| 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 | 58.8 | Low | 68.9 | Low | 193 Ų | 193 | 119.5 Ų | 119.5 | 95% | 0.951 | 61% | 0.605 | S | S | * | * | 0 | -64.6 | 0 | -60.6 | -166.3 | 86.2 | 0 | 0 | 112.2 | W3 T4 V5 | M1-W3 PolarHBondContact O-N 2.89Å; M1-T4 WeakPolarHBondContact CA-OG1 3.41Å; M1-T4 PolarHBondContact N-OG1 3.11Å; M1-T4 PolarHBondContact O-N 3.11Å; M1-T4 PolarHBondContact O-OG1 3.07Å; M1-V5 WeakPolarHBondContact O-CG2 3.5Å; M1-V5 PolarHBondContact O-N 3.25Å | |||
| 2 | F | 67.8 | Low | 67.8 | Low | 194 Ų | 194 | 116.7 Ų | 116.7 | 85% | 0.851 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -56.6 | -48.4 | 177.2 | -95.6 | -81.9 | 0 | 0 | 0 | 113.6 | T4 V5 F6 | F2-T4 VanDerWaalsContact C-N 3.34Å; F2-T4 PolarHBondContact O-N 2.88Å; F2-V5 PolarHBondContact O-N 3.14Å; F2-F6 WeakPolarHBondContact O-CB 3.1Å; F2-F6 PolarHBondContact O-N 2.92Å |
| 3 | W | 66.9 | Low | 66.8 | Low | 209 Ų | 209 | 115.1 Ų | 115.1 | 79% | 0.792 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.7 | -40.3 | 176.6 | -166.2 | -85.7 | 0 | 0 | 0 | 113.3 | M1 F6 V7 | M1-W3 PolarHBondContact O-N 2.89Å; W3-F6 PolarHBondContact O-N 2.96Å; W3-V7 WeakPolarHBondContact O-CB 3.41Å; W3-V7 WeakPolarHBondContact O-CG2 3.34Å; W3-V7 PolarHBondContact O-N 3.38Å |
| 4 | T | 75.7 | Confident | 65.6 | Low | 90 Ų | 90 | 116.6 Ų | 116.6 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.5 | -31.5 | 178.2 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | M1 F2 A8 | M1-T4 WeakPolarHBondContact CA-OG1 3.41Å; M1-T4 PolarHBondContact N-OG1 3.11Å; M1-T4 PolarHBondContact O-N 3.11Å; M1-T4 PolarHBondContact O-OG1 3.07Å; F2-T4 VanDerWaalsContact C-N 3.34Å; F2-T4 PolarHBondContact O-N 2.88Å; T4-A8 WeakPolarHBondContact O-CB 3.48Å; T4-A8 PolarHBondContact O-N 3.45Å |
| 5 | V | 78.3 | Confident | 64.8 | Low | 87 Ų | 87 | 114.3 Ų | 114.3 | 53% | 0.527 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.9 | -41.8 | 170.7 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | M1 F2 A8 V9 | M1-V5 WeakPolarHBondContact O-CG2 3.5Å; M1-V5 PolarHBondContact O-N 3.25Å; F2-V5 PolarHBondContact O-N 3.14Å; V5-A8 PolarHBondContact O-N 2.98Å; V5-V9 HydrophobicContact CG1-CG2 4.32Å; V5-V9 WeakPolarHBondContact O-CB 3.33Å; V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.5Å; V5-V9 PolarHBondContact O-N 3Å |
| 6 | F | 75.6 | Confident | 64.2 | Low | 138 Ų | 138 | 112.3 Ų | 112.3 | 61% | 0.605 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65 | -41.3 | 178.6 | -158.8 | -100.9 | 0 | 0 | 0 | 111.9 | F2 W3 V9 L10 | F2-F6 WeakPolarHBondContact O-CB 3.1Å; F2-F6 PolarHBondContact O-N 2.92Å; W3-F6 PolarHBondContact O-N 2.96Å; F6-V9 PolarHBondContact O-N 3.06Å; F6-L10 HydrophobicContact CD1-CD1 3.71Å; F6-L10 HydrophobicContact CD1-CG 4.37Å; F6-L10 HydrophobicContact CE1-CD1 3.75Å; F6-L10 HydrophobicContact CE1-CG 4.35Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 WeakPolarHBondContact O-CG 3.48Å; F6-L10 PolarHBondContact O-N 3.15Å |
| 7 | V | 75.3 | Confident | 64.2 | Low | 61 Ų | 61 | 111.6 Ų | 111.6 | 37% | 0.37 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.5 | -44.5 | 170.8 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | W3 V9 L10 M11 | W3-V7 WeakPolarHBondContact O-CB 3.41Å; W3-V7 WeakPolarHBondContact O-CG2 3.34Å; W3-V7 PolarHBondContact O-N 3.38Å; V7-V9 VanDerWaalsContact C-N 3.3Å; V7-V9 PolarHBondContact O-N 2.9Å; V7-L10 PolarHBondContact O-N 3.03Å; V7-M11 HydrophobicContact CG1-CG 4.18Å; V7-M11 VanDerWaalsContact O-CG 3.25Å; V7-M11 WeakPolarHBondContact O-CG 3.47Å; V7-M11 PolarHBondContact O-N 3.01Å |
| 8 | A | 69.9 | Low | 64.8 | Low | 60 Ų | 60 | 107.5 Ų | 107.5 | 50% | 0.496 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.4 | -36.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T4 V5 A12 | T4-A8 WeakPolarHBondContact O-CB 3.48Å; T4-A8 PolarHBondContact O-N 3.45Å; V5-A8 PolarHBondContact O-N 2.98Å; A8-A12 VanDerWaalsContact O-CB 3.26Å; A8-A12 WeakPolarHBondContact O-CB 3.45Å; A8-A12 PolarHBondContact O-N 2.9Å |
| 9 | V | 68.2 | Low | 66 | Low | 81 Ų | 81 | 101.9 Ų | 101.9 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.9 | -43 | 172.7 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | V5 F6 V7 M11 A12 T13 | V5-V9 HydrophobicContact CG1-CG2 4.32Å; V5-V9 WeakPolarHBondContact O-CB 3.33Å; V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.5Å; V5-V9 PolarHBondContact O-N 3Å; F6-V9 PolarHBondContact O-N 3.06Å; V7-V9 VanDerWaalsContact C-N 3.3Å; V7-V9 PolarHBondContact O-N 2.9Å; V9-M11 PolarHBondContact O-N 3.05Å; V9-A12 CarbonylContact O-C 3.44Å; V9-A12 PolarHBondContact O-N 2.84Å; V9-A12 VanDerWaalsContact O-N 3.17Å; V9-T13 WeakPolarHBondContact O-CG2 3.28Å; V9-T13 PolarHBondContact O-N 2.93Å; V9-T13 PolarHBondContact O-OG1 3.05Å |
| 10 | L | 62 | Low | 67.1 | Low | 91 Ų | 91 | 102.2 Ų | 102.2 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.8 | -43.8 | 175.8 | -79.1 | 168.6 | 0 | 0 | 0 | 112.2 | F6 V7 A12 T13 E14 | F6-L10 HydrophobicContact CD1-CD1 3.71Å; F6-L10 HydrophobicContact CD1-CG 4.37Å; F6-L10 HydrophobicContact CE1-CD1 3.75Å; F6-L10 HydrophobicContact CE1-CG 4.35Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 WeakPolarHBondContact O-CG 3.48Å; F6-L10 PolarHBondContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 3.03Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-T13 WeakPolarHBondContact CA-OG1 3.28Å; L10-T13 CarbonylContact O-C 3.3Å; L10-T13 VanDerWaalsContact O-C 3.3Å; L10-T13 WeakPolarHBondContact O-CA 3.39Å; L10-T13 PolarHBondContact O-N 2.71Å; L10-T13 PolarHBondContact O-OG1 3.31Å; L10-E14 PolarHBondContact O-N 3.37Å; L10-E14 VanDerWaalsContact O-N 3.12Å |
| 11 | M | 59.8 | Low | 68.3 | Low | 110 Ų | 110 | 97.4 Ų | 97.4 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.7 | -33.2 | 174.5 | -59.5 | -63.9 | -69.5 | 0 | 0 | 111.8 | V7 V9 T13 E14 | V7-M11 HydrophobicContact CG1-CG 4.18Å; V7-M11 VanDerWaalsContact O-CG 3.25Å; V7-M11 WeakPolarHBondContact O-CG 3.47Å; V7-M11 PolarHBondContact O-N 3.01Å; V9-M11 PolarHBondContact O-N 3.05Å; M11-T13 PolarHBondContact O-N 3.4Å; M11-E14 WeakPolarHBondContact O-CB 3.47Å; M11-E14 PolarHBondContact O-N 2.73Å |
| 12 | A | 55.7 | Low | 69.8 | Low | 86 Ų | 86 | 90.8 Ų | 90.8 | 71% | 0.711 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73 | -10.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A8 V9 L10 | A8-A12 VanDerWaalsContact O-CB 3.26Å; A8-A12 WeakPolarHBondContact O-CB 3.45Å; A8-A12 PolarHBondContact O-N 2.9Å; V9-A12 CarbonylContact O-C 3.44Å; V9-A12 PolarHBondContact O-N 2.84Å; V9-A12 VanDerWaalsContact O-N 3.17Å; L10-A12 VanDerWaalsContact C-N 3.35Å |
| 13 | T | 54.3 | Low | 71 | Confident | 96 Ų | 96 | 82.3 Ų | 82.3 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 11.7 | 168.5 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | V9 L10 M11 S15 | V9-T13 WeakPolarHBondContact O-CG2 3.28Å; V9-T13 PolarHBondContact O-N 2.93Å; V9-T13 PolarHBondContact O-OG1 3.05Å; L10-T13 WeakPolarHBondContact CA-OG1 3.28Å; L10-T13 CarbonylContact O-C 3.3Å; L10-T13 VanDerWaalsContact O-C 3.3Å; L10-T13 WeakPolarHBondContact O-CA 3.39Å; L10-T13 PolarHBondContact O-N 2.71Å; L10-T13 PolarHBondContact O-OG1 3.31Å; M11-T13 PolarHBondContact O-N 3.4Å; T13-S15 PolarHBondContact O-N 3.32Å |
| 14 | E | 49.6 | Very low | 72.1 | Confident | 136 Ų | 136 | 76.5 Ų | 76.5 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -60.6 | 112.7 | 156.3 | -74.2 | -168.8 | 133.4 | 0 | 0 | 106.8 | L10 M11 A16 | L10-E14 PolarHBondContact O-N 3.37Å; L10-E14 VanDerWaalsContact O-N 3.12Å; M11-E14 WeakPolarHBondContact O-CB 3.47Å; M11-E14 PolarHBondContact O-N 2.73Å; E14-A16 PolarHBondContact O-N 3.31Å |
| 15 | S | 53.5 | Low | 72.8 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 58% | 0.58 | 45% | 0.447 | S | S | * | . | trans | -53 | 124.7 | -170.9 | 51.4 | 0 | 0 | 0 | 0 | 110.7 | T13 L17 | T13-S15 PolarHBondContact O-N 3.32Å; S15-L17 PolarHBondContact O-N 3.34Å; S15-L17 VanDerWaalsContact O-N 3.08Å | ||
| 16 | A | 55.3 | Low | 73.3 | Confident | 82 Ų | 82 | 78.5 Ų | 78.5 | 68% | 0.678 | 46% | 0.456 | S | S | * | . | trans | -50.4 | 119.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110 | E14 A18 | E14-A16 PolarHBondContact O-N 3.31Å; A16-A18 HydrophobicContact CB-CB 4.44Å; A16-A18 PolarHBondContact O-N 2.96Å | ||
| 17 | L | 64.2 | Low | 74 | Confident | 101 Ų | 101 | 78.8 Ų | 78.8 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | trans | -76 | 57.3 | -177 | -61.3 | 175.4 | 0 | 0 | 0 | 110.7 | S15 S45 S149 | S15-L17 PolarHBondContact O-N 3.34Å; S15-L17 VanDerWaalsContact O-N 3.08Å; L17-S45 WeakPolarHBondContact CD2-OG 3.46Å; L17-S149 PolarHBondContact O-OG 3.38Å | ||
| 18 | A | 74.9 | Confident | 74.7 | Confident | 37 Ų | 37 | 77.2 Ų | 77.2 | 31% | 0.306 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A16 S149 | A16-A18 HydrophobicContact CB-CB 4.44Å; A16-A18 PolarHBondContact O-N 2.96Å; A18-S149 CarbonylContact C-O 3.55Å; A18-S149 VanDerWaalsContact CA-O 3.29Å; A18-S149 WeakPolarHBondContact CA-O 3.45Å; A18-S149 WeakPolarHBondContact CA-OG 3.38Å |
| 19 | I | 87.8 | Confident | 75.6 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.005 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.8 | 167.9 | -171.9 | 155.8 | 0 | 0 | 0 | 108.8 | T43 V142 D147 S149 G150 N151 N152 | I19-T43 WeakPolarHBondContact CA-O 3.35Å; I19-V142 HydrophobicContact CD1-CB 4.04Å; I19-V142 HydrophobicContact CD1-CG1 3.76Å; I19-D147 HydrophobicContact CB-CB 4.13Å; I19-D147 WeakPolarHBondContact CG2-O 3.31Å; I19-S149 WeakPolarHBondContact CG2-O 3.22Å; I19-S149 PolarHBondContact N-O 2.64Å; I19-G150 CarbonylContact O-C 3.32Å; I19-G150 WeakPolarHBondContact O-CA 2.9Å; I19-N151 CarbonylContact O-C 3.52Å; I19-N151 PolarHBondContact O-N 2.73Å; I19-N152 HydrophobicContact CG2-CB 3.82Å |
| 20 | E | 89.3 | Confident | 76.6 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122.8 | 173.7 | -169.9 | 179.8 | -174.5 | 0 | 0 | 109.7 | T22 Y42 T43 | E20-T22 HydrophobicContact CG-CG2 4.17Å; E20-Y42 VanDerWaalsContact O-CA 3.24Å; E20-Y42 WeakPolarHBondContact O-CA 3.33Å; E20-T43 PolarHBondContact N-O 2.69Å; E20-T43 VanDerWaalsContact N-O 3.17Å; E20-T43 PolarHBondContact O-N 2.86Å |
| 21 | V | 91.3 | Very high | 77.9 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.006 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.4 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | C40 C140 V142 N151 N152 K154 | V21-C40 VanDerWaalsContact CG1-SG 3.57Å; V21-C140 HydrophobicContact CG1-CB 4.31Å; V21-V142 HydrophobicContact CG1-CG2 4.3Å; V21-V142 HydrophobicContact CG2-CB 3.76Å; V21-V142 HydrophobicContact CG2-CG2 3.66Å; V21-N151 PolarHBondContact N-O 2.88Å; V21-N152 WeakPolarHBondContact CG2-O 3.24Å; V21-K154 HydrophobicContact CB-CB 4.4Å; V21-K154 HydrophobicContact CG1-CB 3.9Å |
| 22 | T | 90.8 | Very high | 79.3 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 33% | 0.331 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.8 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 110.4 | E20 E41 | E20-T22 HydrophobicContact CG-CG2 4.17Å; T22-E41 PolarHBondContact N-O 3.48Å; T22-E41 PolarHBondContact O-N 3.14Å; T22-E41 VanDerWaalsContact O-O 3.09Å |
| 23 | C | 92.2 | Very high | 80.8 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | trans | -120.4 | 113.6 | 170.7 | -63.1 | 0 | 0 | 0 | 0 | 107.2 | T25 K154 T156 | C23-T25 VanDerWaalsContact C-N 3.34Å; C23-T25 PolarHBondContact O-N 3.03Å; C23-K154 HydrophobicContact CB-CG 4.18Å; C23-T156 HydrophobicContact CB-CG2 3.43Å; C23-T156 VanDerWaalsContact CB-CG2 3.43Å | ||
| 24 | P | 90.6 | Very high | 82.5 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -67.5 | -37.2 | -174.3 | 25.2 | -33.1 | 0 | 0 | 0 | 111.8 | N39 | P24-N39 HydrophobicContact CG-CB 3.88Š|
| 25 | T | 91 | Very high | 84.5 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 33% | 0.331 | 38% | 0.38 | S | S | . | . | trans | -103.1 | 111.4 | 179.9 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | C23 R27 Y28 T156 | C23-T25 VanDerWaalsContact C-N 3.34Å; C23-T25 PolarHBondContact O-N 3.03Å; T25-R27 WeakPolarHBondContact CG2-O 3.43Å; T25-Y28 WeakPolarHBondContact CB-OH 3.47Å; T25-Y28 HydrophobicContact CG2-CD1 4.24Å; T25-Y28 HydrophobicContact CG2-CD2 3.88Å; T25-Y28 HydrophobicContact CG2-CE1 3.97Å; T25-Y28 HydrophobicContact CG2-CE2 3.57Å; T25-Y28 HydrophobicContact CG2-CG 4.21Å; T25-T156 VanDerWaalsContact O-CG2 3.31Å; T25-T156 WeakPolarHBondContact O-CG2 3.48Å | ||
| 26 | K | 88.3 | Confident | 86.4 | Confident | 166 Ų | 166 | 66.4 Ų | 66.4 | 72% | 0.722 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -72.8 | -30.3 | -179.5 | -65.6 | -175.4 | -178.6 | 179.2 | 0 | 114.1 | T156 E157 | K26-T156 CarbonylContact O-C 3.6Å; K26-T156 WeakPolarHBondContact O-CA 3.41Å; K26-E157 PolarHBondContact O-N 3.28Å |
| 27 | R | 89.3 | Confident | 88.3 | Confident | 143 Ų | 143 | 64.7 Ų | 64.7 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 128.6 | -175.6 | 178.1 | 179.3 | -69.4 | 166.6 | 1.4 | 110.6 | T25 V29 E157 I159 | T25-R27 WeakPolarHBondContact CG2-O 3.43Å; R27-V29 HydrophobicContact CG-CG2 4.19Å; R27-E157 CarbonylContact C-O 3.6Å; R27-E157 WeakPolarHBondContact CA-O 3.38Å; R27-E157 HydrophobicContact CB-CB 4.3Å; R27-E157 HydrophobicContact CG-CB 4.28Å; R27-E157 IonicContact CZ-OE2 2.96Å; R27-E157 IonicContact NE-OE2 3.61Å; R27-E157 PolarHBondContact NE-OE2 3.33Å; R27-E157 IonicContact NH2-OE1 3.96Å; R27-E157 IonicContact NH2-OE2 3.57Å; R27-E157 PolarHBondContact NH2-OE2 2.87Å; R27-I159 HydrophobicContact CG-CD1 4.35Å |
| 28 | Y | 89.9 | Confident | 89.8 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 11% | 0.114 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.5 | 171 | -67.6 | -99.1 | 0 | 0 | 0 | 108.8 | T25 V36 T37 L38 N39 T156 E157 I159 | T25-Y28 WeakPolarHBondContact CB-OH 3.47Å; T25-Y28 HydrophobicContact CG2-CD1 4.24Å; T25-Y28 HydrophobicContact CG2-CD2 3.88Å; T25-Y28 HydrophobicContact CG2-CE1 3.97Å; T25-Y28 HydrophobicContact CG2-CE2 3.57Å; T25-Y28 HydrophobicContact CG2-CG 4.21Å; Y28-V36 HydrophobicContact CD1-CG2 3.88Å; Y28-V36 HydrophobicContact CG-CG2 4.31Å; Y28-T37 WeakPolarHBondContact CE1-O 3.44Å; Y28-T37 PolarHBondContact OH-O 3.28Å; Y28-L38 HydrophobicContact CD1-CD2 4.19Å; Y28-L38 HydrophobicContact CD2-CD2 3.46Å; Y28-L38 VanDerWaalsContact CD2-CD2 3.46Å; Y28-L38 HydrophobicContact CE1-CD2 4.46Å; Y28-L38 HydrophobicContact CE2-CB 4.41Å; Y28-L38 HydrophobicContact CE2-CD2 3.78Å; Y28-L38 HydrophobicContact CG-CD2 3.68Å; Y28-N39 WeakPolarHBondContact OH-CB 3.36Å; Y28-N39 PolarHBondContact OH-N 3.41Å; Y28-N39 PolarHBondContact OH-OD1 3.1Å; Y28-T156 HydrophobicContact CE2-CG2 4.47Å; Y28-E157 PolarHBondContact N-O 3.47Å; Y28-I159 PolarHBondContact O-N 2.8Å |
| 29 | V | 89.4 | Confident | 90.7 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.1 | 174 | -176.9 | 0 | 0 | 0 | 0 | 107 | R27 I159 L161 | R27-V29 HydrophobicContact CG-CG2 4.19Å; V29-I159 WeakPolarHBondContact CA-O 3.26Å; V29-I159 HydrophobicContact CG2-CB 4.44Å; V29-L161 HydrophobicContact CG1-CD1 3.44Å; V29-L161 VanDerWaalsContact CG1-CD1 3.44Å; V29-L161 HydrophobicContact CG1-CG 3.91Å |
| 30 | V | 90.2 | Very high | 91 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 152.6 | -173.9 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | Q34 V36 A130 L158 I159 V160 L161 | V30-Q34 HydrophobicContact CB-CB 4.46Å; V30-V36 HydrophobicContact CG1-CB 4Å; V30-V36 HydrophobicContact CG1-CG2 3.79Å; V30-A130 HydrophobicContact CG2-CB 4.07Å; V30-L158 HydrophobicContact CG1-CD1 4.4Å; V30-L158 HydrophobicContact CG2-CD1 3.79Å; V30-I159 PolarHBondContact N-O 3.22Å; V30-V160 HydrophobicContact CG2-CG2 4.18Å; V30-V160 CarbonylContact O-C 3.56Å; V30-V160 WeakPolarHBondContact O-CA 3.22Å; V30-L161 PolarHBondContact O-N 2.84Å |
| 31 | M | 88.3 | Confident | 91.1 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 156.2 | 171.3 | -71.8 | 176.2 | -85.1 | 0 | 0 | 111.3 | F33 Q34 R163 | M31-F33 PolarHBondContact O-N 3Å; M31-Q34 HydrophobicContact CB-CB 4.46Å; M31-Q34 WeakPolarHBondContact O-CB 3.45Å; M31-Q34 PolarHBondContact O-N 2.93Å; M31-Q34 VanDerWaalsContact O-N 3.12Å; M31-R163 PolarHBondContact SD-NH2 2.82Å |
| 32 | L | 89 | Confident | 91.1 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 137.8 | 168.6 | -171 | 73.7 | 0 | 0 | 0 | 112 | Q34 W132 V160 L161 | L32-Q34 PolarHBondContact O-N 3.11Å; L32-W132 HydrophobicContact CD1-CB 4.49Å; L32-W132 HydrophobicContact CD1-CD2 4.24Å; L32-W132 HydrophobicContact CD1-CG 3.77Å; L32-W132 VanDerWaalsContact CD2-NE1 3.3Å; L32-V160 HydrophobicContact CD1-CG1 4.29Å; L32-L161 PolarHBondContact N-O 3.01Å; L32-L161 VanDerWaalsContact N-O 3.07Å |
| 33 | F | 88.4 | Confident | 91 | Very high | 138 Ų | 138 | 64 Ų | 64 | 61% | 0.605 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 9.6 | -175.1 | -53.4 | -64.3 | 0 | 0 | 0 | 116 | M31 A130 | M31-F33 PolarHBondContact O-N 3Å; F33-A130 PolarHBondContact N-O 2.73Å |
| 34 | Q | 90 | Very high | 90.6 | Very high | 76 Ų | 76 | 65.5 Ų | 65.5 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | trans | -80.6 | 140.6 | 173.3 | -166.3 | 175.3 | -3.9 | 0 | 0 | 110.8 | V30 M31 L32 A130 | V30-Q34 HydrophobicContact CB-CB 4.46Å; M31-Q34 HydrophobicContact CB-CB 4.46Å; M31-Q34 WeakPolarHBondContact O-CB 3.45Å; M31-Q34 PolarHBondContact O-N 2.93Å; M31-Q34 VanDerWaalsContact O-N 3.12Å; L32-Q34 PolarHBondContact O-N 3.11Å; Q34-A130 VanDerWaalsContact O-CB 3.23Å; Q34-A130 WeakPolarHBondContact O-CB 3.36Å; Q34-A130 PolarHBondContact O-N 3.42Å; Q34-A130 VanDerWaalsContact O-N 3.16Å | ||
| 35 | P | 91.8 | Very high | 90.2 | Very high | 88 Ų | 88 | 63.7 Ų | 63.7 | 57% | 0.571 | 32% | 0.324 | S | S | * | . | trans | -70.3 | 140.8 | 169.3 | 27.7 | -34 | 0 | 0 | 0 | 111.4 | I127 S128 | P35-I127 WeakPolarHBondContact CA-O 3.37Å; P35-S128 WeakPolarHBondContact CA-O 3.46Å; P35-S128 WeakPolarHBondContact CB-O 3.18Å | ||
| 36 | V | 93.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.7 | 175.5 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | Y28 V30 L38 I127 L158 | Y28-V36 HydrophobicContact CD1-CG2 3.88Å; Y28-V36 HydrophobicContact CG-CG2 4.31Å; V30-V36 HydrophobicContact CG1-CB 4Å; V30-V36 HydrophobicContact CG1-CG2 3.79Å; V36-L38 HydrophobicContact CG2-CD2 4.02Å; V36-I127 HydrophobicContact CG1-CB 3.87Å; V36-I127 HydrophobicContact CG1-CD1 4.24Å; V36-I127 HydrophobicContact CG1-CG1 4.45Å; V36-I127 PolarHBondContact N-O 2.88Å; V36-I127 PolarHBondContact O-N 3.07Å; V36-I127 VanDerWaalsContact O-O 3.08Å; V36-L158 HydrophobicContact CG1-CD1 4.21Å; V36-L158 HydrophobicContact CG1-CD2 4.22Å; V36-L158 HydrophobicContact CG2-CD1 4.14Å |
| 37 | T | 94.6 | Very high | 89.3 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 117.9 | 170.1 | -58.1 | 0 | 0 | 0 | 0 | 108.3 | Y28 D124 L125 | Y28-T37 WeakPolarHBondContact CE1-O 3.44Å; Y28-T37 PolarHBondContact OH-O 3.28Å; T37-D124 HydrophobicContact CG2-CB 3.92Å; T37-L125 CarbonylContact C-O 3.51Å; T37-L125 WeakPolarHBondContact CA-O 3.32Å |
| 38 | L | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 112.4 | 176.6 | -49.9 | -175.7 | 0 | 0 | 0 | 108.1 | Y28 V36 W54 D124 L125 Y138 L158 | Y28-L38 HydrophobicContact CD1-CD2 4.19Å; Y28-L38 HydrophobicContact CD2-CD2 3.46Å; Y28-L38 VanDerWaalsContact CD2-CD2 3.46Å; Y28-L38 HydrophobicContact CE1-CD2 4.46Å; Y28-L38 HydrophobicContact CE2-CB 4.41Å; Y28-L38 HydrophobicContact CE2-CD2 3.78Å; Y28-L38 HydrophobicContact CG-CD2 3.68Å; V36-L38 HydrophobicContact CG2-CD2 4.02Å; L38-W54 HydrophobicContact CB-CH2 3.82Å; L38-W54 HydrophobicContact CB-CZ2 4.37Å; L38-W54 HydrophobicContact CB-CZ3 4.35Å; L38-W54 HydrophobicContact CD1-CZ3 4.35Å; L38-D124 WeakPolarHBondContact O-CA 3.27Å; L38-L125 HydrophobicContact CB-CB 4.33Å; L38-L125 HydrophobicContact CD1-CD2 4.16Å; L38-L125 PolarHBondContact N-O 3.5Å; L38-L125 PolarHBondContact O-N 3.24Å; L38-Y138 HydrophobicContact CD1-CD1 3.64Å; L38-Y138 HydrophobicContact CD1-CD2 3.87Å; L38-Y138 HydrophobicContact CD1-CE1 4.24Å; L38-Y138 HydrophobicContact CD1-CE2 4.46Å; L38-Y138 HydrophobicContact CD1-CG 3.42Å; L38-Y138 VanDerWaalsContact CD1-CG 3.42Å; L38-L158 HydrophobicContact CD2-CD1 4.34Å |
| 39 | N | 94.2 | Very high | 88.8 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | trans | -76.6 | 130.2 | -175.6 | -67.6 | 95 | 0 | 0 | 0 | 111.1 | P24 Y28 D124 | P24-N39 HydrophobicContact CG-CB 3.88Å; Y28-N39 WeakPolarHBondContact OH-CB 3.36Å; Y28-N39 PolarHBondContact OH-N 3.41Å; Y28-N39 PolarHBondContact OH-OD1 3.1Å; N39-D124 VanDerWaalsContact CA-OD1 3.22Å; N39-D124 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 40 | C | 93.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | trans | -137.3 | 119.3 | 171.6 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | V21 W54 A123 D124 C140 | V21-C40 VanDerWaalsContact CG1-SG 3.57Å; C40-W54 HydrophobicContact CB-CH2 3.95Å; C40-W54 HydrophobicContact CB-CZ2 3.45Å; C40-W54 VanDerWaalsContact CB-CZ2 3.45Å; C40-A123 HydrophobicContact CB-CB 3.92Å; C40-A123 WeakPolarHBondContact O-CB 3.37Å; C40-D124 PolarHBondContact N-OD1 2.8Å; C40-C140 HydrophobicContact CB-CB 3.74Å; C40-C140 WeakPolarHBondContact CB-SG 3.5Å; C40-C140 WeakPolarHBondContact SG-CB 3.35Å; C40-C140 CovalentContact SG-SG 2.04Å; C40-C140 PolarHBondContact SG-SG 3Å | ||
| 41 | E | 92.9 | Very high | 89 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 149.2 | 172.8 | -66.5 | -174.5 | -169.1 | 0 | 0 | 109.2 | T22 | T22-E41 PolarHBondContact N-O 3.48Å; T22-E41 PolarHBondContact O-N 3.14Å; T22-E41 VanDerWaalsContact O-O 3.09Å |
| 42 | Y | 90.4 | Very high | 89.2 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.4 | 171.8 | 66.6 | -95.8 | 0 | 0 | 0 | 110.8 | E20 T44 P50 V52 K122 A123 V142 | E20-Y42 VanDerWaalsContact O-CA 3.24Å; E20-Y42 WeakPolarHBondContact O-CA 3.33Å; Y42-T44 HydrophobicContact CD2-CG2 4Å; Y42-T44 HydrophobicContact CE2-CG2 3.89Å; Y42-P50 HydrophobicContact CD2-CG 4.2Å; Y42-P50 HydrophobicContact CE2-CG 3.43Å; Y42-P50 VanDerWaalsContact CE2-CG 3.43Å; Y42-V52 HydrophobicContact CD1-CG2 4.35Å; Y42-V52 HydrophobicContact CE1-CG2 3.74Å; Y42-K122 HydrophobicContact CD1-CB 4.44Å; Y42-K122 HydrophobicContact CE1-CB 3.8Å; Y42-A123 HydrophobicContact CD1-CB 3.87Å; Y42-A123 HydrophobicContact CE1-CB 3.92Å; Y42-V142 HydrophobicContact CD1-CG1 4.15Å; Y42-V142 HydrophobicContact CD1-CG2 4.05Å; Y42-V142 HydrophobicContact CD2-CG1 4.24Å; Y42-V142 HydrophobicContact CE1-CG1 4.4Å; Y42-V142 HydrophobicContact CG-CG1 4.06Å; Y42-V142 HydrophobicContact CG-CG2 4.3Å |
| 43 | T | 87.9 | Confident | 89.5 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.8 | 169.4 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | I19 E20 | I19-T43 WeakPolarHBondContact CA-O 3.35Å; E20-T43 PolarHBondContact N-O 2.69Å; E20-T43 VanDerWaalsContact N-O 3.17Å; E20-T43 PolarHBondContact O-N 2.86Å |
| 44 | T | 85.6 | Confident | 89.8 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 29% | 0.288 | 28% | 0.281 | S | S | . | . | trans | -158.2 | 142.7 | -178.2 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | Y42 A46 P50 D147 | Y42-T44 HydrophobicContact CD2-CG2 4Å; Y42-T44 HydrophobicContact CE2-CG2 3.89Å; T44-A46 VanDerWaalsContact C-N 3.32Å; T44-A46 HydrophobicContact CG2-CB 4.43Å; T44-A46 VanDerWaalsContact OG1-CB 3.23Å; T44-A46 WeakPolarHBondContact OG1-CB 3.43Å; T44-A46 PolarHBondContact OG1-N 3.01Å; T44-P50 HydrophobicContact CG2-CG 4.31Å; T44-D147 WeakPolarHBondContact CA-OD2 3.43Å; T44-D147 WeakPolarHBondContact CB-OD2 3.37Å; T44-D147 PolarHBondContact OG1-OD2 3.08Å | ||
| 45 | S | 81.5 | Confident | 90 | Very high | 48 Ų | 48 | 48 Ų | 48 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | trans | -82.4 | -7.8 | 169.2 | 41.1 | 0 | 0 | 0 | 0 | 113.4 | L17 D147 | L17-S45 WeakPolarHBondContact CD2-OG 3.46Å; S45-D147 WeakPolarHBondContact CA-OD2 3.46Å; S45-D147 PolarHBondContact N-OD2 2.93Å; S45-D147 VanDerWaalsContact OG-CG 3.23Å; S45-D147 PolarHBondContact OG-OD1 2.87Å; S45-D147 PolarHBondContact OG-OD2 2.87Å | ||
| 46 | A | 79.9 | Confident | 90 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | trans | -62.3 | 133.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T44 S144 T146 D147 | T44-A46 VanDerWaalsContact C-N 3.32Å; T44-A46 HydrophobicContact CG2-CB 4.43Å; T44-A46 VanDerWaalsContact OG1-CB 3.23Å; T44-A46 WeakPolarHBondContact OG1-CB 3.43Å; T44-A46 PolarHBondContact OG1-N 3.01Å; A46-S144 WeakPolarHBondContact CB-OG 3.4Å; A46-T146 WeakPolarHBondContact CA-OG1 3.31Å; A46-T146 WeakPolarHBondContact CB-OG1 3.38Å; A46-D147 PolarHBondContact N-OD2 2.87Å | ||
| 47 | T | 79.6 | Confident | 89.8 | Confident | 138 Ų | 138 | 45.1 Ų | 45.1 | 85% | 0.847 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -81.7 | -19.1 | 173.3 | 53 | 0 | 0 | 0 | 0 | 113.3 | ||
| 48 | V | 84.9 | Confident | 89.5 | Confident | 77 Ų | 77 | 43.9 Ų | 43.9 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -93.5 | 132.9 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | ||
| 49 | P | 85.4 | Confident | 88.9 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 127 | 178.6 | 24.8 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 50 | P | 90.2 | Very high | 88 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 7% | 0.071 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 160.8 | -177.5 | 32.3 | -37.1 | 0 | 0 | 0 | 112.1 | Y42 T44 V142 V143 | Y42-P50 HydrophobicContact CD2-CG 4.2Å; Y42-P50 HydrophobicContact CE2-CG 3.43Å; Y42-P50 VanDerWaalsContact CE2-CG 3.43Å; T44-P50 HydrophobicContact CG2-CG 4.31Å; P50-V142 HydrophobicContact CB-CG1 3.84Å; P50-V142 HydrophobicContact CG-CG1 3.87Å; P50-V143 WeakPolarHBondContact CA-O 3.47Å; P50-V143 WeakPolarHBondContact CB-O 3.45Å |
| 51 | I | 92.1 | Very high | 86.9 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.7 | 178.3 | -58.4 | 176.3 | 0 | 0 | 0 | 109 | V100 K101 N102 V142 V143 | I51-V100 HydrophobicContact CG2-CG1 3.48Å; I51-V100 VanDerWaalsContact CG2-CG1 3.48Å; I51-K101 WeakPolarHBondContact CA-O 3.33Å; I51-N102 HydrophobicContact CG1-CB 4.43Å; I51-V142 WeakPolarHBondContact O-CA 3.49Å; I51-V143 PolarHBondContact N-O 3.05Å; I51-V143 PolarHBondContact O-N 3.02Å |
| 52 | V | 93.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.4 | 174.6 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | Y42 V100 K101 I119 A123 V142 | Y42-V52 HydrophobicContact CD1-CG2 4.35Å; Y42-V52 HydrophobicContact CE1-CG2 3.74Å; V52-V100 CarbonylContact O-C 3.55Å; V52-V100 WeakPolarHBondContact O-CA 3.22Å; V52-K101 HydrophobicContact CB-CB 4.3Å; V52-K101 PolarHBondContact N-O 2.83Å; V52-K101 PolarHBondContact O-N 3.44Å; V52-I119 HydrophobicContact CG1-CG2 4.49Å; V52-A123 HydrophobicContact CB-CB 4.32Å; V52-A123 HydrophobicContact CG1-CB 3.52Å; V52-A123 HydrophobicContact CG2-CB 3.83Å; V52-V142 HydrophobicContact CG1-CG2 4.45Å; V52-V142 HydrophobicContact CG2-CG1 4.07Å; V52-V142 HydrophobicContact CG2-CG2 4.18Å |
| 53 | T | 94.4 | Very high | 84.6 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.2 | 177.8 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | K55 T97 V100 T141 | T53-K55 HydrophobicContact CG2-CG 4.07Å; T53-T97 HydrophobicContact CG2-CG2 4Å; T53-V100 HydrophobicContact CG2-CG2 4.03Å; T53-T141 PolarHBondContact N-O 3.38Å; T53-T141 PolarHBondContact O-N 3.45Å; T53-T141 PolarHBondContact O-OG1 3.4Å |
| 54 | W | 94.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.7 | 172.8 | -80.3 | 96.6 | 0 | 0 | 0 | 111.3 | L38 C40 V98 G99 A123 L125 F139 C140 | L38-W54 HydrophobicContact CB-CH2 3.82Å; L38-W54 HydrophobicContact CB-CZ2 4.37Å; L38-W54 HydrophobicContact CB-CZ3 4.35Å; L38-W54 HydrophobicContact CD1-CZ3 4.35Å; C40-W54 HydrophobicContact CB-CH2 3.95Å; C40-W54 HydrophobicContact CB-CZ2 3.45Å; C40-W54 VanDerWaalsContact CB-CZ2 3.45Å; W54-V98 HydrophobicContact CB-CB 4.2Å; W54-V98 PolarHBondContact O-N 3.24Å; W54-G99 PolarHBondContact N-O 2.97Å; W54-A123 WeakPolarHBondContact CZ2-O 3.34Å; W54-A123 PolarHBondContact NE1-O 2.98Å; W54-L125 HydrophobicContact CB-CD1 4.48Å; W54-L125 HydrophobicContact CB-CD2 4.37Å; W54-L125 HydrophobicContact CD2-CB 3.91Å; W54-L125 HydrophobicContact CD2-CD2 4.1Å; W54-L125 HydrophobicContact CD2-CG 4.5Å; W54-L125 HydrophobicContact CE3-CD2 4.28Å; W54-L125 HydrophobicContact CG-CB 4.15Å; W54-L125 HydrophobicContact CG-CD1 4.25Å; W54-L125 HydrophobicContact CG-CD2 4.17Å; W54-L125 HydrophobicContact CG-CG 4.44Å; W54-L125 HydrophobicContact CH2-CB 4.5Å; W54-L125 HydrophobicContact CZ2-CB 3.85Å; W54-F139 WeakPolarHBondContact CA-O 3.47Å; W54-C140 HydrophobicContact CD2-CB 4.19Å; W54-C140 HydrophobicContact CE3-CB 4.07Å; W54-C140 HydrophobicContact CH2-CB 3.75Å; W54-C140 HydrophobicContact CZ2-CB 3.84Å; W54-C140 HydrophobicContact CZ3-CB 3.84Å |
| 55 | K | 93.2 | Very high | 82.5 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.7 | 179.3 | -56.2 | 169.1 | -170.4 | 155.8 | 0 | 109.3 | T53 R96 F139 T141 | T53-K55 HydrophobicContact CG2-CG 4.07Å; K55-R96 CarbonylContact C-O 3.54Å; K55-F139 HydrophobicContact CB-CB 4.35Å; K55-F139 PolarHBondContact N-O 2.84Å; K55-F139 PolarHBondContact O-N 2.9Å; K55-T141 HydrophobicContact CD-CG2 4.16Å; K55-T141 VanDerWaalsContact CE-OG1 3.26Å; K55-T141 WeakPolarHBondContact CE-OG1 3.2Å; K55-T141 PolarHBondContact NZ-OG1 2.92Å; K55-T141 VanDerWaalsContact NZ-OG1 3.16Å |
| 56 | Y | 92.2 | Very high | 81.8 | Confident | 11 Ų | 11 | 49 Ų | 49 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 136.4 | 168.1 | 170.5 | -98.6 | 0 | 0 | 0 | 109.7 | I95 R96 G133 S135 Y138 | Y56-I95 WeakPolarHBondContact O-CA 3.28Å; Y56-R96 HydrophobicContact CD1-CB 4.28Å; Y56-R96 HydrophobicContact CD1-CG 4.28Å; Y56-R96 PolarHBondContact N-O 2.77Å; Y56-R96 PolarHBondContact O-N 2.82Å; Y56-G133 PolarHBondContact OH-O 2.91Å; Y56-S135 PolarHBondContact OH-O 3.39Å; Y56-Y138 HydrophobicContact CD2-CD2 4.15Å; Y56-Y138 HydrophobicContact CD2-CE1 4.2Å; Y56-Y138 AromaticContact CD2-CE2 3.58Å; Y56-Y138 HydrophobicContact CD2-CE2 3.58Å; Y56-Y138 AromaticContact CD2-CZ 3.62Å; Y56-Y138 HydrophobicContact CE2-CE2 4.02Å |
| 57 | K | 90.1 | Very high | 80.8 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 115.8 | 176.2 | -84.5 | -177.8 | 165 | -167.6 | 0 | 107.4 | D90 I95 V137 F139 | K57-D90 VanDerWaalsContact CE-OD1 3.23Å; K57-D90 WeakPolarHBondContact CE-OD1 3.28Å; K57-D90 VanDerWaalsContact CE-OD2 3.32Å; K57-D90 WeakPolarHBondContact CE-OD2 3.42Å; K57-D90 IonicContact NZ-OD1 3.23Å; K57-D90 PolarHBondContact NZ-OD1 2.69Å; K57-D90 IonicContact NZ-OD2 2.73Å; K57-D90 PolarHBondContact NZ-OD2 2.88Å; K57-I95 HydrophobicContact CG-CG1 4.15Å; K57-I95 HydrophobicContact CG-CG2 4.1Å; K57-V137 HydrophobicContact CB-CB 4.48Å; K57-V137 PolarHBondContact N-O 3.38Å; K57-V137 PolarHBondContact O-N 2.96Å; K57-F139 HydrophobicContact CB-CD2 4.34Å; K57-F139 HydrophobicContact CB-CE2 4.23Å; K57-F139 HydrophobicContact CD-CD2 3.71Å; K57-F139 HydrophobicContact CD-CE2 3.5Å; K57-F139 HydrophobicContact CD-CG 4.46Å; K57-F139 HydrophobicContact CD-CZ 4.1Å; K57-F139 HydrophobicContact CG-CD2 4.32Å; K57-F139 HydrophobicContact CG-CE2 4.35Å |
| 58 | S | 87.5 | Confident | 80 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 160.1 | 178.3 | 59.8 | 0 | 0 | 0 | 0 | 112 | R93 T94 | S58-R93 WeakPolarHBondContact O-CD 3.15Å; S58-T94 VanDerWaalsContact CB-OG1 3.29Å; S58-T94 WeakPolarHBondContact CB-OG1 3.33Å; S58-T94 PolarHBondContact N-O 3.23Å; S58-T94 VanDerWaalsContact N-O 3.11Å; S58-T94 PolarHBondContact OG-N 3.08Å; S58-T94 PolarHBondContact OG-OG1 3.04Å |
| 59 | Y | 81.8 | Confident | 78.7 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | trans | -62.5 | 150.8 | 171.8 | -64.7 | -60.7 | 0 | 0 | 0 | 111.7 | P63 V85 G136 V137 L158 I159 | Y59-P63 HydrophobicContact CD2-CG 4.1Å; Y59-P63 HydrophobicContact CE1-CG 4.45Å; Y59-P63 HydrophobicContact CE2-CG 3.94Å; Y59-P63 HydrophobicContact CG-CG 4.42Å; Y59-V85 HydrophobicContact CD1-CG1 3.58Å; Y59-V85 HydrophobicContact CE1-CG1 4.1Å; Y59-V85 HydrophobicContact CG-CG1 4.25Å; Y59-G136 VanDerWaalsContact CE2-CA 3.46Å; Y59-G136 PolarHBondContact OH-O 3.42Å; Y59-V137 HydrophobicContact CD1-CG2 3.93Å; Y59-V137 HydrophobicContact CE1-CG2 3.73Å; Y59-L158 PolarHBondContact OH-O 2.99Å; Y59-I159 WeakPolarHBondContact OH-CG1 3.38Å | ||
| 60 | C | 76.1 | Confident | 77.4 | Confident | 46 Ų | 46 | 52 Ų | 52 | 31% | 0.311 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -80 | -32.4 | 174.6 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | V85 N86 C88 | C60-V85 VanDerWaalsContact CB-O 3.24Å; C60-V85 WeakPolarHBondContact CB-O 3.33Å; C60-V85 PolarHBondContact N-O 3.39Å; C60-V85 PolarHBondContact SG-O 2.84Å; C60-N86 PolarHBondContact SG-O 3.48Å; C60-C88 HydrophobicContact CB-CB 3.51Å; C60-C88 WeakPolarHBondContact CB-SG 3.07Å; C60-C88 WeakPolarHBondContact SG-CB 3.21Å; C60-C88 PolarHBondContact SG-N 2.99Å; C60-C88 CovalentContact SG-SG 2.02Å; C60-C88 PolarHBondContact SG-SG 3.26Å |
| 61 | R | 70.9 | Confident | 75.9 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -151.8 | 136.4 | 177.8 | -166.3 | 174 | -175.5 | 172.9 | 1.6 | 106.9 | V66 S71 D74 | R61-V66 HydrophobicContact CB-CG2 4.29Å; R61-V66 HydrophobicContact CG-CG2 3.8Å; R61-S71 PolarHBondContact NH1-OG 2.87Å; R61-S71 PolarHBondContact NH2-OG 3.49Å; R61-D74 IonicContact CZ-OD1 2.91Å; R61-D74 IonicContact CZ-OD2 2.7Å; R61-D74 IonicContact NH1-OD1 3.4Å; R61-D74 PolarHBondContact NH1-OD1 2.76Å; R61-D74 IonicContact NH1-OD2 2.65Å; R61-D74 PolarHBondContact NH1-OD2 2.76Å; R61-D74 IonicContact NH2-OD2 3.05Å |
| 62 | D | 66.9 | Low | 74.1 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | trans | -57.9 | 123.5 | -173.8 | -74 | -13.3 | 0 | 0 | 0 | 111.5 | I64 Q65 V66 | D62-I64 PolarHBondContact O-N 3.43Å; D62-Q65 HydrophobicContact CB-CB 3.94Å; D62-Q65 HydrophobicContact CB-CG 3.72Å; D62-Q65 PolarHBondContact O-N 3.26Å; D62-Q65 PolarHBondContact OD2-NE2 3.29Å; D62-V66 PolarHBondContact O-N 3.28Å | ||
| 63 | P | 67.8 | Low | 72.4 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 16% | 0.156 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.5 | -32.7 | -180 | 20.3 | -30.6 | 0 | 0 | 0 | 112.1 | Y59 V66 A67 V85 I159 | Y59-P63 HydrophobicContact CD2-CG 4.1Å; Y59-P63 HydrophobicContact CE1-CG 4.45Å; Y59-P63 HydrophobicContact CE2-CG 3.94Å; Y59-P63 HydrophobicContact CG-CG 4.42Å; P63-V66 PolarHBondContact O-N 3.21Å; P63-A67 WeakPolarHBondContact O-CB 3.3Å; P63-A67 PolarHBondContact O-N 2.82Å; P63-V85 HydrophobicContact CB-CG1 3.96Å; P63-V85 HydrophobicContact CB-CG2 4.33Å; P63-V85 HydrophobicContact CG-CG1 4.34Å; P63-I159 HydrophobicContact CG-CD1 4.41Å |
| 64 | I | 66.8 | Low | 70.7 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 45% | 0.451 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 177 | -59.3 | 174.2 | 0 | 0 | 0 | 110.9 | D62 A67 L68 L161 | D62-I64 PolarHBondContact O-N 3.43Å; I64-A67 PolarHBondContact O-N 3.37Å; I64-L68 HydrophobicContact CG2-CD1 3.78Å; I64-L68 HydrophobicContact CG2-CG 4.43Å; I64-L68 WeakPolarHBondContact O-CB 3.3Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.45Å; I64-L68 PolarHBondContact O-N 2.93Å; I64-L161 HydrophobicContact CD1-CD2 3.98Å |
| 65 | Q | 62.6 | Low | 69 | Low | 107 Ų | 107 | 60.8 Ų | 60.8 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.6 | -37.2 | 176.3 | -65.8 | -171.2 | 43.3 | 0 | 0 | 112.1 | D62 S69 | D62-Q65 HydrophobicContact CB-CB 3.94Å; D62-Q65 HydrophobicContact CB-CG 3.72Å; D62-Q65 PolarHBondContact O-N 3.26Å; D62-Q65 PolarHBondContact OD2-NE2 3.29Å; Q65-S69 CarbonylContact O-C 3.5Å; Q65-S69 WeakPolarHBondContact O-CA 3.22Å; Q65-S69 PolarHBondContact O-N 3.02Å; Q65-S69 PolarHBondContact O-OG 3.49Å |
| 66 | V | 65.5 | Low | 67.3 | Low | 21 Ų | 21 | 60.1 Ų | 60.1 | 13% | 0.127 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68 | -36.2 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | R61 D62 P63 S69 P70 D74 V85 | R61-V66 HydrophobicContact CB-CG2 4.29Å; R61-V66 HydrophobicContact CG-CG2 3.8Å; D62-V66 PolarHBondContact O-N 3.28Å; P63-V66 PolarHBondContact O-N 3.21Å; V66-S69 CarbonylContact O-C 3.59Å; V66-P70 WeakPolarHBondContact O-CA 3.34Å; V66-P70 WeakPolarHBondContact O-CD 3.42Å; V66-D74 HydrophobicContact CG1-CB 4.31Å; V66-V85 HydrophobicContact CB-CG2 4.32Å; V66-V85 HydrophobicContact CG2-CG2 4.16Å |
| 67 | A | 60.3 | Low | 65.7 | Low | 81 Ų | 81 | 62.6 Ų | 62.6 | 67% | 0.669 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.8 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P63 I64 | P63-A67 WeakPolarHBondContact O-CB 3.3Å; P63-A67 PolarHBondContact O-N 2.82Å; I64-A67 PolarHBondContact O-N 3.37Å |
| 68 | L | 63 | Low | 64.2 | Low | 143 Ų | 143 | 64.6 Ų | 64.6 | 75% | 0.749 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -82.3 | -24.3 | 179.4 | -68.3 | 172.6 | 0 | 0 | 0 | 113.6 | I64 | I64-L68 HydrophobicContact CG2-CD1 3.78Å; I64-L68 HydrophobicContact CG2-CG 4.43Å; I64-L68 WeakPolarHBondContact O-CB 3.3Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.45Å; I64-L68 PolarHBondContact O-N 2.93Å |
| 69 | S | 56.3 | Low | 62.9 | Low | 68 Ų | 68 | 71.5 Ų | 71.5 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -147.4 | 73.3 | -177.6 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | Q65 V66 S71 | Q65-S69 CarbonylContact O-C 3.5Å; Q65-S69 WeakPolarHBondContact O-CA 3.22Å; Q65-S69 PolarHBondContact O-N 3.02Å; Q65-S69 PolarHBondContact O-OG 3.49Å; V66-S69 CarbonylContact O-C 3.59Å; S69-S71 PolarHBondContact O-N 3.47Å |
| 70 | P | 58.2 | Low | 61.9 | Low | 82 Ų | 82 | 73.1 Ų | 73.1 | 53% | 0.532 | 44% | 0.437 | S | S | . | . | trans | -63.5 | 110.7 | 174.2 | 26.3 | -33.9 | 0 | 0 | 0 | 109.1 | V66 T75 | V66-P70 WeakPolarHBondContact O-CA 3.34Å; V66-P70 WeakPolarHBondContact O-CD 3.42Å; P70-T75 HydrophobicContact CB-CG2 4.42Å | ||
| 71 | S | 60.5 | Low | 61.1 | Low | 34 Ų | 34 | 78.5 Ų | 78.5 | 24% | 0.238 | 46% | 0.463 | C | S | . | . | trans | -78.5 | 154.1 | 175.3 | 65.1 | 0 | 0 | 0 | 0 | 110 | R61 S69 T73 D74 T75 | R61-S71 PolarHBondContact NH1-OG 2.87Å; R61-S71 PolarHBondContact NH2-OG 3.49Å; S69-S71 PolarHBondContact O-N 3.47Å; S71-T73 PolarHBondContact O-N 3.36Å; S71-T73 PolarHBondContact OG-OG1 3.17Å; S71-D74 WeakPolarHBondContact CB-OD2 3.16Å; S71-D74 PolarHBondContact N-OD2 3.3Å; S71-D74 WeakPolarHBondContact O-CA 3.4Å; S71-D74 WeakPolarHBondContact O-CB 3.48Å; S71-D74 PolarHBondContact O-N 3.32Å; S71-D74 PolarHBondContact OG-OD2 2.86Å; S71-T75 PolarHBondContact O-N 2.89Å | ||
| 72 | S | 53.8 | Low | 60.7 | Low | 101 Ų | 101 | 77.3 Ų | 77.3 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.9 | -17.1 | -173.6 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | T75 A76 | S72-T75 WeakPolarHBondContact CA-OG1 3.44Å; S72-T75 PolarHBondContact O-OG1 2.92Å; S72-A76 PolarHBondContact O-N 3.5Å |
| 73 | T | 56.9 | Low | 60.8 | Low | 80 Ų | 80 | 78.3 Ų | 78.3 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.6 | -40 | 168.3 | 52 | 0 | 0 | 0 | 0 | 112.3 | S71 T75 A76 I77 | S71-T73 PolarHBondContact O-N 3.36Å; S71-T73 PolarHBondContact OG-OG1 3.17Å; T73-T75 VanDerWaalsContact C-N 3.3Å; T73-T75 PolarHBondContact O-N 3.31Å; T73-A76 PolarHBondContact O-N 3Å; T73-A76 VanDerWaalsContact O-N 3.15Å; T73-I77 WeakPolarHBondContact O-CD1 3.13Å; T73-I77 VanDerWaalsContact O-CG1 3.23Å; T73-I77 WeakPolarHBondContact O-CG1 3.32Å; T73-I77 PolarHBondContact O-N 3.45Å |
| 74 | D | 59.1 | Low | 60.6 | Low | 6 Ų | 6 | 78.4 Ų | 78.4 | 3% | 0.032 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 178.7 | -54.1 | -54.5 | 0 | 0 | 0 | 111 | R61 V66 S71 A76 I77 S78 P84 | R61-D74 IonicContact CZ-OD1 2.91Å; R61-D74 IonicContact CZ-OD2 2.7Å; R61-D74 IonicContact NH1-OD1 3.4Å; R61-D74 PolarHBondContact NH1-OD1 2.76Å; R61-D74 IonicContact NH1-OD2 2.65Å; R61-D74 PolarHBondContact NH1-OD2 2.76Å; R61-D74 IonicContact NH2-OD2 3.05Å; V66-D74 HydrophobicContact CG1-CB 4.31Å; S71-D74 WeakPolarHBondContact CB-OD2 3.16Å; S71-D74 PolarHBondContact N-OD2 3.3Å; S71-D74 WeakPolarHBondContact O-CA 3.4Å; S71-D74 WeakPolarHBondContact O-CB 3.48Å; S71-D74 PolarHBondContact O-N 3.32Å; S71-D74 PolarHBondContact OG-OD2 2.86Å; D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.45Å; D74-I77 PolarHBondContact O-N 2.95Å; D74-S78 WeakPolarHBondContact O-CB 3.43Å; D74-S78 PolarHBondContact O-N 2.9Å; D74-S78 PolarHBondContact O-OG 3.07Å; D74-P84 HydrophobicContact CB-CG 4.21Å |
| 75 | T | 58.7 | Low | 60.8 | Low | 63 Ų | 63 | 75.1 Ų | 75.1 | 39% | 0.387 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.4 | -27.6 | 175.5 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | P70 S71 S72 T73 S78 Q79 | P70-T75 HydrophobicContact CB-CG2 4.42Å; S71-T75 PolarHBondContact O-N 2.89Å; S72-T75 WeakPolarHBondContact CA-OG1 3.44Å; S72-T75 PolarHBondContact O-OG1 2.92Å; T73-T75 VanDerWaalsContact C-N 3.3Å; T73-T75 PolarHBondContact O-N 3.31Å; T75-S78 PolarHBondContact O-OG 3.43Å; T75-Q79 VanDerWaalsContact O-CD 3.27Å; T75-Q79 WeakPolarHBondContact O-CG 3.29Å; T75-Q79 PolarHBondContact O-N 3.41Å |
| 76 | A | 57.4 | Low | 61.3 | Low | 56 Ų | 56 | 71.1 Ų | 71.1 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -79 | -31.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S72 T73 D74 | S72-A76 PolarHBondContact O-N 3.5Å; T73-A76 PolarHBondContact O-N 3Å; T73-A76 VanDerWaalsContact O-N 3.15Å; D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.45Å |
| 77 | I | 59.2 | Low | 61.7 | Low | 63 Ų | 63 | 75.5 Ų | 75.5 | 32% | 0.323 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -75.5 | -40.6 | 177.7 | -65.6 | 161.4 | 0 | 0 | 0 | 110.7 | T73 D74 Q79 A80 I82 P84 | T73-I77 WeakPolarHBondContact O-CD1 3.13Å; T73-I77 VanDerWaalsContact O-CG1 3.23Å; T73-I77 WeakPolarHBondContact O-CG1 3.32Å; T73-I77 PolarHBondContact O-N 3.45Å; D74-I77 PolarHBondContact O-N 2.95Å; I77-Q79 VanDerWaalsContact C-N 3.33Å; I77-Q79 PolarHBondContact O-N 2.86Å; I77-A80 WeakPolarHBondContact O-CB 3.48Å; I77-A80 PolarHBondContact O-N 2.9Å; I77-I82 CarbonylContact C-O 3.58Å; I77-I82 HydrophobicContact CG2-CB 3.87Å; I77-I82 HydrophobicContact CG2-CG2 3.66Å; I77-I82 PolarHBondContact O-N 3.25Å; I77-P84 HydrophobicContact CB-CB 4.38Å; I77-P84 HydrophobicContact CD1-CB 4.37Å; I77-P84 HydrophobicContact CG2-CB 3.96Å; I77-P84 HydrophobicContact CG2-CG 4.46Å |
| 78 | S | 59.7 | Low | 62.4 | Low | 69 Ų | 69 | 73 Ų | 73 | 48% | 0.483 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.5 | -32 | 175 | 64.6 | 0 | 0 | 0 | 0 | 112.9 | D74 T75 A80 N81 | D74-S78 WeakPolarHBondContact O-CB 3.43Å; D74-S78 PolarHBondContact O-N 2.9Å; D74-S78 PolarHBondContact O-OG 3.07Å; T75-S78 PolarHBondContact O-OG 3.43Å; S78-A80 PolarHBondContact O-N 3.31Å; S78-N81 PolarHBondContact O-N 3.29Å |
| 79 | Q | 58.8 | Low | 63 | Low | 165 Ų | 165 | 70 Ų | 70 | 77% | 0.771 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61 | -25 | 169.2 | -79.3 | 169.7 | 5.8 | 0 | 0 | 113.4 | T75 I77 N81 | T75-Q79 VanDerWaalsContact O-CD 3.27Å; T75-Q79 WeakPolarHBondContact O-CG 3.29Å; T75-Q79 PolarHBondContact O-N 3.41Å; I77-Q79 VanDerWaalsContact C-N 3.33Å; I77-Q79 PolarHBondContact O-N 2.86Å; Q79-N81 VanDerWaalsContact C-N 3.25Å; Q79-N81 PolarHBondContact O-N 3.32Å |
| 80 | A | 60.6 | Low | 64 | Low | 63 Ų | 63 | 70.3 Ų | 70.3 | 52% | 0.521 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 5.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I77 S78 I82 | I77-A80 WeakPolarHBondContact O-CB 3.48Å; I77-A80 PolarHBondContact O-N 2.9Å; S78-A80 PolarHBondContact O-N 3.31Å; A80-I82 VanDerWaalsContact C-N 3.28Å; A80-I82 HydrophobicContact CB-CD1 4.03Å; A80-I82 HydrophobicContact CB-CG1 4.29Å; A80-I82 PolarHBondContact O-N 2.86Å |
| 81 | N | 60.4 | Low | 64.8 | Low | 159 Ų | 159 | 75.6 Ų | 75.6 | 85% | 0.85 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 40.3 | -172.4 | -162.8 | 23.4 | 0 | 0 | 0 | 112.8 | S78 Q79 | S78-N81 PolarHBondContact O-N 3.29Å; Q79-N81 VanDerWaalsContact C-N 3.25Å; Q79-N81 PolarHBondContact O-N 3.32Å |
| 82 | I | 62.8 | Low | 65.5 | Low | 69 Ų | 69 | 80.3 Ų | 80.3 | 35% | 0.354 | 46% | 0.457 | S | S | . | . | trans | -120.1 | 132.1 | 178.3 | -67.5 | 171.4 | 0 | 0 | 0 | 108.2 | I77 A80 P84 N87 | I77-I82 CarbonylContact C-O 3.58Å; I77-I82 HydrophobicContact CG2-CB 3.87Å; I77-I82 HydrophobicContact CG2-CG2 3.66Å; I77-I82 PolarHBondContact O-N 3.25Å; A80-I82 VanDerWaalsContact C-N 3.28Å; A80-I82 HydrophobicContact CB-CD1 4.03Å; A80-I82 HydrophobicContact CB-CG1 4.29Å; A80-I82 PolarHBondContact O-N 2.86Å; I82-P84 WeakPolarHBondContact O-CD 3.06Å; I82-N87 HydrophobicContact CG2-CB 3.75Å; I82-N87 VanDerWaalsContact CG2-ND2 3.26Å; I82-N87 WeakPolarHBondContact CG2-ND2 3.13Å | ||
| 83 | D | 67.9 | Low | 66.7 | Low | 102 Ų | 102 | 76.9 Ų | 76.9 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | trans | -82.4 | 108 | 177.4 | -71.6 | -47.1 | 0 | 0 | 0 | 111.5 | V85 N86 N87 | D83-V85 PolarHBondContact O-N 2.94Å; D83-V85 VanDerWaalsContact O-N 3.15Å; D83-N86 HydrophobicContact CB-CB 4.37Å; D83-N86 PolarHBondContact O-N 3.36Å; D83-N87 WeakPolarHBondContact O-CB 3.17Å; D83-N87 PolarHBondContact O-N 3.4Å | ||
| 84 | P | 64.3 | Low | 67.8 | Low | 26 Ų | 26 | 76.2 Ų | 76.2 | 17% | 0.169 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.2 | -177.8 | 27.9 | -35.3 | 0 | 0 | 0 | 113.5 | D74 I77 I82 | D74-P84 HydrophobicContact CB-CG 4.21Å; I77-P84 HydrophobicContact CB-CB 4.38Å; I77-P84 HydrophobicContact CD1-CB 4.37Å; I77-P84 HydrophobicContact CG2-CB 3.96Å; I77-P84 HydrophobicContact CG2-CG 4.46Å; I82-P84 WeakPolarHBondContact O-CD 3.06Å |
| 85 | V | 71 | Confident | 69.3 | Low | 19 Ų | 19 | 79.5 Ų | 79.5 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -32.2 | 177.4 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | Y59 C60 P63 V66 D83 | Y59-V85 HydrophobicContact CD1-CG1 3.58Å; Y59-V85 HydrophobicContact CE1-CG1 4.1Å; Y59-V85 HydrophobicContact CG-CG1 4.25Å; C60-V85 VanDerWaalsContact CB-O 3.24Å; C60-V85 WeakPolarHBondContact CB-O 3.33Å; C60-V85 PolarHBondContact N-O 3.39Å; C60-V85 PolarHBondContact SG-O 2.84Å; P63-V85 HydrophobicContact CB-CG1 3.96Å; P63-V85 HydrophobicContact CB-CG2 4.33Å; P63-V85 HydrophobicContact CG-CG1 4.34Å; V66-V85 HydrophobicContact CB-CG2 4.32Å; V66-V85 HydrophobicContact CG2-CG2 4.16Å; D83-V85 PolarHBondContact O-N 2.94Å; D83-V85 VanDerWaalsContact O-N 3.15Å |
| 86 | N | 73.1 | Confident | 70.7 | Confident | 23 Ų | 23 | 81 Ų | 81 | 12% | 0.123 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -27.8 | -167.7 | -67.1 | -26.3 | 0 | 0 | 0 | 113.8 | C60 D83 C88 R93 V137 E157 | C60-N86 PolarHBondContact SG-O 3.48Å; D83-N86 HydrophobicContact CB-CB 4.37Å; D83-N86 PolarHBondContact O-N 3.36Å; N86-C88 PolarHBondContact O-N 3.45Å; N86-R93 PolarHBondContact O-NH1 3.1Å; N86-V137 VanDerWaalsContact OD1-CG2 3.22Å; N86-V137 WeakPolarHBondContact OD1-CG2 3.37Å; N86-E157 PolarHBondContact ND2-OE1 3.03Å |
| 87 | N | 73.1 | Confident | 72.3 | Confident | 114 Ų | 114 | 81.5 Ų | 81.5 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | trans | -89.5 | 69 | -173.9 | -169.6 | 53.8 | 0 | 0 | 0 | 113.1 | I82 D83 | I82-N87 HydrophobicContact CG2-CB 3.75Å; I82-N87 VanDerWaalsContact CG2-ND2 3.26Å; I82-N87 WeakPolarHBondContact CG2-ND2 3.13Å; D83-N87 WeakPolarHBondContact O-CB 3.17Å; D83-N87 PolarHBondContact O-N 3.4Å | ||
| 88 | C | 75.4 | Confident | 73.9 | Confident | 27 Ų | 27 | 78.5 Ų | 78.5 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -117.6 | 154.9 | 165.8 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | C60 N86 R93 | C60-C88 HydrophobicContact CB-CB 3.51Å; C60-C88 WeakPolarHBondContact CB-SG 3.07Å; C60-C88 WeakPolarHBondContact SG-CB 3.21Å; C60-C88 PolarHBondContact SG-N 2.99Å; C60-C88 CovalentContact SG-SG 2.02Å; C60-C88 PolarHBondContact SG-SG 3.26Å; N86-C88 PolarHBondContact O-N 3.45Å; C88-R93 PolarHBondContact O-NH2 2.61Å |
| 89 | P | 75.7 | Confident | 75.5 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | trans | -63.4 | 141.2 | 174.3 | 28.5 | -36.2 | 0 | 0 | 0 | 111 | K91 D92 | P89-K91 PolarHBondContact O-N 3.32Å; P89-D92 WeakPolarHBondContact CG-OD2 3.14Å; P89-D92 PolarHBondContact O-N 2.6Å; P89-D92 VanDerWaalsContact O-N 3.1Å | ||
| 90 | D | 76.4 | Confident | 77.1 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -2.6 | -176.2 | -90 | -6.4 | 0 | 0 | 0 | 115.4 | K57 R93 I95 | K57-D90 VanDerWaalsContact CE-OD1 3.23Å; K57-D90 WeakPolarHBondContact CE-OD1 3.28Å; K57-D90 VanDerWaalsContact CE-OD2 3.32Å; K57-D90 WeakPolarHBondContact CE-OD2 3.42Å; K57-D90 IonicContact NZ-OD1 3.23Å; K57-D90 PolarHBondContact NZ-OD1 2.69Å; K57-D90 IonicContact NZ-OD2 2.73Å; K57-D90 PolarHBondContact NZ-OD2 2.88Å; D90-R93 IonicContact OD1-CZ 3.15Å; D90-R93 IonicContact OD1-NE 2.61Å; D90-R93 PolarHBondContact OD1-NE 3.19Å; D90-R93 IonicContact OD1-NH2 2.87Å; D90-R93 PolarHBondContact OD1-NH2 2.69Å; D90-I95 HydrophobicContact CB-CD1 3.55Å; D90-I95 VanDerWaalsContact CG-CD1 3.42Å; D90-I95 WeakPolarHBondContact O-CD1 3.32Å |
| 91 | K | 75.9 | Confident | 78.7 | Confident | 193 Ų | 193 | 67.7 Ų | 67.7 | 84% | 0.839 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -30.4 | 173.5 | -65.7 | -174.1 | 179.1 | -179.9 | 0 | 113.5 | P89 R93 | P89-K91 PolarHBondContact O-N 3.32Å; K91-R93 VanDerWaalsContact C-N 3.26Å; K91-R93 PolarHBondContact O-N 3.45Å |
| 92 | D | 74.6 | Confident | 80.2 | Confident | 133 Ų | 133 | 64.1 Ų | 64.1 | 71% | 0.711 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -93 | 8.3 | -173.1 | -55.2 | -20.7 | 0 | 0 | 0 | 111.4 | P89 | P89-D92 WeakPolarHBondContact CG-OD2 3.14Å; P89-D92 PolarHBondContact O-N 2.6Å; P89-D92 VanDerWaalsContact O-N 3.1Å |
| 93 | R | 78.9 | Confident | 81.3 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -128 | 143.7 | -168.3 | 166.5 | 155.9 | 66.6 | -161.4 | -7.6 | 111.1 | S58 N86 C88 D90 K91 I95 | S58-R93 WeakPolarHBondContact O-CD 3.15Å; N86-R93 PolarHBondContact O-NH1 3.1Å; C88-R93 PolarHBondContact O-NH2 2.61Å; D90-R93 IonicContact OD1-CZ 3.15Å; D90-R93 IonicContact OD1-NE 2.61Å; D90-R93 PolarHBondContact OD1-NE 3.19Å; D90-R93 IonicContact OD1-NH2 2.87Å; D90-R93 PolarHBondContact OD1-NH2 2.69Å; K91-R93 VanDerWaalsContact C-N 3.26Å; K91-R93 PolarHBondContact O-N 3.45Å; R93-I95 HydrophobicContact CG-CG1 4.18Å |
| 94 | T | 81.4 | Confident | 82.1 | Confident | 66 Ų | 66 | 65 Ų | 65 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | trans | -76.2 | 126.8 | 168.1 | 68.2 | 0 | 0 | 0 | 0 | 110.2 | S58 | S58-T94 VanDerWaalsContact CB-OG1 3.29Å; S58-T94 WeakPolarHBondContact CB-OG1 3.33Å; S58-T94 PolarHBondContact N-O 3.23Å; S58-T94 VanDerWaalsContact N-O 3.11Å; S58-T94 PolarHBondContact OG-N 3.08Å; S58-T94 PolarHBondContact OG-OG1 3.04Å | ||
| 95 | I | 89.3 | Confident | 83.2 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.6 | 179 | -49.7 | -176.8 | 0 | 0 | 0 | 108.1 | Y56 K57 D90 R93 | Y56-I95 WeakPolarHBondContact O-CA 3.28Å; K57-I95 HydrophobicContact CG-CG1 4.15Å; K57-I95 HydrophobicContact CG-CG2 4.1Å; D90-I95 HydrophobicContact CB-CD1 3.55Å; D90-I95 VanDerWaalsContact CG-CD1 3.42Å; D90-I95 WeakPolarHBondContact O-CD1 3.32Å; R93-I95 HydrophobicContact CG-CG1 4.18Å |
| 96 | R | 89.5 | Confident | 84.2 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 36% | 0.355 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 130.7 | -174 | -55.3 | 170.5 | -177.2 | -148.6 | -6.6 | 109.9 | K55 Y56 V98 E111 Y112 | K55-R96 CarbonylContact C-O 3.54Å; Y56-R96 HydrophobicContact CD1-CB 4.28Å; Y56-R96 HydrophobicContact CD1-CG 4.28Å; Y56-R96 PolarHBondContact N-O 2.77Å; Y56-R96 PolarHBondContact O-N 2.82Å; R96-V98 PolarHBondContact O-N 2.96Å; R96-E111 VanDerWaalsContact CD-OE2 3.28Å; R96-E111 WeakPolarHBondContact CD-OE2 3.5Å; R96-E111 IonicContact CZ-OE2 2.7Å; R96-E111 IonicContact NE-OE2 2.71Å; R96-E111 PolarHBondContact NE-OE2 2.91Å; R96-E111 IonicContact NH1-OE2 2.73Å; R96-E111 PolarHBondContact NH1-OE2 3Å; R96-E111 IonicContact NH2-OE2 3.13Å; R96-Y112 HydrophobicContact CB-CE2 3.94Å |
| 97 | T | 90.9 | Very high | 85.1 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 119.7 | 170 | -52.4 | 0 | 0 | 0 | 0 | 108.5 | T53 V100 G109 | T53-T97 HydrophobicContact CG2-CG2 4Å; T97-V100 HydrophobicContact CG2-CG2 3.96Å; T97-G109 WeakPolarHBondContact O-CA 3.43Å |
| 98 | V | 92 | Very high | 86 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -46.3 | 179.5 | -173.2 | 0 | 0 | 0 | 0 | 110 | W54 R96 G109 Y112 I117 L125 Y138 | W54-V98 HydrophobicContact CB-CB 4.2Å; W54-V98 PolarHBondContact O-N 3.24Å; R96-V98 PolarHBondContact O-N 2.96Å; V98-G109 PolarHBondContact O-N 3.33Å; V98-Y112 HydrophobicContact CB-CD2 4.35Å; V98-Y112 HydrophobicContact CB-CE2 4.37Å; V98-Y112 HydrophobicContact CG1-CD1 4.17Å; V98-Y112 HydrophobicContact CG1-CD2 4.25Å; V98-Y112 HydrophobicContact CG1-CE1 4.44Å; V98-Y112 HydrophobicContact CG1-CE2 4.5Å; V98-Y112 HydrophobicContact CG1-CG 4.07Å; V98-Y112 HydrophobicContact CG2-CE2 4.07Å; V98-I117 HydrophobicContact CG1-CG2 3.93Å; V98-L125 HydrophobicContact CG1-CD1 4.09Å; V98-L125 HydrophobicContact CG1-CD2 4.12Å; V98-Y138 HydrophobicContact CG2-CD1 4.22Å; V98-Y138 HydrophobicContact CG2-CE1 3.94Å |
| 99 | G | 93 | Very high | 86.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 160.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W54 V107 | W54-G99 PolarHBondContact N-O 2.97Å; G99-V107 CarbonylContact C-O 3.47Å; G99-V107 VanDerWaalsContact CA-O 3.29Å; G99-V107 WeakPolarHBondContact CA-O 3.3Å |
| 100 | V | 93.3 | Very high | 87.1 | Confident | 47 Ų | 47 | 73.8 Ų | 73.8 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.2 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | I51 V52 T53 T97 V107 | I51-V100 HydrophobicContact CG2-CG1 3.48Å; I51-V100 VanDerWaalsContact CG2-CG1 3.48Å; V52-V100 CarbonylContact O-C 3.55Å; V52-V100 WeakPolarHBondContact O-CA 3.22Å; T53-V100 HydrophobicContact CG2-CG2 4.03Å; T97-V100 HydrophobicContact CG2-CG2 3.96Å; V100-V107 PolarHBondContact N-O 2.87Å; V100-V107 PolarHBondContact O-N 3.42Å |
| 101 | K | 93.2 | Very high | 87.4 | Confident | 23 Ų | 23 | 75 Ų | 75 | 10% | 0.1 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.6 | 171.6 | 175.2 | 176.3 | -179.6 | 179.4 | 0 | 109.3 | I51 V52 G103 S105 V106 I119 N121 K122 | I51-K101 WeakPolarHBondContact CA-O 3.33Å; V52-K101 HydrophobicContact CB-CB 4.3Å; V52-K101 PolarHBondContact N-O 2.83Å; V52-K101 PolarHBondContact O-N 3.44Å; K101-G103 WeakPolarHBondContact CE-O 3.48Å; K101-G103 VanDerWaalsContact CG-O 3.23Å; K101-G103 WeakPolarHBondContact CG-O 3.37Å; K101-S105 CarbonylContact C-O 3.55Å; K101-S105 VanDerWaalsContact CA-O 3.26Å; K101-S105 WeakPolarHBondContact CA-O 3.43Å; K101-V106 HydrophobicContact CB-CG2 4.19Å; K101-V106 HydrophobicContact CD-CG2 4.09Å; K101-V106 HydrophobicContact CG-CG2 4Å; K101-I119 HydrophobicContact CB-CB 4.13Å; K101-I119 HydrophobicContact CB-CD1 3.97Å; K101-I119 HydrophobicContact CB-CG2 3.99Å; K101-I119 HydrophobicContact CD-CB 3.99Å; K101-I119 HydrophobicContact CD-CG2 3.57Å; K101-I119 HydrophobicContact CG-CG2 4.46Å; K101-I119 PolarHBondContact NZ-O 3.47Å; K101-N121 PolarHBondContact NZ-O 2.81Å; K101-K122 WeakPolarHBondContact CE-O 3.41Å; K101-K122 PolarHBondContact NZ-O 3.45Å |
| 102 | N | 91.8 | Very high | 87.8 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 104.6 | -179.4 | -178 | 15.5 | 0 | 0 | 0 | 107.9 | I51 D104 S105 | I51-N102 HydrophobicContact CG1-CB 4.43Å; N102-D104 PolarHBondContact O-N 2.8Å; N102-S105 PolarHBondContact N-O 2.85Å; N102-S105 PolarHBondContact O-N 3.29Å; N102-S105 VanDerWaalsContact O-N 3.09Å; N102-S105 PolarHBondContact O-OG 3.43Å |
| 103 | G | 85.8 | Confident | 88.2 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -129.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K101 S105 | K101-G103 WeakPolarHBondContact CE-O 3.48Å; K101-G103 VanDerWaalsContact CG-O 3.23Å; K101-G103 WeakPolarHBondContact CG-O 3.37Å; G103-S105 VanDerWaalsContact C-N 3.32Å |
| 104 | D | 85 | Confident | 88.3 | Confident | 167 Ų | 167 | 67 Ų | 67 | 89% | 0.893 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.1 | 177.5 | -54.5 | -59.2 | 0 | 0 | 0 | 113.8 | N102 | N102-D104 PolarHBondContact O-N 2.8Š|
| 105 | S | 88 | Confident | 88.5 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.6 | -178.8 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | K101 N102 G103 | K101-S105 CarbonylContact C-O 3.55Å; K101-S105 VanDerWaalsContact CA-O 3.26Å; K101-S105 WeakPolarHBondContact CA-O 3.43Å; N102-S105 PolarHBondContact N-O 2.85Å; N102-S105 PolarHBondContact O-N 3.29Å; N102-S105 VanDerWaalsContact O-N 3.09Å; N102-S105 PolarHBondContact O-OG 3.43Å; G103-S105 VanDerWaalsContact C-N 3.32Å |
| 106 | V | 91 | Very high | 88.4 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 29% | 0.291 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.1 | 177.5 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | K101 L108 I119 | K101-V106 HydrophobicContact CB-CG2 4.19Å; K101-V106 HydrophobicContact CD-CG2 4.09Å; K101-V106 HydrophobicContact CG-CG2 4Å; V106-L108 HydrophobicContact CG1-CD2 4.46Å; V106-I119 HydrophobicContact CG1-CB 4.15Å; V106-I119 HydrophobicContact CG1-CD1 4.23Å; V106-I119 HydrophobicContact CG1-CG1 4.1Å; V106-I119 HydrophobicContact CG2-CB 4.21Å |
| 107 | V | 92 | Very high | 88.5 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 110.1 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | G99 V100 | G99-V107 CarbonylContact C-O 3.47Å; G99-V107 VanDerWaalsContact CA-O 3.29Å; G99-V107 WeakPolarHBondContact CA-O 3.3Å; V100-V107 PolarHBondContact N-O 2.87Å; V100-V107 PolarHBondContact O-N 3.42Å |
| 108 | L | 91.9 | Very high | 88.5 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 152 | 178.5 | -62.1 | 173.9 | 0 | 0 | 0 | 111.8 | V106 A113 I117 | V106-L108 HydrophobicContact CG1-CD2 4.46Å; L108-A113 HydrophobicContact CB-CB 4.3Å; L108-I117 WeakPolarHBondContact CD1-O 3.23Å; L108-I117 HydrophobicContact CD2-CB 4.32Å; L108-I117 HydrophobicContact CD2-CG2 4.12Å |
| 109 | G | 88.8 | Confident | 88.5 | Confident | 15 Ų | 15 | 67 Ų | 67 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | trans | -65.9 | 153 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T97 V98 E111 Y112 A113 | T97-G109 WeakPolarHBondContact O-CA 3.43Å; V98-G109 PolarHBondContact O-N 3.33Å; G109-E111 PolarHBondContact O-N 2.9Å; G109-Y112 CarbonylContact O-C 3.57Å; G109-Y112 WeakPolarHBondContact O-CA 3.45Å; G109-Y112 PolarHBondContact O-N 3.4Å; G109-A113 PolarHBondContact O-N 3.47Å | ||
| 110 | K | 85.9 | Confident | 88.4 | Confident | 205 Ų | 205 | 69.3 Ų | 69.3 | 89% | 0.891 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -34.4 | -173.5 | -64.5 | 179.6 | 179.8 | 178.5 | 0 | 114.3 | ||
| 111 | E | 82.4 | Confident | 88.2 | Confident | 101 Ų | 101 | 73 Ų | 73 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -19.2 | -179.5 | -59.6 | 177.1 | -139.7 | 0 | 0 | 113.7 | R96 G109 | R96-E111 VanDerWaalsContact CD-OE2 3.28Å; R96-E111 WeakPolarHBondContact CD-OE2 3.5Å; R96-E111 IonicContact CZ-OE2 2.7Å; R96-E111 IonicContact NE-OE2 2.71Å; R96-E111 PolarHBondContact NE-OE2 2.91Å; R96-E111 IonicContact NH1-OE2 2.73Å; R96-E111 PolarHBondContact NH1-OE2 3Å; R96-E111 IonicContact NH2-OE2 3.13Å; G109-E111 PolarHBondContact O-N 2.9Å |
| 112 | Y | 84.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 77.9 Ų | 77.9 | 3% | 0.027 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -11.4 | -177.4 | -59.4 | -81.5 | 0 | 0 | 0 | 112.5 | R96 V98 G109 S114 R115 I117 | R96-Y112 HydrophobicContact CB-CE2 3.94Å; V98-Y112 HydrophobicContact CB-CD2 4.35Å; V98-Y112 HydrophobicContact CB-CE2 4.37Å; V98-Y112 HydrophobicContact CG1-CD1 4.17Å; V98-Y112 HydrophobicContact CG1-CD2 4.25Å; V98-Y112 HydrophobicContact CG1-CE1 4.44Å; V98-Y112 HydrophobicContact CG1-CE2 4.5Å; V98-Y112 HydrophobicContact CG1-CG 4.07Å; V98-Y112 HydrophobicContact CG2-CE2 4.07Å; G109-Y112 CarbonylContact O-C 3.57Å; G109-Y112 WeakPolarHBondContact O-CA 3.45Å; G109-Y112 PolarHBondContact O-N 3.4Å; Y112-S114 PolarHBondContact O-N 2.93Å; Y112-R115 WeakPolarHBondContact O-CA 3.28Å; Y112-R115 WeakPolarHBondContact O-CB 3.37Å; Y112-R115 PolarHBondContact O-N 3.32Å; Y112-I117 HydrophobicContact CD1-CD1 3.56Å; Y112-I117 HydrophobicContact CE1-CD1 4.39Å; Y112-I117 HydrophobicContact CG-CD1 4.3Å |
| 113 | A | 83.5 | Confident | 87.9 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L108 G109 | L108-A113 HydrophobicContact CB-CB 4.3Å; G109-A113 PolarHBondContact O-N 3.47Å |
| 114 | S | 80.9 | Confident | 88.2 | Confident | 113 Ų | 113 | 73.5 Ų | 73.5 | 79% | 0.79 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.5 | 171.4 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | Y112 | Y112-S114 PolarHBondContact O-N 2.93Š|
| 115 | R | 85.2 | Confident | 88.7 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 30% | 0.302 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -106.3 | 154.5 | 179.7 | -61.2 | 178.3 | 174.9 | -114 | -19 | 110.6 | Y112 I117 Q131 E134 | Y112-R115 WeakPolarHBondContact O-CA 3.28Å; Y112-R115 WeakPolarHBondContact O-CB 3.37Å; Y112-R115 PolarHBondContact O-N 3.32Å; R115-I117 VanDerWaalsContact C-N 3.26Å; R115-I117 HydrophobicContact CB-CD1 3.88Å; R115-I117 HydrophobicContact CB-CG1 4.06Å; R115-I117 PolarHBondContact O-N 2.87Å; R115-Q131 VanDerWaalsContact CZ-OE1 3.23Å; R115-Q131 VanDerWaalsContact NH1-CD 3.32Å; R115-E134 IonicContact CZ-OE1 3.38Å; R115-E134 IonicContact NE-OE1 3.51Å; R115-E134 IonicContact NH1-OE1 2.97Å; R115-E134 PolarHBondContact NH1-OE1 2.88Å; R115-E134 IonicContact NH1-OE2 3.3Å |
| 116 | K | 87.8 | Confident | 88.9 | Confident | 137 Ų | 137 | 66.2 Ų | 66.2 | 60% | 0.596 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -79.5 | 72 | 174.8 | -60.3 | 169.8 | -170.4 | 160.5 | 0 | 110.5 | S128 D129 | K116-S128 WeakPolarHBondContact CB-OG 3.42Å; K116-S128 WeakPolarHBondContact CD-OG 3.49Å; K116-S128 PolarHBondContact O-N 2.86Å; K116-S128 VanDerWaalsContact O-N 3.1Å; K116-D129 IonicContact NZ-OD1 2.76Å; K116-D129 PolarHBondContact NZ-OD1 2.65Å; K116-D129 IonicContact NZ-OD2 3.64Å; K116-D129 PolarHBondContact NZ-OD2 3.27Å |
| 117 | I | 91.1 | Very high | 89.1 | Confident | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.9 | -179.9 | -63.6 | 173.2 | 0 | 0 | 0 | 108.3 | V98 L108 Y112 R115 L125 Q126 I127 | V98-I117 HydrophobicContact CG1-CG2 3.93Å; L108-I117 WeakPolarHBondContact CD1-O 3.23Å; L108-I117 HydrophobicContact CD2-CB 4.32Å; L108-I117 HydrophobicContact CD2-CG2 4.12Å; Y112-I117 HydrophobicContact CD1-CD1 3.56Å; Y112-I117 HydrophobicContact CE1-CD1 4.39Å; Y112-I117 HydrophobicContact CG-CD1 4.3Å; R115-I117 VanDerWaalsContact C-N 3.26Å; R115-I117 HydrophobicContact CB-CD1 3.88Å; R115-I117 HydrophobicContact CB-CG1 4.06Å; R115-I117 PolarHBondContact O-N 2.87Å; I117-L125 HydrophobicContact CG2-CD1 3.7Å; I117-L125 HydrophobicContact CG2-CG 4.42Å; I117-Q126 CarbonylContact C-O 3.52Å; I117-Q126 VanDerWaalsContact CA-O 3.3Å; I117-Q126 WeakPolarHBondContact CA-O 3.33Å; I117-I127 HydrophobicContact CD1-CG1 4.38Å; I117-I127 HydrophobicContact CD1-CG2 4.37Å; I117-I127 HydrophobicContact CG1-CB 4.34Å; I117-I127 HydrophobicContact CG1-CG1 4.14Å; I117-I127 HydrophobicContact CG1-CG2 4.11Å; I117-I127 HydrophobicContact CG2-CG1 4.32Å |
| 118 | N | 91.7 | Very high | 89 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 158.3 | -176.6 | -164.9 | 9.9 | 0 | 0 | 0 | 111.8 | I120 Q126 | N118-I120 HydrophobicContact CB-CD1 4.38Å; N118-I120 HydrophobicContact CB-CG1 4.15Å; N118-Q126 PolarHBondContact N-O 2.92Å; N118-Q126 PolarHBondContact O-N 3.37Å |
| 119 | I | 92.8 | Very high | 89 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 98.6 | 176 | -53.9 | 172.2 | 0 | 0 | 0 | 109.3 | V52 K101 V106 D124 L125 | V52-I119 HydrophobicContact CG1-CG2 4.49Å; K101-I119 HydrophobicContact CB-CB 4.13Å; K101-I119 HydrophobicContact CB-CD1 3.97Å; K101-I119 HydrophobicContact CB-CG2 3.99Å; K101-I119 HydrophobicContact CD-CB 3.99Å; K101-I119 HydrophobicContact CD-CG2 3.57Å; K101-I119 HydrophobicContact CG-CG2 4.46Å; K101-I119 PolarHBondContact NZ-O 3.47Å; V106-I119 HydrophobicContact CG1-CB 4.15Å; V106-I119 HydrophobicContact CG1-CD1 4.23Å; V106-I119 HydrophobicContact CG1-CG1 4.1Å; V106-I119 HydrophobicContact CG2-CB 4.21Å; I119-D124 CarbonylContact C-O 3.58Å; I119-D124 WeakPolarHBondContact CA-O 3.37Å; I119-L125 HydrophobicContact CG1-CD1 3.92Å |
| 120 | I | 90.1 | Very high | 89 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 26% | 0.256 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 171.9 | -168.5 | -56.5 | -176 | 0 | 0 | 0 | 109.9 | N118 K122 D124 Q126 | N118-I120 HydrophobicContact CB-CD1 4.38Å; N118-I120 HydrophobicContact CB-CG1 4.15Å; I120-K122 CarbonylContact O-C 3.5Å; I120-K122 PolarHBondContact O-N 3.04Å; I120-D124 PolarHBondContact N-O 3.16Å; I120-D124 PolarHBondContact O-N 3.01Å; I120-D124 VanDerWaalsContact O-N 3.16Å; I120-Q126 HydrophobicContact CD1-CB 3.72Å; I120-Q126 HydrophobicContact CD1-CG 4.24Å; I120-Q126 HydrophobicContact CG1-CB 4.3Å |
| 121 | N | 89 | Confident | 89.1 | Confident | 123 Ų | 123 | 54 Ų | 54 | 66% | 0.658 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | -121.9 | 178 | -59.2 | -29.2 | 0 | 0 | 0 | 111.9 | K101 D124 | K101-N121 PolarHBondContact NZ-O 2.81Å; N121-D124 WeakPolarHBondContact CB-OD2 3.25Å; N121-D124 PolarHBondContact ND2-OD2 3.44Å |
| 122 | K | 86.1 | Confident | 88.8 | Confident | 126 Ų | 126 | 56.5 Ų | 56.5 | 55% | 0.548 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -72.8 | 168.4 | -66.6 | -179.3 | 179.2 | 178.8 | 0 | 110 | Y42 K101 I120 | Y42-K122 HydrophobicContact CD1-CB 4.44Å; Y42-K122 HydrophobicContact CE1-CB 3.8Å; K101-K122 WeakPolarHBondContact CE-O 3.41Å; K101-K122 PolarHBondContact NZ-O 3.45Å; I120-K122 CarbonylContact O-C 3.5Å; I120-K122 PolarHBondContact O-N 3.04Å |
| 123 | A | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 10.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C40 Y42 V52 W54 L125 | C40-A123 HydrophobicContact CB-CB 3.92Å; C40-A123 WeakPolarHBondContact O-CB 3.37Å; Y42-A123 HydrophobicContact CD1-CB 3.87Å; Y42-A123 HydrophobicContact CE1-CB 3.92Å; V52-A123 HydrophobicContact CB-CB 4.32Å; V52-A123 HydrophobicContact CG1-CB 3.52Å; V52-A123 HydrophobicContact CG2-CB 3.83Å; W54-A123 WeakPolarHBondContact CZ2-O 3.34Å; W54-A123 PolarHBondContact NE1-O 2.98Å; A123-L125 PolarHBondContact O-N 3.12Å |
| 124 | D | 94.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 126.1 | -173.2 | -60.9 | -42.2 | 0 | 0 | 0 | 112.2 | T37 L38 N39 C40 I119 I120 N121 | T37-D124 HydrophobicContact CG2-CB 3.92Å; L38-D124 WeakPolarHBondContact O-CA 3.27Å; N39-D124 VanDerWaalsContact CA-OD1 3.22Å; N39-D124 WeakPolarHBondContact CA-OD1 3.33Å; C40-D124 PolarHBondContact N-OD1 2.8Å; I119-D124 CarbonylContact C-O 3.58Å; I119-D124 WeakPolarHBondContact CA-O 3.37Å; I120-D124 PolarHBondContact N-O 3.16Å; I120-D124 PolarHBondContact O-N 3.01Å; I120-D124 VanDerWaalsContact O-N 3.16Å; N121-D124 WeakPolarHBondContact CB-OD2 3.25Å; N121-D124 PolarHBondContact ND2-OD2 3.44Å |
| 125 | L | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 108.5 | 178.3 | -176.8 | 73.3 | 0 | 0 | 0 | 110.7 | T37 L38 W54 V98 I117 I119 A123 I127 Y138 | T37-L125 CarbonylContact C-O 3.51Å; T37-L125 WeakPolarHBondContact CA-O 3.32Å; L38-L125 HydrophobicContact CB-CB 4.33Å; L38-L125 HydrophobicContact CD1-CD2 4.16Å; L38-L125 PolarHBondContact N-O 3.5Å; L38-L125 PolarHBondContact O-N 3.24Å; W54-L125 HydrophobicContact CB-CD1 4.48Å; W54-L125 HydrophobicContact CB-CD2 4.37Å; W54-L125 HydrophobicContact CD2-CB 3.91Å; W54-L125 HydrophobicContact CD2-CD2 4.1Å; W54-L125 HydrophobicContact CD2-CG 4.5Å; W54-L125 HydrophobicContact CE3-CD2 4.28Å; W54-L125 HydrophobicContact CG-CB 4.15Å; W54-L125 HydrophobicContact CG-CD1 4.25Å; W54-L125 HydrophobicContact CG-CD2 4.17Å; W54-L125 HydrophobicContact CG-CG 4.44Å; W54-L125 HydrophobicContact CH2-CB 4.5Å; W54-L125 HydrophobicContact CZ2-CB 3.85Å; V98-L125 HydrophobicContact CG1-CD1 4.09Å; V98-L125 HydrophobicContact CG1-CD2 4.12Å; I117-L125 HydrophobicContact CG2-CD1 3.7Å; I117-L125 HydrophobicContact CG2-CG 4.42Å; I119-L125 HydrophobicContact CG1-CD1 3.92Å; A123-L125 PolarHBondContact O-N 3.12Å; L125-I127 HydrophobicContact CD2-CD1 4.26Å; L125-I127 HydrophobicContact CD2-CG1 4.4Å; L125-I127 HydrophobicContact CG-CG1 4.35Å; L125-Y138 HydrophobicContact CD2-CD1 3.65Å; L125-Y138 HydrophobicContact CD2-CE1 3.82Å |
| 126 | Q | 94.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.7 | 171.2 | -178.6 | 173.4 | 89.4 | 0 | 0 | 110.8 | I117 N118 I120 | I117-Q126 CarbonylContact C-O 3.52Å; I117-Q126 VanDerWaalsContact CA-O 3.3Å; I117-Q126 WeakPolarHBondContact CA-O 3.33Å; N118-Q126 PolarHBondContact N-O 2.92Å; N118-Q126 PolarHBondContact O-N 3.37Å; I120-Q126 HydrophobicContact CD1-CB 3.72Å; I120-Q126 HydrophobicContact CD1-CG 4.24Å; I120-Q126 HydrophobicContact CG1-CB 4.3Å |
| 127 | I | 93.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.3 | 171 | -56.8 | 170 | 0 | 0 | 0 | 105.9 | P35 V36 I117 L125 Y138 L158 | P35-I127 WeakPolarHBondContact CA-O 3.37Å; V36-I127 HydrophobicContact CG1-CB 3.87Å; V36-I127 HydrophobicContact CG1-CD1 4.24Å; V36-I127 HydrophobicContact CG1-CG1 4.45Å; V36-I127 PolarHBondContact N-O 2.88Å; V36-I127 PolarHBondContact O-N 3.07Å; V36-I127 VanDerWaalsContact O-O 3.08Å; I117-I127 HydrophobicContact CD1-CG1 4.38Å; I117-I127 HydrophobicContact CD1-CG2 4.37Å; I117-I127 HydrophobicContact CG1-CB 4.34Å; I117-I127 HydrophobicContact CG1-CG1 4.14Å; I117-I127 HydrophobicContact CG1-CG2 4.11Å; I117-I127 HydrophobicContact CG2-CG1 4.32Å; L125-I127 HydrophobicContact CD2-CD1 4.26Å; L125-I127 HydrophobicContact CD2-CG1 4.4Å; L125-I127 HydrophobicContact CG-CG1 4.35Å; I127-Y138 HydrophobicContact CD1-CE1 4.06Å; I127-L158 HydrophobicContact CD1-CD2 4.01Å |
| 128 | S | 91.3 | Very high | 89.5 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -81 | -27.7 | -172.8 | 77.1 | 0 | 0 | 0 | 0 | 114.6 | P35 K116 | P35-S128 WeakPolarHBondContact CA-O 3.46Å; P35-S128 WeakPolarHBondContact CB-O 3.18Å; K116-S128 WeakPolarHBondContact CB-OG 3.42Å; K116-S128 WeakPolarHBondContact CD-OG 3.49Å; K116-S128 PolarHBondContact O-N 2.86Å; K116-S128 VanDerWaalsContact O-N 3.1Å |
| 129 | D | 90.9 | Very high | 89.6 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 32% | 0.316 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -132.7 | 74.8 | -170.5 | -58.4 | 16.4 | 0 | 0 | 0 | 109 | K116 Q131 | K116-D129 IonicContact NZ-OD1 2.76Å; K116-D129 PolarHBondContact NZ-OD1 2.65Å; K116-D129 IonicContact NZ-OD2 3.64Å; K116-D129 PolarHBondContact NZ-OD2 3.27Å; D129-Q131 VanDerWaalsContact O-CG 3.29Å; D129-Q131 WeakPolarHBondContact O-CG 3.29Å; D129-Q131 PolarHBondContact O-N 3.05Å |
| 130 | A | 90.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -60.2 | 130.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V30 F33 Q34 V160 | V30-A130 HydrophobicContact CG2-CB 4.07Å; F33-A130 PolarHBondContact N-O 2.73Å; Q34-A130 VanDerWaalsContact O-CB 3.23Å; Q34-A130 WeakPolarHBondContact O-CB 3.36Å; Q34-A130 PolarHBondContact O-N 3.42Å; Q34-A130 VanDerWaalsContact O-N 3.16Å; A130-V160 HydrophobicContact CB-CG2 4.27Å | ||
| 131 | Q | 87.9 | Confident | 89.8 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | trans | -115.1 | 157.2 | -172.6 | -58.6 | -166 | -6.4 | 0 | 0 | 114.9 | R115 D129 G133 E134 | R115-Q131 VanDerWaalsContact CZ-OE1 3.23Å; R115-Q131 VanDerWaalsContact NH1-CD 3.32Å; D129-Q131 VanDerWaalsContact O-CG 3.29Å; D129-Q131 WeakPolarHBondContact O-CG 3.29Å; D129-Q131 PolarHBondContact O-N 3.05Å; Q131-G133 PolarHBondContact O-N 3.17Å; Q131-E134 HydrophobicContact CB-CG 4.4Å; Q131-E134 PolarHBondContact N-OE2 3.24Å; Q131-E134 WeakPolarHBondContact O-CB 3.42Å; Q131-E134 PolarHBondContact O-N 3.19Å | ||
| 132 | W | 75.8 | Confident | 90 | Very high | 152 Ų | 152 | 31.4 Ų | 31.4 | 58% | 0.576 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 124.3 | 160.2 | -67 | 113.2 | 0 | 0 | 0 | 110.9 | L32 E162 | L32-W132 HydrophobicContact CD1-CB 4.49Å; L32-W132 HydrophobicContact CD1-CD2 4.24Å; L32-W132 HydrophobicContact CD1-CG 3.77Å; L32-W132 VanDerWaalsContact CD2-NE1 3.3Å; W132-E162 HydrophobicContact CH2-CB 3.5Å; W132-E162 VanDerWaalsContact CH2-CB 3.5Å; W132-E162 HydrophobicContact CH2-CG 3.72Å; W132-E162 HydrophobicContact CZ2-CB 3.85Å; W132-E162 HydrophobicContact CZ2-CG 3.64Å; W132-E162 WeakPolarHBondContact CZ2-OE1 3.29Å; W132-E162 HydrophobicContact CZ3-CB 4.35Å |
| 133 | G | 81.1 | Confident | 90.1 | Very high | 48 Ų | 48 | 29.3 Ų | 29.3 | 50% | 0.495 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -0.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y56 Q131 S135 | Y56-G133 PolarHBondContact OH-O 2.91Å; Q131-G133 PolarHBondContact O-N 3.17Å; G133-S135 VanDerWaalsContact C-N 3.33Å |
| 134 | E | 85.9 | Confident | 90 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | trans | -91.6 | 2.5 | 163.2 | -66.8 | -179.5 | 150.5 | 0 | 0 | 112.2 | R115 Q131 G136 Y138 | R115-E134 IonicContact CZ-OE1 3.38Å; R115-E134 IonicContact NE-OE1 3.51Å; R115-E134 IonicContact NH1-OE1 2.97Å; R115-E134 PolarHBondContact NH1-OE1 2.88Å; R115-E134 IonicContact NH1-OE2 3.3Å; Q131-E134 HydrophobicContact CB-CG 4.4Å; Q131-E134 PolarHBondContact N-OE2 3.24Å; Q131-E134 WeakPolarHBondContact O-CB 3.42Å; Q131-E134 PolarHBondContact O-N 3.19Å; E134-G136 PolarHBondContact O-N 2.74Å; E134-Y138 WeakPolarHBondContact O-CE2 3.41Å; E134-Y138 PolarHBondContact O-OH 2.98Å | ||
| 135 | S | 87.6 | Confident | 89.4 | Confident | 42 Ų | 42 | 33.2 Ų | 33.2 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | trans | -72.4 | 111.5 | 172.9 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | Y56 G133 L158 | Y56-S135 PolarHBondContact OH-O 3.39Å; G133-S135 VanDerWaalsContact C-N 3.33Å; S135-L158 CarbonylContact C-O 3.57Å; S135-L158 VanDerWaalsContact CA-O 3.25Å; S135-L158 WeakPolarHBondContact CA-O 3.42Å | ||
| 136 | G | 88.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -165.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y59 E134 L158 | Y59-G136 VanDerWaalsContact CE2-CA 3.46Å; Y59-G136 PolarHBondContact OH-O 3.42Å; E134-G136 PolarHBondContact O-N 2.74Å; G136-L158 PolarHBondContact N-O 3.48Å; G136-L158 PolarHBondContact O-N 3.49Å |
| 137 | V | 90.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.2 | 178.4 | -165.4 | 0 | 0 | 0 | 0 | 109.7 | K57 Y59 N86 F139 F155 T156 | K57-V137 HydrophobicContact CB-CB 4.48Å; K57-V137 PolarHBondContact N-O 3.38Å; K57-V137 PolarHBondContact O-N 2.96Å; Y59-V137 HydrophobicContact CD1-CG2 3.93Å; Y59-V137 HydrophobicContact CE1-CG2 3.73Å; N86-V137 VanDerWaalsContact OD1-CG2 3.22Å; N86-V137 WeakPolarHBondContact OD1-CG2 3.37Å; V137-F139 HydrophobicContact CB-CD2 4.45Å; V137-F139 HydrophobicContact CB-CE2 3.96Å; V137-F139 HydrophobicContact CG1-CD2 3.91Å; V137-F139 HydrophobicContact CG1-CE2 3.39Å; V137-F139 HydrophobicContact CG1-CZ 4.22Å; V137-F155 HydrophobicContact CG1-CB 3.79Å; V137-F155 HydrophobicContact CG1-CD2 3.88Å; V137-F155 HydrophobicContact CG1-CG 4.19Å; V137-T156 CarbonylContact C-O 3.57Å; V137-T156 WeakPolarHBondContact CA-O 3.26Å |
| 138 | Y | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117.3 | 179.4 | -75.3 | -106.9 | 0 | 0 | 0 | 109.4 | L38 Y56 V98 L125 I127 E134 F155 T156 L158 | L38-Y138 HydrophobicContact CD1-CD1 3.64Å; L38-Y138 HydrophobicContact CD1-CD2 3.87Å; L38-Y138 HydrophobicContact CD1-CE1 4.24Å; L38-Y138 HydrophobicContact CD1-CE2 4.46Å; L38-Y138 HydrophobicContact CD1-CG 3.42Å; L38-Y138 VanDerWaalsContact CD1-CG 3.42Å; Y56-Y138 HydrophobicContact CD2-CD2 4.15Å; Y56-Y138 HydrophobicContact CD2-CE1 4.2Å; Y56-Y138 AromaticContact CD2-CE2 3.58Å; Y56-Y138 HydrophobicContact CD2-CE2 3.58Å; Y56-Y138 AromaticContact CD2-CZ 3.62Å; Y56-Y138 HydrophobicContact CE2-CE2 4.02Å; V98-Y138 HydrophobicContact CG2-CD1 4.22Å; V98-Y138 HydrophobicContact CG2-CE1 3.94Å; L125-Y138 HydrophobicContact CD2-CD1 3.65Å; L125-Y138 HydrophobicContact CD2-CE1 3.82Å; I127-Y138 HydrophobicContact CD1-CE1 4.06Å; E134-Y138 WeakPolarHBondContact O-CE2 3.41Å; E134-Y138 PolarHBondContact O-OH 2.98Å; Y138-F155 CarbonylContact O-C 3.5Å; Y138-F155 WeakPolarHBondContact O-CA 2.99Å; Y138-T156 PolarHBondContact N-O 2.95Å; Y138-T156 PolarHBondContact O-N 3.19Å; Y138-T156 PolarHBondContact O-OG1 2.94Å; Y138-L158 HydrophobicContact CD2-CB 3.88Å; Y138-L158 HydrophobicContact CE2-CB 3.73Å; Y138-L158 HydrophobicContact CE2-CD2 3.74Å; Y138-L158 HydrophobicContact CE2-CG 4.33Å |
| 139 | F | 92.8 | Very high | 86.5 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 116.1 | 177.6 | -75 | -113.4 | 0 | 0 | 0 | 109.4 | W54 K55 K57 V137 T141 K154 F155 | W54-F139 WeakPolarHBondContact CA-O 3.47Å; K55-F139 HydrophobicContact CB-CB 4.35Å; K55-F139 PolarHBondContact N-O 2.84Å; K55-F139 PolarHBondContact O-N 2.9Å; K57-F139 HydrophobicContact CB-CD2 4.34Å; K57-F139 HydrophobicContact CB-CE2 4.23Å; K57-F139 HydrophobicContact CD-CD2 3.71Å; K57-F139 HydrophobicContact CD-CE2 3.5Å; K57-F139 HydrophobicContact CD-CG 4.46Å; K57-F139 HydrophobicContact CD-CZ 4.1Å; K57-F139 HydrophobicContact CG-CD2 4.32Å; K57-F139 HydrophobicContact CG-CE2 4.35Å; V137-F139 HydrophobicContact CB-CD2 4.45Å; V137-F139 HydrophobicContact CB-CE2 3.96Å; V137-F139 HydrophobicContact CG1-CD2 3.91Å; V137-F139 HydrophobicContact CG1-CE2 3.39Å; V137-F139 HydrophobicContact CG1-CZ 4.22Å; F139-T141 HydrophobicContact CB-CG2 4.23Å; F139-K154 CarbonylContact C-O 3.56Å; F139-K154 WeakPolarHBondContact CA-O 3.45Å; F139-F155 HydrophobicContact CD1-CB 4.03Å; F139-F155 HydrophobicContact CD2-CB 4.09Å; F139-F155 HydrophobicContact CE1-CB 3.89Å; F139-F155 HydrophobicContact CE2-CB 3.96Å; F139-F155 HydrophobicContact CG-CB 4.12Å; F139-F155 HydrophobicContact CZ-CB 3.85Å; F139-F155 HydrophobicContact CZ-CG 4.48Å |
| 140 | C | 94.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.5 | 164.2 | -171.4 | 0 | 0 | 0 | 0 | 107.7 | V21 C40 W54 E153 K154 | V21-C140 HydrophobicContact CG1-CB 4.31Å; C40-C140 HydrophobicContact CB-CB 3.74Å; C40-C140 WeakPolarHBondContact CB-SG 3.5Å; C40-C140 WeakPolarHBondContact SG-CB 3.35Å; C40-C140 CovalentContact SG-SG 2.04Å; C40-C140 PolarHBondContact SG-SG 3Å; W54-C140 HydrophobicContact CD2-CB 4.19Å; W54-C140 HydrophobicContact CE3-CB 4.07Å; W54-C140 HydrophobicContact CH2-CB 3.75Å; W54-C140 HydrophobicContact CZ2-CB 3.84Å; W54-C140 HydrophobicContact CZ3-CB 3.84Å; C140-E153 WeakPolarHBondContact O-CA 3.41Å; C140-K154 PolarHBondContact N-O 2.7Å; C140-K154 PolarHBondContact O-N 3.26Å |
| 141 | T | 93.1 | Very high | 85.6 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.5 | 178 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | T53 K55 F139 N152 E153 | T53-T141 PolarHBondContact N-O 3.38Å; T53-T141 PolarHBondContact O-N 3.45Å; T53-T141 PolarHBondContact O-OG1 3.4Å; K55-T141 HydrophobicContact CD-CG2 4.16Å; K55-T141 VanDerWaalsContact CE-OG1 3.26Å; K55-T141 WeakPolarHBondContact CE-OG1 3.2Å; K55-T141 PolarHBondContact NZ-OG1 2.92Å; K55-T141 VanDerWaalsContact NZ-OG1 3.16Å; F139-T141 HydrophobicContact CB-CG2 4.23Å; T141-N152 WeakPolarHBondContact CA-O 2.98Å; T141-E153 HydrophobicContact CG2-CB 3.6Å |
| 142 | V | 92.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.6 | -173.4 | -170 | 0 | 0 | 0 | 0 | 109.3 | I19 V21 Y42 P50 I51 V52 N152 | I19-V142 HydrophobicContact CD1-CB 4.04Å; I19-V142 HydrophobicContact CD1-CG1 3.76Å; V21-V142 HydrophobicContact CG1-CG2 4.3Å; V21-V142 HydrophobicContact CG2-CB 3.76Å; V21-V142 HydrophobicContact CG2-CG2 3.66Å; Y42-V142 HydrophobicContact CD1-CG1 4.15Å; Y42-V142 HydrophobicContact CD1-CG2 4.05Å; Y42-V142 HydrophobicContact CD2-CG1 4.24Å; Y42-V142 HydrophobicContact CE1-CG1 4.4Å; Y42-V142 HydrophobicContact CG-CG1 4.06Å; Y42-V142 HydrophobicContact CG-CG2 4.3Å; P50-V142 HydrophobicContact CB-CG1 3.84Å; P50-V142 HydrophobicContact CG-CG1 3.87Å; I51-V142 WeakPolarHBondContact O-CA 3.49Å; V52-V142 HydrophobicContact CG1-CG2 4.45Å; V52-V142 HydrophobicContact CG2-CG1 4.07Å; V52-V142 HydrophobicContact CG2-CG2 4.18Å; V142-N152 PolarHBondContact N-O 3.1Å; V142-N152 WeakPolarHBondContact O-CB 3.23Å |
| 143 | V | 90.2 | Very high | 86.4 | Confident | 81 Ų | 81 | 41.5 Ų | 41.5 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.9 | -174 | -176.4 | 0 | 0 | 0 | 0 | 110 | P50 I51 | P50-V143 WeakPolarHBondContact CA-O 3.47Å; P50-V143 WeakPolarHBondContact CB-O 3.45Å; I51-V143 PolarHBondContact N-O 3.05Å; I51-V143 PolarHBondContact O-N 3.02Å |
| 144 | S | 88.5 | Confident | 87 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | trans | -96.3 | 157.1 | 169.7 | 179 | 0 | 0 | 0 | 0 | 110.9 | A46 T146 D147 | A46-S144 WeakPolarHBondContact CB-OG 3.4Å; S144-T146 PolarHBondContact OG-N 2.81Å; S144-T146 PolarHBondContact OG-OG1 2.99Å; S144-D147 PolarHBondContact OG-N 2.88Å | ||
| 145 | S | 82.3 | Confident | 87.2 | Confident | 88 Ų | 88 | 47.3 Ų | 47.3 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -83.5 | -17.2 | 170.8 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 146 | T | 81.7 | Confident | 87.4 | Confident | 70 Ų | 70 | 45.3 Ų | 45.3 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -108.1 | -37 | 178.8 | 56 | 0 | 0 | 0 | 0 | 112.3 | A46 S144 I148 | A46-T146 WeakPolarHBondContact CA-OG1 3.31Å; A46-T146 WeakPolarHBondContact CB-OG1 3.38Å; S144-T146 PolarHBondContact OG-N 2.81Å; S144-T146 PolarHBondContact OG-OG1 2.99Å; T146-I148 PolarHBondContact O-N 3.04Å |
| 147 | D | 79 | Confident | 87.5 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | trans | -103.3 | 89.7 | -169.8 | -57.3 | 11.8 | 0 | 0 | 0 | 109.1 | I19 T44 S45 A46 S144 | I19-D147 HydrophobicContact CB-CB 4.13Å; I19-D147 WeakPolarHBondContact CG2-O 3.31Å; T44-D147 WeakPolarHBondContact CA-OD2 3.43Å; T44-D147 WeakPolarHBondContact CB-OD2 3.37Å; T44-D147 PolarHBondContact OG1-OD2 3.08Å; S45-D147 WeakPolarHBondContact CA-OD2 3.46Å; S45-D147 PolarHBondContact N-OD2 2.93Å; S45-D147 VanDerWaalsContact OG-CG 3.23Å; S45-D147 PolarHBondContact OG-OD1 2.87Å; S45-D147 PolarHBondContact OG-OD2 2.87Å; A46-D147 PolarHBondContact N-OD2 2.87Å; S144-D147 PolarHBondContact OG-N 2.88Å | ||
| 148 | I | 76.5 | Confident | 87.5 | Confident | 142 Ų | 142 | 46 Ų | 46 | 73% | 0.728 | 26% | 0.262 | S | S | * | . | trans | -103.3 | -14.9 | -176.7 | -49.7 | 179 | 0 | 0 | 0 | 111.3 | T146 | T146-I148 PolarHBondContact O-N 3.04Š| ||
| 149 | S | 73 | Confident | 87.3 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 160 | 172.8 | 84.1 | 0 | 0 | 0 | 0 | 111.4 | L17 A18 I19 | L17-S149 PolarHBondContact O-OG 3.38Å; A18-S149 CarbonylContact C-O 3.55Å; A18-S149 VanDerWaalsContact CA-O 3.29Å; A18-S149 WeakPolarHBondContact CA-O 3.45Å; A18-S149 WeakPolarHBondContact CA-OG 3.38Å; I19-S149 WeakPolarHBondContact CG2-O 3.22Å; I19-S149 PolarHBondContact N-O 2.64Å |
| 150 | G | 77.7 | Confident | 87.2 | Confident | 54 Ų | 54 | 45.9 Ų | 45.9 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 96.7 | -173.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I19 N152 | I19-G150 CarbonylContact O-C 3.32Å; I19-G150 WeakPolarHBondContact O-CA 2.9Å; G150-N152 PolarHBondContact O-N 3.16Å |
| 151 | N | 85.9 | Confident | 86.8 | Confident | 69 Ų | 69 | 49 Ų | 49 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 93 | -177.4 | -178.3 | 70.3 | 0 | 0 | 0 | 110.9 | I19 V21 E153 | I19-N151 CarbonylContact O-C 3.52Å; I19-N151 PolarHBondContact O-N 2.73Å; V21-N151 PolarHBondContact N-O 2.88Å; N151-E153 VanDerWaalsContact C-N 3.34Å; N151-E153 PolarHBondContact ND2-O 3.01Å; N151-E153 PolarHBondContact O-N 3.17Å; N151-E153 PolarHBondContact OD1-O 3.19Å |
| 152 | N | 89.1 | Confident | 86.2 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | trans | -82.6 | -0.8 | -175.3 | 70.4 | -5.8 | 0 | 0 | 0 | 115.3 | I19 V21 T141 V142 G150 | I19-N152 HydrophobicContact CG2-CB 3.82Å; V21-N152 WeakPolarHBondContact CG2-O 3.24Å; T141-N152 WeakPolarHBondContact CA-O 2.98Å; V142-N152 PolarHBondContact N-O 3.1Å; V142-N152 WeakPolarHBondContact O-CB 3.23Å; G150-N152 PolarHBondContact O-N 3.16Å | ||
| 153 | E | 91.4 | Very high | 84.8 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 145.5 | 175.8 | 63.7 | 173.9 | -164.9 | 0 | 0 | 114.8 | C140 T141 N151 | C140-E153 WeakPolarHBondContact O-CA 3.41Å; T141-E153 HydrophobicContact CG2-CB 3.6Å; N151-E153 VanDerWaalsContact C-N 3.34Å; N151-E153 PolarHBondContact ND2-O 3.01Å; N151-E153 PolarHBondContact O-N 3.17Å; N151-E153 PolarHBondContact OD1-O 3.19Å |
| 154 | K | 92.1 | Very high | 83 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 39% | 0.391 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 149.8 | 172.4 | -150.6 | 72.7 | 176.9 | -171.7 | 0 | 110.9 | V21 C23 F139 C140 | V21-K154 HydrophobicContact CB-CB 4.4Å; V21-K154 HydrophobicContact CG1-CB 3.9Å; C23-K154 HydrophobicContact CB-CG 4.18Å; F139-K154 CarbonylContact C-O 3.56Å; F139-K154 WeakPolarHBondContact CA-O 3.45Å; C140-K154 PolarHBondContact N-O 2.7Å; C140-K154 PolarHBondContact O-N 3.26Å |
| 155 | F | 90.7 | Very high | 81.1 | Confident | 85 Ų | 85 | 69 Ų | 69 | 37% | 0.373 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 149.8 | -178.2 | 74.9 | -94.1 | 0 | 0 | 0 | 112.4 | V137 Y138 F139 | V137-F155 HydrophobicContact CG1-CB 3.79Å; V137-F155 HydrophobicContact CG1-CD2 3.88Å; V137-F155 HydrophobicContact CG1-CG 4.19Å; Y138-F155 CarbonylContact O-C 3.5Å; Y138-F155 WeakPolarHBondContact O-CA 2.99Å; F139-F155 HydrophobicContact CD1-CB 4.03Å; F139-F155 HydrophobicContact CD2-CB 4.09Å; F139-F155 HydrophobicContact CE1-CB 3.89Å; F139-F155 HydrophobicContact CE2-CB 3.96Å; F139-F155 HydrophobicContact CG-CB 4.12Å; F139-F155 HydrophobicContact CZ-CB 3.85Å; F139-F155 HydrophobicContact CZ-CG 4.48Å |
| 156 | T | 92.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.5 | 167.8 | 58.3 | 0 | 0 | 0 | 0 | 109.2 | C23 T25 K26 Y28 V137 Y138 | C23-T156 HydrophobicContact CB-CG2 3.43Å; C23-T156 VanDerWaalsContact CB-CG2 3.43Å; T25-T156 VanDerWaalsContact O-CG2 3.31Å; T25-T156 WeakPolarHBondContact O-CG2 3.48Å; K26-T156 CarbonylContact O-C 3.6Å; K26-T156 WeakPolarHBondContact O-CA 3.41Å; Y28-T156 HydrophobicContact CE2-CG2 4.47Å; V137-T156 CarbonylContact C-O 3.57Å; V137-T156 WeakPolarHBondContact CA-O 3.26Å; Y138-T156 PolarHBondContact N-O 2.95Å; Y138-T156 PolarHBondContact O-N 3.19Å; Y138-T156 PolarHBondContact O-OG1 2.94Å |
| 157 | E | 90.7 | Very high | 77.5 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.8 | 174.1 | -62.6 | 179.7 | 161.5 | 0 | 0 | 110 | K26 R27 Y28 N86 | K26-E157 PolarHBondContact O-N 3.28Å; R27-E157 CarbonylContact C-O 3.6Å; R27-E157 WeakPolarHBondContact CA-O 3.38Å; R27-E157 HydrophobicContact CB-CB 4.3Å; R27-E157 HydrophobicContact CG-CB 4.28Å; R27-E157 IonicContact CZ-OE2 2.96Å; R27-E157 IonicContact NE-OE2 3.61Å; R27-E157 PolarHBondContact NE-OE2 3.33Å; R27-E157 IonicContact NH2-OE1 3.96Å; R27-E157 IonicContact NH2-OE2 3.57Å; R27-E157 PolarHBondContact NH2-OE2 2.87Å; Y28-E157 PolarHBondContact N-O 3.47Å; N86-E157 PolarHBondContact ND2-OE1 3.03Å |
| 158 | L | 91.3 | Very high | 75.9 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.7 | 170.6 | 178.2 | 60.8 | 0 | 0 | 0 | 109.1 | V30 V36 L38 Y59 I127 S135 G136 Y138 V160 | V30-L158 HydrophobicContact CG1-CD1 4.4Å; V30-L158 HydrophobicContact CG2-CD1 3.79Å; V36-L158 HydrophobicContact CG1-CD1 4.21Å; V36-L158 HydrophobicContact CG1-CD2 4.22Å; V36-L158 HydrophobicContact CG2-CD1 4.14Å; L38-L158 HydrophobicContact CD2-CD1 4.34Å; Y59-L158 PolarHBondContact OH-O 2.99Å; I127-L158 HydrophobicContact CD1-CD2 4.01Å; S135-L158 CarbonylContact C-O 3.57Å; S135-L158 VanDerWaalsContact CA-O 3.25Å; S135-L158 WeakPolarHBondContact CA-O 3.42Å; G136-L158 PolarHBondContact N-O 3.48Å; G136-L158 PolarHBondContact O-N 3.49Å; Y138-L158 HydrophobicContact CD2-CB 3.88Å; Y138-L158 HydrophobicContact CE2-CB 3.73Å; Y138-L158 HydrophobicContact CE2-CD2 3.74Å; Y138-L158 HydrophobicContact CE2-CG 4.33Å; L158-V160 HydrophobicContact CG-CG2 4.34Å |
| 159 | I | 89.4 | Confident | 74.3 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 9% | 0.092 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 110.3 | 175.6 | -57.9 | 176.1 | 0 | 0 | 0 | 108 | R27 Y28 V29 V30 Y59 P63 L161 | R27-I159 HydrophobicContact CG-CD1 4.35Å; Y28-I159 PolarHBondContact O-N 2.8Å; V29-I159 WeakPolarHBondContact CA-O 3.26Å; V29-I159 HydrophobicContact CG2-CB 4.44Å; V30-I159 PolarHBondContact N-O 3.22Å; Y59-I159 WeakPolarHBondContact OH-CG1 3.38Å; P63-I159 HydrophobicContact CG-CD1 4.41Å; I159-L161 HydrophobicContact CG2-CD2 3.77Å; I159-L161 HydrophobicContact CG2-CG 4.23Å |
| 160 | V | 90.2 | Very high | 73.1 | Confident | 12 Ų | 12 | 82.3 Ų | 82.3 | 7% | 0.073 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118 | 171.5 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | V30 L32 A130 L158 | V30-V160 HydrophobicContact CG2-CG2 4.18Å; V30-V160 CarbonylContact O-C 3.56Å; V30-V160 WeakPolarHBondContact O-CA 3.22Å; L32-V160 HydrophobicContact CD1-CG1 4.29Å; A130-V160 HydrophobicContact CB-CG2 4.27Å; L158-V160 HydrophobicContact CG-CG2 4.34Å |
| 161 | L | 86.5 | Confident | 71.4 | Confident | 66 Ų | 66 | 86 Ų | 86 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 142.4 | 178.4 | -64.9 | -178.8 | 0 | 0 | 0 | 111.6 | V29 V30 L32 I64 I159 | V29-L161 HydrophobicContact CG1-CD1 3.44Å; V29-L161 VanDerWaalsContact CG1-CD1 3.44Å; V29-L161 HydrophobicContact CG1-CG 3.91Å; V30-L161 PolarHBondContact O-N 2.84Å; L32-L161 PolarHBondContact N-O 3.01Å; L32-L161 VanDerWaalsContact N-O 3.07Å; I64-L161 HydrophobicContact CD1-CD2 3.98Å; I159-L161 HydrophobicContact CG2-CD2 3.77Å; I159-L161 HydrophobicContact CG2-CG 4.23Å |
| 162 | E | 78.9 | Confident | 69.5 | Low | 97 Ų | 97 | 89.2 Ų | 89.2 | 45% | 0.453 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 134.4 | 161.7 | -165.3 | 171.9 | -142.5 | 0 | 0 | 109.4 | W132 K164 | W132-E162 HydrophobicContact CH2-CB 3.5Å; W132-E162 VanDerWaalsContact CH2-CB 3.5Å; W132-E162 HydrophobicContact CH2-CG 3.72Å; W132-E162 HydrophobicContact CZ2-CB 3.85Å; W132-E162 HydrophobicContact CZ2-CG 3.64Å; W132-E162 WeakPolarHBondContact CZ2-OE1 3.29Å; W132-E162 HydrophobicContact CZ3-CB 4.35Å; E162-K164 HydrophobicContact CB-CB 4.34Å; E162-K164 HydrophobicContact CG-CB 4.17Å; E162-K164 PolarHBondContact O-N 3.43Å |
| 163 | R | 64.7 | Low | 67.4 | Low | 166 Ų | 166 | 89.4 Ų | 89.4 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | trans | -74.3 | 75.4 | 156.9 | -172.8 | -178.1 | -69.3 | 179 | -5.4 | 108.1 | M31 T165 | M31-R163 PolarHBondContact SD-NH2 2.82Å; R163-T165 HydrophobicContact CG-CG2 4.24Å; R163-T165 PolarHBondContact O-N 2.96Å | ||
| 164 | K | 51.3 | Low | 65.3 | Low | 150 Ų | 150 | 90 Ų | 90 | 65% | 0.652 | 49% | 0.486 | S | S | * | . | trans | -75.3 | 95.2 | 177.5 | -166.9 | 166.7 | -166.5 | 157.1 | 0 | 108.2 | E162 N166 | E162-K164 HydrophobicContact CB-CB 4.34Å; E162-K164 HydrophobicContact CG-CB 4.17Å; E162-K164 PolarHBondContact O-N 3.43Å; K164-N166 PolarHBondContact O-N 2.78Å | ||
| 165 | T | 47.9 | Very low | 63.1 | Low | 102 Ų | 102 | 91.1 Ų | 91.1 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | trans | -69.3 | 76.6 | -177.4 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | R163 | R163-T165 HydrophobicContact CG-CG2 4.24Å; R163-T165 PolarHBondContact O-N 2.96Å | ||
| 166 | N | 43.7 | Very low | 61.2 | Low | 117 Ų | 117 | 92.1 Ų | 92.1 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | trans | -57.9 | 144.8 | 159.5 | -73.7 | -16.8 | 0 | 0 | 0 | 108.2 | K164 T168 | K164-N166 PolarHBondContact O-N 2.78Å; N166-T168 PolarHBondContact O-N 2.76Å | ||
| 167 | T | 45.4 | Very low | 59.2 | Low | 142 Ų | 142 | 100 Ų | 100 | 87% | 0.871 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 54.2 | -156.7 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 168 | T | 46 | Very low | 57.3 | Low | 113 Ų | 113 | 105.6 Ų | 105.6 | 69% | 0.693 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -25.4 | 174.4 | 45.6 | 0 | 0 | 0 | 0 | 113.1 | N166 L170 | N166-T168 PolarHBondContact O-N 2.76Å; T168-L170 PolarHBondContact O-N 3.16Å |
| 169 | D | 42.8 | Very low | 55.4 | Low | 114 Ų | 114 | 111 Ų | 111 | 61% | 0.61 | 61% | 0.608 | S | S | * | * | trans | -82.8 | 58 | -169.1 | -58.5 | -2.7 | 0 | 0 | 0 | 112.6 | L171 | D169-L171 PolarHBondContact O-N 3.24Š| ||
| 170 | L | 46.4 | Very low | 54 | Low | 162 Ų | 162 | 113.2 Ų | 113.2 | 85% | 0.848 | 62% | 0.618 | S | S | * | * | trans | -77.6 | 9.6 | 173.7 | -80.3 | 171.7 | 0 | 0 | 0 | 113.8 | T168 | T168-L170 PolarHBondContact O-N 3.16Š| ||
| 171 | L | 43.9 | Very low | 52.6 | Low | 131 Ų | 131 | 118.9 Ų | 118.9 | 69% | 0.686 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -134.8 | 115.8 | 176.4 | -71.5 | 172.5 | 0 | 0 | 0 | 110.2 | D169 G173 | D169-L171 PolarHBondContact O-N 3.24Å; L171-G173 PolarHBondContact O-N 2.83Å |
| 172 | P | 44.3 | Very low | 52 | Low | 137 Ų | 137 | 126.1 Ų | 126.1 | 89% | 0.89 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 121.4 | 175 | 30 | -32.2 | 0 | 0 | 0 | 110.7 | ||
| 173 | G | 45 | Very low | 51.9 | Low | 75 Ų | 75 | 126.1 Ų | 126.1 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.4 | 25.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | L171 | L171-G173 PolarHBondContact O-N 2.83Š|
| 174 | I | 48 | Very low | 52.3 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 51% | 0.508 | 67% | 0.667 | S | S | . | * | trans | -128.3 | 105.8 | 165.8 | -42.5 | 179.6 | 0 | 0 | 0 | 109.3 | L176 | I174-L176 VanDerWaalsContact C-N 3.29Å; I174-L176 HydrophobicContact CB-CG 4.18Å; I174-L176 HydrophobicContact CG2-CD1 4.49Å; I174-L176 HydrophobicContact CG2-CD2 3.75Å; I174-L176 HydrophobicContact CG2-CG 3.76Å; I174-L176 PolarHBondContact O-N 2.91Å | ||
| 175 | D | 45.3 | Very low | 53.9 | Low | 112 Ų | 112 | 119.4 Ų | 119.4 | 60% | 0.599 | 66% | 0.659 | S | S | * | * | trans | -77.4 | 76.8 | 176.6 | -70.2 | -61.8 | 0 | 0 | 0 | 111.1 | L177 M179 | D175-L177 PolarHBondContact O-N 3.41Å; D175-M179 HydrophobicContact CB-CE 4.24Å | ||
| 176 | L | 51.7 | Low | 55.7 | Low | 107 Ų | 107 | 119.7 Ų | 119.7 | 56% | 0.56 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 45.3 | -177.6 | -67.3 | 162.8 | 0 | 0 | 0 | 113.8 | I174 E180 | I174-L176 VanDerWaalsContact C-N 3.29Å; I174-L176 HydrophobicContact CB-CG 4.18Å; I174-L176 HydrophobicContact CG2-CD1 4.49Å; I174-L176 HydrophobicContact CG2-CD2 3.75Å; I174-L176 HydrophobicContact CG2-CG 3.76Å; I174-L176 PolarHBondContact O-N 2.91Å; L176-E180 WeakPolarHBondContact CA-OE1 3.44Å; L176-E180 VanDerWaalsContact CB-OE1 3.28Å; L176-E180 WeakPolarHBondContact CB-OE1 3.47Å; L176-E180 WeakPolarHBondContact CD2-OE1 3.36Å |
| 177 | L | 50.3 | Low | 57.7 | Low | 164 Ų | 164 | 119.8 Ų | 119.8 | 86% | 0.859 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | -15.5 | -174.5 | -88.4 | 172.4 | 0 | 0 | 0 | 116.2 | D175 | D175-L177 PolarHBondContact O-N 3.41Š|
| 178 | V | 50.6 | Low | 59.8 | Low | 133 Ų | 133 | 117.2 Ų | 117.2 | 81% | 0.806 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.4 | -17.7 | 177.4 | -166.9 | 0 | 0 | 0 | 0 | 113.4 | E180 | V178-E180 VanDerWaalsContact C-N 3.32Å; V178-E180 PolarHBondContact O-N 2.97Å |
| 179 | M | 50.8 | Low | 62.1 | Low | 115 Ų | 115 | 116 Ų | 116 | 57% | 0.567 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -85.1 | -1.4 | -173.7 | -55 | -163.8 | -60.3 | 0 | 0 | 114.4 | D175 | D175-M179 HydrophobicContact CB-CE 4.24Š|
| 180 | E | 60.4 | Low | 64.4 | Low | 64 Ų | 64 | 115 Ų | 115 | 30% | 0.299 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -88.9 | -21.7 | -156.1 | -88.5 | 176.5 | -125.8 | 0 | 0 | 116.8 | L176 V178 W182 L183 L184 | L176-E180 WeakPolarHBondContact CA-OE1 3.44Å; L176-E180 VanDerWaalsContact CB-OE1 3.28Å; L176-E180 WeakPolarHBondContact CB-OE1 3.47Å; L176-E180 WeakPolarHBondContact CD2-OE1 3.36Å; V178-E180 VanDerWaalsContact C-N 3.32Å; V178-E180 PolarHBondContact O-N 2.97Å; E180-W182 VanDerWaalsContact C-N 3.29Å; E180-W182 PolarHBondContact O-N 2.73Å; E180-L183 HydrophobicContact CG-CD2 4.45Å; E180-L183 PolarHBondContact O-N 3.37Å; E180-L184 WeakPolarHBondContact O-CB 3.06Å; E180-L184 PolarHBondContact O-N 2.98Å |
| 181 | D | 59.9 | Low | 66.6 | Low | 131 Ų | 131 | 108.9 Ų | 108.9 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -53.5 | -46.7 | -176.4 | -68.7 | -18.9 | 0 | 0 | 0 | 112.4 | V185 | D181-V185 WeakPolarHBondContact O-CB 3.38Å; D181-V185 WeakPolarHBondContact O-CG2 3.33Å; D181-V185 PolarHBondContact O-N 3.26Å |
| 182 | W | 74.9 | Confident | 68.9 | Low | 217 Ų | 217 | 108.6 Ų | 108.6 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -78.2 | -32.1 | 177.7 | -60.8 | 101.2 | 0 | 0 | 0 | 113.2 | E180 L186 | E180-W182 VanDerWaalsContact C-N 3.29Å; E180-W182 PolarHBondContact O-N 2.73Å; W182-L186 VanDerWaalsContact O-CB 3.3Å; W182-L186 WeakPolarHBondContact O-CB 3.32Å; W182-L186 PolarHBondContact O-N 3.37Å |
| 183 | L | 75.9 | Confident | 71.2 | Confident | 98 Ų | 98 | 108.4 Ų | 108.4 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.1 | -43.5 | -180 | -169.5 | 76.2 | 0 | 0 | 0 | 111.4 | E180 L186 L187 | E180-L183 HydrophobicContact CG-CD2 4.45Å; E180-L183 PolarHBondContact O-N 3.37Å; L183-L186 PolarHBondContact O-N 2.85Å; L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.02Å; L183-L187 PolarHBondContact O-N 3.16Å |
| 184 | L | 74.8 | Confident | 73.2 | Confident | 96 Ų | 96 | 109.7 Ų | 109.7 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.7 | -44.9 | 175.5 | -173.3 | 157.5 | 0 | 0 | 0 | 110 | E180 L186 L187 V188 | E180-L184 WeakPolarHBondContact O-CB 3.06Å; E180-L184 PolarHBondContact O-N 2.98Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 2.79Å; L184-L187 PolarHBondContact O-N 3.17Å; L184-V188 HydrophobicContact CD2-CG2 3.87Å; L184-V188 HydrophobicContact CG-CG2 4.48Å; L184-V188 VanDerWaalsContact O-CB 3.32Å; L184-V188 WeakPolarHBondContact O-CB 3.42Å; L184-V188 VanDerWaalsContact O-CG2 3.28Å; L184-V188 WeakPolarHBondContact O-CG2 3.33Å; L184-V188 PolarHBondContact O-N 2.83Å |
| 185 | V | 85.1 | Confident | 75 | Confident | 79 Ų | 79 | 109.3 Ų | 109.3 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58 | -45.5 | 172.2 | 165 | 0 | 0 | 0 | 0 | 111.1 | D181 V189 | D181-V185 WeakPolarHBondContact O-CB 3.38Å; D181-V185 WeakPolarHBondContact O-CG2 3.33Å; D181-V185 PolarHBondContact O-N 3.26Å; V185-V189 HydrophobicContact CG1-CG2 4.45Å; V185-V189 WeakPolarHBondContact O-CB 3.24Å; V185-V189 WeakPolarHBondContact O-CG2 3.44Å; V185-V189 PolarHBondContact O-N 2.82Å |
| 186 | L | 85.6 | Confident | 76.8 | Confident | 107 Ų | 107 | 108 Ų | 108 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.4 | -44.2 | 177.4 | -166.9 | 159.7 | 0 | 0 | 0 | 111.7 | W182 L183 L184 V189 L190 | W182-L186 VanDerWaalsContact O-CB 3.3Å; W182-L186 WeakPolarHBondContact O-CB 3.32Å; W182-L186 PolarHBondContact O-N 3.37Å; L183-L186 PolarHBondContact O-N 2.85Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 2.79Å; L186-V189 PolarHBondContact O-N 2.82Å; L186-L190 HydrophobicContact CD2-CD1 4.34Å; L186-L190 VanDerWaalsContact O-CB 3.22Å; L186-L190 WeakPolarHBondContact O-CB 3.23Å; L186-L190 PolarHBondContact O-N 2.8Å |
| 187 | L | 84.3 | Confident | 78.4 | Confident | 120 Ų | 120 | 106.8 Ų | 106.8 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.4 | -41.3 | 179.5 | -170.3 | 154.9 | 0 | 0 | 0 | 112 | L183 L184 L190 G191 | L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.02Å; L183-L187 PolarHBondContact O-N 3.16Å; L184-L187 PolarHBondContact O-N 3.17Å; L187-L190 PolarHBondContact O-N 3.03Å; L187-G191 PolarHBondContact O-N 3.48Å |
| 188 | V | 90.6 | Very high | 79.6 | Confident | 87 Ų | 87 | 104.2 Ų | 104.2 | 53% | 0.527 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 175.4 | 168.8 | 0 | 0 | 0 | 0 | 111 | L184 G191 F192 | L184-V188 HydrophobicContact CD2-CG2 3.87Å; L184-V188 HydrophobicContact CG-CG2 4.48Å; L184-V188 VanDerWaalsContact O-CB 3.32Å; L184-V188 WeakPolarHBondContact O-CB 3.42Å; L184-V188 VanDerWaalsContact O-CG2 3.28Å; L184-V188 WeakPolarHBondContact O-CG2 3.33Å; L184-V188 PolarHBondContact O-N 2.83Å; V188-G191 PolarHBondContact O-N 2.87Å; V188-F192 WeakPolarHBondContact O-CB 3.47Å; V188-F192 PolarHBondContact O-N 2.74Å |
| 189 | V | 93 | Very high | 80.9 | Confident | 87 Ų | 87 | 100.7 Ų | 100.7 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.6 | 167.7 | 0 | 0 | 0 | 0 | 111 | V185 L186 F192 F193 | V185-V189 HydrophobicContact CG1-CG2 4.45Å; V185-V189 WeakPolarHBondContact O-CB 3.24Å; V185-V189 WeakPolarHBondContact O-CG2 3.44Å; V185-V189 PolarHBondContact O-N 2.82Å; L186-V189 PolarHBondContact O-N 2.82Å; V189-F192 PolarHBondContact O-N 3.05Å; V189-F193 WeakPolarHBondContact O-CB 3.22Å; V189-F193 PolarHBondContact O-N 2.71Å |
| 190 | L | 91.2 | Very high | 82 | Confident | 93 Ų | 93 | 96.5 Ų | 96.5 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 177.6 | -169.5 | 158.1 | 0 | 0 | 0 | 111.4 | L186 L187 F193 L194 | L186-L190 HydrophobicContact CD2-CD1 4.34Å; L186-L190 VanDerWaalsContact O-CB 3.22Å; L186-L190 WeakPolarHBondContact O-CB 3.23Å; L186-L190 PolarHBondContact O-N 2.8Å; L187-L190 PolarHBondContact O-N 3.03Å; L190-F193 PolarHBondContact O-N 2.8Å; L190-L194 HydrophobicContact CD2-CD1 3.62Å; L190-L194 HydrophobicContact CD2-CG 4.07Å; L190-L194 PolarHBondContact O-N 3.36Å |
| 191 | G | 93.2 | Very high | 82.6 | Confident | 35 Ų | 35 | 97.6 Ų | 97.6 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L187 V188 L194 L195 | L187-G191 PolarHBondContact O-N 3.48Å; V188-G191 PolarHBondContact O-N 2.87Å; G191-L194 PolarHBondContact O-N 2.98Å; G191-L195 WeakPolarHBondContact O-CB 3.49Å; G191-L195 PolarHBondContact O-N 2.77Å |
| 192 | F | 92.8 | Very high | 82.6 | Confident | 125 Ų | 125 | 92.8 Ų | 92.8 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 172.8 | -176.8 | -106.3 | 0 | 0 | 0 | 111.8 | V188 V189 L195 L196 | V188-F192 WeakPolarHBondContact O-CB 3.47Å; V188-F192 PolarHBondContact O-N 2.74Å; V189-F192 PolarHBondContact O-N 3.05Å; F192-L195 PolarHBondContact O-N 2.74Å; F192-L196 HydrophobicContact CD1-CD1 4.02Å; F192-L196 HydrophobicContact CD1-CG 4.46Å; F192-L196 HydrophobicContact CE1-CD1 3.54Å; F192-L196 HydrophobicContact CE1-CG 4.15Å; F192-L196 HydrophobicContact CZ-CD1 4.01Å; F192-L196 HydrophobicContact CZ-CD2 4.39Å; F192-L196 HydrophobicContact CZ-CG 4.25Å; F192-L196 WeakPolarHBondContact O-CG 3.23Å; F192-L196 PolarHBondContact O-N 2.93Å |
| 193 | F | 92 | Very high | 81.8 | Confident | 132 Ų | 132 | 91.3 Ų | 91.3 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.9 | -41.6 | 176.4 | -142.8 | -88.8 | 0 | 0 | 0 | 112.2 | V189 L190 L196 I197 | V189-F193 WeakPolarHBondContact O-CB 3.22Å; V189-F193 PolarHBondContact O-N 2.71Å; L190-F193 PolarHBondContact O-N 2.8Å; F193-L196 PolarHBondContact O-N 2.77Å; F193-I197 HydrophobicContact CD1-CD1 3.79Å; F193-I197 HydrophobicContact CD1-CG1 4.39Å; F193-I197 HydrophobicContact CE1-CD1 4.2Å; F193-I197 VanDerWaalsContact O-CG1 3.31Å; F193-I197 WeakPolarHBondContact O-CG1 3.5Å; F193-I197 PolarHBondContact O-N 2.86Å |
| 194 | L | 86.6 | Confident | 80.7 | Confident | 102 Ų | 102 | 91.2 Ų | 91.2 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 172.4 | -76.8 | 178 | 0 | 0 | 0 | 112.3 | L190 G191 I197 L198 | L190-L194 HydrophobicContact CD2-CD1 3.62Å; L190-L194 HydrophobicContact CD2-CG 4.07Å; L190-L194 PolarHBondContact O-N 3.36Å; G191-L194 PolarHBondContact O-N 2.98Å; L194-I197 PolarHBondContact O-N 3.09Å; L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 PolarHBondContact O-N 3.39Å |
| 195 | L | 85.8 | Confident | 79.6 | Confident | 91 Ų | 91 | 91.1 Ų | 91.1 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.3 | -177.2 | 152.2 | 0 | 0 | 0 | 111.2 | G191 F192 L198 I199 | G191-L195 WeakPolarHBondContact O-CB 3.49Å; G191-L195 PolarHBondContact O-N 2.77Å; F192-L195 PolarHBondContact O-N 2.74Å; L195-L198 PolarHBondContact O-N 2.88Å; L195-I199 HydrophobicContact CD2-CD1 3.56Å; L195-I199 HydrophobicContact CD2-CG1 4.35Å; L195-I199 HydrophobicContact CG-CD1 4.42Å; L195-I199 WeakPolarHBondContact O-CB 3.16Å; L195-I199 WeakPolarHBondContact O-CG1 3.41Å; L195-I199 PolarHBondContact O-N 2.74Å |
| 196 | L | 84.6 | Confident | 77.8 | Confident | 85 Ų | 85 | 90.8 Ų | 90.8 | 45% | 0.445 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 173 | -72.5 | 179.9 | 0 | 0 | 0 | 112.5 | F192 F193 G200 | F192-L196 HydrophobicContact CD1-CD1 4.02Å; F192-L196 HydrophobicContact CD1-CG 4.46Å; F192-L196 HydrophobicContact CE1-CD1 3.54Å; F192-L196 HydrophobicContact CE1-CG 4.15Å; F192-L196 HydrophobicContact CZ-CD1 4.01Å; F192-L196 HydrophobicContact CZ-CD2 4.39Å; F192-L196 HydrophobicContact CZ-CG 4.25Å; F192-L196 WeakPolarHBondContact O-CG 3.23Å; F192-L196 PolarHBondContact O-N 2.93Å; F193-L196 PolarHBondContact O-N 2.77Å; L196-G200 PolarHBondContact O-N 2.84Å |
| 197 | I | 84.3 | Confident | 75.8 | Confident | 81 Ų | 81 | 89.7 Ų | 89.7 | 42% | 0.415 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 174.1 | -72.7 | 166.1 | 0 | 0 | 0 | 110.9 | F193 L194 G200 I201 | F193-I197 HydrophobicContact CD1-CD1 3.79Å; F193-I197 HydrophobicContact CD1-CG1 4.39Å; F193-I197 HydrophobicContact CE1-CD1 4.2Å; F193-I197 VanDerWaalsContact O-CG1 3.31Å; F193-I197 WeakPolarHBondContact O-CG1 3.5Å; F193-I197 PolarHBondContact O-N 2.86Å; L194-I197 PolarHBondContact O-N 3.09Å; I197-G200 PolarHBondContact O-N 3.41Å; I197-I201 HydrophobicContact CG2-CD1 3.72Å; I197-I201 HydrophobicContact CG2-CG1 4.45Å; I197-I201 VanDerWaalsContact O-CG1 3.28Å; I197-I201 WeakPolarHBondContact O-CG1 3.23Å; I197-I201 PolarHBondContact O-N 2.7Å |
| 198 | L | 75.3 | Confident | 74.2 | Confident | 110 Ų | 110 | 89.9 Ų | 89.9 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.8 | -43.8 | 179.4 | -164.8 | 159.9 | 0 | 0 | 0 | 111.2 | L194 L195 I201 C202 | L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 PolarHBondContact O-N 3.39Å; L195-L198 PolarHBondContact O-N 2.88Å; L198-I201 PolarHBondContact O-N 2.71Å; L198-C202 VanDerWaalsContact O-CB 3.28Å; L198-C202 WeakPolarHBondContact O-CB 3.16Å; L198-C202 PolarHBondContact O-N 3.16Å |
| 199 | I | 78.9 | Confident | 72.1 | Confident | 59 Ų | 59 | 94 Ų | 94 | 30% | 0.303 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 172.2 | -71.4 | -179.9 | 0 | 0 | 0 | 110.7 | L195 I201 C202 W203 | L195-I199 HydrophobicContact CD2-CD1 3.56Å; L195-I199 HydrophobicContact CD2-CG1 4.35Å; L195-I199 HydrophobicContact CG-CD1 4.42Å; L195-I199 WeakPolarHBondContact O-CB 3.16Å; L195-I199 WeakPolarHBondContact O-CG1 3.41Å; L195-I199 PolarHBondContact O-N 2.74Å; I199-I201 PolarHBondContact O-N 2.95Å; I199-C202 WeakPolarHBondContact O-CB 3.17Å; I199-C202 PolarHBondContact O-N 3.18Å; I199-W203 HydrophobicContact CG2-CD2 3.74Å; I199-W203 HydrophobicContact CG2-CE3 4.22Å; I199-W203 HydrophobicContact CG2-CG 4.22Å; I199-W203 HydrophobicContact CG2-CH2 4.12Å; I199-W203 HydrophobicContact CG2-CZ2 3.62Å; I199-W203 HydrophobicContact CG2-CZ3 4.39Å; I199-W203 WeakPolarHBondContact O-CB 3.45Å; I199-W203 VanDerWaalsContact O-CG 3.3Å; I199-W203 PolarHBondContact O-N 3.11Å |
| 200 | G | 72.6 | Confident | 70 | Confident | 28 Ų | 28 | 95.8 Ų | 95.8 | 29% | 0.289 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L196 I197 W203 C204 | L196-G200 PolarHBondContact O-N 2.84Å; I197-G200 PolarHBondContact O-N 3.41Å; G200-W203 PolarHBondContact O-N 3.01Å; G200-C204 WeakPolarHBondContact O-CB 3.35Å; G200-C204 PolarHBondContact O-N 3.23Å; G200-C204 PolarHBondContact O-SG 3.5Å; G200-C204 VanDerWaalsContact O-SG 3.32Å |
| 201 | I | 73.6 | Confident | 67.9 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 175.4 | -68.7 | 165.2 | 0 | 0 | 0 | 110.8 | I197 L198 I199 C204 Q205 | I197-I201 HydrophobicContact CG2-CD1 3.72Å; I197-I201 HydrophobicContact CG2-CG1 4.45Å; I197-I201 VanDerWaalsContact O-CG1 3.28Å; I197-I201 WeakPolarHBondContact O-CG1 3.23Å; I197-I201 PolarHBondContact O-N 2.7Å; L198-I201 PolarHBondContact O-N 2.71Å; I199-I201 PolarHBondContact O-N 2.95Å; I201-C204 PolarHBondContact O-N 3.23Å; I201-Q205 WeakPolarHBondContact O-CB 3.48Å; I201-Q205 WeakPolarHBondContact O-CG 3.45Å; I201-Q205 PolarHBondContact O-N 3.31Å |
| 202 | C | 60.4 | Low | 65.7 | Low | 30 Ų | 30 | 102.1 Ų | 102.1 | 20% | 0.203 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -61.1 | -44.4 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | L198 I199 Q205 C206 | L198-C202 VanDerWaalsContact O-CB 3.28Å; L198-C202 WeakPolarHBondContact O-CB 3.16Å; L198-C202 PolarHBondContact O-N 3.16Å; I199-C202 WeakPolarHBondContact O-CB 3.17Å; I199-C202 PolarHBondContact O-N 3.18Å; C202-Q205 PolarHBondContact O-N 3.24Å; C202-C206 WeakPolarHBondContact O-CB 3.49Å; C202-C206 PolarHBondContact O-N 2.91Å; C202-C206 PolarHBondContact O-SG 3.28Å |
| 203 | W | 58.7 | Low | 63.6 | Low | 186 Ų | 186 | 99.4 Ų | 99.4 | 71% | 0.705 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.3 | -44.2 | 178.2 | -70.1 | 2.5 | 0 | 0 | 0 | 112.1 | I199 G200 Q205 C206 | I199-W203 HydrophobicContact CG2-CD2 3.74Å; I199-W203 HydrophobicContact CG2-CE3 4.22Å; I199-W203 HydrophobicContact CG2-CG 4.22Å; I199-W203 HydrophobicContact CG2-CH2 4.12Å; I199-W203 HydrophobicContact CG2-CZ2 3.62Å; I199-W203 HydrophobicContact CG2-CZ3 4.39Å; I199-W203 WeakPolarHBondContact O-CB 3.45Å; I199-W203 VanDerWaalsContact O-CG 3.3Å; I199-W203 PolarHBondContact O-N 3.11Å; G200-W203 PolarHBondContact O-N 3.01Å; W203-Q205 VanDerWaalsContact C-N 3.29Å; W203-Q205 PolarHBondContact O-N 2.93Å; W203-C206 PolarHBondContact O-N 2.02Å |
| 204 | C | 51.9 | Low | 61.3 | Low | 97 Ų | 97 | 101.7 Ų | 101.7 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.1 | -30.3 | 176.8 | -72.3 | 0 | 0 | 0 | 0 | 113.4 | G200 I201 | G200-C204 WeakPolarHBondContact O-CB 3.35Å; G200-C204 PolarHBondContact O-N 3.23Å; G200-C204 PolarHBondContact O-SG 3.5Å; G200-C204 VanDerWaalsContact O-SG 3.32Å; I201-C204 PolarHBondContact O-N 3.23Å |
| 205 | Q | 50.6 | Low | 59.5 | Low | 94 Ų | 94 | 103.8 Ų | 103.8 | 44% | 0.439 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -82.9 | -13.6 | 176.2 | -70.3 | -179.7 | 4.1 | 0 | 0 | 113.8 | I201 C202 W203 C217 | I201-Q205 WeakPolarHBondContact O-CB 3.48Å; I201-Q205 WeakPolarHBondContact O-CG 3.45Å; I201-Q205 PolarHBondContact O-N 3.31Å; C202-Q205 PolarHBondContact O-N 3.24Å; W203-Q205 VanDerWaalsContact C-N 3.29Å; W203-Q205 PolarHBondContact O-N 2.93Å; Q205-C217 VanDerWaalsContact OE1-CB 3.28Å; Q205-C217 PolarHBondContact OE1-SG 2.96Å |
| 206 | C | 48.5 | Very low | 57.5 | Low | 71 Ų | 71 | 105 Ų | 105 | 48% | 0.48 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.5 | 0.4 | 177.1 | -74.1 | 0 | 0 | 0 | 0 | 114.4 | C202 W203 P208 | C202-C206 WeakPolarHBondContact O-CB 3.49Å; C202-C206 PolarHBondContact O-N 2.91Å; C202-C206 PolarHBondContact O-SG 3.28Å; W203-C206 PolarHBondContact O-N 2.02Å; C206-P208 WeakPolarHBondContact O-CD 3.31Å |
| 207 | C | 43.9 | Very low | 55.8 | Low | 85 Ų | 85 | 102.7 Ų | 102.7 | 57% | 0.574 | 59% | 0.592 | S | S | * | * | trans | -69.7 | 117.2 | 174.7 | -70.6 | 0 | 0 | 0 | 0 | 111.3 | H209 | C207-H209 VanDerWaalsContact C-N 3.29Å; C207-H209 PolarHBondContact O-N 3.3Å | ||
| 208 | P | 50 | Low | 54.4 | Low | 123 Ų | 123 | 105 Ų | 105 | 80% | 0.799 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -78.2 | 7.2 | -157.1 | 29.8 | -37.5 | 0 | 0 | 0 | 117 | C206 | C206-P208 WeakPolarHBondContact O-CD 3.31Š|
| 209 | H | 46.1 | Very low | 53 | Low | 173 Ų | 173 | 102.5 Ų | 102.5 | 80% | 0.801 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -115.5 | -38.3 | -170 | -88 | -71.3 | 0 | 0 | 0 | 117.2 | C207 | C207-H209 VanDerWaalsContact C-N 3.29Å; C207-H209 PolarHBondContact O-N 3.3Å |
| 210 | T | 48.9 | Very low | 51.4 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -158.8 | 108.3 | 176.1 | 40.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 211 | C | 46.7 | Very low | 50.2 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 88% | 0.878 | 63% | 0.627 | S | S | * | * | trans | -173.1 | 156 | 132.1 | -98.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 212 | C | 47 | Very low | 48.9 | Very low | 130 Ų | 130 | 109 Ų | 109 | 88% | 0.878 | 64% | 0.643 | S | S | * | * | trans | -92.2 | 131.8 | -174 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 213 | C | 48.6 | Very low | 48.1 | Very low | 69 Ų | 69 | 117.3 Ų | 117.3 | 47% | 0.466 | 67% | 0.669 | S | S | . | * | trans | -101 | 113.6 | 163.7 | -69 | 0 | 0 | 0 | 0 | 110 | ||||
| 214 | L | 45.3 | Very low | 47.4 | Very low | 180 Ų | 180 | 113.6 Ų | 113.6 | 94% | 0.942 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -98 | -0 | 169.8 | -157.6 | 72.4 | 0 | 0 | 0 | 112.2 | ||
| 215 | I | 47.2 | Very low | 47 | Very low | 146 Ų | 146 | 114.3 Ų | 114.3 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -131.6 | 140.2 | 179.2 | -69 | 175.7 | 0 | 0 | 0 | 107.6 | ||
| 216 | S | 45.4 | Very low | 46.5 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -67.9 | 127.7 | -179 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 217 | C | 48.8 | Very low | 46.3 | Very low | 38 Ų | 38 | 114.9 Ų | 114.9 | 26% | 0.257 | 69% | 0.688 | S | S | . | * | trans | -103.2 | 133.2 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | Q205 C219 | Q205-C217 VanDerWaalsContact OE1-CB 3.28Å; Q205-C217 PolarHBondContact OE1-SG 2.96Å; C217-C219 PolarHBondContact O-N 2.54Å; C217-C219 VanDerWaalsContact O-N 3.14Å | ||
| 218 | P | 54.3 | Low | 46.5 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -13.1 | -176.6 | 26.7 | -35.8 | 0 | 0 | 0 | 114.7 | ||
| 219 | C | 45.3 | Very low | 46.6 | Very low | 58 Ų | 58 | 117.6 Ų | 117.6 | 39% | 0.392 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -4.9 | -175.8 | -59.4 | 0 | 0 | 0 | 0 | 114.9 | C217 | C217-C219 PolarHBondContact O-N 2.54Å; C217-C219 VanDerWaalsContact O-N 3.14Å |
| 220 | C | 46.1 | Very low | 46.7 | Very low | 56 Ų | 56 | 115.8 Ų | 115.8 | 38% | 0.378 | 68% | 0.681 | S | S | . | * | trans | -139.1 | 80.8 | -179.9 | -79.6 | 0 | 0 | 0 | 0 | 112.6 | D222 | C220-D222 PolarHBondContact O-N 2.92Š| ||
| 221 | P | 47.8 | Very low | 46.9 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -62.4 | -41 | 179.2 | 23 | -32.5 | 0 | 0 | 0 | 113.7 | ||
| 222 | D | 45.8 | Very low | 47.1 | Very low | 144 Ų | 144 | 119.3 Ų | 119.3 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -107.7 | 2.3 | -164.3 | -62 | -54.4 | 0 | 0 | 0 | 116.1 | C220 | C220-D222 PolarHBondContact O-N 2.92Š|
| 223 | R | 43.2 | Very low | 47.3 | Very low | 203 Ų | 203 | 115.6 Ų | 115.6 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | trans | -132.2 | 52.9 | -172.8 | -68.8 | -66 | 178.9 | 140.1 | 0.4 | 114.5 | C225 | R223-C225 VanDerWaalsContact C-N 3.26Å; R223-C225 PolarHBondContact O-N 2.94Å | ||
| 224 | C | 43.3 | Very low | 47.5 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | trans | -67 | 81.3 | 162.6 | -74.2 | 0 | 0 | 0 | 0 | 111.4 | C226 | C224-C226 PolarHBondContact O-N 2.7Š| ||
| 225 | C | 44.7 | Very low | 47.5 | Very low | 112 Ų | 112 | 114.9 Ų | 114.9 | 76% | 0.757 | 64% | 0.643 | S | S | * | * | trans | -73.2 | 58.5 | 174.9 | -77 | 0 | 0 | 0 | 0 | 113 | R223 | R223-C225 VanDerWaalsContact C-N 3.26Å; R223-C225 PolarHBondContact O-N 2.94Å | ||
| 226 | C | 39.7 | Very low | 47.4 | Very low | 92 Ų | 92 | 110.9 Ų | 110.9 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | trans | -67.1 | 128.3 | 159 | -92.4 | 0 | 0 | 0 | 0 | 109.3 | C224 R228 | C224-C226 PolarHBondContact O-N 2.7Å; C226-R228 PolarHBondContact O-N 2.82Å | ||
| 227 | P | 44.7 | Very low | 47.5 | Very low | 85 Ų | 85 | 109.5 Ų | 109.5 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | trans | -71.2 | 95.9 | 179 | 28.5 | -34.1 | 0 | 0 | 0 | 110.4 | A229 L230 | P227-A229 PolarHBondContact O-N 2.97Å; P227-L230 PolarHBondContact O-N 3.2Å | ||
| 228 | R | 48.8 | Very low | 47.4 | Very low | 194 Ų | 194 | 117.1 Ų | 117.1 | 73% | 0.732 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -49.3 | -33.1 | 178.8 | -70.8 | -172.6 | 179 | 177.2 | -0.1 | 113.1 | C226 L230 Y231 E232 | C226-R228 PolarHBondContact O-N 2.82Å; R228-L230 VanDerWaalsContact C-N 3.25Å; R228-L230 PolarHBondContact O-N 3.01Å; R228-L230 VanDerWaalsContact O-N 3.15Å; R228-Y231 PolarHBondContact O-N 3.29Å; R228-E232 WeakPolarHBondContact O-CB 3.24Å; R228-E232 PolarHBondContact O-N 2.85Å |
| 229 | A | 51.2 | Low | 46.6 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -46.6 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P227 A233 | P227-A229 PolarHBondContact O-N 2.97Å; A229-A233 WeakPolarHBondContact O-CB 3.38Å; A229-A233 PolarHBondContact O-N 3.16Å |
| 230 | L | 49.1 | Very low | 46.7 | Very low | 135 Ų | 135 | 120.7 Ų | 120.7 | 71% | 0.707 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.9 | -31.1 | -179.8 | -76.6 | 174.6 | 0 | 0 | 0 | 113.5 | P227 R228 G234 | P227-L230 PolarHBondContact O-N 3.2Å; R228-L230 VanDerWaalsContact C-N 3.25Å; R228-L230 PolarHBondContact O-N 3.01Å; R228-L230 VanDerWaalsContact O-N 3.15Å; L230-G234 PolarHBondContact O-N 2.92Å |
| 231 | Y | 52.4 | Low | 46.2 | Very low | 204 Ų | 204 | 124.5 Ų | 124.5 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -76.2 | -32.1 | 177.1 | -156.5 | -104.7 | 0 | 0 | 0 | 111.8 | R228 K235 | R228-Y231 PolarHBondContact O-N 3.29Å; Y231-K235 PolarHBondContact O-N 2.77Å |
| 232 | E | 51.4 | Low | 45.7 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 59% | 0.589 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -75.7 | -44.2 | 173.2 | -70.3 | 168.5 | -162.3 | 0 | 0 | 111.2 | R228 G234 K235 A236 | R228-E232 WeakPolarHBondContact O-CB 3.24Å; R228-E232 PolarHBondContact O-N 2.85Å; E232-G234 PolarHBondContact O-N 2.92Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-K235 VanDerWaalsContact O-N 3.14Å; E232-A236 PolarHBondContact O-N 3.18Å |
| 233 | A | 51.6 | Low | 45.1 | Very low | 51 Ų | 51 | 125 Ų | 125 | 42% | 0.421 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -61.4 | -41.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A229 K235 A236 A237 | A229-A233 WeakPolarHBondContact O-CB 3.38Å; A229-A233 PolarHBondContact O-N 3.16Å; A233-K235 PolarHBondContact O-N 2.76Å; A233-A236 PolarHBondContact O-N 3.15Å; A233-A236 VanDerWaalsContact O-N 3.11Å; A233-A237 WeakPolarHBondContact O-CB 3.3Å; A233-A237 PolarHBondContact O-N 2.91Å |
| 234 | G | 52.6 | Low | 45 | Very low | 54 Ų | 54 | 122.3 Ų | 122.3 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -61.7 | -26.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L230 E232 | L230-G234 PolarHBondContact O-N 2.92Å; E232-G234 PolarHBondContact O-N 2.92Å |
| 235 | K | 43.5 | Very low | 44.4 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -84 | -29 | 174.5 | -161.3 | 171.9 | -176.9 | 179 | 0 | 112.7 | Y231 E232 A233 | Y231-K235 PolarHBondContact O-N 2.77Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-K235 VanDerWaalsContact O-N 3.14Å; A233-K235 PolarHBondContact O-N 2.76Å |
| 236 | A | 46.8 | Very low | 43.6 | Very low | 62 Ų | 62 | 125.9 Ų | 125.9 | 51% | 0.512 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -75.5 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E232 A233 K238 K239 | E232-A236 PolarHBondContact O-N 3.18Å; A233-A236 PolarHBondContact O-N 3.15Å; A233-A236 VanDerWaalsContact O-N 3.11Å; A236-K238 PolarHBondContact O-N 2.86Å; A236-K239 PolarHBondContact O-N 2.89Å |
| 237 | A | 46.9 | Very low | 43.6 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -14.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A233 | A233-A237 WeakPolarHBondContact O-CB 3.3Å; A233-A237 PolarHBondContact O-N 2.91Å |
| 238 | K | 46.4 | Very low | 43 | Very low | 198 Ų | 198 | 129.6 Ų | 129.6 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 1.5 | 173.4 | -154.6 | 171.7 | -178.3 | 176.9 | 0 | 114.1 | A236 | A236-K238 PolarHBondContact O-N 2.86Š|
| 239 | K | 38.4 | Very low | 42.2 | Very low | 179 Ų | 179 | 125.9 Ų | 125.9 | 78% | 0.778 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -131.8 | 80.2 | 171.9 | -71.9 | -170.1 | 175.5 | -172.8 | 0 | 109.7 | A236 V241 | A236-K239 PolarHBondContact O-N 2.89Å; K239-V241 PolarHBondContact O-N 2.04Å; K239-V241 VanDerWaalsContact O-N 3.11Å |
| 240 | G | 46.4 | Very low | 41.2 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | -61.1 | 111.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 241 | V | 36.4 | Very low | 40.3 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -137.1 | 140.1 | 166.7 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | K239 | K239-V241 PolarHBondContact O-N 2.04Å; K239-V241 VanDerWaalsContact O-N 3.11Å | ||
| 242 | L | 36.1 | Very low | 39.1 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | trans | -67.2 | 133.5 | -177.7 | -134.1 | 74.2 | 0 | 0 | 0 | 111.2 | ||||
| 243 | S | 33.8 | Very low | 38.2 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -92.3 | 108.2 | 166.9 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 244 | Q | 40.9 | Very low | 37.2 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -79 | 139.1 | 171 | -161 | 78.7 | -1.9 | 0 | 0 | 109.2 | ||||
| 245 | Y | 30.4 | Very low | 36.1 | Very low | 214 Ų | 214 | 138 Ų | 138 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 65.2 | 140.8 | -173.4 | -63.1 | -97.4 | 0 | 0 | 0 | 115.2 | ||
| 246 | A | 27.5 | Very low | 35.5 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | cis | -155.6 | 137.2 | -21.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 247 | P | 40 | Very low | 35.2 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -100.3 | 137.8 | -178.7 | 35.8 | -31.4 | 0 | 0 | 0 | 113.3 | ||||
| 248 | T | 32.1 | Very low | 34.5 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -135.1 | 101.5 | 163.6 | 54 | 0 | 0 | 0 | 0 | 111 | ||||
| 249 | T | 33.2 | Very low | 33.7 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 35.2 | 115.5 | 136.8 | 57.8 | 0 | 0 | 0 | 0 | 117.8 | ||
| 250 | Y | 29.8 | Very low | 33.3 | Very low | 229 Ų | 229 | 139.5 Ų | 139.5 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | cis | -143.8 | 131.3 | 22.6 | -82.2 | -102.6 | 0 | 0 | 0 | 112.5 | ||||
| 251 | S | 29.5 | Very low | 32.4 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | -167.6 | 129.3 | 148.3 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 252 | G | 28.4 | Very low | 31.9 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 148.1 | 70.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 253 | M | 31.2 | Very low | 31.6 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -173.7 | 110.9 | 158.6 | -102 | -177.8 | 176.1 | 0 | 0 | 106.6 | ||
| 254 | Y | 30.8 | Very low | 31.4 | Very low | 206 Ų | 206 | 141.3 Ų | 141.3 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | cis | -131.5 | 144.5 | -3 | -84 | -105.7 | 0 | 0 | 0 | 110.1 | ||||
| 255 | A | 29.9 | Very low | 30.9 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -146.4 | 108.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 256 | Q | 31.1 | Very low | 30.7 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -140.3 | 107.5 | 174.5 | -85.6 | -75.5 | -67.8 | 0 | 0 | 108 | ||||
| 257 | P | 40.2 | Very low | 30.8 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -97.6 | 124.2 | -177.5 | 33.9 | -29.4 | 0 | 0 | 0 | 112 | ||||
| 258 | V | 31.7 | Very low | 30.3 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -136.3 | 136.3 | 171.2 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 259 | Y | 29.5 | Very low | 30.6 | Very low | 229 Ų | 229 | 139.3 Ų | 139.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -32.5 | 142 | 173 | -90.7 | -116.5 | 0 | 0 | 0 | 118.5 | ||||
| 260 | G | 29.6 | Very low | 30.9 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 119.1 | 128.1 | 124.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 261 | G | 27.4 | Very low | 30.9 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 93 | 76.4 | 132 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 262 | S | 27.5 | Very low | 31.2 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 67.8 | 149.7 | 133.8 | 74.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 263 | Q | 29.9 | Very low | 31.7 | Very low | 165 Ų | 165 | 138 Ų | 138 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | 83 | 130.3 | 153 | -59.4 | -135 | 16.3 | 0 | 0 | 122.6 | ||||
| 264 | F | 29.1 | Very low | 31.7 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | trans | 57.7 | 127.8 | 141.9 | -93 | -99.8 | 0 | 0 | 0 | 124.7 | ||||
| 265 | H | 29.5 | Very low | 32.2 | Very low | 129 Ų | 129 | 135 Ų | 135 | 60% | 0.597 | 78% | 0.775 | S | S | * | * | trans | 57.8 | 113 | 139.6 | -94.9 | -121.9 | 0 | 0 | 0 | 122.9 | ||||
| 266 | Q | 27.7 | Very low | 32.3 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | 62.5 | 124.5 | 122.2 | -69.8 | -175.4 | -17.2 | 0 | 0 | 122.2 | |||||
| 267 | S | 28.8 | Very low | 32.2 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 90.1 | 172.3 | 130.9 | 82 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 268 | A | 30.1 | Very low | 31.8 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 81.8 | 133 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 269 | I | 37.5 | Very low | 31.7 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -116.4 | 137.7 | 179.7 | -60.2 | 154.9 | 0 | 0 | 0 | 107.9 | ||||
| 270 | P | 39.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -145.8 | 157.2 | 137.3 | 35.2 | -19.9 | 0 | 0 | 0 | 112.7 | ||||
| 271 | L | 30.1 | Very low | 32.7 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | cis | -163.2 | 169.4 | -20.2 | -143.4 | 77.5 | 0 | 0 | 0 | 106.9 | ||||
| 272 | L | 35.3 | Very low | 33 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -80.5 | -173.7 | 164.7 | -68.9 | 168.7 | 0 | 0 | 0 | 109.4 | ||||
| 273 | P | 38.8 | Very low | 33.4 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | cis | -150 | -167.1 | 15.8 | 26.7 | 3.4 | 0 | 0 | 0 | 118.2 | ||||
| 274 | F | 31.7 | Very low | 33.3 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | 101.1 | 118.1 | 152.8 | -69.6 | -62.9 | 0 | 0 | 0 | 121.3 | ||||
| 275 | P | 40.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -100 | 159.7 | 158.8 | 38.6 | -31.2 | 0 | 0 | 0 | 112.4 | ||||
| 276 | N | 33.1 | Very low | 33.3 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -117.6 | 145.6 | 165.9 | -84.5 | -16.3 | 0 | 0 | 0 | 110.1 | ||||
| 277 | G | 28.1 | Very low | 33.5 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -151.8 | 146.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 278 | V | 31.5 | Very low | 33.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 95% | 0.945 | 79% | 0.792 | S | S | * | * | trans | -155 | 140.8 | 172 | -171.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 279 | G | 29.5 | Very low | 33.7 | Very low | 69 Ų | 69 | 142.7 Ų | 142.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | -167.8 | 163.9 | -5.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 280 | Q | 31 | Very low | 33.5 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -87.3 | -166.8 | -177.1 | -54.3 | -175.7 | -49.4 | 0 | 0 | 111.5 | ||||
| 281 | P | 50.2 | Low | 33.2 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | cis | -140.2 | 174.1 | -5.6 | 41.9 | -24 | 0 | 0 | 0 | 117 | ||||
| 282 | Q | 33.1 | Very low | 33.3 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | -170.3 | 163.8 | 114.4 | -101.6 | -177.2 | 10.3 | 0 | 0 | 112 | |||||
| 283 | S | 35.3 | Very low | 33 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -128.4 | 159 | -163.2 | -45.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 284 | N | 28.3 | Very low | 32.6 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | -157.7 | 161.1 | 124.9 | -150.4 | 11.8 | 0 | 0 | 0 | 113.2 | |||||
| 285 | Y | 29.6 | Very low | 32.5 | Very low | 210 Ų | 210 | 135.6 Ų | 135.6 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -110.6 | 165.8 | 177.7 | -87.2 | -102.9 | 0 | 0 | 0 | 112 | ||||
| 286 | G | 29.1 | Very low | 31.9 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -170 | 145.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 287 | H | 32.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -144.8 | 168.5 | -166.1 | -94.4 | -119 | 0 | 0 | 0 | 109.5 | ||||
| 288 | D | 30.3 | Very low | 31.7 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 81% | 0.812 | S | S | * | * | cis | -148 | -161.2 | 9.3 | -140.3 | -49.8 | 0 | 0 | 0 | 112.5 | ||||
| 289 | Y | 31.8 | Very low | 31.8 | Very low | 207 Ų | 207 | 132.7 Ų | 132.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -76.3 | 179.6 | 179.5 | -89.2 | -94.7 | 0 | 0 | 0 | 117.1 | ||||
| 290 | D | 33.5 | Very low | 31.8 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | 89 | 137.1 | 161.4 | -68.4 | -23.6 | 0 | 0 | 0 | 121 | ||||
| 291 | G | 34.4 | Very low | 31.7 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 153.7 | 82.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 292 | A | 31.5 | Very low | 30.9 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -89.9 | 143.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 293 | S | 30.2 | Very low | 30.7 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 45.1 | 130 | 157.7 | -67.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 294 | S | 29.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | 179.6 | 175.8 | 109.7 | -157 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 295 | V | 29.4 | Very low | 30.7 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -64.6 | 156.5 | -177.3 | -60.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 296 | G | 28.5 | Very low | 30.8 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 170.6 | 129.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 297 | H | 30.8 | Very low | 30.8 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | trans | -89 | 134.3 | 163 | -75.3 | 43.9 | 0 | 0 | 0 | 108.5 | ||||
| 298 | G | 27 | Very low | 30.7 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -164.2 | 101.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 299 | S | 32.8 | Very low | 30.8 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -84.2 | 124.3 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 300 | H | 29.5 | Very low | 30.9 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | -141.6 | 133.9 | 155.9 | -71.3 | -62.8 | 0 | 0 | 0 | 110.9 | ||||
| 301 | V | 29.8 | Very low | 31 | Very low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -117.5 | 123.8 | -179.2 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | L303 | V301-L303 PolarHBondContact O-N 2.94Š| ||
| 302 | P | 33 | Very low | 31.2 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -75.8 | 104.2 | 161.7 | -10.6 | 27.8 | 0 | 0 | 0 | 108.9 | ||||
| 303 | L | 28.9 | Very low | 31.7 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -68.3 | 138.2 | 166.1 | -78.3 | 165.4 | 0 | 0 | 0 | 109.3 | V301 | V301-L303 PolarHBondContact O-N 2.94Š| ||
| 304 | L | 33.2 | Very low | 32 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -134.8 | 93.1 | 170.4 | -132 | 169.9 | 0 | 0 | 0 | 110.7 | ||||
| 305 | Q | 30.2 | Very low | 32.3 | Very low | 158 Ų | 158 | 133 Ų | 133 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 33.4 | 107.1 | 156.4 | -140 | 72.7 | 22.3 | 0 | 0 | 119 | ||||
| 306 | D | 31.6 | Very low | 32.8 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -70.5 | 127.5 | 160.3 | -148.2 | -24.8 | 0 | 0 | 0 | 109.7 | ||||
| 307 | S | 29.6 | Very low | 33.3 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -163.2 | 69.5 | -179.4 | -77.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 308 | G | 30 | Very low | 33.9 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 51.2 | 101.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 309 | G | 32 | Very low | 34.5 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | 151.6 | 137.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H311 | G309-H311 PolarHBondContact O-ND1 2.83Š| ||
| 310 | D | 33.1 | Very low | 35 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 8.1 | 111 | 168.9 | -102.4 | -58.5 | 0 | 0 | 0 | 118.7 | T312 | D310-T312 PolarHBondContact OD1-OG1 2.86Š| ||
| 311 | H | 35.4 | Very low | 35.6 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -117.3 | 48.2 | 167.8 | -80.4 | 17.1 | 0 | 0 | 0 | 112 | G309 R313 | G309-H311 PolarHBondContact O-ND1 2.83Å; H311-R313 PolarHBondContact O-N 2.88Å | ||
| 312 | T | 38.7 | Very low | 36.7 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -86.3 | 23.3 | 168.4 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | D310 | D310-T312 PolarHBondContact OD1-OG1 2.86Š| ||
| 313 | R | 42.7 | Very low | 37.7 | Very low | 240 Ų | 240 | 142.4 Ų | 142.4 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -152.2 | 69 | -175.2 | -157.3 | -177.5 | -173.9 | -172.9 | 2.5 | 116.9 | H311 | H311-R313 PolarHBondContact O-N 2.88Š| ||
| 314 | S | 36.9 | Very low | 39 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -148 | 86.2 | 161.9 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 315 | G | 35.3 | Very low | 40.3 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -73.6 | 131.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R317 | G315-R317 PolarHBondContact O-N 2.88Å; G315-R317 VanDerWaalsContact O-N 3.08Å | ||
| 316 | Y | 40.4 | Very low | 41.6 | Very low | 233 Ų | 233 | 129.5 Ų | 129.5 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | trans | -60.9 | 109.4 | 178 | -73.8 | -93.7 | 0 | 0 | 0 | 111.4 | ||||
| 317 | R | 38.9 | Very low | 43 | Very low | 222 Ų | 222 | 127 Ų | 127 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -99.7 | 95.2 | 165.6 | -78.1 | -169.3 | 171.7 | 119.9 | -3.4 | 109.8 | G315 Q319 | G315-R317 PolarHBondContact O-N 2.88Å; G315-R317 VanDerWaalsContact O-N 3.08Å; R317-Q319 PolarHBondContact O-N 3.49Å | ||
| 318 | I | 41.7 | Very low | 44.5 | Very low | 144 Ų | 144 | 130 Ų | 130 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | -72.6 | 95.2 | 166.8 | -54.5 | 177.3 | 0 | 0 | 0 | 107.5 | V320 | I318-V320 HydrophobicContact CG2-CG2 3.88Å; I318-V320 PolarHBondContact O-N 3.14Å | ||
| 319 | Q | 41.5 | Very low | 46 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | -80.4 | 101.5 | 168.4 | -67.7 | -172.5 | 53.6 | 0 | 0 | 108.5 | R317 | R317-Q319 PolarHBondContact O-N 3.49Š| ||
| 320 | V | 43.4 | Very low | 47.7 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | trans | -84.3 | 108.7 | 168 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | I318 | I318-V320 HydrophobicContact CG2-CG2 3.88Å; I318-V320 PolarHBondContact O-N 3.14Å | ||
| 321 | N | 41.7 | Very low | 49.1 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 64% | 0.642 | 68% | 0.684 | S | S | * | * | trans | -60.9 | 138.6 | 167.4 | -70.7 | -18.6 | 0 | 0 | 0 | 108.7 | D323 | N321-D323 PolarHBondContact O-N 3.17Š| ||
| 322 | P | 52 | Low | 50.3 | Low | 118 Ų | 118 | 129.2 Ų | 129.2 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -61.9 | -26.6 | -178.8 | 25.3 | -33.5 | 0 | 0 | 0 | 112.3 | G324 | P322-G324 PolarHBondContact O-N 3.08Å; P322-G324 VanDerWaalsContact O-N 3.16Å |
| 323 | D | 54.3 | Low | 51.6 | Low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -91.6 | 78.2 | -169.9 | -49.5 | -46.6 | 0 | 0 | 0 | 112.2 | N321 | N321-D323 PolarHBondContact O-N 3.17Š|
| 324 | G | 56 | Low | 52.7 | Low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 89.8 | 48.6 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | P322 | P322-G324 PolarHBondContact O-N 3.08Å; P322-G324 VanDerWaalsContact O-N 3.16Å |
| 325 | N | 59.8 | Low | 54.2 | Low | 93 Ų | 93 | 125.4 Ų | 125.4 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | trans | -153.2 | 27.8 | 159.6 | -118.5 | -68.2 | 0 | 0 | 0 | 116.8 | T327 R328 | N325-T327 PolarHBondContact O-N 3.35Å; N325-R328 PolarHBondContact O-N 3.41Å; N325-R328 VanDerWaalsContact O-N 3.1Å; N325-R328 WeakPolarHBondContact OD1-CB 3.41Å | ||
| 326 | A | 58 | Low | 55.2 | Low | 62 Ų | 62 | 128 Ų | 128 | 51% | 0.512 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -56.5 | -33.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R328 A329 I330 | A326-R328 VanDerWaalsContact C-N 3.3Å; A326-R328 PolarHBondContact O-N 3.14Å; A326-A329 PolarHBondContact O-N 3.46Å; A326-A329 VanDerWaalsContact O-N 3.14Å; A326-I330 PolarHBondContact O-N 3.35Å; A326-I330 VanDerWaalsContact O-N 3.14Å |
| 327 | T | 61.5 | Low | 55.9 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.4 | -34.8 | 177.1 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | N325 I330 Y331 | N325-T327 PolarHBondContact O-N 3.35Å; T327-I330 PolarHBondContact O-N 3.05Å; T327-Y331 WeakPolarHBondContact O-CB 3.47Å; T327-Y331 PolarHBondContact O-N 3.43Å |
| 328 | R | 61.6 | Low | 56.8 | Low | 162 Ų | 162 | 116.4 Ų | 116.4 | 61% | 0.611 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.7 | -37.7 | 175.5 | 179.3 | 175 | -77.7 | 179.8 | -3.9 | 111.6 | N325 A326 Y331 Y332 | N325-R328 PolarHBondContact O-N 3.41Å; N325-R328 VanDerWaalsContact O-N 3.1Å; N325-R328 WeakPolarHBondContact OD1-CB 3.41Å; A326-R328 VanDerWaalsContact C-N 3.3Å; A326-R328 PolarHBondContact O-N 3.14Å; R328-Y331 PolarHBondContact O-N 3.05Å; R328-Y332 HydrophobicContact CG-CD2 4.05Å; R328-Y332 HydrophobicContact CG-CE2 4.2Å; R328-Y332 WeakPolarHBondContact O-CD2 3.26Å; R328-Y332 PolarHBondContact O-N 3.47Å; R328-Y332 VanDerWaalsContact O-N 3.09Å |
| 329 | A | 61.7 | Low | 57.4 | Low | 40 Ų | 40 | 113.5 Ų | 113.5 | 33% | 0.331 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.7 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A326 Y332 M333 | A326-A329 PolarHBondContact O-N 3.46Å; A326-A329 VanDerWaalsContact O-N 3.14Å; A329-Y332 PolarHBondContact O-N 3.14Å; A329-M333 PolarHBondContact O-N 2.88Å |
| 330 | I | 67.3 | Low | 57.8 | Low | 96 Ų | 96 | 111.2 Ų | 111.2 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.4 | -49.8 | 174.8 | -63.8 | 167.2 | 0 | 0 | 0 | 110.5 | A326 T327 Y332 M333 E334 | A326-I330 PolarHBondContact O-N 3.35Å; A326-I330 VanDerWaalsContact O-N 3.14Å; T327-I330 PolarHBondContact O-N 3.05Å; I330-Y332 VanDerWaalsContact C-N 3.26Å; I330-Y332 PolarHBondContact O-N 3.17Å; I330-M333 PolarHBondContact O-N 3.1Å; I330-M333 VanDerWaalsContact O-N 3.1Å; I330-E334 WeakPolarHBondContact O-CB 3.38Å; I330-E334 PolarHBondContact O-N 2.91Å |
| 331 | Y | 61.8 | Low | 57.7 | Low | 162 Ų | 162 | 111.2 Ų | 111.2 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.1 | -30.7 | -179.7 | -164.5 | -96.3 | 0 | 0 | 0 | 113.5 | T327 R328 K335 | T327-Y331 WeakPolarHBondContact O-CB 3.47Å; T327-Y331 PolarHBondContact O-N 3.43Å; R328-Y331 PolarHBondContact O-N 3.05Å; Y331-K335 VanDerWaalsContact O-CB 3.3Å; Y331-K335 WeakPolarHBondContact O-CB 3.41Å; Y331-K335 PolarHBondContact O-N 3.18Å; Y331-K335 VanDerWaalsContact O-N 3.16Å |
| 332 | Y | 61.3 | Low | 58.1 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 58% | 0.58 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.4 | -43.1 | 172 | -95.7 | -91.4 | 0 | 0 | 0 | 112.4 | R328 A329 I330 K335 E336 | R328-Y332 HydrophobicContact CG-CD2 4.05Å; R328-Y332 HydrophobicContact CG-CE2 4.2Å; R328-Y332 WeakPolarHBondContact O-CD2 3.26Å; R328-Y332 PolarHBondContact O-N 3.47Å; R328-Y332 VanDerWaalsContact O-N 3.09Å; A329-Y332 PolarHBondContact O-N 3.14Å; I330-Y332 VanDerWaalsContact C-N 3.26Å; I330-Y332 PolarHBondContact O-N 3.17Å; Y332-K335 PolarHBondContact O-N 3.5Å; Y332-E336 WeakPolarHBondContact O-CG 3.49Å; Y332-E336 PolarHBondContact O-N 3.1Å; Y332-E336 VanDerWaalsContact O-N 3.07Å |
| 333 | M | 66.5 | Low | 57.7 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 59% | 0.591 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.6 | -43.9 | 174.5 | -67.7 | -166.7 | -53.1 | 0 | 0 | 112.1 | A329 I330 K335 E336 L337 | A329-M333 PolarHBondContact O-N 2.88Å; I330-M333 PolarHBondContact O-N 3.1Å; I330-M333 VanDerWaalsContact O-N 3.1Å; M333-K335 VanDerWaalsContact C-N 3.28Å; M333-K335 PolarHBondContact O-N 3.01Å; M333-E336 PolarHBondContact O-N 2.65Å; M333-E336 VanDerWaalsContact O-N 3.16Å; M333-L337 VanDerWaalsContact O-CD1 3.24Å; M333-L337 WeakPolarHBondContact O-CD1 3.45Å; M333-L337 PolarHBondContact O-N 3Å |
| 334 | E | 65.6 | Low | 57.3 | Low | 126 Ų | 126 | 111 Ų | 111 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.8 | -39.5 | 178.2 | -173.4 | 173.4 | -161.8 | 0 | 0 | 111.4 | I330 L337 A338 | I330-E334 WeakPolarHBondContact O-CB 3.38Å; I330-E334 PolarHBondContact O-N 2.91Å; E334-L337 PolarHBondContact O-N 2.73Å; E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.44Å; E334-A338 PolarHBondContact O-N 3.44Å |
| 335 | K | 67.7 | Low | 56.5 | Low | 141 Ų | 141 | 114.3 Ų | 114.3 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.3 | -38 | 174.5 | -174.8 | 177.3 | 177.5 | -175.1 | 0 | 113.4 | Y331 Y332 M333 | Y331-K335 VanDerWaalsContact O-CB 3.3Å; Y331-K335 WeakPolarHBondContact O-CB 3.41Å; Y331-K335 PolarHBondContact O-N 3.18Å; Y331-K335 VanDerWaalsContact O-N 3.16Å; Y332-K335 PolarHBondContact O-N 3.5Å; M333-K335 VanDerWaalsContact C-N 3.28Å; M333-K335 PolarHBondContact O-N 3.01Å |
| 336 | E | 57.4 | Low | 55.6 | Low | 128 Ų | 128 | 113.6 Ų | 113.6 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67 | -45.4 | 173.7 | -68.4 | -71.9 | 128.7 | 0 | 0 | 110.7 | Y332 M333 A338 S339 | Y332-E336 WeakPolarHBondContact O-CG 3.49Å; Y332-E336 PolarHBondContact O-N 3.1Å; Y332-E336 VanDerWaalsContact O-N 3.07Å; M333-E336 PolarHBondContact O-N 2.65Å; M333-E336 VanDerWaalsContact O-N 3.16Å; E336-A338 PolarHBondContact O-N 3.2Å; E336-S339 WeakPolarHBondContact O-CB 3.45Å; E336-S339 PolarHBondContact O-N 3.49Å; E336-S339 VanDerWaalsContact O-N 3.09Å; E336-S339 PolarHBondContact O-OG 2.94Å |
| 337 | L | 55 | Low | 54.8 | Low | 122 Ų | 122 | 118 Ų | 118 | 64% | 0.639 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.9 | -39.6 | 176.5 | -92.5 | 73 | 0 | 0 | 0 | 112.4 | M333 E334 S339 L340 | M333-L337 VanDerWaalsContact O-CD1 3.24Å; M333-L337 WeakPolarHBondContact O-CD1 3.45Å; M333-L337 PolarHBondContact O-N 3Å; E334-L337 PolarHBondContact O-N 2.73Å; L337-S339 PolarHBondContact O-N 2.89Å; L337-S339 VanDerWaalsContact O-N 3.13Å; L337-L340 PolarHBondContact O-N 3.31Å; L337-L340 VanDerWaalsContact O-N 3.1Å |
| 338 | A | 57.4 | Low | 53.9 | Low | 90 Ų | 90 | 121.8 Ų | 121.8 | 74% | 0.744 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -11.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E334 E336 | E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.44Å; E334-A338 PolarHBondContact O-N 3.44Å; E336-A338 PolarHBondContact O-N 3.2Å |
| 339 | S | 53.9 | Low | 52.8 | Low | 83 Ų | 83 | 118.9 Ų | 118.9 | 58% | 0.58 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -11.1 | 174.6 | 78.6 | 0 | 0 | 0 | 0 | 114 | E336 L337 D341 | E336-S339 WeakPolarHBondContact O-CB 3.45Å; E336-S339 PolarHBondContact O-N 3.49Å; E336-S339 VanDerWaalsContact O-N 3.09Å; E336-S339 PolarHBondContact O-OG 2.94Å; L337-S339 PolarHBondContact O-N 2.89Å; L337-S339 VanDerWaalsContact O-N 3.13Å; S339-D341 PolarHBondContact O-N 3.15Å |
| 340 | L | 50.5 | Low | 51.9 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 60% | 0.602 | 66% | 0.663 | S | S | * | * | trans | -89.2 | 88.9 | -178.2 | -67.1 | 171.8 | 0 | 0 | 0 | 110.8 | L337 P342 | L337-L340 PolarHBondContact O-N 3.31Å; L337-L340 VanDerWaalsContact O-N 3.1Å; L340-P342 VanDerWaalsContact O-CD 3.31Å; L340-P342 WeakPolarHBondContact O-CD 3.29Å | ||
| 341 | D | 41.1 | Very low | 50.6 | Low | 89 Ų | 89 | 131.3 Ų | 131.3 | 48% | 0.476 | 68% | 0.678 | S | S | . | * | trans | -64.4 | 112.9 | 173 | 176.2 | 0.2 | 0 | 0 | 0 | 111.1 | S339 S343 | S339-D341 PolarHBondContact O-N 3.15Å; D341-S343 VanDerWaalsContact CG-OG 3.22Å; D341-S343 PolarHBondContact O-N 3.41Å; D341-S343 VanDerWaalsContact O-N 3.14Å; D341-S343 VanDerWaalsContact OD1-CB 3.27Å; D341-S343 WeakPolarHBondContact OD1-CB 3.47Å; D341-S343 PolarHBondContact OD1-N 3.38Å; D341-S343 PolarHBondContact OD1-OG 3.33Å; D341-S343 PolarHBondContact OD2-OG 2.92Å | ||
| 342 | P | 50.6 | Low | 49.4 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -3 | -176.9 | 31.7 | -36.3 | 0 | 0 | 0 | 113.6 | L340 | L340-P342 VanDerWaalsContact O-CD 3.31Å; L340-P342 WeakPolarHBondContact O-CD 3.29Å |
| 343 | S | 42.8 | Very low | 48.2 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -2.5 | -179.4 | 74.6 | 0 | 0 | 0 | 0 | 114.8 | D341 | D341-S343 VanDerWaalsContact CG-OG 3.22Å; D341-S343 PolarHBondContact O-N 3.41Å; D341-S343 VanDerWaalsContact O-N 3.14Å; D341-S343 VanDerWaalsContact OD1-CB 3.27Å; D341-S343 WeakPolarHBondContact OD1-CB 3.47Å; D341-S343 PolarHBondContact OD1-N 3.38Å; D341-S343 PolarHBondContact OD1-OG 3.33Å; D341-S343 PolarHBondContact OD2-OG 2.92Å |
| 344 | K | 46.2 | Very low | 46.5 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 70% | 0.7 | 71% | 0.714 | S | S | * | * | trans | -124.4 | 110 | -179 | -85.6 | 178 | 176.6 | 165.1 | 0 | 113.9 | S346 | K344-S346 PolarHBondContact O-N 3.46Š| ||
| 345 | P | 39.6 | Very low | 44.9 | Very low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | trans | -73.9 | 111.4 | 167.6 | 29.6 | -32 | 0 | 0 | 0 | 110.6 | ||||
| 346 | S | 41.4 | Very low | 43.3 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | trans | -100.9 | 143.9 | 168.2 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | K344 Y348 | K344-S346 PolarHBondContact O-N 3.46Å; S346-Y348 WeakPolarHBondContact O-CD2 3.46Å; S346-Y348 PolarHBondContact O-N 3.42Å; S346-Y348 VanDerWaalsContact O-N 3.08Å | ||
| 347 | N | 39.2 | Very low | 42.2 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -76.2 | 97.6 | -167.6 | -68.6 | -37.2 | 0 | 0 | 0 | 113.4 | S349 | N347-S349 VanDerWaalsContact C-N 3.32Å; N347-S349 PolarHBondContact O-N 2.79Å; N347-S349 VanDerWaalsContact O-N 3.14Å | ||
| 348 | Y | 43 | Very low | 41 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -84.2 | 67.1 | 169.8 | -74 | -87 | 0 | 0 | 0 | 112.3 | S346 | S346-Y348 WeakPolarHBondContact O-CD2 3.46Å; S346-Y348 PolarHBondContact O-N 3.42Å; S346-Y348 VanDerWaalsContact O-N 3.08Å | ||
| 349 | S | 39.3 | Very low | 39.6 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -116.2 | 36.4 | -179.8 | -47.6 | 0 | 0 | 0 | 0 | 112.6 | N347 | N347-S349 VanDerWaalsContact C-N 3.32Å; N347-S349 PolarHBondContact O-N 2.79Å; N347-S349 VanDerWaalsContact O-N 3.14Å | ||
| 350 | R | 42.5 | Very low | 38.3 | Very low | 244 Ų | 244 | 139.7 Ų | 139.7 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -140.6 | 17.5 | -167.4 | -133.7 | -176.4 | -155.3 | -171.2 | 7.2 | 116.5 | ||
| 351 | L | 40.6 | Very low | 37.3 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -120.3 | -8.1 | -177.7 | -81.2 | 165.1 | 0 | 0 | 0 | 115.2 | ||
| 352 | E | 35.3 | Very low | 36.7 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -84.8 | -10.4 | -173.2 | -64.6 | -178 | 129.8 | 0 | 0 | 114.9 | M354 | E352-M354 PolarHBondContact O-N 2.97Š|
| 353 | N | 36.1 | Very low | 35.7 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -95.9 | 55.4 | -171.8 | -159.5 | 16.4 | 0 | 0 | 0 | 113.6 | ||||
| 354 | M | 31.6 | Very low | 35 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -146.6 | 65.3 | 179.3 | -77.6 | -168.6 | 160.8 | 0 | 0 | 113.9 | E352 | E352-M354 PolarHBondContact O-N 2.97Š| ||
| 355 | S | 32.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -177.3 | 81.3 | 154 | 38 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 356 | T | 33.8 | Very low | 34.8 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -145.5 | 86.3 | 170 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 357 | V | 33.6 | Very low | 34.2 | Very low | 143 Ų | 143 | 151.9 Ų | 151.9 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -175.3 | 155.8 | 153.9 | -93.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 358 | T | 29.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | cis | -174.6 | 143.3 | -32.6 | -95.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 359 | S | 26.8 | Very low | 33 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -140 | 100.7 | 159.5 | 48.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 360 | L | 27.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 151 Ų | 151 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | 75.8 | 94.8 | 70.6 | -169.6 | 85 | 0 | 0 | 0 | 113.4 | |||||
| 361 | H | 30.1 | Very low | 31.8 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -160.6 | -176.1 | 133.2 | -121.6 | -35.2 | 0 | 0 | 0 | 111.3 | ||||
| 362 | D | 28.8 | Very low | 31.3 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 72% | 0.717 | 82% | 0.82 | S | S | * | * | trans | -89.6 | 162.7 | -135.8 | -89.1 | -81.6 | 0 | 0 | 0 | 121.1 | ||||
| 363 | S | 27.6 | Very low | 31.5 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -64.9 | 159.9 | 177.6 | 63.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 364 | V | 30.1 | Very low | 31.7 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | 179.9 | 154.7 | 129 | 147.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 365 | E | 30.6 | Very low | 31.5 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -134.1 | -174.3 | -159.5 | -133.7 | -171.1 | 158.8 | 0 | 0 | 113.6 | ||||
| 366 | P | 49.5 | Very low | 31.5 | Very low | 82 Ų | 82 | 142 Ų | 142 | 53% | 0.532 | 81% | 0.805 | S | S | . | * | -123.4 | 168.5 | -103.1 | 42.5 | -29.7 | 0 | 0 | 0 | 117.2 | |||||
| 367 | R | 28.3 | Very low | 31.5 | Very low | 238 Ų | 238 | 141.6 Ų | 141.6 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | 165.4 | 145.3 | 140.9 | -91.8 | 159.6 | -164.9 | 88.4 | -8.6 | 112.9 | ||||
| 368 | G | 28.7 | Very low | 31.2 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 158 | 136.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 369 | R | 28.6 | Very low | 31.3 | Very low | 257 Ų | 257 | 147.4 Ų | 147.4 | 97% | 0.97 | 81% | 0.809 | S | S | * | * | trans | -85.2 | 125.7 | -179 | -79.5 | 173.6 | 162.9 | 172 | -6.3 | 114 | ||||
| 370 | G | 28.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 149.4 Ų | 149.4 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | 82.3 | 145.2 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 371 | G | 29.2 | Very low | 31.5 | Very low | 78 Ų | 78 | 152.9 Ų | 152.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 136.2 | 68.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 372 | R | 30.2 | Very low | 31.7 | Very low | 252 Ų | 252 | 151 Ų | 151 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | trans | 73.2 | 162.4 | 155 | -80.8 | -174.2 | 173 | -159.8 | -3.1 | 119.9 | ||||
| 373 | P | 39.8 | Very low | 31.8 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -101.7 | 179.9 | -165.9 | 44.2 | -37.7 | 0 | 0 | 0 | 112.8 | ||||
| 374 | P | 39.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 153 Ų | 153 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | cis | -125.2 | -168.8 | 29.9 | 36.5 | -13.9 | 0 | 0 | 0 | 113.7 | ||||
| 375 | M | 27.7 | Very low | 31.9 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | cis | -139.9 | 160 | 15.6 | -77.6 | -84.7 | -80.6 | 0 | 0 | 110.9 | ||||
| 376 | P | 32.9 | Very low | 32.2 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 123.3 | 167 | 11.4 | 7.5 | 0 | 0 | 0 | 112.1 | ||
| 377 | T | 33.6 | Very low | 31.3 | Very low | 122 Ų | 122 | 152 Ų | 152 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 138.7 | 161.1 | 47 | 0 | 0 | 0 | 0 | 110 | ||
| 378 | L | 26.5 | Very low | 31.4 | Very low | 177 Ų | 177 | 148 Ų | 148 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 140.3 | 172.4 | -79.8 | 158.1 | 0 | 0 | 0 | 110.6 | ||
| 379 | Y | 31.9 | Very low | 31.2 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 82% | 0.82 | 81% | 0.811 | S | S | * | * | trans | -104.4 | 137.6 | 168.2 | -94.2 | -90.6 | 0 | 0 | 0 | 109.2 | ||||
| 380 | D | 31.7 | Very low | 31.2 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -63.9 | 133 | 156.1 | -85.6 | -47.9 | 0 | 0 | 0 | 109.5 | ||||
| 381 | R | 28.5 | Very low | 31.2 | Very low | 222 Ų | 222 | 144.1 Ų | 144.1 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -157.5 | 76.8 | 171 | -168.5 | 55.4 | 165.3 | 135 | -4.9 | 111.5 | ||||
| 382 | D | 32.8 | Very low | 31.4 | Very low | 136 Ų | 136 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -70.9 | 158 | 165.3 | -88.2 | -45.7 | 0 | 0 | 0 | 112.5 | ||||
| 383 | E | 32.5 | Very low | 31.3 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 72.1 | 143.9 | 161.5 | -71 | 179 | 168.2 | 0 | 0 | 122.1 | ||||
| 384 | A | 32.5 | Very low | 31.1 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 64.5 | 89.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 385 | M | 27.3 | Very low | 30.5 | Very low | 166 Ų | 166 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -154.6 | 137.1 | 104.9 | -159.9 | 64.1 | -148.1 | 0 | 0 | 112.2 | |||||
| 386 | S | 35.8 | Very low | 30.7 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -111.4 | 106.7 | -178.6 | 44.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 387 | T | 31.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -147.7 | 104.8 | 167.6 | 39.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 388 | I | 29.1 | Very low | 30.3 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 51.7 | 103.9 | 137.5 | -47 | 176.2 | 0 | 0 | 0 | 118.8 | ||||
| 389 | S | 26.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | 77.3 | 170.1 | 142.7 | 83.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 390 | S | 28 | Very low | 30.2 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 75.5 | 87.9 | 165.5 | 64.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 391 | V | 29.1 | Very low | 30 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | 45.5 | 116 | 113.1 | -179.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 392 | S | 33.4 | Very low | 30.6 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | 86.3 | 165.5 | 144.7 | 80.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 393 | Q | 26.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | 76.4 | 104.3 | 179.8 | -60.5 | 178.7 | 83.4 | 0 | 0 | 114.6 | ||||
| 394 | Q | 35.3 | Very low | 30.3 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | 88 | 128.6 | 63.2 | -82.6 | -174.3 | -13.4 | 0 | 0 | 113.4 | |||||
| 395 | G | 28.4 | Very low | 30.1 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -157.4 | 110 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 396 | Q | 30.2 | Very low | 30.2 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -155.9 | 116.9 | 164.8 | -162.8 | -174.7 | 40.4 | 0 | 0 | 110.7 | ||||
| 397 | R | 29.3 | Very low | 29.9 | Very low | 224 Ų | 224 | 138.1 Ų | 138.1 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -161.1 | 155.2 | 171.2 | -75.1 | -157.1 | 179.1 | -167.4 | 0.2 | 106.8 | ||||
| 398 | R | 28.7 | Very low | 29.7 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 58% | 0.581 | 77% | 0.774 | S | S | * | * | cis | -158 | -164 | 4.4 | -128.1 | 174.3 | 152.2 | -133.3 | -8.7 | 108.1 | D400 | R398-D400 IonicContact CZ-OD1 3.83Å; R398-D400 IonicContact CZ-OD2 2.65Å; R398-D400 IonicContact NE-OD1 3.68Å; R398-D400 IonicContact NH2-OD1 2.7Å; R398-D400 PolarHBondContact NH2-OD1 3.28Å; R398-D400 IonicContact NH2-OD2 3.98Å; R398-D400 PolarHBondContact NH2-OD2 2.58Å | ||
| 399 | D | 26.6 | Very low | 29.8 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | cis | -160.1 | 152.5 | 10 | -122.6 | -27.6 | 0 | 0 | 0 | 108.7 | ||||
| 400 | D | 31 | Very low | 30 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 56% | 0.556 | 77% | 0.77 | S | S | * | * | cis | -148.9 | -74.4 | -16.2 | -151.8 | 20.1 | 0 | 0 | 0 | 111.4 | R398 | R398-D400 IonicContact CZ-OD1 3.83Å; R398-D400 IonicContact CZ-OD2 2.65Å; R398-D400 IonicContact NE-OD1 3.68Å; R398-D400 IonicContact NH2-OD1 2.7Å; R398-D400 PolarHBondContact NH2-OD1 3.28Å; R398-D400 IonicContact NH2-OD2 3.98Å; R398-D400 PolarHBondContact NH2-OD2 2.58Å | ||
| 401 | Y | 27.7 | Very low | 30.1 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 74% | 0.737 | 78% | 0.778 | S | S | * | * | trans | -162.9 | 155.3 | -160.4 | -99.2 | -81.2 | 0 | 0 | 0 | 112.4 | ||||
| 402 | P | 39.5 | Very low | 30.2 | Very low | 134 Ų | 134 | 150 Ų | 150 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | -134.6 | -178.7 | 89.6 | 32.6 | -16 | 0 | 0 | 0 | 114.3 | |||||
| 403 | R | 33.5 | Very low | 30.1 | Very low | 221 Ų | 221 | 150 Ų | 150 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -120.6 | 124.1 | -149.3 | -177.1 | -177.8 | -175.3 | 174.7 | 2.7 | 115.8 | ||||
| 404 | H | 26.8 | Very low | 30.2 | Very low | 198 Ų | 198 | 153.1 Ų | 153.1 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -153.4 | 164.8 | 148.9 | -108 | 59.9 | 0 | 0 | 0 | 108.2 | ||||
| 405 | G | 28.5 | Very low | 30 | Very low | 72 Ų | 72 | 148.2 Ų | 148.2 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | -144 | -88 | -3.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 406 | G | 29.4 | Very low | 30.3 | Very low | 83 Ų | 83 | 156 Ų | 156 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -164.8 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 407 | G | 28.3 | Very low | 30.3 | Very low | 72 Ų | 72 | 151.4 Ų | 151.4 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 114.4 | 72.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 408 | H | 28.3 | Very low | 30.5 | Very low | 178 Ų | 178 | 150 Ų | 150 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 44.3 | 127.7 | 142 | -72.5 | -66.3 | 0 | 0 | 0 | 124 | ||||
| 409 | M | 30.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 77% | 0.768 | 79% | 0.787 | S | S | * | * | trans | 89.6 | 136.8 | 138.1 | -69.7 | -66.5 | -173.1 | 0 | 0 | 122.3 | ||||
| 410 | N | 30.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | trans | 72.1 | 95.5 | 157.3 | -58.9 | -21.1 | 0 | 0 | 0 | 118.8 | ||||
| 411 | D | 29.7 | Very low | 31.6 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -52.7 | 136.7 | 165.7 | -64.4 | -88.4 | 0 | 0 | 0 | 113.7 | ||||
| 412 | R | 30.8 | Very low | 32.2 | Very low | 230 Ų | 230 | 151.9 Ų | 151.9 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -123.4 | 122.1 | 163.5 | -75.9 | -174.8 | 172.5 | 86.2 | -7 | 109.3 | ||||
| 413 | A | 31.3 | Very low | 32.2 | Very low | 99 Ų | 99 | 152.7 Ų | 152.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -86.6 | 118.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 414 | R | 30.6 | Very low | 32.5 | Very low | 232 Ų | 232 | 149.2 Ų | 149.2 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | 51.5 | 108.9 | 131.3 | -174.2 | 169.7 | -76.1 | 138.4 | -3.7 | 118.6 | ||||
| 415 | A | 30.1 | Very low | 33.1 | Very low | 86 Ų | 86 | 143 Ų | 143 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -59.8 | 147.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 416 | R | 34.7 | Very low | 33.2 | Very low | 247 Ų | 247 | 151.4 Ų | 151.4 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | cis | 75.3 | 132.2 | 40.2 | -72 | -162.4 | 172.5 | -166.2 | -2.2 | 115.2 | ||||
| 417 | S | 31.2 | Very low | 33.3 | Very low | 95 Ų | 95 | 157.9 Ų | 157.9 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | trans | -68 | 156.5 | -178.6 | -171.6 | 0 | 0 | 0 | 0 | 112.8 | D419 | S417-D419 WeakPolarHBondContact CB-OD2 3.37Å; S417-D419 PolarHBondContact O-N 3.25Å; S417-D419 PolarHBondContact OG-OD2 2.92Å | ||
| 418 | M | 31.8 | Very low | 33.3 | Very low | 193 Ų | 193 | 164 Ų | 164 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | trans | -91 | 72.6 | 165.6 | -74.9 | -147.6 | -117 | 0 | 0 | 111 | ||||
| 419 | D | 36.1 | Very low | 33.3 | Very low | 126 Ų | 126 | 166.2 Ų | 166.2 | 67% | 0.674 | 82% | 0.817 | S | S | * | * | trans | -105.2 | 77.3 | 163.8 | -65.8 | -80.2 | 0 | 0 | 0 | 108.4 | S417 | S417-D419 WeakPolarHBondContact CB-OD2 3.37Å; S417-D419 PolarHBondContact O-N 3.25Å; S417-D419 PolarHBondContact OG-OD2 2.92Å | ||
| 420 | N | 33.8 | Very low | 33.3 | Very low | 150 Ų | 150 | 163.7 Ų | 163.7 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -171 | 112.4 | 166.7 | -114.9 | -84.7 | 0 | 0 | 0 | 111.1 | ||||
| 421 | L | 39.7 | Very low | 33.3 | Very low | 160 Ų | 160 | 163.1 Ų | 163.1 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -146.4 | 31.3 | 171.3 | -117.8 | 173.1 | 0 | 0 | 0 | 113.1 | ||||
| 422 | D | 40.6 | Very low | 33.4 | Very low | 162 Ų | 162 | 163.1 Ų | 163.1 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -118 | 50.6 | -178.4 | -84.1 | -58.2 | 0 | 0 | 0 | 112.5 | ||||
| 423 | D | 40 | Very low | 33.8 | Very low | 150 Ų | 150 | 157.7 Ų | 157.7 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -148.2 | 41.9 | 173.5 | -140.7 | -11.2 | 0 | 0 | 0 | 115.5 | ||||
| 424 | V | 39.6 | Very low | 35.1 | Very low | 149 Ų | 149 | 158.4 Ų | 158.4 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | trans | -119 | 66.9 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 425 | G | 39 | Very low | 35.1 | Very low | 68 Ų | 68 | 155.2 Ų | 155.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -139 | -10.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 426 | R | 31.3 | Very low | 34.9 | Very low | 247 Ų | 247 | 161 Ų | 161 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 119.8 | -175.6 | -63.8 | -172.4 | -176.9 | -169.7 | 2 | 114.5 | ||||
| 427 | R | 31.5 | Very low | 34.5 | Very low | 220 Ų | 220 | 153 Ų | 153 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -143 | 159.3 | 156.1 | -79.6 | -161.9 | 177.8 | -153.5 | 1.1 | 110.5 | ||||
| 428 | Y | 28.3 | Very low | 35.3 | Very low | 200 Ų | 200 | 153.5 Ų | 153.5 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 73.4 | 94.5 | 171 | -61.6 | -72.9 | 0 | 0 | 0 | 119.2 | ||||
| 429 | R | 28.3 | Very low | 35.2 | Very low | 225 Ų | 225 | 151.2 Ų | 151.2 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | -151.6 | 112.9 | 119.5 | -142.9 | 74.5 | -136.3 | -144.5 | 1.6 | 112.9 | |||||
| 430 | N | 30.8 | Very low | 35 | Very low | 103 Ų | 103 | 153.5 Ų | 153.5 | 55% | 0.551 | 78% | 0.78 | S | S | * | * | trans | 31.9 | 121.2 | 145.6 | -61.8 | 80.5 | 0 | 0 | 0 | 123.6 | ||||
| 431 | D | 30.5 | Very low | 35.5 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | 64 | 114.8 | 120.4 | -56.6 | -57.6 | 0 | 0 | 0 | 125 | |||||
| 432 | H | 30.5 | Very low | 35.1 | Very low | 168 Ų | 168 | 154 Ų | 154 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | 41.7 | 154.7 | 124.9 | -60.7 | 101.7 | 0 | 0 | 0 | 123.1 | |||||
| 433 | P | 39.7 | Very low | 34.6 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | -134.3 | -164.8 | -47 | 42.5 | -23.4 | 0 | 0 | 0 | 111.5 | ||||
| 434 | P | 59.8 | Low | 34.1 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -112.2 | 156.8 | -158.4 | 40.7 | -35.6 | 0 | 0 | 0 | 119.3 | ||||
| 435 | H | 29.6 | Very low | 33.7 | Very low | 166 Ų | 166 | 159.4 Ų | 159.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 173.2 | 166.9 | 155.4 | -98.2 | 19 | 0 | 0 | 0 | 110.9 | ||||
| 436 | R | 26.1 | Very low | 33.3 | Very low | 206 Ų | 206 | 159.2 Ų | 159.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | cis | -178.7 | 87.5 | -24.5 | 179.1 | -176.4 | -179.4 | 157 | -3.2 | 113.3 | ||||
| 437 | G | 26.8 | Very low | 33.3 | Very low | 79 Ų | 79 | 152.3 Ų | 152.3 | 81% | 0.814 | 76% | 0.761 | S | S | * | * | trans | 60.1 | -167.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 438 | P | 46.8 | Very low | 33.4 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -135.7 | -155.7 | -17.1 | 35.1 | -11.8 | 0 | 0 | 0 | 114.1 | ||||
| 439 | D | 31 | Very low | 33.7 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 74.1 | 143.2 | 163 | -45.7 | -27.3 | 0 | 0 | 0 | 119.3 | ||||
| 440 | E | 30.2 | Very low | 33.9 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | cis | 162.6 | 174.2 | -24.5 | -108.7 | -137.6 | 120 | 0 | 0 | 106.4 | ||||
| 441 | P | 45.1 | Very low | 33.8 | Very low | 75 Ų | 75 | 147.9 Ų | 147.9 | 49% | 0.487 | 76% | 0.763 | S | S | . | * | cis | -142.3 | -178.9 | -35.5 | 41 | -23.3 | 0 | 0 | 0 | 116.9 | ||||
| 442 | R | 32.1 | Very low | 33.7 | Very low | 245 Ų | 245 | 146.9 Ų | 146.9 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | 74 | 144.9 | 162.8 | -57 | 171.4 | -178.6 | 134 | 3.5 | 118.8 | ||||
| 443 | G | 29.8 | Very low | 33.7 | Very low | 74 Ų | 74 | 144.2 Ų | 144.2 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | cis | 165.9 | 145.6 | -16.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 444 | R | 28.8 | Very low | 33.2 | Very low | 252 Ų | 252 | 143.8 Ų | 143.8 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | 66.1 | 143.8 | 143.9 | -152.4 | 178.3 | -166 | -150.9 | 3.1 | 123 | ||||
| 445 | R | 30.9 | Very low | 31.8 | Very low | 249 Ų | 249 | 142.7 Ų | 142.7 | 94% | 0.94 | 77% | 0.766 | S | S | * | * | trans | 88.2 | 145.8 | 163.9 | -153.5 | -177.9 | -153.4 | 165.1 | 3.6 | 115.1 | ||||
| 446 | G | 30.9 | Very low | 31.8 | Very low | 64 Ų | 64 | 146.4 Ų | 146.4 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | cis | 155.1 | 143.1 | -12.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 447 | S | 31 | Very low | 31.9 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 73.4 | 142.1 | -177.2 | -69.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 448 | D | 34.7 | Very low | 32.1 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | 76.3 | 146.5 | 51.3 | -35.2 | -47.2 | 0 | 0 | 0 | 111.6 | |||||
| 449 | D | 34.3 | Very low | 31.4 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | cis | -140.3 | -153.1 | 12.5 | 42.1 | -144.3 | 0 | 0 | 0 | 111.4 | ||||
| 450 | E | 32.2 | Very low | 31.4 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | cis | -152.8 | -90.4 | 5 | -166 | -158.1 | 52.4 | 0 | 0 | 115.2 | ||||
| 451 | W | 28.5 | Very low | 31.6 | Very low | 214 Ų | 214 | 144 Ų | 144 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -148.7 | -172.7 | -158.7 | -96 | -31.3 | 0 | 0 | 0 | 113.1 | ||||
| 452 | S | 29.6 | Very low | 31 | Very low | 95 Ų | 95 | 150 Ų | 150 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -177.6 | 173.7 | -48.9 | -134.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 453 | S | 28.8 | Very low | 30.9 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 69.4 | 152.9 | 159.8 | -70.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 454 | S | 29.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | cis | -166.8 | 174.5 | -10.5 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 455 | A | 31.6 | Very low | 31 | Very low | 90 Ų | 90 | 154.8 Ų | 154.8 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | 76.1 | 148.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 456 | R | 28.8 | Very low | 30.9 | Very low | 243 Ų | 243 | 149.9 Ų | 149.9 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | cis | -152.5 | 161.5 | 2.9 | -140.3 | 168.8 | -170.7 | 179.7 | 3 | 112.8 | ||||
| 457 | S | 29.5 | Very low | 30.7 | Very low | 112 Ų | 112 | 157.2 Ų | 157.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -29.1 | 146.5 | 168.1 | -158.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 458 | G | 29.7 | Very low | 30.8 | Very low | 54 Ų | 54 | 156.9 Ų | 156.9 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | cis | 113.4 | 139.9 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 459 | Y | 31.7 | Very low | 31.2 | Very low | 242 Ų | 242 | 155.8 Ų | 155.8 | 95% | 0.949 | 77% | 0.77 | S | S | * | * | trans | -159.7 | 142.7 | 159.8 | -97.3 | -68 | 0 | 0 | 0 | 109.6 | ||||
| 460 | D | 31.6 | Very low | 31.1 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -148.4 | 170.6 | -178.9 | -168.5 | 4 | 0 | 0 | 0 | 108.1 | ||||
| 461 | D | 34.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 55% | 0.551 | 77% | 0.774 | S | S | * | * | trans | 104 | 144.2 | -174.3 | -65.8 | -26.2 | 0 | 0 | 0 | 115.6 | ||||
| 462 | R | 32.8 | Very low | 31.1 | Very low | 201 Ų | 201 | 154.9 Ų | 154.9 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | cis | -163.7 | 133.9 | -12.4 | -114.1 | 166.3 | -149.2 | 158 | 24.9 | 111.1 | ||||
| 463 | R | 30 | Very low | 31 | Very low | 243 Ų | 243 | 162.7 Ų | 162.7 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | 163.8 | 138.8 | 145.7 | -94.3 | 163.3 | -162.3 | -131.8 | 5.8 | 108.4 | ||||
| 464 | R | 30.2 | Very low | 31 | Very low | 216 Ų | 216 | 160.9 Ų | 160.9 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | cis | -155 | 148.3 | -10.9 | -163 | 179 | -166.6 | -110 | 11.1 | 106.3 | D466 | R464-D466 IonicContact NH1-OD2 3.94Š| ||
| 465 | R | 31.6 | Very low | 31 | Very low | 212 Ų | 212 | 166.6 Ų | 166.6 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -73.7 | 159 | 172.2 | -61.3 | -179.2 | -175.7 | 173.5 | 1.1 | 110.3 | ||||
| 466 | D | 27 | Very low | 31.1 | Very low | 147 Ų | 147 | 167.7 Ų | 167.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | -153.9 | 170.8 | 111.3 | -84.4 | -38.5 | 0 | 0 | 0 | 109.6 | R464 | R464-D466 IonicContact NH1-OD2 3.94Š| |||
| 467 | Y | 28.6 | Very low | 31.3 | Very low | 218 Ų | 218 | 167.3 Ų | 167.3 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -110.9 | 160.9 | -158.4 | -125.2 | -105.5 | 0 | 0 | 0 | 114.4 | ||||
| 468 | S | 31.8 | Very low | 31.9 | Very low | 95 Ų | 95 | 165.6 Ų | 165.6 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -79.7 | 169 | 174.3 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 469 | P | 43 | Very low | 32.4 | Very low | 121 Ų | 121 | 168.6 Ų | 168.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | -138 | 173.7 | 94.1 | 38.8 | -26.5 | 0 | 0 | 0 | 115.7 | |||||
| 470 | D | 31.6 | Very low | 32.4 | Very low | 128 Ų | 128 | 166.3 Ų | 166.3 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | -50.6 | 160.3 | -179.9 | -63.3 | -110 | 0 | 0 | 0 | 116.8 | ||||
| 471 | D | 28.9 | Very low | 32.9 | Very low | 163 Ų | 163 | 163.3 Ų | 163.3 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -137.2 | 147.7 | 133.7 | -148.5 | -24.3 | 0 | 0 | 0 | 111.6 | ||||
| 472 | R | 33.2 | Very low | 32.7 | Very low | 201 Ų | 201 | 162.1 Ų | 162.1 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -134.6 | 108 | -175.3 | -77 | -174.1 | 178.9 | -170.5 | -0.5 | 111.9 | ||||
| 473 | R | 28.1 | Very low | 33.3 | Very low | 259 Ų | 259 | 161 Ų | 161 | 98% | 0.977 | 82% | 0.815 | S | S | * | * | trans | 158.1 | 114.4 | 140.1 | -86.7 | 150.8 | -167.6 | -123.8 | 5.4 | 110 | ||||
| 474 | G | 28.8 | Very low | 33.4 | Very low | 75 Ų | 75 | 157.6 Ų | 157.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -171.7 | 68.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 475 | R | 28.7 | Very low | 33.4 | Very low | 226 Ų | 226 | 150 Ų | 150 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | 65.8 | 144.6 | 159.4 | -83 | -175.7 | 119.6 | 116 | 2.3 | 121.3 | ||||
| 476 | D | 33.7 | Very low | 34.1 | Very low | 113 Ų | 113 | 152 Ų | 152 | 60% | 0.604 | 81% | 0.811 | S | S | * | * | trans | 60.6 | 78.3 | 137 | -52.7 | -21.9 | 0 | 0 | 0 | 120.6 | ||||
| 477 | R | 32.4 | Very low | 34.3 | Very low | 235 Ų | 235 | 156.3 Ų | 156.3 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | 37.2 | 120 | 119.1 | -67.5 | 175.7 | 169.5 | 166.8 | -4.1 | 118.9 | |||||
| 478 | G | 42.4 | Very low | 34.7 | Very low | 76 Ų | 76 | 152.6 Ų | 152.6 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -82.6 | 155.5 | 151 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 479 | P | 39.8 | Very low | 35.2 | Very low | 117 Ų | 117 | 156 Ų | 156 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -106.7 | 145 | 134.9 | -3.7 | 24.2 | 0 | 0 | 0 | 108.8 | ||||
| 480 | Q | 32.2 | Very low | 35 | Very low | 194 Ų | 194 | 153 Ų | 153 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | 68.5 | 123.8 | 58.7 | -160.1 | 170.4 | 74.7 | 0 | 0 | 112.1 | |||||
| 481 | G | 42.5 | Very low | 35.6 | Very low | 86 Ų | 86 | 157.3 Ų | 157.3 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -75.2 | 150.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 482 | G | 28.9 | Very low | 36.5 | Very low | 79 Ų | 79 | 154.7 Ų | 154.7 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -148.9 | 149.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 483 | L | 46.8 | Very low | 37.2 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | -73.2 | 137.1 | 177.3 | -66.4 | 152 | 0 | 0 | 0 | 110.1 | ||||
| 484 | D | 30.8 | Very low | 38.1 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | trans | -160.8 | 154.1 | 150.8 | -131.5 | -29.8 | 0 | 0 | 0 | 115.6 | ||||
| 485 | G | 30.4 | Very low | 39.2 | Very low | 56 Ų | 56 | 145.2 Ų | 145.2 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | trans | 42.1 | 121.9 | 153 | 0 | 0 | 0 | 0 | 0 | 122.5 | R487 | G485-R487 PolarHBondContact O-N 2.98Š| ||
| 486 | R | 46.1 | Very low | 39.9 | Very low | 254 Ų | 254 | 138.9 Ų | 138.9 | 96% | 0.958 | 74% | 0.742 | S | S | * | * | trans | -53.1 | 123.2 | 150.4 | -75.3 | -176.1 | 174.9 | -158 | -0.1 | 109.9 | ||||
| 487 | R | 31.8 | Very low | 40.7 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 74% | 0.736 | S | S | * | * | trans | -135.4 | 153.3 | 158.2 | -70.8 | -168.2 | 175.2 | 158.8 | 3.6 | 110.7 | G485 | G485-R487 PolarHBondContact O-N 2.98Š| ||
| 488 | T | 36.4 | Very low | 41.4 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 87% | 0.865 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.2 | -170.4 | 46.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 489 | H | 42.2 | Very low | 41.6 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.8 | 160.9 | -79.4 | -76.2 | 0 | 0 | 0 | 110.7 | D493 | H489-D493 IonicContact CG-OD2 3.81Å; H489-D493 IonicContact ND1-OD2 2.69Å; H489-D493 PolarHBondContact ND1-OD2 3.17Å |
| 490 | S | 39 | Very low | 42 | Very low | 58 Ų | 58 | 136 Ų | 136 | 41% | 0.406 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -78.1 | 163.9 | 172.3 | -160.4 | 0 | 0 | 0 | 0 | 110.7 | D492 | S490-D492 WeakPolarHBondContact CB-OD2 3.27Å; S490-D492 PolarHBondContact O-N 3.08Å; S490-D492 PolarHBondContact OG-OD2 3.1Å |
| 491 | R | 44.9 | Very low | 42.9 | Very low | 219 Ų | 219 | 135.7 Ų | 135.7 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -67.3 | -18.6 | 172.4 | -173.7 | 173.4 | 175.2 | 178.5 | -2.1 | 112.4 | ||
| 492 | D | 48 | Very low | 43.2 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 58% | 0.578 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -78.7 | -37.4 | -173.1 | -45 | -68.2 | 0 | 0 | 0 | 112.4 | S490 L494 M495 | S490-D492 WeakPolarHBondContact CB-OD2 3.27Å; S490-D492 PolarHBondContact O-N 3.08Å; S490-D492 PolarHBondContact OG-OD2 3.1Å; D492-L494 PolarHBondContact O-N 3.13Å; D492-M495 WeakPolarHBondContact O-CB 3.42Å; D492-M495 PolarHBondContact O-N 2.91Å |
| 493 | D | 47 | Very low | 43.9 | Very low | 84 Ų | 84 | 147 Ų | 147 | 45% | 0.449 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -54.8 | -29.1 | 179.6 | -57.1 | -15.2 | 0 | 0 | 0 | 113 | H489 | H489-D493 IonicContact CG-OD2 3.81Å; H489-D493 IonicContact ND1-OD2 2.69Å; H489-D493 PolarHBondContact ND1-OD2 3.17Å |
| 494 | L | 48.2 | Very low | 43.6 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -79.3 | -24 | 179.1 | -78.1 | 164.4 | 0 | 0 | 0 | 113.5 | D492 E498 | D492-L494 PolarHBondContact O-N 3.13Å; L494-E498 PolarHBondContact O-N 2.88Å |
| 495 | M | 51.2 | Low | 44 | Very low | 129 Ų | 129 | 138 Ų | 138 | 64% | 0.635 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -73.5 | -30.4 | -175.8 | -76.6 | -67.5 | -63.1 | 0 | 0 | 112.8 | D492 R499 | D492-M495 WeakPolarHBondContact O-CB 3.42Å; D492-M495 PolarHBondContact O-N 2.91Å; M495-R499 WeakPolarHBondContact O-CB 3.25Å; M495-R499 PolarHBondContact O-N 3.4Å; M495-R499 VanDerWaalsContact O-N 3.16Å |
| 496 | D | 43.1 | Very low | 44.2 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 50% | 0.497 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -77 | -35.7 | 176.6 | -74.1 | -30.5 | 0 | 0 | 0 | 112 | E498 R499 D500 | D496-E498 VanDerWaalsContact C-N 3.29Å; D496-E498 PolarHBondContact O-N 3.46Å; D496-R499 WeakPolarHBondContact O-CA 3.31Å; D496-R499 VanDerWaalsContact O-CB 3.25Å; D496-R499 WeakPolarHBondContact O-CB 3.45Å; D496-R499 PolarHBondContact O-N 2.84Å; D496-R499 IonicContact OD1-NH1 3.54Å; D496-D500 PolarHBondContact O-N 3.26Å; D496-D500 VanDerWaalsContact O-N 3.15Å |
| 497 | I | 50 | Low | 43.7 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 47% | 0.472 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -63.7 | -34.3 | 172.4 | -61.6 | 174.8 | 0 | 0 | 0 | 111.7 | R499 | I497-R499 VanDerWaalsContact C-N 3.31Å |
| 498 | E | 46.9 | Very low | 44 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 36% | 0.36 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -70.8 | -27.1 | 172.4 | -176.3 | 65.5 | -157.7 | 0 | 0 | 112.1 | L494 D496 R502 | L494-E498 PolarHBondContact O-N 2.88Å; D496-E498 VanDerWaalsContact C-N 3.29Å; D496-E498 PolarHBondContact O-N 3.46Å; E498-R502 IonicContact OE1-CZ 3.22Å; E498-R502 IonicContact OE1-NE 2.92Å; E498-R502 PolarHBondContact OE1-NE 3.16Å; E498-R502 IonicContact OE1-NH2 2.68Å; E498-R502 PolarHBondContact OE1-NH2 3.38Å |
| 499 | R | 47.3 | Very low | 44.4 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 65% | 0.645 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.8 | -47.5 | -176.3 | -157.7 | 178.3 | -151.3 | 148.2 | 3.5 | 112.4 | M495 D496 I497 R501 R502 | M495-R499 WeakPolarHBondContact O-CB 3.25Å; M495-R499 PolarHBondContact O-N 3.4Å; M495-R499 VanDerWaalsContact O-N 3.16Å; D496-R499 WeakPolarHBondContact O-CA 3.31Å; D496-R499 VanDerWaalsContact O-CB 3.25Å; D496-R499 WeakPolarHBondContact O-CB 3.45Å; D496-R499 PolarHBondContact O-N 2.84Å; D496-R499 IonicContact OD1-NH1 3.54Å; I497-R499 VanDerWaalsContact C-N 3.31Å; R499-R501 PolarHBondContact O-N 3.1Å; R499-R502 PolarHBondContact O-N 3.16Å |
| 500 | D | 47.6 | Very low | 44.1 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -59.6 | -28.4 | 178.8 | -75.4 | -13.2 | 0 | 0 | 0 | 112.3 | D496 R502 | D496-D500 PolarHBondContact O-N 3.26Å; D496-D500 VanDerWaalsContact O-N 3.15Å; D500-R502 PolarHBondContact O-N 3.05Å |
| 501 | R | 52.7 | Low | 44.1 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -16.6 | 177.2 | -71.1 | 178.1 | 174.3 | 151.9 | 1.1 | 114.9 | R499 | R499-R501 PolarHBondContact O-N 3.1Š|
| 502 | R | 48 | Very low | 44.1 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 68% | 0.683 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -8.9 | -171.7 | -71.3 | -175.8 | -176.8 | -142.3 | 4 | 115.4 | E498 R499 D500 | E498-R502 IonicContact OE1-CZ 3.22Å; E498-R502 IonicContact OE1-NE 2.92Å; E498-R502 PolarHBondContact OE1-NE 3.16Å; E498-R502 IonicContact OE1-NH2 2.68Å; E498-R502 PolarHBondContact OE1-NH2 3.38Å; R499-R502 PolarHBondContact O-N 3.16Å; D500-R502 PolarHBondContact O-N 3.05Å |
| 503 | Y | 44.3 | Very low | 43.8 | Very low | 221 Ų | 221 | 131.3 Ų | 131.3 | 87% | 0.867 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -128.8 | 46.6 | -177.9 | -83 | -85.4 | 0 | 0 | 0 | 113.3 | ||
| 504 | G | 40.2 | Very low | 44 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -137.9 | 54.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 505 | G | 38.7 | Very low | 44.3 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 92% | 0.918 | 71% | 0.712 | S | S | * | * | trans | -89.9 | 117 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 506 | G | 34 | Very low | 44.6 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | trans | 133.8 | 95 | 160 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 507 | A | 36.7 | Very low | 45.6 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 71% | 0.71 | S | S | * | * | trans | 38.4 | 115.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 508 | R | 36.5 | Very low | 46.4 | Very low | 249 Ų | 249 | 135.5 Ų | 135.5 | 94% | 0.94 | 72% | 0.718 | S | S | * | * | -164.4 | 161.7 | 103.3 | -102 | 159 | -171.2 | -174.8 | 2.9 | 112 | G510 | R508-G510 PolarHBondContact O-N 3.07Š| |||
| 509 | S | 46.2 | Very low | 47.3 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | -71.5 | 121.6 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 510 | G | 36.5 | Very low | 48.4 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | -129.4 | 123.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | R508 | R508-G510 PolarHBondContact O-N 3.07Š| ||
| 511 | R | 38.1 | Very low | 49.9 | Very low | 206 Ų | 206 | 135 Ų | 135 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | -91.5 | 111.6 | 179.5 | 171.8 | 176.1 | 161.8 | 155 | -1.1 | 107.9 | D513 | R511-D513 IonicContact CZ-OD1 2.76Å; R511-D513 VanDerWaalsContact CZ-OD1 3.3Å; R511-D513 IonicContact NE-OD1 3.35Å; R511-D513 PolarHBondContact NE-OD1 3Å; R511-D513 IonicContact NE-OD2 3.8Å; R511-D513 IonicContact NH2-OD1 3.23Å; R511-D513 PolarHBondContact NH2-OD1 3.48Å; R511-D513 PolarHBondContact O-N 3.23Å; R511-D513 VanDerWaalsContact O-N 3.16Å | ||
| 512 | E | 43.9 | Very low | 51 | Low | 160 Ų | 160 | 128.7 Ų | 128.7 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -75 | 97.7 | 169.2 | -66.7 | 178.7 | 173.9 | 0 | 0 | 107.8 | Y514 | E512-Y514 PolarHBondContact O-N 3.09Š| ||
| 513 | D | 43.6 | Very low | 52.3 | Low | 116 Ų | 116 | 125.7 Ų | 125.7 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | trans | -73.1 | 115.2 | 169.9 | -76.3 | -50.3 | 0 | 0 | 0 | 108.5 | R511 | R511-D513 IonicContact CZ-OD1 2.76Å; R511-D513 VanDerWaalsContact CZ-OD1 3.3Å; R511-D513 IonicContact NE-OD1 3.35Å; R511-D513 PolarHBondContact NE-OD1 3Å; R511-D513 IonicContact NE-OD2 3.8Å; R511-D513 IonicContact NH2-OD1 3.23Å; R511-D513 PolarHBondContact NH2-OD1 3.48Å; R511-D513 PolarHBondContact O-N 3.23Å; R511-D513 VanDerWaalsContact O-N 3.16Å | ||
| 514 | Y | 49.3 | Very low | 53.8 | Low | 193 Ų | 193 | 120.3 Ų | 120.3 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | trans | -72.2 | 142.6 | 179.3 | -74.3 | -84.6 | 0 | 0 | 0 | 111.7 | E512 D516 | E512-Y514 PolarHBondContact O-N 3.09Å; Y514-D516 PolarHBondContact O-N 3.05Å | ||
| 515 | D | 54.9 | Low | 55.5 | Low | 130 Ų | 130 | 125 Ų | 125 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | trans | -75.6 | 81.3 | 179.5 | -127.8 | -47.2 | 0 | 0 | 0 | 111.3 | S517 V518 | D515-S517 PolarHBondContact O-N 3.48Å; D515-S517 PolarHBondContact OD1-OG 3.45Å; D515-V518 PolarHBondContact O-N 3.48Å | ||
| 516 | D | 58 | Low | 57.6 | Low | 115 Ų | 115 | 126.9 Ų | 126.9 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -57.4 | -11.7 | 176.9 | -86.9 | -33.9 | 0 | 0 | 0 | 113.7 | Y514 V518 L519 R520 | Y514-D516 PolarHBondContact O-N 3.05Å; D516-V518 VanDerWaalsContact C-N 3.35Å; D516-V518 PolarHBondContact O-N 3.46Å; D516-L519 PolarHBondContact O-N 3.38Å; D516-R520 WeakPolarHBondContact O-CB 3.49Å; D516-R520 PolarHBondContact O-N 3.18Å |
| 517 | S | 64.9 | Low | 59.8 | Low | 67 Ų | 67 | 131.6 Ų | 131.6 | 47% | 0.469 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -50.8 | -49.1 | 176.4 | 55 | 0 | 0 | 0 | 0 | 112.6 | D515 R520 E521 | D515-S517 PolarHBondContact O-N 3.48Å; D515-S517 PolarHBondContact OD1-OG 3.45Å; S517-R520 PolarHBondContact O-N 3.29Å; S517-E521 PolarHBondContact O-N 3.05Å |
| 518 | V | 65.6 | Low | 61.7 | Low | 105 Ų | 105 | 131.6 Ų | 131.6 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | D515 D516 E521 A522 | D515-V518 PolarHBondContact O-N 3.48Å; D516-V518 VanDerWaalsContact C-N 3.35Å; D516-V518 PolarHBondContact O-N 3.46Å; V518-E521 PolarHBondContact O-N 3.24Å; V518-A522 WeakPolarHBondContact O-CB 3.42Å; V518-A522 PolarHBondContact O-N 3.47Å |
| 519 | L | 66.3 | Low | 63.6 | Low | 107 Ų | 107 | 120.9 Ų | 120.9 | 56% | 0.56 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.2 | -38.6 | 179 | -160.1 | 76.7 | 0 | 0 | 0 | 111.2 | D516 A522 M523 | D516-L519 PolarHBondContact O-N 3.38Å; L519-A522 PolarHBondContact O-N 2.93Å; L519-M523 WeakPolarHBondContact O-CG 3.48Å; L519-M523 PolarHBondContact O-N 3.26Å |
| 520 | R | 71.4 | Confident | 64.9 | Low | 175 Ų | 175 | 119.4 Ų | 119.4 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.5 | -44.6 | 175.9 | -154.4 | -174.1 | 92.9 | 165 | 7.9 | 111.5 | D516 S517 M523 E524 | D516-R520 WeakPolarHBondContact O-CB 3.49Å; D516-R520 PolarHBondContact O-N 3.18Å; S517-R520 PolarHBondContact O-N 3.29Å; R520-M523 PolarHBondContact O-N 2.82Å; R520-E524 WeakPolarHBondContact O-CB 3.42Å; R520-E524 PolarHBondContact O-N 2.7Å |
| 521 | E | 78.6 | Confident | 66.6 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 44% | 0.444 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.7 | -40.6 | 176.5 | -163.4 | -170.9 | 164.3 | 0 | 0 | 111.7 | S517 V518 M523 E524 R525 | S517-E521 PolarHBondContact O-N 3.05Å; V518-E521 PolarHBondContact O-N 3.24Å; E521-M523 PolarHBondContact O-N 2.91Å; E521-E524 PolarHBondContact O-N 3.43Å; E521-R525 HydrophobicContact CG-CG 4.48Å; E521-R525 WeakPolarHBondContact O-CB 3.46Å; E521-R525 VanDerWaalsContact O-CG 3.32Å; E521-R525 WeakPolarHBondContact O-CG 3.38Å; E521-R525 PolarHBondContact O-N 3.5Å; E521-R525 IonicContact OE1-CZ 3.91Å; E521-R525 IonicContact OE1-NE 3.38Å; E521-R525 PolarHBondContact OE1-NE 3.28Å; E521-R525 IonicContact OE1-NH2 3.8Å; E521-R525 PolarHBondContact OE1-NH2 2.87Å |
| 522 | A | 75.4 | Confident | 68.1 | Low | 57 Ų | 57 | 117.9 Ų | 117.9 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V518 L519 K526 | V518-A522 WeakPolarHBondContact O-CB 3.42Å; V518-A522 PolarHBondContact O-N 3.47Å; L519-A522 PolarHBondContact O-N 2.93Å; A522-K526 WeakPolarHBondContact O-CB 3.34Å; A522-K526 PolarHBondContact O-N 2.77Å |
| 523 | M | 74.9 | Confident | 69.2 | Low | 118 Ų | 118 | 118.9 Ų | 118.9 | 58% | 0.581 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 174.5 | -73.3 | -165.7 | -71.6 | 0 | 0 | 112.7 | L519 R520 E521 K526 R527 | L519-M523 WeakPolarHBondContact O-CG 3.48Å; L519-M523 PolarHBondContact O-N 3.26Å; R520-M523 PolarHBondContact O-N 2.82Å; E521-M523 PolarHBondContact O-N 2.91Å; M523-K526 PolarHBondContact O-N 3.14Å; M523-R527 WeakPolarHBondContact O-CB 3.46Å; M523-R527 PolarHBondContact O-N 3.28Å |
| 524 | E | 76.2 | Confident | 70.2 | Confident | 107 Ų | 107 | 115.9 Ų | 115.9 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67 | -44.8 | 178 | -170.3 | 152.5 | -149.6 | 0 | 0 | 111.5 | R520 E521 K526 R527 L528 | R520-E524 WeakPolarHBondContact O-CB 3.42Å; R520-E524 PolarHBondContact O-N 2.7Å; E521-E524 PolarHBondContact O-N 3.43Å; E524-K526 PolarHBondContact O-N 2.66Å; E524-R527 PolarHBondContact O-N 3.09Å; E524-L528 WeakPolarHBondContact O-CG 3.26Å; E524-L528 PolarHBondContact O-N 3.04Å |
| 525 | R | 76.3 | Confident | 70.7 | Confident | 169 Ų | 169 | 115.2 Ų | 115.2 | 64% | 0.638 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.7 | -42.8 | 171.1 | -70.7 | 174.4 | 179.3 | -142.8 | 7 | 112 | E521 L528 G529 | E521-R525 HydrophobicContact CG-CG 4.48Å; E521-R525 WeakPolarHBondContact O-CB 3.46Å; E521-R525 VanDerWaalsContact O-CG 3.32Å; E521-R525 WeakPolarHBondContact O-CG 3.38Å; E521-R525 PolarHBondContact O-N 3.5Å; E521-R525 IonicContact OE1-CZ 3.91Å; E521-R525 IonicContact OE1-NE 3.38Å; E521-R525 PolarHBondContact OE1-NE 3.28Å; E521-R525 IonicContact OE1-NH2 3.8Å; E521-R525 PolarHBondContact OE1-NH2 2.87Å; R525-L528 PolarHBondContact O-N 3.18Å; R525-G529 PolarHBondContact O-N 2.99Å; R525-G529 VanDerWaalsContact O-N 3.1Å |
| 526 | K | 82.6 | Confident | 70.9 | Confident | 130 Ų | 130 | 112.1 Ų | 112.1 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 176.5 | -173.6 | 174.7 | -175.1 | -80.1 | 0 | 111.9 | A522 M523 E524 L528 G529 E530 | A522-K526 WeakPolarHBondContact O-CB 3.34Å; A522-K526 PolarHBondContact O-N 2.77Å; M523-K526 PolarHBondContact O-N 3.14Å; E524-K526 PolarHBondContact O-N 2.66Å; K526-L528 VanDerWaalsContact C-N 3.32Å; K526-L528 PolarHBondContact O-N 3.15Å; K526-G529 PolarHBondContact O-N 3.16Å; K526-E530 WeakPolarHBondContact CE-OE1 3.33Å; K526-E530 IonicContact NZ-OE1 3.08Å; K526-E530 PolarHBondContact NZ-OE1 2.92Å; K526-E530 IonicContact NZ-OE2 2.64Å; K526-E530 WeakPolarHBondContact O-CG 3.44Å; K526-E530 PolarHBondContact O-N 2.92Å |
| 527 | R | 79.3 | Confident | 70.8 | Confident | 172 Ų | 172 | 112.4 Ų | 112.4 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.3 | -39.3 | 178.5 | -173.9 | -179 | -175.3 | -173.5 | 2.6 | 112.3 | M523 E524 E530 Q531 | M523-R527 WeakPolarHBondContact O-CB 3.46Å; M523-R527 PolarHBondContact O-N 3.28Å; E524-R527 PolarHBondContact O-N 3.09Å; R527-E530 PolarHBondContact O-N 2.68Å; R527-Q531 PolarHBondContact O-N 3.05Å |
| 528 | L | 76.3 | Confident | 70.3 | Confident | 96 Ų | 96 | 115.1 Ų | 115.1 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 175.3 | -70.7 | 168.6 | 0 | 0 | 0 | 111.8 | E524 R525 K526 E530 Q531 Q532 | E524-L528 WeakPolarHBondContact O-CG 3.26Å; E524-L528 PolarHBondContact O-N 3.04Å; R525-L528 PolarHBondContact O-N 3.18Å; K526-L528 VanDerWaalsContact C-N 3.32Å; K526-L528 PolarHBondContact O-N 3.15Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 3.2Å; L528-Q531 PolarHBondContact O-N 2.57Å; L528-Q532 WeakPolarHBondContact O-CG 3.41Å; L528-Q532 PolarHBondContact O-N 2.72Å |
| 529 | G | 78.1 | Confident | 69.5 | Low | 25 Ų | 25 | 118.7 Ų | 118.7 | 26% | 0.258 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R525 K526 R533 | R525-G529 PolarHBondContact O-N 2.99Å; R525-G529 VanDerWaalsContact O-N 3.1Å; K526-G529 PolarHBondContact O-N 3.16Å; G529-R533 PolarHBondContact O-N 3.38Å |
| 530 | E | 71.9 | Confident | 68.9 | Low | 95 Ų | 95 | 119.2 Ų | 119.2 | 44% | 0.444 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.9 | -41 | 173.8 | -73.9 | 170.6 | 173.4 | 0 | 0 | 112.1 | K526 R527 L528 Q532 R533 A534 | K526-E530 WeakPolarHBondContact CE-OE1 3.33Å; K526-E530 IonicContact NZ-OE1 3.08Å; K526-E530 PolarHBondContact NZ-OE1 2.92Å; K526-E530 IonicContact NZ-OE2 2.64Å; K526-E530 WeakPolarHBondContact O-CG 3.44Å; K526-E530 PolarHBondContact O-N 2.92Å; R527-E530 PolarHBondContact O-N 2.68Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 3.2Å; E530-Q532 PolarHBondContact O-N 3.08Å; E530-R533 PolarHBondContact O-N 2.63Å; E530-A534 PolarHBondContact O-N 3.22Å |
| 531 | Q | 72.3 | Confident | 67.9 | Low | 97 Ų | 97 | 115.2 Ų | 115.2 | 45% | 0.453 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 172.8 | -77 | -169.6 | -20.5 | 0 | 0 | 113.3 | R527 L528 R535 | R527-Q531 PolarHBondContact O-N 3.05Å; L528-Q531 PolarHBondContact O-N 2.57Å; Q531-R535 WeakPolarHBondContact O-CG 3.25Å; Q531-R535 PolarHBondContact O-N 3.32Å; Q531-R535 VanDerWaalsContact O-N 3.08Å |
| 532 | Q | 69.8 | Low | 66.4 | Low | 146 Ų | 146 | 114.1 Ų | 114.1 | 68% | 0.682 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.9 | -41.1 | 173.4 | -75.6 | -179.2 | -9.3 | 0 | 0 | 111.5 | L528 E530 R535 S536 | L528-Q532 WeakPolarHBondContact O-CG 3.41Å; L528-Q532 PolarHBondContact O-N 2.72Å; E530-Q532 PolarHBondContact O-N 3.08Å; Q532-R535 PolarHBondContact O-N 3.12Å; Q532-S536 PolarHBondContact O-N 3.22Å; Q532-S536 PolarHBondContact O-OG 3.3Å |
| 533 | R | 67.8 | Low | 65 | Low | 182 Ų | 182 | 117.1 Ų | 117.1 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.2 | -47.9 | 173 | -80 | -171.9 | 170.9 | 109.3 | -2 | 112.2 | G529 E530 R535 S536 Q537 | G529-R533 PolarHBondContact O-N 3.38Å; E530-R533 PolarHBondContact O-N 2.63Å; R533-R535 VanDerWaalsContact C-N 3.35Å; R533-R535 PolarHBondContact O-N 2.81Å; R533-S536 WeakPolarHBondContact CA-OG 3.48Å; R533-S536 PolarHBondContact O-N 3.15Å; R533-S536 VanDerWaalsContact O-N 3.08Å; R533-S536 PolarHBondContact O-OG 3.05Å; R533-Q537 PolarHBondContact O-N 3.38Å |
| 534 | A | 63.8 | Low | 63.6 | Low | 52 Ų | 52 | 114.3 Ų | 114.3 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -55.5 | -47.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E530 S536 Q537 E538 | E530-A534 PolarHBondContact O-N 3.22Å; A534-S536 VanDerWaalsContact C-N 3.32Å; A534-S536 PolarHBondContact O-N 3.19Å; A534-Q537 WeakPolarHBondContact O-CB 3.43Å; A534-Q537 PolarHBondContact O-N 3.05Å; A534-E538 PolarHBondContact O-N 3.17Å |
| 535 | R | 59.6 | Low | 62.1 | Low | 180 Ų | 180 | 115.1 Ų | 115.1 | 68% | 0.679 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.7 | -29.6 | 176.5 | -73.9 | -179.4 | 177 | 174.4 | 1.6 | 114.2 | Q531 Q532 R533 Q537 R539 | Q531-R535 WeakPolarHBondContact O-CG 3.25Å; Q531-R535 PolarHBondContact O-N 3.32Å; Q531-R535 VanDerWaalsContact O-N 3.08Å; Q532-R535 PolarHBondContact O-N 3.12Å; R533-R535 VanDerWaalsContact C-N 3.35Å; R533-R535 PolarHBondContact O-N 2.81Å; R535-Q537 VanDerWaalsContact C-N 3.3Å; R535-R539 WeakPolarHBondContact O-CB 3.35Å; R535-R539 PolarHBondContact O-N 2.93Å |
| 536 | S | 59.9 | Low | 60.5 | Low | 64 Ų | 64 | 117.2 Ų | 117.2 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72 | -27.4 | 172.5 | 67.5 | 0 | 0 | 0 | 0 | 112.3 | Q532 R533 A534 L540 | Q532-S536 PolarHBondContact O-N 3.22Å; Q532-S536 PolarHBondContact O-OG 3.3Å; R533-S536 WeakPolarHBondContact CA-OG 3.48Å; R533-S536 PolarHBondContact O-N 3.15Å; R533-S536 VanDerWaalsContact O-N 3.08Å; R533-S536 PolarHBondContact O-OG 3.05Å; A534-S536 VanDerWaalsContact C-N 3.32Å; A534-S536 PolarHBondContact O-N 3.19Å; S536-L540 WeakPolarHBondContact O-CG 3.47Å; S536-L540 PolarHBondContact O-N 2.86Å |
| 537 | Q | 56.2 | Low | 58.4 | Low | 122 Ų | 122 | 115.2 Ų | 115.2 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -79.6 | -49.1 | 179.5 | -163.5 | 154.9 | -3.2 | 0 | 0 | 111.6 | R533 A534 R535 R539 L540 D541 | R533-Q537 PolarHBondContact O-N 3.38Å; A534-Q537 WeakPolarHBondContact O-CB 3.43Å; A534-Q537 PolarHBondContact O-N 3.05Å; R535-Q537 VanDerWaalsContact C-N 3.3Å; Q537-R539 PolarHBondContact O-N 3.48Å; Q537-L540 WeakPolarHBondContact O-CB 3.19Å; Q537-L540 PolarHBondContact O-N 2.92Å; Q537-D541 PolarHBondContact O-N 3.37Å |
| 538 | E | 54.3 | Low | 56.5 | Low | 123 Ų | 123 | 115 Ų | 115 | 58% | 0.575 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -52.3 | -32.5 | 172.4 | -69.5 | 178.3 | 126.9 | 0 | 0 | 112.7 | A534 S542 | A534-E538 PolarHBondContact O-N 3.17Å; E538-S542 WeakPolarHBondContact O-CB 3.19Å; E538-S542 PolarHBondContact O-N 2.87Å; E538-S542 PolarHBondContact O-OG 2.84Å |
| 539 | R | 49 | Very low | 54.7 | Low | 181 Ų | 181 | 121.7 Ų | 121.7 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.4 | -36 | 178.4 | -171 | 173.7 | -175 | 134.9 | 2.2 | 113.2 | R535 Q537 E543 | R535-R539 WeakPolarHBondContact O-CB 3.35Å; R535-R539 PolarHBondContact O-N 2.93Å; Q537-R539 PolarHBondContact O-N 3.48Å; R539-E543 PolarHBondContact O-N 3.47Å |
| 540 | L | 53.1 | Low | 52.9 | Low | 118 Ų | 118 | 123.5 Ų | 123.5 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.8 | -44.4 | 174.1 | -70.5 | 165.9 | 0 | 0 | 0 | 110.4 | S536 Q537 S542 E543 S544 | S536-L540 WeakPolarHBondContact O-CG 3.47Å; S536-L540 PolarHBondContact O-N 2.86Å; Q537-L540 WeakPolarHBondContact O-CB 3.19Å; Q537-L540 PolarHBondContact O-N 2.92Å; L540-S542 PolarHBondContact O-N 3.33Å; L540-E543 PolarHBondContact O-N 2.76Å; L540-S544 PolarHBondContact O-N 2.89Å; L540-S544 VanDerWaalsContact O-N 3.11Å; L540-S544 PolarHBondContact O-OG 3.17Å |
| 541 | D | 50.9 | Low | 51.2 | Low | 90 Ų | 90 | 130.6 Ų | 130.6 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -57.6 | -40.7 | 175.9 | -58.5 | -33.8 | 0 | 0 | 0 | 110.9 | Q537 E543 S544 D545 | Q537-D541 PolarHBondContact O-N 3.37Å; D541-E543 VanDerWaalsContact C-N 3.28Å; D541-E543 PolarHBondContact O-N 3.48Å; D541-S544 WeakPolarHBondContact CA-OG 3.3Å; D541-S544 PolarHBondContact O-N 2.81Å; D541-S544 PolarHBondContact O-OG 2.96Å; D541-D545 PolarHBondContact O-N 3.25Å |
| 542 | S | 46.3 | Very low | 49.2 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 51% | 0.51 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.9 | -18 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 115.3 | E538 L540 | E538-S542 WeakPolarHBondContact O-CB 3.19Å; E538-S542 PolarHBondContact O-N 2.87Å; E538-S542 PolarHBondContact O-OG 2.84Å; L540-S542 PolarHBondContact O-N 3.33Å |
| 543 | E | 46.8 | Very low | 47.5 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 56% | 0.556 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -92.6 | -28.7 | 174.4 | -74.9 | -174 | 74.9 | 0 | 0 | 111.9 | R539 L540 D541 R546 | R539-E543 PolarHBondContact O-N 3.47Å; L540-E543 PolarHBondContact O-N 2.76Å; D541-E543 VanDerWaalsContact C-N 3.28Å; D541-E543 PolarHBondContact O-N 3.48Å; E543-R546 PolarHBondContact O-N 3.37Å |
| 544 | S | 45.2 | Very low | 46.1 | Very low | 60 Ų | 60 | 135.6 Ų | 135.6 | 42% | 0.42 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -60.6 | -47.9 | 169.6 | 22.5 | 0 | 0 | 0 | 0 | 112.9 | L540 D541 R546 S547 | L540-S544 PolarHBondContact O-N 2.89Å; L540-S544 VanDerWaalsContact O-N 3.11Å; L540-S544 PolarHBondContact O-OG 3.17Å; D541-S544 WeakPolarHBondContact CA-OG 3.3Å; D541-S544 PolarHBondContact O-N 2.81Å; D541-S544 PolarHBondContact O-OG 2.96Å; S544-R546 PolarHBondContact O-N 2.93Å; S544-S547 WeakPolarHBondContact O-CB 3.43Å; S544-S547 PolarHBondContact O-N 3.2Å; S544-S547 PolarHBondContact O-OG 3.21Å |
| 545 | D | 44.8 | Very low | 45.2 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -25.5 | -179.7 | -81.5 | 3.7 | 0 | 0 | 0 | 113.6 | D541 | D541-D545 PolarHBondContact O-N 3.25Š|
| 546 | R | 43.5 | Very low | 44.6 | Very low | 213 Ų | 213 | 133.5 Ų | 133.5 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -14.8 | 177.7 | -71.9 | -178.6 | 169.6 | -178.8 | -1.7 | 113.9 | E543 S544 | E543-R546 PolarHBondContact O-N 3.37Å; S544-R546 PolarHBondContact O-N 2.93Å |
| 547 | S | 38.5 | Very low | 43.7 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -25.2 | -177.2 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | S544 | S544-S547 WeakPolarHBondContact O-CB 3.43Å; S544-S547 PolarHBondContact O-N 3.2Å; S544-S547 PolarHBondContact O-OG 3.21Å |
| 548 | E | 38.6 | Very low | 43.1 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -79.9 | -28.6 | -170.2 | -161.9 | 168.1 | -144.1 | 0 | 0 | 114 | G550 | E548-G550 PolarHBondContact O-N 3.4Š|
| 549 | W | 38 | Very low | 42.2 | Very low | 237 Ų | 237 | 138.4 Ų | 138.4 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -72.3 | 6.6 | 179.6 | -74.4 | 85.7 | 0 | 0 | 0 | 114.7 | ||
| 550 | G | 40.5 | Very low | 41.7 | Very low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -86.2 | -2.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | E548 | E548-G550 PolarHBondContact O-N 3.4Š|
| 551 | R | 37.1 | Very low | 40.8 | Very low | 244 Ų | 244 | 139.3 Ų | 139.3 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -134.3 | 45.4 | -172.4 | -67.1 | -164 | -178.6 | -147.3 | 2 | 117.5 | ||
| 552 | G | 30.4 | Very low | 40 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 63.1 | 130.8 | 132.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 553 | Q | 33.9 | Very low | 39.9 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 95% | 0.953 | 77% | 0.767 | S | S | * | * | trans | -145.6 | 153 | 141.2 | -120.5 | 177.4 | 84.5 | 0 | 0 | 110.2 | ||||
| 554 | R | 38.6 | Very low | 39.4 | Very low | 254 Ų | 254 | 144.2 Ų | 144.2 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 116.3 | -176.2 | -76.3 | 178.8 | 172.2 | 163.9 | -3.7 | 111.5 | ||
| 555 | G | 44.5 | Very low | 38.8 | Very low | 64 Ų | 64 | 147.3 Ų | 147.3 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 158.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 556 | P | 45.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 157.7 | 173.3 | 30.8 | -34.9 | 0 | 0 | 0 | 112.2 | ||
| 557 | P | 42.3 | Very low | 37.6 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76 | 150.7 | -174.4 | 31.4 | -36.1 | 0 | 0 | 0 | 113.3 | ||
| 558 | P | 43.6 | Very low | 37.8 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 155.6 | 176.2 | 33.4 | -35.6 | 0 | 0 | 0 | 112.7 | ||
| 559 | L | 34.6 | Very low | 37.4 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -105 | 153.5 | 166.2 | -75.5 | 173.5 | 0 | 0 | 0 | 110.7 | ||||
| 560 | P | 39.8 | Very low | 37 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -89.1 | 146.3 | -166.6 | 34.5 | -35.7 | 0 | 0 | 0 | 113.8 | ||||
| 561 | M | 33.8 | Very low | 36.7 | Very low | 197 Ų | 197 | 147 Ų | 147 | 97% | 0.97 | 82% | 0.824 | S | S | * | * | trans | -146 | 137.8 | 159.2 | -106.2 | -166.3 | 168.3 | 0 | 0 | 111.7 | ||||
| 562 | N | 33.8 | Very low | 36.5 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -170.3 | 147.4 | 179.8 | -167.3 | 56.6 | 0 | 0 | 0 | 108.1 | ||||
| 563 | P | 43.6 | Very low | 36.7 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 63% | 0.63 | 80% | 0.802 | S | S | * | * | cis | -119.7 | -168.3 | -37.7 | 39.2 | -25.5 | 0 | 0 | 0 | 110.7 | ||||
| 564 | P | 36.2 | Very low | 36.6 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -114.7 | 154.1 | 143.8 | 35.5 | -29.3 | 0 | 0 | 0 | 112.3 | ||||
| 565 | S | 33.1 | Very low | 36.9 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -108.3 | 164.4 | -177.7 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 566 | G | 30.1 | Very low | 37.7 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 127.8 | 87.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 567 | I | 32.1 | Very low | 37.5 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | -84.5 | 151.1 | 152.7 | -68.6 | 169.7 | 0 | 0 | 0 | 106.5 | ||||
| 568 | P | 43.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | cis | -125.8 | -176.1 | 24.2 | 18.1 | 8.7 | 0 | 0 | 0 | 114.5 | ||||
| 569 | G | 30.3 | Very low | 37.8 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | cis | 151.4 | -176.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 570 | R | 30.7 | Very low | 38.1 | Very low | 245 Ų | 245 | 140.6 Ų | 140.6 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | 76.7 | 145 | -178.5 | -159.7 | -172.9 | -158.5 | -160.4 | 5.8 | 114.8 | ||||
| 571 | R | 32.9 | Very low | 38.1 | Very low | 202 Ų | 202 | 141 Ų | 141 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | cis | -175.1 | 170 | -34.9 | -146.8 | -176.7 | 177.6 | -121 | 13 | 107.7 | ||||
| 572 | D | 33.9 | Very low | 38.1 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 53% | 0.529 | 78% | 0.782 | S | S | . | * | trans | 74.5 | 114.9 | 155.5 | -49 | -35.5 | 0 | 0 | 0 | 120.9 | ||||
| 573 | D | 33.1 | Very low | 38 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | 76.5 | 105.9 | 130.9 | -54.7 | -22.7 | 0 | 0 | 0 | 127.7 | ||||
| 574 | F | 33 | Very low | 37.6 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 66.5 | 166.4 | 132.1 | -75.6 | -80.4 | 0 | 0 | 0 | 121.4 | ||||
| 575 | P | 45.3 | Very low | 37.4 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -132.6 | -144.7 | -147.5 | 38.5 | -14.7 | 0 | 0 | 0 | 113.8 | ||||
| 576 | P | 61.4 | Low | 37.4 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | -101.8 | -177.4 | -74.9 | 39.4 | -26.6 | 0 | 0 | 0 | 112.5 | |||||
| 577 | P | 40 | Very low | 37.5 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | -149.6 | -175.3 | 107.7 | 38.4 | -21.3 | 0 | 0 | 0 | 115.6 | |||||
| 578 | R | 40.7 | Very low | 37.5 | Very low | 238 Ų | 238 | 143.4 Ų | 143.4 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -106.6 | -161.7 | 170.8 | -53.5 | -173.4 | -169.7 | -168.9 | 4.3 | 111.1 | ||||
| 579 | P | 52.9 | Low | 36.9 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | -114.9 | 172.4 | -107 | 39.6 | -23.4 | 0 | 0 | 0 | 114.7 | |||||
| 580 | P | 40.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -85.6 | 163.3 | 165.2 | 34.8 | -32.7 | 0 | 0 | 0 | 113 | ||||
| 581 | P | 38.6 | Very low | 37.2 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | trans | -107.5 | -176.9 | -160.7 | 41.9 | -36.7 | 0 | 0 | 0 | 116.1 | ||||
| 582 | Y | 35.2 | Very low | 37.3 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | -76.3 | 147.1 | 175.7 | -135.4 | -95.9 | 0 | 0 | 0 | 112.8 | ||||
| 583 | S | 30.7 | Very low | 37.2 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -162.3 | 128.1 | 157 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 584 | D | 34.7 | Very low | 37.4 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -83.8 | 144.8 | -174.7 | -49.1 | -97.4 | 0 | 0 | 0 | 113.7 | ||||
| 585 | N | 33.8 | Very low | 37.4 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -155 | 157.9 | 151.5 | 59.5 | -7.6 | 0 | 0 | 0 | 115.1 | ||||
| 586 | E | 31.9 | Very low | 36.9 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -57.6 | 161 | 173 | -68.4 | 167.3 | 117.5 | 0 | 0 | 113.9 | ||||
| 587 | S | 32.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | -175.8 | -172.4 | -10.3 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 588 | V | 32.1 | Very low | 35.5 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | 68.5 | 141.1 | 161.9 | -119.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 589 | S | 30.5 | Very low | 35.2 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 45.5 | 109.4 | 150.4 | -67.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 590 | S | 30.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | cis | 91.2 | 107.2 | 48.2 | 77.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 591 | S | 37.3 | Very low | 34 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -146.9 | 122.4 | 147.5 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 592 | Q | 33.7 | Very low | 33.9 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | 1.1 | 148.9 | 152.5 | -51.6 | -175.4 | 17.6 | 0 | 0 | 118.7 | ||||
| 593 | K | 31.7 | Very low | 33.7 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | cis | -166.1 | 136.7 | 30.6 | -144.4 | 163.3 | 178.9 | 170.3 | 0 | 112.8 | ||||
| 594 | T | 37.3 | Very low | 34.3 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 64% | 0.638 | 78% | 0.778 | S | S | * | * | trans | 29.7 | 137.4 | 144.6 | 67.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 595 | N | 32.9 | Very low | 34.6 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | cis | -159.3 | 149 | 39.3 | -70.6 | -87.3 | 0 | 0 | 0 | 111.9 | ||||
| 596 | L | 35.8 | Very low | 34.7 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | -178.6 | 150.7 | 113.8 | -101 | 150.4 | 0 | 0 | 0 | 112.7 | |||||
| 597 | R | 35.8 | Very low | 34.9 | Very low | 230 Ų | 230 | 141.3 Ų | 141.3 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -99.2 | 164.2 | 175.2 | -85.9 | -176.8 | 168.8 | -176.9 | -2.2 | 109.3 | ||||
| 598 | K | 35.4 | Very low | 35 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | cis | -174.1 | 115 | -19.8 | 167.8 | -175.7 | 176.2 | -174.6 | 0 | 106.5 | ||||
| 599 | N | 33.9 | Very low | 35.1 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -79.7 | 146 | 159.3 | -70.7 | -12.2 | 0 | 0 | 0 | 108.6 | ||||
| 600 | G | 33.4 | Very low | 35.3 | Very low | 69 Ų | 69 | 148.9 Ų | 148.9 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -133.9 | 121.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 601 | A | 35 | Very low | 35.5 | Very low | 93 Ų | 93 | 150.8 Ų | 150.8 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -153.5 | 161.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 602 | V | 36.8 | Very low | 35.4 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | 77.9 | 137.6 | 166.9 | -167.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 603 | S | 32.3 | Very low | 35.5 | Very low | 101 Ų | 101 | 151.9 Ų | 151.9 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | 115.3 | 117.3 | 163.7 | -66.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 604 | R | 41.9 | Very low | 35.8 | Very low | 240 Ų | 240 | 150.9 Ų | 150.9 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | cis | 72.5 | 58.8 | 3.1 | -147.8 | -178.4 | -171.1 | 175.4 | 4 | 118.5 | ||||
| 605 | E | 42.3 | Very low | 35.7 | Very low | 184 Ų | 184 | 154.1 Ų | 154.1 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -132.1 | 157.9 | 142.1 | -89.4 | 159.3 | -147 | 0 | 0 | 105.4 | ||||
| 606 | S | 35.7 | Very low | 35.9 | Very low | 118 Ų | 118 | 155 Ų | 155 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | cis | -143.7 | 177.1 | 40 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 607 | L | 36.7 | Very low | 35.9 | Very low | 156 Ų | 156 | 153.5 Ų | 153.5 | 82% | 0.817 | 84% | 0.841 | S | S | * | * | trans | -107.8 | -163.2 | 175.9 | -138.8 | 147.3 | 0 | 0 | 0 | 110.2 | ||||
| 608 | V | 34.5 | Very low | 35.9 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | 81.7 | 131 | -177 | -173.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 609 | V | 32.8 | Very low | 35.9 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 100% | 1.218 | 85% | 0.849 | S | S | * | * | cis | -99.8 | 0 | -3.1 | -178.7 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 609 of 609 residues in 814.4 ms
(Link to these results)