| 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 | 41.3 | Very low | 44.6 | Very low | 246 Ų | 246 | 164.5 Ų | 164.5 | 100% | 1.212 | 79% | 0.794 | S | S | * | * | 0 | 114.1 | 0 | -96.8 | -174.8 | -86.8 | 0 | 0 | 107.7 | Q3 | M1-Q3 PolarHBondContact O-N 3.04Š| |||
| 2 | F | 44.1 | Very low | 45.1 | Very low | 181 Ų | 181 | 160.8 Ų | 160.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -84.6 | 99.2 | -171.1 | -162 | -104.1 | 0 | 0 | 0 | 108.7 | L4 | F2-L4 HydrophobicContact CD1-CD1 3.51Å; F2-L4 HydrophobicContact CD1-CG 3.68Å; F2-L4 HydrophobicContact CE1-CD1 3.54Å; F2-L4 HydrophobicContact CE1-CD2 4.17Å; F2-L4 HydrophobicContact CE1-CG 3.5Å; F2-L4 PolarHBondContact O-N 3.41Å | ||
| 3 | Q | 42.7 | Very low | 46.2 | Very low | 172 Ų | 172 | 151.5 Ų | 151.5 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -84.1 | 92.6 | 168.5 | -88.7 | -172.4 | -20.5 | 0 | 0 | 108.3 | M1 F5 | M1-Q3 PolarHBondContact O-N 3.04Å; Q3-F5 VanDerWaalsContact C-N 3.31Å; Q3-F5 PolarHBondContact O-N 3.1Å | ||
| 4 | L | 49 | Very low | 47.8 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | -60 | 97 | 158.7 | -89.4 | 137.7 | 0 | 0 | 0 | 107.8 | F2 F6 | F2-L4 HydrophobicContact CD1-CD1 3.51Å; F2-L4 HydrophobicContact CD1-CG 3.68Å; F2-L4 HydrophobicContact CE1-CD1 3.54Å; F2-L4 HydrophobicContact CE1-CD2 4.17Å; F2-L4 HydrophobicContact CE1-CG 3.5Å; F2-L4 PolarHBondContact O-N 3.41Å; L4-F6 VanDerWaalsContact C-N 3.29Å; L4-F6 PolarHBondContact O-N 3.21Å | ||
| 5 | F | 54.6 | Low | 50 | Low | 163 Ų | 163 | 145.3 Ų | 145.3 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | -63.3 | 99.8 | 156.7 | -103.7 | -94.9 | 0 | 0 | 0 | 106.7 | Q3 F7 | Q3-F5 VanDerWaalsContact C-N 3.31Å; Q3-F5 PolarHBondContact O-N 3.1Å; F5-F7 VanDerWaalsContact C-N 3.26Å; F5-F7 PolarHBondContact O-N 3.35Å | ||
| 6 | F | 46 | Very low | 52.3 | Low | 175 Ų | 175 | 140.8 Ų | 140.8 | 77% | 0.768 | 72% | 0.717 | S | S | * | * | trans | -60.3 | 94.3 | 164.7 | -112.5 | -96.1 | 0 | 0 | 0 | 106.9 | L4 V8 | L4-F6 VanDerWaalsContact C-N 3.29Å; L4-F6 PolarHBondContact O-N 3.21Å; F6-V8 HydrophobicContact CB-CG2 4.41Å; F6-V8 HydrophobicContact CD1-CG2 4.27Å; F6-V8 PolarHBondContact O-N 2.88Å | ||
| 7 | F | 40.9 | Very low | 54.5 | Low | 185 Ų | 185 | 138.8 Ų | 138.8 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | trans | -65.8 | 85.6 | 154.1 | -81.3 | -87.6 | 0 | 0 | 0 | 105.6 | F5 L9 | F5-F7 VanDerWaalsContact C-N 3.26Å; F5-F7 PolarHBondContact O-N 3.35Å; F7-L9 PolarHBondContact O-N 3.39Å | ||
| 8 | V | 50.6 | Low | 56.5 | Low | 98 Ų | 98 | 132.9 Ų | 132.9 | 59% | 0.594 | 68% | 0.677 | S | S | * | * | trans | -58.9 | 102.2 | 161.1 | -178.7 | 0 | 0 | 0 | 0 | 104.3 | F6 F10 | F6-V8 HydrophobicContact CB-CG2 4.41Å; F6-V8 HydrophobicContact CD1-CG2 4.27Å; F6-V8 PolarHBondContact O-N 2.88Å; V8-F10 PolarHBondContact O-N 3.3Å | ||
| 9 | L | 40.7 | Very low | 58.2 | Low | 154 Ų | 154 | 126.7 Ų | 126.7 | 81% | 0.806 | 65% | 0.647 | S | S | * | * | trans | -52.7 | 97.4 | 163.7 | -75.6 | 155.8 | 0 | 0 | 0 | 105.2 | F7 T11 | F7-L9 PolarHBondContact O-N 3.39Å; L9-T11 PolarHBondContact O-N 2.97Å | ||
| 10 | F | 37.2 | Very low | 59.9 | Low | 189 Ų | 189 | 124.4 Ų | 124.4 | 83% | 0.829 | 64% | 0.639 | S | S | * | * | trans | -56.8 | 100.6 | 159.3 | -81.4 | -91.4 | 0 | 0 | 0 | 104.3 | V8 P12 | V8-F10 PolarHBondContact O-N 3.3Å; F10-P12 WeakPolarHBondContact O-CD 3.43Å | ||
| 11 | T | 43.6 | Very low | 61.4 | Low | 124 Ų | 124 | 120 Ų | 120 | 76% | 0.761 | 62% | 0.62 | S | S | * | * | trans | -60.5 | 109.4 | 168.4 | 40.7 | 0 | 0 | 0 | 0 | 105 | L9 G13 | L9-T11 PolarHBondContact O-N 2.97Å; T11-G13 PolarHBondContact O-N 3.32Å | ||
| 12 | P | 50.7 | Low | 63.8 | Low | 120 Ų | 120 | 112.8 Ų | 112.8 | 78% | 0.779 | 59% | 0.594 | S | S | * | * | trans | -59.8 | 139.3 | 176 | -12.4 | 28.2 | 0 | 0 | 0 | 106.4 | F10 | F10-P12 WeakPolarHBondContact O-CD 3.43Š| ||
| 13 | G | 59.9 | Low | 65.9 | Low | 40 Ų | 40 | 104.4 Ų | 104.4 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | trans | -40.1 | 140.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T11 S15 T29 | T11-G13 PolarHBondContact O-N 3.32Å; G13-S15 PolarHBondContact O-N 3.28Å; G13-T29 WeakPolarHBondContact O-CG2 3.18Å | ||
| 14 | L | 68.1 | Low | 68.1 | Low | 142 Ų | 142 | 96.2 Ų | 96.2 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | trans | -42.9 | 109.1 | -177.7 | -178.4 | 69.9 | 0 | 0 | 0 | 111.2 | K16 | L14-K16 PolarHBondContact O-N 2.95Š| ||
| 15 | S | 80.4 | Confident | 70.2 | Confident | 69 Ų | 69 | 93.8 Ų | 93.8 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | trans | -68.5 | 126 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | G13 | G13-S15 PolarHBondContact O-N 3.28Š| ||
| 16 | K | 87.3 | Confident | 72 | Confident | 73 Ų | 73 | 86.4 Ų | 86.4 | 32% | 0.317 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.5 | 176.4 | -71.3 | 178.6 | 177 | -177.6 | 0 | 108.6 | L14 L18 S27 Y28 | L14-K16 PolarHBondContact O-N 2.95Å; K16-L18 PolarHBondContact O-N 3.42Å; K16-S27 CarbonylContact O-C 3.52Å; K16-S27 VanDerWaalsContact O-CA 3.27Å; K16-S27 WeakPolarHBondContact O-CA 3.19Å; K16-S27 WeakPolarHBondContact O-CB 3.29Å; K16-Y28 HydrophobicContact CB-CD1 3.95Å; K16-Y28 HydrophobicContact CB-CE1 3.49Å; K16-Y28 VanDerWaalsContact CB-CE1 3.49Å; K16-Y28 HydrophobicContact CD-CE1 4.11Å; K16-Y28 HydrophobicContact CD-CE2 4.15Å; K16-Y28 WeakPolarHBondContact CD-OH 3.4Å; K16-Y28 HydrophobicContact CG-CE1 4.45Å; K16-Y28 PolarHBondContact N-O 2.71Å; K16-Y28 WeakPolarHBondContact O-CD1 3.48Å; K16-Y28 PolarHBondContact O-N 2.77Å |
| 17 | L | 89.6 | Confident | 74.3 | Confident | 107 Ų | 107 | 78.9 Ų | 78.9 | 56% | 0.56 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.6 | 172.4 | -174.5 | 69.4 | 0 | 0 | 0 | 108.9 | T20 E25 | L17-T20 HydrophobicContact CD2-CG2 4.02Å; L17-E25 HydrophobicContact CD1-CG 4.1Å |
| 18 | L | 90.1 | Very high | 76.7 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -49.7 | 175.7 | -73.4 | 161.7 | 0 | 0 | 0 | 110.5 | K16 I26 Y28 F40 I42 F146 | K16-L18 PolarHBondContact O-N 3.42Å; L18-I26 HydrophobicContact CB-CB 4.26Å; L18-I26 HydrophobicContact CB-CG2 4.36Å; L18-I26 WeakPolarHBondContact CB-O 3.24Å; L18-I26 HydrophobicContact CD1-CG2 3.71Å; L18-I26 PolarHBondContact N-O 2.78Å; L18-Y28 HydrophobicContact CD1-CD1 3.51Å; L18-Y28 HydrophobicContact CD1-CE1 4.25Å; L18-Y28 HydrophobicContact CD1-CG 4.23Å; L18-Y28 HydrophobicContact CD2-CD1 3.66Å; L18-Y28 HydrophobicContact CD2-CE1 3.51Å; L18-Y28 HydrophobicContact CG-CD1 3.47Å; L18-Y28 VanDerWaalsContact CG-CD1 3.47Å; L18-Y28 HydrophobicContact CG-CE1 3.82Å; L18-F40 HydrophobicContact CD2-CB 3.3Å; L18-F40 HydrophobicContact CD2-CD2 4.19Å; L18-F40 HydrophobicContact CD2-CG 4.07Å; L18-I42 HydrophobicContact CD1-CD1 4.48Å; L18-F146 HydrophobicContact CD1-CD1 3.52Å; L18-F146 HydrophobicContact CD1-CE1 3.47Å; L18-F146 VanDerWaalsContact CD1-CE1 3.47Å |
| 19 | C | 90 | Very high | 78.7 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 10% | 0.101 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 151.2 | -179.3 | 87.3 | 0 | 0 | 0 | 0 | 110.5 | I26 C45 | C19-I26 PolarHBondContact N-O 2.94Å; C19-I26 PolarHBondContact O-N 2.79Å; C19-C45 HydrophobicContact CB-CB 3.39Å; C19-C45 WeakPolarHBondContact CB-SG 3.36Å; C19-C45 WeakPolarHBondContact SG-CB 3.33Å; C19-C45 CovalentContact SG-SG 2.02Å; C19-C45 PolarHBondContact SG-SG 3.14Å |
| 20 | T | 92 | Very high | 81 | Confident | 80 Ų | 80 | 61 Ų | 61 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.5 | 175.1 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | L17 C45 | L17-T20 HydrophobicContact CD2-CG2 4.02Å; T20-C45 PolarHBondContact N-SG 2.78Å |
| 21 | S | 91.3 | Very high | 83.2 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | trans | -146.5 | -176.1 | 177.9 | 63 | 0 | 0 | 0 | 0 | 110 | D23 L24 C45 K151 | S21-D23 VanDerWaalsContact C-N 3.29Å; S21-D23 PolarHBondContact O-N 3.2Å; S21-D23 PolarHBondContact OG-OD1 3.1Å; S21-L24 PolarHBondContact N-O 3.46Å; S21-L24 PolarHBondContact OG-N 2.81Å; S21-L24 VanDerWaalsContact OG-N 3.13Å; S21-L24 PolarHBondContact OG-O 2.69Å; S21-C45 WeakPolarHBondContact CB-O 3.39Å; S21-C45 PolarHBondContact OG-O 3.48Å; S21-K151 PolarHBondContact O-NZ 2.98Å | ||
| 22 | S | 90.2 | Very high | 84.8 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 66% | 0.664 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -62.5 | -35.4 | 176.8 | 42 | 0 | 0 | 0 | 0 | 112.9 | K151 | S22-K151 WeakPolarHBondContact O-CD 3.49Š|
| 23 | D | 88.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -111.1 | -14.2 | -171.1 | 60.8 | -66.3 | 0 | 0 | 0 | 113.4 | S21 T46 M47 V48 K151 Q152 | S21-D23 VanDerWaalsContact C-N 3.29Å; S21-D23 PolarHBondContact O-N 3.2Å; S21-D23 PolarHBondContact OG-OD1 3.1Å; D23-T46 VanDerWaalsContact CG-OG1 3.22Å; D23-T46 PolarHBondContact OD1-OG1 3.47Å; D23-T46 WeakPolarHBondContact OD2-CA 3.06Å; D23-T46 PolarHBondContact OD2-OG1 2.87Å; D23-M47 PolarHBondContact OD2-N 2.8Å; D23-V48 HydrophobicContact CB-CG2 3.96Å; D23-V48 PolarHBondContact OD2-N 2.7Å; D23-K151 PolarHBondContact O-N 2.98Å; D23-Q152 HydrophobicContact CB-CB 4.18Å |
| 24 | L | 90.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 143 | -173.9 | -176 | 69 | 0 | 0 | 0 | 112.4 | S21 I26 M47 W53 M148 T149 V150 | S21-L24 PolarHBondContact N-O 3.46Å; S21-L24 PolarHBondContact OG-N 2.81Å; S21-L24 VanDerWaalsContact OG-N 3.13Å; S21-L24 PolarHBondContact OG-O 2.69Å; L24-I26 HydrophobicContact CD1-CD1 4.42Å; L24-I26 HydrophobicContact CD1-CG1 4.14Å; L24-I26 HydrophobicContact CD2-CD1 3.9Å; L24-I26 HydrophobicContact CD2-CG1 4.15Å; L24-I26 HydrophobicContact CG-CD1 4.24Å; L24-I26 HydrophobicContact CG-CG1 3.95Å; L24-M47 HydrophobicContact CD1-CG 4.02Å; L24-M47 HydrophobicContact CD2-CG 4.37Å; L24-W53 HydrophobicContact CD1-CH2 4.21Å; L24-W53 HydrophobicContact CD1-CZ2 4.45Å; L24-W53 HydrophobicContact CD2-CH2 3.68Å; L24-W53 HydrophobicContact CD2-CZ2 3.3Å; L24-W53 HydrophobicContact CG-CZ2 4.48Å; L24-M148 HydrophobicContact CD1-CG 3.69Å; L24-M148 HydrophobicContact CD1-SD 4Å; L24-T149 WeakPolarHBondContact CA-O 3.11Å; L24-V150 HydrophobicContact CD1-CG2 4.27Å |
| 25 | E | 93.4 | Very high | 86.4 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 128.3 | 168.5 | -174 | 173.1 | 135.1 | 0 | 0 | 110 | L17 M148 T149 K151 | L17-E25 HydrophobicContact CD1-CG 4.1Å; E25-M148 CarbonylContact O-C 3.6Å; E25-M148 WeakPolarHBondContact O-CA 3.17Å; E25-T149 PolarHBondContact N-O 2.87Å; E25-T149 PolarHBondContact O-N 2.86Å; E25-K151 WeakPolarHBondContact OE2-CE 3.4Å; E25-K151 IonicContact OE2-NZ 2.88Å; E25-K151 PolarHBondContact OE2-NZ 3.39Å |
| 26 | I | 92.4 | Very high | 86.2 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130 | 179.5 | -47.5 | -177.9 | 0 | 0 | 0 | 108.8 | L18 C19 L24 I42 W53 F146 T147 M148 | L18-I26 HydrophobicContact CB-CB 4.26Å; L18-I26 HydrophobicContact CB-CG2 4.36Å; L18-I26 WeakPolarHBondContact CB-O 3.24Å; L18-I26 HydrophobicContact CD1-CG2 3.71Å; L18-I26 PolarHBondContact N-O 2.78Å; C19-I26 PolarHBondContact N-O 2.94Å; C19-I26 PolarHBondContact O-N 2.79Å; L24-I26 HydrophobicContact CD1-CD1 4.42Å; L24-I26 HydrophobicContact CD1-CG1 4.14Å; L24-I26 HydrophobicContact CD2-CD1 3.9Å; L24-I26 HydrophobicContact CD2-CG1 4.15Å; L24-I26 HydrophobicContact CG-CD1 4.24Å; L24-I26 HydrophobicContact CG-CG1 3.95Å; I26-I42 HydrophobicContact CD1-CD1 4.03Å; I26-W53 HydrophobicContact CD1-CH2 4.25Å; I26-W53 HydrophobicContact CD1-CZ3 4.32Å; I26-F146 HydrophobicContact CG2-CD1 4.36Å; I26-T147 WeakPolarHBondContact CA-O 3.41Å; I26-M148 HydrophobicContact CD1-CG 4.5Å; I26-M148 HydrophobicContact CD1-SD 4.42Å; I26-M148 HydrophobicContact CG1-CB 4.33Å; I26-M148 HydrophobicContact CG1-CG 4.09Å |
| 27 | S | 93.8 | Very high | 86 | Confident | 17 Ų | 17 | 47 Ų | 47 | 12% | 0.119 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 163.6 | 171 | 58.7 | 0 | 0 | 0 | 0 | 110 | K16 F146 T147 | K16-S27 CarbonylContact O-C 3.52Å; K16-S27 VanDerWaalsContact O-CA 3.27Å; K16-S27 WeakPolarHBondContact O-CA 3.19Å; K16-S27 WeakPolarHBondContact O-CB 3.29Å; S27-F146 CarbonylContact O-C 3.29Å; S27-F146 VanDerWaalsContact O-CA 3.23Å; S27-F146 WeakPolarHBondContact O-CA 3.08Å; S27-T147 PolarHBondContact N-O 2.9Å; S27-T147 PolarHBondContact O-N 3.26Å |
| 28 | Y | 92 | Very high | 85.8 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 153 | 172.5 | 74.7 | -75 | 0 | 0 | 0 | 112.2 | K16 L18 F30 F38 F40 L144 N145 F146 | K16-Y28 HydrophobicContact CB-CD1 3.95Å; K16-Y28 HydrophobicContact CB-CE1 3.49Å; K16-Y28 VanDerWaalsContact CB-CE1 3.49Å; K16-Y28 HydrophobicContact CD-CE1 4.11Å; K16-Y28 HydrophobicContact CD-CE2 4.15Å; K16-Y28 WeakPolarHBondContact CD-OH 3.4Å; K16-Y28 HydrophobicContact CG-CE1 4.45Å; K16-Y28 PolarHBondContact N-O 2.71Å; K16-Y28 WeakPolarHBondContact O-CD1 3.48Å; K16-Y28 PolarHBondContact O-N 2.77Å; L18-Y28 HydrophobicContact CD1-CD1 3.51Å; L18-Y28 HydrophobicContact CD1-CE1 4.25Å; L18-Y28 HydrophobicContact CD1-CG 4.23Å; L18-Y28 HydrophobicContact CD2-CD1 3.66Å; L18-Y28 HydrophobicContact CD2-CE1 3.51Å; L18-Y28 HydrophobicContact CG-CD1 3.47Å; L18-Y28 VanDerWaalsContact CG-CD1 3.47Å; L18-Y28 HydrophobicContact CG-CE1 3.82Å; Y28-F30 HydrophobicContact CE2-CE1 4.32Å; Y28-F30 AromaticContact CE2-CE2 3.93Å; Y28-F30 HydrophobicContact CE2-CE2 3.93Å; Y28-F30 AromaticContact CE2-CZ 3.73Å; Y28-F30 HydrophobicContact CE2-CZ 3.73Å; Y28-F38 PolarHBondContact OH-O 2.83Å; Y28-F38 VanDerWaalsContact OH-O 3.07Å; Y28-F40 HydrophobicContact CE1-CD2 4.14Å; Y28-F40 HydrophobicContact CE2-CD2 4.39Å; Y28-F40 HydrophobicContact CE2-CE2 4.28Å; Y28-L144 HydrophobicContact CD2-CD2 3.8Å; Y28-L144 HydrophobicContact CE2-CD2 4.13Å; Y28-N145 CarbonylContact C-O 3.52Å; Y28-N145 VanDerWaalsContact CA-O 3.26Å; Y28-N145 WeakPolarHBondContact CA-O 3.36Å; Y28-F146 HydrophobicContact CG-CD1 4.47Å; Y28-F146 HydrophobicContact CG-CE1 4.26Å |
| 29 | T | 91.1 | Very high | 85.7 | Confident | 33 Ų | 33 | 45 Ų | 45 | 20% | 0.202 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.3 | 171.2 | 57.2 | 0 | 0 | 0 | 0 | 109.2 | G13 N145 | G13-T29 WeakPolarHBondContact O-CG2 3.18Å; T29-N145 PolarHBondContact N-O 2.79Å; T29-N145 PolarHBondContact O-N 2.84Å; T29-N145 PolarHBondContact OG1-O 3.18Å |
| 30 | F | 89.1 | Confident | 85.7 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.5 | 165.2 | -62.2 | -78.9 | 0 | 0 | 0 | 108.2 | Y28 V35 Q36 F38 L144 | Y28-F30 HydrophobicContact CE2-CE1 4.32Å; Y28-F30 AromaticContact CE2-CE2 3.93Å; Y28-F30 HydrophobicContact CE2-CE2 3.93Å; Y28-F30 AromaticContact CE2-CZ 3.73Å; Y28-F30 HydrophobicContact CE2-CZ 3.73Å; F30-V35 HydrophobicContact CD2-CG1 4.25Å; F30-V35 HydrophobicContact CE2-CG1 4Å; F30-Q36 HydrophobicContact CE1-CB 4.12Å; F30-Q36 WeakPolarHBondContact CZ-O 3.24Å; F30-F38 HydrophobicContact CE1-CB 4.34Å; F30-F38 AromaticContact CE1-CD2 3.67Å; F30-F38 HydrophobicContact CE1-CD2 3.67Å; F30-F38 HydrophobicContact CE1-CE2 4.42Å; F30-F38 HydrophobicContact CE1-CG 4.35Å; F30-F38 HydrophobicContact CZ-CB 4.26Å; F30-F38 HydrophobicContact CZ-CD2 4.29Å; F30-L144 HydrophobicContact CD1-CD2 3.6Å; F30-L144 HydrophobicContact CE1-CD2 3.47Å; F30-L144 VanDerWaalsContact CE1-CD2 3.47Å; F30-L144 HydrophobicContact CZ-CD2 4.34Å |
| 31 | C | 84.1 | Confident | 85.6 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -89.1 | -9 | 174.5 | 41.1 | 0 | 0 | 0 | 0 | 113.2 | C143 L144 | C31-C143 HydrophobicContact CB-CB 4.23Å; C31-C143 WeakPolarHBondContact CB-SG 3.43Å; C31-C143 PolarHBondContact N-O 2.81Å; C31-C143 WeakPolarHBondContact SG-CA 3.46Å; C31-C143 WeakPolarHBondContact SG-CB 3.23Å; C31-C143 CovalentContact SG-SG 2.02Å; C31-C143 PolarHBondContact SG-SG 3.24Å; C31-L144 PolarHBondContact SG-N 3.07Å |
| 32 | D | 77.7 | Confident | 85.4 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 32% | 0.316 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -94.6 | 152.6 | 169.2 | -171.6 | 11.9 | 0 | 0 | 0 | 110.5 | V34 C143 | D32-V34 PolarHBondContact O-N 2.96Å; D32-C143 HydrophobicContact CB-CB 3.88Å |
| 33 | S | 71.1 | Confident | 85.3 | Confident | 115 Ų | 115 | 45.1 Ų | 45.1 | 80% | 0.804 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -60 | -18.7 | 173.7 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 34 | V | 70.6 | Confident | 85.4 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -101 | 110 | -174.9 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | D32 Q36 | D32-V34 PolarHBondContact O-N 2.96Å; V34-Q36 PolarHBondContact O-N 3.14Å |
| 35 | V | 70.1 | Confident | 85.3 | Confident | 94 Ų | 94 | 48.5 Ų | 48.5 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | trans | -68.7 | 112.6 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | F30 R62 | F30-V35 HydrophobicContact CD2-CG1 4.25Å; F30-V35 HydrophobicContact CE2-CG1 4Å; V35-R62 PolarHBondContact O-NH2 2.76Å | ||
| 36 | Q | 76.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | trans | -93.7 | 156.9 | 177.8 | -56.5 | -168.4 | 22.4 | 0 | 0 | 111.7 | F30 V34 F38 L141 | F30-Q36 HydrophobicContact CE1-CB 4.12Å; F30-Q36 WeakPolarHBondContact CZ-O 3.24Å; V34-Q36 PolarHBondContact O-N 3.14Å; Q36-F38 HydrophobicContact CB-CD2 3.65Å; Q36-F38 HydrophobicContact CB-CE2 3.6Å; Q36-F38 HydrophobicContact CG-CE2 4.4Å; Q36-F38 PolarHBondContact O-N 3.3Å; Q36-F38 VanDerWaalsContact O-N 3.07Å; Q36-L141 PolarHBondContact NE2-O 3.34Å; Q36-L141 PolarHBondContact OE1-O 2.82Å; Q36-L141 VanDerWaalsContact OE1-O 3.13Å | ||
| 37 | T | 82.9 | Confident | 84.2 | Confident | 69 Ų | 69 | 47.3 Ų | 47.3 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 92.6 | 175.4 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | W59 I60 | T37-W59 WeakPolarHBondContact O-CA 3.39Å; T37-I60 HydrophobicContact CG2-CD1 4.09Å; T37-I60 HydrophobicContact CG2-CG1 4.31Å; T37-I60 PolarHBondContact O-N 2.94Å |
| 38 | F | 86.4 | Confident | 83.3 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129 | 166.6 | -76.9 | -94.8 | 0 | 0 | 0 | 109.2 | Y28 F30 Q36 F40 L57 T58 W59 V142 L144 | Y28-F38 PolarHBondContact OH-O 2.83Å; Y28-F38 VanDerWaalsContact OH-O 3.07Å; F30-F38 HydrophobicContact CE1-CB 4.34Å; F30-F38 AromaticContact CE1-CD2 3.67Å; F30-F38 HydrophobicContact CE1-CD2 3.67Å; F30-F38 HydrophobicContact CE1-CE2 4.42Å; F30-F38 HydrophobicContact CE1-CG 4.35Å; F30-F38 HydrophobicContact CZ-CB 4.26Å; F30-F38 HydrophobicContact CZ-CD2 4.29Å; Q36-F38 HydrophobicContact CB-CD2 3.65Å; Q36-F38 HydrophobicContact CB-CE2 3.6Å; Q36-F38 HydrophobicContact CG-CE2 4.4Å; Q36-F38 PolarHBondContact O-N 3.3Å; Q36-F38 VanDerWaalsContact O-N 3.07Å; F38-F40 HydrophobicContact CB-CD2 4.14Å; F38-F40 HydrophobicContact CB-CE2 3.57Å; F38-F40 HydrophobicContact CB-CZ 4.3Å; F38-F40 AromaticContact CD1-CE2 3.84Å; F38-F40 HydrophobicContact CD1-CE2 3.84Å; F38-F40 AromaticContact CD1-CZ 3.68Å; F38-F40 HydrophobicContact CD1-CZ 3.68Å; F38-F40 HydrophobicContact CE1-CZ 4.47Å; F38-F40 HydrophobicContact CG-CE2 4.04Å; F38-F40 HydrophobicContact CG-CZ 4.33Å; F38-L57 HydrophobicContact CD1-CD1 3.72Å; F38-L57 HydrophobicContact CE1-CD1 4.28Å; F38-T58 WeakPolarHBondContact CA-O 2.96Å; F38-W59 HydrophobicContact CD1-CB 4.1Å; F38-W59 HydrophobicContact CD1-CG 4.16Å; F38-W59 AromaticContact CD2-CD1 3.89Å; F38-W59 HydrophobicContact CE1-CB 3.9Å; F38-W59 AromaticContact CE1-CD1 3.57Å; F38-W59 HydrophobicContact CE1-CD2 4.05Å; F38-W59 AromaticContact CE1-CG 3.58Å; F38-W59 HydrophobicContact CE1-CG 3.58Å; F38-W59 AromaticContact CE2-CD1 3.43Å; F38-W59 VanDerWaalsContact CE2-CD1 3.43Å; F38-W59 HydrophobicContact CE2-CG 4.27Å; F38-W59 AromaticContact CE2-NE1 3.49Å; F38-W59 HydrophobicContact CZ-CB 4.45Å; F38-W59 AromaticContact CZ-CD1 3.23Å; F38-W59 AromaticContact CZ-CD2 3.92Å; F38-W59 HydrophobicContact CZ-CD2 3.92Å; F38-W59 AromaticContact CZ-CE2 3.7Å; F38-W59 AromaticContact CZ-CG 3.66Å; F38-W59 HydrophobicContact CZ-CG 3.66Å; F38-W59 HydrophobicContact CZ-CZ2 4.46Å; F38-W59 AromaticContact CZ-NE1 3.27Å; F38-W59 VanDerWaalsContact CZ-NE1 3.27Å; F38-V142 HydrophobicContact CE1-CG1 4.2Å; F38-V142 HydrophobicContact CE2-CG1 4.14Å; F38-V142 HydrophobicContact CZ-CB 4.27Å; F38-V142 HydrophobicContact CZ-CG1 3.52Å; F38-V142 HydrophobicContact CZ-CG2 3.78Å; F38-L144 HydrophobicContact CD1-CD1 4.07Å; F38-L144 HydrophobicContact CD2-CD2 4.46Å; F38-L144 HydrophobicContact CE1-CD1 4.11Å; F38-L144 HydrophobicContact CG-CD1 4.42Å; F38-L144 HydrophobicContact CG-CD2 4.5Å; F38-L144 HydrophobicContact CZ-CD1 4.45Å |
| 39 | I | 88 | Confident | 82.3 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 45% | 0.451 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.9 | 171.5 | -55 | 174.2 | 0 | 0 | 0 | 106.3 | L57 T58 | I39-L57 WeakPolarHBondContact O-CA 3.26Å; I39-T58 PolarHBondContact N-O 2.86Å; I39-T58 PolarHBondContact O-N 3.1Å |
| 40 | F | 88.6 | Confident | 81.3 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.9 | -178.9 | -69.3 | -85.8 | 0 | 0 | 0 | 107.8 | L18 Y28 F38 V55 A56 L57 L144 F146 | L18-F40 HydrophobicContact CD2-CB 3.3Å; L18-F40 HydrophobicContact CD2-CD2 4.19Å; L18-F40 HydrophobicContact CD2-CG 4.07Å; Y28-F40 HydrophobicContact CE1-CD2 4.14Å; Y28-F40 HydrophobicContact CE2-CD2 4.39Å; Y28-F40 HydrophobicContact CE2-CE2 4.28Å; F38-F40 HydrophobicContact CB-CD2 4.14Å; F38-F40 HydrophobicContact CB-CE2 3.57Å; F38-F40 HydrophobicContact CB-CZ 4.3Å; F38-F40 AromaticContact CD1-CE2 3.84Å; F38-F40 HydrophobicContact CD1-CE2 3.84Å; F38-F40 AromaticContact CD1-CZ 3.68Å; F38-F40 HydrophobicContact CD1-CZ 3.68Å; F38-F40 HydrophobicContact CE1-CZ 4.47Å; F38-F40 HydrophobicContact CG-CE2 4.04Å; F38-F40 HydrophobicContact CG-CZ 4.33Å; F40-V55 HydrophobicContact CD1-CG1 4.47Å; F40-A56 CarbonylContact C-O 3.52Å; F40-A56 WeakPolarHBondContact CA-O 2.93Å; F40-L57 HydrophobicContact CD1-CB 4.44Å; F40-L57 HydrophobicContact CD1-CD1 3.93Å; F40-L57 HydrophobicContact CE1-CD1 3.57Å; F40-L57 HydrophobicContact CE1-CD2 4.36Å; F40-L57 HydrophobicContact CE1-CG 4.35Å; F40-L57 HydrophobicContact CE2-CD1 4.45Å; F40-L57 HydrophobicContact CG-CD1 4.49Å; F40-L57 HydrophobicContact CZ-CD1 3.82Å; F40-L144 HydrophobicContact CE2-CD1 3.91Å; F40-L144 HydrophobicContact CZ-CD1 3.53Å; F40-F146 HydrophobicContact CD2-CZ 4.45Å; F40-F146 AromaticContact CE1-CZ 3.96Å; F40-F146 HydrophobicContact CE1-CZ 3.96Å; F40-F146 HydrophobicContact CE2-CE1 4.4Å; F40-F146 AromaticContact CE2-CZ 3.89Å; F40-F146 HydrophobicContact CE2-CZ 3.89Å; F40-F146 HydrophobicContact CZ-CE1 4.44Å; F40-F146 AromaticContact CZ-CZ 3.66Å; F40-F146 HydrophobicContact CZ-CZ 3.66Å |
| 41 | N | 89.4 | Confident | 80.3 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.7 | 168.3 | -62.7 | -40.1 | 0 | 0 | 0 | 108.1 | V55 A56 | N41-V55 WeakPolarHBondContact O-CA 3.47Å; N41-A56 HydrophobicContact CB-CB 4.29Å; N41-A56 PolarHBondContact N-O 2.86Å; N41-A56 PolarHBondContact O-N 2.88Å |
| 42 | I | 88.1 | Confident | 80.2 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.2 | 179.4 | -56.1 | 177.5 | 0 | 0 | 0 | 107.9 | L18 I26 W53 N54 V55 | L18-I42 HydrophobicContact CD1-CD1 4.48Å; I26-I42 HydrophobicContact CD1-CD1 4.03Å; I42-W53 HydrophobicContact CG2-CB 4.26Å; I42-W53 HydrophobicContact CG2-CG 4.43Å; I42-N54 WeakPolarHBondContact CA-O 3.38Å; I42-V55 HydrophobicContact CG1-CG2 4.2Å |
| 43 | T | 89 | Confident | 80.6 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 130.7 | 179.5 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | N54 | T43-N54 PolarHBondContact N-O 3.06Å; T43-N54 PolarHBondContact O-N 2.89Å |
| 44 | P | 88.3 | Confident | 81.5 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | S | Bend | cis | -77.6 | 155.6 | -10.3 | 35.2 | -35.2 | 0 | 0 | 0 | 111.9 | T46 K50 | P44-T46 VanDerWaalsContact C-N 3.31Å; P44-T46 HydrophobicContact CB-CG2 4.04Å; P44-T46 HydrophobicContact CG-CG2 4.08Å; P44-T46 PolarHBondContact O-N 3.13Å; P44-T46 VanDerWaalsContact O-N 3.14Å; P44-K50 HydrophobicContact CG-CB 3.97Å; P44-K50 HydrophobicContact CG-CD 4.13Å; P44-K50 HydrophobicContact CG-CG 3.78Å |
| 45 | C | 88.3 | Confident | 82.4 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | trans | -86.5 | 68.4 | 172.3 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | C19 T20 S21 | C19-C45 HydrophobicContact CB-CB 3.39Å; C19-C45 WeakPolarHBondContact CB-SG 3.36Å; C19-C45 WeakPolarHBondContact SG-CB 3.33Å; C19-C45 CovalentContact SG-SG 2.02Å; C19-C45 PolarHBondContact SG-SG 3.14Å; T20-C45 PolarHBondContact N-SG 2.78Å; S21-C45 WeakPolarHBondContact CB-O 3.39Å; S21-C45 PolarHBondContact OG-O 3.48Å | ||
| 46 | T | 86 | Confident | 83.4 | Confident | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.184 | 29% | 0.287 | C | S | . | . | trans | -159.9 | 142.3 | 177.3 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | D23 P44 V48 K50 W53 | D23-T46 VanDerWaalsContact CG-OG1 3.22Å; D23-T46 PolarHBondContact OD1-OG1 3.47Å; D23-T46 WeakPolarHBondContact OD2-CA 3.06Å; D23-T46 PolarHBondContact OD2-OG1 2.87Å; P44-T46 VanDerWaalsContact C-N 3.31Å; P44-T46 HydrophobicContact CB-CG2 4.04Å; P44-T46 HydrophobicContact CG-CG2 4.08Å; P44-T46 PolarHBondContact O-N 3.13Å; P44-T46 VanDerWaalsContact O-N 3.14Å; T46-V48 PolarHBondContact OG1-N 3.17Å; T46-K50 HydrophobicContact CG2-CB 4.17Å; T46-K50 HydrophobicContact CG2-CG 3.8Å; T46-W53 PolarHBondContact O-NE1 3.41Å | ||
| 47 | M | 77.8 | Confident | 84.2 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | trans | -86.7 | -24.8 | 171.5 | -73.5 | -59.8 | -73.5 | 0 | 0 | 112.5 | D23 L24 W53 F120 | D23-M47 PolarHBondContact OD2-N 2.8Å; L24-M47 HydrophobicContact CD1-CG 4.02Å; L24-M47 HydrophobicContact CD2-CG 4.37Å; M47-W53 HydrophobicContact CG-CH2 4.23Å; M47-W53 HydrophobicContact CG-CZ2 3.77Å; M47-W53 HydrophobicContact SD-CH2 3.24Å; M47-W53 WeakPolarHBondContact SD-CH2 3.18Å; M47-W53 HydrophobicContact SD-CZ2 2.93Å; M47-W53 WeakPolarHBondContact SD-CZ2 3.46Å; M47-W53 HydrophobicContact SD-CZ3 4.33Å; M47-F120 HydrophobicContact CE-CB 3.65Å; M47-F120 HydrophobicContact CE-CD2 3.15Å; M47-F120 HydrophobicContact CE-CE2 3.92Å; M47-F120 HydrophobicContact CE-CG 3.59Å | ||
| 48 | V | 75.4 | Confident | 84.6 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 127.7 | -173.1 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | D23 T46 K50 | D23-V48 HydrophobicContact CB-CG2 3.96Å; D23-V48 PolarHBondContact OD2-N 2.7Å; T46-V48 PolarHBondContact OG1-N 3.17Å; V48-K50 PolarHBondContact O-N 2.81Å |
| 49 | N | 69.3 | Low | 84.8 | Confident | 138 Ų | 138 | 52 Ų | 52 | 74% | 0.738 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 17.9 | 174.2 | -66.7 | -35.6 | 0 | 0 | 0 | 115.6 | ||
| 50 | K | 70.6 | Confident | 85 | Confident | 116 Ų | 116 | 50.4 Ų | 50.4 | 50% | 0.504 | 28% | 0.278 | S | S | . | . | trans | -131.6 | 97.3 | -178.7 | -68.6 | -64.9 | -176.2 | -175.4 | 0 | 110.5 | P44 T46 V48 I52 | P44-K50 HydrophobicContact CG-CB 3.97Å; P44-K50 HydrophobicContact CG-CD 4.13Å; P44-K50 HydrophobicContact CG-CG 3.78Å; T46-K50 HydrophobicContact CG2-CB 4.17Å; T46-K50 HydrophobicContact CG2-CG 3.8Å; V48-K50 PolarHBondContact O-N 2.81Å; K50-I52 VanDerWaalsContact C-N 3.25Å; K50-I52 PolarHBondContact O-N 2.82Å | ||
| 51 | P | 68.4 | Low | 85.1 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | trans | -78.5 | -7.6 | -174.3 | 28.6 | -32.6 | 0 | 0 | 0 | 114.3 | G115 A116 | P51-G115 PolarHBondContact O-N 2.87Å; P51-A116 HydrophobicContact CB-CB 3.89Å; P51-A116 PolarHBondContact O-N 2.81Å | ||
| 52 | I | 81.7 | Confident | 85 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 124.2 | -172.8 | -52.6 | 179.6 | 0 | 0 | 0 | 108.9 | K50 D112 I113 K114 | K50-I52 VanDerWaalsContact C-N 3.25Å; K50-I52 PolarHBondContact O-N 2.82Å; I52-D112 HydrophobicContact CG2-CB 3.72Å; I52-I113 WeakPolarHBondContact CA-O 3.25Å; I52-K114 HydrophobicContact CG1-CG 4.23Å; I52-K114 HydrophobicContact CG2-CG 4.47Å |
| 53 | W | 86.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 9% | 0.087 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.2 | 167.5 | -64.3 | -21.9 | 0 | 0 | 0 | 109.8 | L24 I26 I42 T46 M47 D112 I113 M148 | L24-W53 HydrophobicContact CD1-CH2 4.21Å; L24-W53 HydrophobicContact CD1-CZ2 4.45Å; L24-W53 HydrophobicContact CD2-CH2 3.68Å; L24-W53 HydrophobicContact CD2-CZ2 3.3Å; L24-W53 HydrophobicContact CG-CZ2 4.48Å; I26-W53 HydrophobicContact CD1-CH2 4.25Å; I26-W53 HydrophobicContact CD1-CZ3 4.32Å; I42-W53 HydrophobicContact CG2-CB 4.26Å; I42-W53 HydrophobicContact CG2-CG 4.43Å; T46-W53 PolarHBondContact O-NE1 3.41Å; M47-W53 HydrophobicContact CG-CH2 4.23Å; M47-W53 HydrophobicContact CG-CZ2 3.77Å; M47-W53 HydrophobicContact SD-CH2 3.24Å; M47-W53 WeakPolarHBondContact SD-CH2 3.18Å; M47-W53 HydrophobicContact SD-CZ2 2.93Å; M47-W53 WeakPolarHBondContact SD-CZ2 3.46Å; M47-W53 HydrophobicContact SD-CZ3 4.33Å; W53-D112 CarbonylContact O-C 3.49Å; W53-D112 WeakPolarHBondContact O-CA 3.32Å; W53-I113 HydrophobicContact CB-CB 4.34Å; W53-I113 PolarHBondContact N-O 3.43Å; W53-I113 PolarHBondContact O-N 3.45Å; W53-M148 HydrophobicContact CH2-SD 3.94Å; W53-M148 HydrophobicContact CZ3-SD 4.23Å |
| 54 | N | 89.1 | Confident | 85.3 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.3 | 168.6 | -173.2 | -100.7 | 0 | 0 | 0 | 109 | I42 T43 D112 | I42-N54 WeakPolarHBondContact CA-O 3.38Å; T43-N54 PolarHBondContact N-O 3.06Å; T43-N54 PolarHBondContact O-N 2.89Å; N54-D112 PolarHBondContact ND2-OD1 2.91Å |
| 55 | V | 90 | Very high | 85.5 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.5 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | F40 N41 I42 T110 F111 I113 | F40-V55 HydrophobicContact CD1-CG1 4.47Å; N41-V55 WeakPolarHBondContact O-CA 3.47Å; I42-V55 HydrophobicContact CG1-CG2 4.2Å; V55-T110 CarbonylContact O-C 3.57Å; V55-T110 VanDerWaalsContact O-CA 3.28Å; V55-T110 WeakPolarHBondContact O-CA 3.48Å; V55-F111 HydrophobicContact CB-CD2 4.23Å; V55-F111 HydrophobicContact CB-CE1 4.32Å; V55-F111 HydrophobicContact CB-CE2 3.83Å; V55-F111 HydrophobicContact CB-CZ 3.88Å; V55-F111 HydrophobicContact CG1-CE1 4.1Å; V55-F111 HydrophobicContact CG1-CE2 4.12Å; V55-F111 HydrophobicContact CG1-CZ 3.68Å; V55-F111 HydrophobicContact CG2-CE2 4.23Å; V55-F111 PolarHBondContact N-O 2.84Å; V55-F111 PolarHBondContact O-N 2.89Å; V55-I113 HydrophobicContact CG2-CD1 3.5Å; V55-I113 VanDerWaalsContact CG2-CD1 3.5Å; V55-I113 HydrophobicContact CG2-CG1 3.88Å |
| 56 | A | 92.1 | Very high | 85.8 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F40 N41 T109 T110 | F40-A56 CarbonylContact C-O 3.52Å; F40-A56 WeakPolarHBondContact CA-O 2.93Å; N41-A56 HydrophobicContact CB-CB 4.29Å; N41-A56 PolarHBondContact N-O 2.86Å; N41-A56 PolarHBondContact O-N 2.88Å; A56-T109 WeakPolarHBondContact CA-O 2.99Å; A56-T110 HydrophobicContact CB-CG2 3.94Å |
| 57 | L | 91.6 | Very high | 86.3 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126 | 178.8 | 164.3 | 59.8 | 0 | 0 | 0 | 109 | F38 I39 F40 W59 A108 T109 F111 | F38-L57 HydrophobicContact CD1-CD1 3.72Å; F38-L57 HydrophobicContact CE1-CD1 4.28Å; I39-L57 WeakPolarHBondContact O-CA 3.26Å; F40-L57 HydrophobicContact CD1-CB 4.44Å; F40-L57 HydrophobicContact CD1-CD1 3.93Å; F40-L57 HydrophobicContact CE1-CD1 3.57Å; F40-L57 HydrophobicContact CE1-CD2 4.36Å; F40-L57 HydrophobicContact CE1-CG 4.35Å; F40-L57 HydrophobicContact CE2-CD1 4.45Å; F40-L57 HydrophobicContact CG-CD1 4.49Å; F40-L57 HydrophobicContact CZ-CD1 3.82Å; L57-W59 HydrophobicContact CD1-CB 4.26Å; L57-A108 WeakPolarHBondContact O-CA 2.96Å; L57-T109 HydrophobicContact CB-CG2 3.9Å; L57-T109 HydrophobicContact CD2-CG2 4.08Å; L57-T109 HydrophobicContact CG-CG2 4.15Å; L57-T109 PolarHBondContact N-O 2.9Å; L57-T109 PolarHBondContact O-N 2.96Å; L57-F111 HydrophobicContact CB-CE1 4.2Å; L57-F111 HydrophobicContact CD2-CE1 4.46Å |
| 58 | T | 92.2 | Very high | 87.1 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.6 | 164.5 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | F38 I39 T106 V107 | F38-T58 WeakPolarHBondContact CA-O 2.96Å; I39-T58 PolarHBondContact N-O 2.86Å; I39-T58 PolarHBondContact O-N 3.1Å; T58-T106 HydrophobicContact CG2-CG2 3.65Å; T58-V107 CarbonylContact C-O 3.51Å; T58-V107 VanDerWaalsContact CA-O 3.28Å; T58-V107 WeakPolarHBondContact CA-O 3.29Å |
| 59 | W | 91.2 | Very high | 88.1 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.4 | -179.3 | 171.8 | 44.5 | 0 | 0 | 0 | 111.1 | T37 F38 L57 P61 I65 V98 V107 V142 | T37-W59 WeakPolarHBondContact O-CA 3.39Å; F38-W59 HydrophobicContact CD1-CB 4.1Å; F38-W59 HydrophobicContact CD1-CG 4.16Å; F38-W59 AromaticContact CD2-CD1 3.89Å; F38-W59 HydrophobicContact CE1-CB 3.9Å; F38-W59 AromaticContact CE1-CD1 3.57Å; F38-W59 HydrophobicContact CE1-CD2 4.05Å; F38-W59 AromaticContact CE1-CG 3.58Å; F38-W59 HydrophobicContact CE1-CG 3.58Å; F38-W59 AromaticContact CE2-CD1 3.43Å; F38-W59 VanDerWaalsContact CE2-CD1 3.43Å; F38-W59 HydrophobicContact CE2-CG 4.27Å; F38-W59 AromaticContact CE2-NE1 3.49Å; F38-W59 HydrophobicContact CZ-CB 4.45Å; F38-W59 AromaticContact CZ-CD1 3.23Å; F38-W59 AromaticContact CZ-CD2 3.92Å; F38-W59 HydrophobicContact CZ-CD2 3.92Å; F38-W59 AromaticContact CZ-CE2 3.7Å; F38-W59 AromaticContact CZ-CG 3.66Å; F38-W59 HydrophobicContact CZ-CG 3.66Å; F38-W59 HydrophobicContact CZ-CZ2 4.46Å; F38-W59 AromaticContact CZ-NE1 3.27Å; F38-W59 VanDerWaalsContact CZ-NE1 3.27Å; L57-W59 HydrophobicContact CD1-CB 4.26Å; W59-P61 HydrophobicContact CD2-CB 4.35Å; W59-P61 HydrophobicContact CH2-CB 3.88Å; W59-P61 HydrophobicContact CZ2-CB 3.53Å; W59-P61 HydrophobicContact CZ3-CB 4.42Å; W59-I65 HydrophobicContact CE3-CD1 4.25Å; W59-I65 HydrophobicContact CH2-CD1 3.32Å; W59-I65 HydrophobicContact CH2-CG1 4.18Å; W59-I65 HydrophobicContact CZ2-CD1 4.34Å; W59-I65 HydrophobicContact CZ3-CD1 3.27Å; W59-V98 HydrophobicContact CZ3-CG2 4.03Å; W59-V107 PolarHBondContact N-O 2.81Å; W59-V107 PolarHBondContact O-N 2.88Å; W59-V142 HydrophobicContact CH2-CG2 3.96Å; W59-V142 HydrophobicContact CZ2-CG2 3.58Å |
| 60 | I | 91.3 | Very high | 89.3 | Confident | 54 Ų | 54 | 47 Ų | 47 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 104.5 | 169.4 | -58.4 | 178.3 | 0 | 0 | 0 | 107.9 | T37 E105 | T37-I60 HydrophobicContact CG2-CD1 4.09Å; T37-I60 HydrophobicContact CG2-CG1 4.31Å; T37-I60 PolarHBondContact O-N 2.94Å; I60-E105 WeakPolarHBondContact CA-O 3.5Å; I60-E105 WeakPolarHBondContact CG2-O 3.32Å |
| 61 | P | 90.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | trans | -68.1 | 144.9 | -179.9 | 29 | -32.9 | 0 | 0 | 0 | 111.1 | W59 I65 T101 G104 E105 | W59-P61 HydrophobicContact CD2-CB 4.35Å; W59-P61 HydrophobicContact CH2-CB 3.88Å; W59-P61 HydrophobicContact CZ2-CB 3.53Å; W59-P61 HydrophobicContact CZ3-CB 4.42Å; P61-I65 HydrophobicContact CB-CD1 3.82Å; P61-I65 HydrophobicContact CB-CG1 4.02Å; P61-I65 HydrophobicContact CG-CD1 3.99Å; P61-I65 HydrophobicContact CG-CG1 4.33Å; P61-T101 HydrophobicContact CG-CG2 3.72Å; P61-G104 PolarHBondContact O-N 3.16Å; P61-E105 VanDerWaalsContact CD-O 3.23Å; P61-E105 WeakPolarHBondContact CD-O 3.38Å | ||
| 62 | R | 88.6 | Confident | 91.7 | Very high | 115 Ų | 115 | 40.6 Ų | 40.6 | 43% | 0.434 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -93.5 | -6.7 | -179.5 | -68.7 | 178.4 | 168.3 | -122.9 | 1.6 | 113.5 | V35 K103 | V35-R62 PolarHBondContact O-NH2 2.76Å; R62-K103 WeakPolarHBondContact O-CD 3.4Å; R62-K103 WeakPolarHBondContact O-CE 2.87Å; R62-K103 VanDerWaalsContact O-CG 3.29Å; R62-K103 WeakPolarHBondContact O-CG 3.45Å |
| 63 | N | 90.1 | Very high | 92.3 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -141.3 | 160 | 177 | -60.4 | -58.5 | 0 | 0 | 0 | 108.5 | L141 | N63-L141 HydrophobicContact CB-CD2 3.78Å; N63-L141 VanDerWaalsContact ND2-CD2 3.28Å; N63-L141 WeakPolarHBondContact ND2-CD2 3.39Å |
| 64 | D | 92.5 | Very high | 92.6 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | trans | -65.5 | 139.3 | 173.4 | -52.7 | -22.8 | 0 | 0 | 0 | 109.8 | T66 T101 K103 | D64-T66 PolarHBondContact O-N 2.79Å; D64-T101 CarbonylContact C-O 3.6Å; D64-T101 WeakPolarHBondContact CA-O 3.02Å; D64-K103 WeakPolarHBondContact OD1-CB 3.28Å; D64-K103 PolarHBondContact OD1-N 2.99Å | ||
| 65 | I | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -100.2 | 67.2 | -175.9 | -47.8 | -179.3 | 0 | 0 | 0 | 109.5 | W59 P61 L68 V98 G100 T101 | W59-I65 HydrophobicContact CE3-CD1 4.25Å; W59-I65 HydrophobicContact CH2-CD1 3.32Å; W59-I65 HydrophobicContact CH2-CG1 4.18Å; W59-I65 HydrophobicContact CZ2-CD1 4.34Å; W59-I65 HydrophobicContact CZ3-CD1 3.27Å; P61-I65 HydrophobicContact CB-CD1 3.82Å; P61-I65 HydrophobicContact CB-CG1 4.02Å; P61-I65 HydrophobicContact CG-CD1 3.99Å; P61-I65 HydrophobicContact CG-CG1 4.33Å; I65-L68 HydrophobicContact CG2-CB 3.84Å; I65-L68 HydrophobicContact CG2-CD2 4.13Å; I65-L68 HydrophobicContact CG2-CG 4.47Å; I65-V98 HydrophobicContact CD1-CG2 3.68Å; I65-G100 PolarHBondContact O-N 2.86Å; I65-T101 HydrophobicContact CD1-CG2 4.47Å; I65-T101 PolarHBondContact N-O 2.97Å | ||
| 66 | T | 93.9 | Very high | 93 | Very high | 80 Ų | 80 | 43.1 Ų | 43.1 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -82.7 | -28.1 | 173.1 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | D64 G91 | D64-T66 PolarHBondContact O-N 2.79Å; T66-G91 CarbonylContact O-C 3.56Å; T66-G91 WeakPolarHBondContact O-CA 3.41Å; T66-G91 PolarHBondContact O-N 2.88Å; T66-G91 VanDerWaalsContact O-N 3.16Å |
| 67 | F | 95.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 20% | 0.202 | 23% | 0.231 | C | C | . | . | trans | -135.8 | 137.6 | 173.6 | -172.8 | -79.3 | 0 | 0 | 0 | 109.1 | K69 V87 C89 A133 D134 D135 | F67-K69 HydrophobicContact CE1-CB 3.8Å; F67-V87 HydrophobicContact CE2-CG1 4Å; F67-V87 HydrophobicContact CZ-CG1 3.86Å; F67-V87 HydrophobicContact CZ-CG2 4.27Å; F67-C89 VanDerWaalsContact CA-O 3.29Å; F67-C89 WeakPolarHBondContact CA-O 3.38Å; F67-C89 WeakPolarHBondContact CD2-O 3.48Å; F67-C89 WeakPolarHBondContact CG-O 3.48Å; F67-A133 WeakPolarHBondContact CB-O 3.47Å; F67-A133 VanDerWaalsContact CD1-C 3.44Å; F67-A133 WeakPolarHBondContact O-CA 3.16Å; F67-D134 VanDerWaalsContact CD1-CA 3.46Å; F67-D135 HydrophobicContact CE1-CB 4.42Å; F67-D135 HydrophobicContact CZ-CB 3.9Å | ||
| 68 | L | 95.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 110.3 | 179.2 | -177.5 | 61.5 | 0 | 0 | 0 | 110.2 | I65 V70 L88 C89 V98 F132 L141 | I65-L68 HydrophobicContact CG2-CB 3.84Å; I65-L68 HydrophobicContact CG2-CD2 4.13Å; I65-L68 HydrophobicContact CG2-CG 4.47Å; L68-V70 HydrophobicContact CD1-CG2 4.41Å; L68-V70 HydrophobicContact CD2-CG2 4.38Å; L68-V70 HydrophobicContact CG-CG2 4.1Å; L68-L88 HydrophobicContact CD2-CB 4.48Å; L68-L88 HydrophobicContact CD2-CD1 4.25Å; L68-L88 PolarHBondContact O-N 2.77Å; L68-C89 HydrophobicContact CB-CB 3.92Å; L68-C89 PolarHBondContact N-O 2.03Å; L68-C89 PolarHBondContact O-N 3.24Å; L68-C89 VanDerWaalsContact O-N 3.16Å; L68-V98 HydrophobicContact CD2-CG1 4.38Å; L68-F132 CarbonylContact C-O 3.55Å; L68-F132 VanDerWaalsContact CA-O 3.32Å; L68-F132 WeakPolarHBondContact CA-O 3.2Å; L68-L141 HydrophobicContact CD1-CD1 4.09Å |
| 69 | K | 96.1 | Very high | 92.6 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 10% | 0.1 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.2 | 168 | 179.1 | 173.8 | -176.6 | 173.2 | 0 | 109.8 | F67 E86 V87 G131 F132 D135 E137 | F67-K69 HydrophobicContact CE1-CB 3.8Å; K69-E86 CarbonylContact C-O 3.55Å; K69-E86 WeakPolarHBondContact CA-O 3.48Å; K69-V87 HydrophobicContact CB-CG2 4.32Å; K69-V87 HydrophobicContact CD-CG2 4.3Å; K69-V87 HydrophobicContact CG-CG2 4.2Å; K69-G131 CarbonylContact O-C 3.59Å; K69-G131 WeakPolarHBondContact O-CA 3.47Å; K69-F132 HydrophobicContact CB-CB 4.49Å; K69-F132 PolarHBondContact N-O 2.72Å; K69-F132 PolarHBondContact O-N 2.86Å; K69-D135 WeakPolarHBondContact CD-OD1 3.49Å; K69-D135 WeakPolarHBondContact CE-OD1 3.25Å; K69-D135 PolarHBondContact NZ-O 2.83Å; K69-D135 IonicContact NZ-OD1 3.34Å; K69-D135 PolarHBondContact NZ-OD1 3.12Å; K69-E137 HydrophobicContact CD-CG 4.23Å; K69-E137 VanDerWaalsContact CE-OE1 3.23Å; K69-E137 WeakPolarHBondContact CE-OE1 3.09Å; K69-E137 IonicContact NZ-OE1 2.69Å; K69-E137 PolarHBondContact NZ-OE1 2.94Å |
| 70 | V | 94.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.1 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | L68 W84 K85 E86 L88 I129 H130 | L68-V70 HydrophobicContact CD1-CG2 4.41Å; L68-V70 HydrophobicContact CD2-CG2 4.38Å; L68-V70 HydrophobicContact CG-CG2 4.1Å; V70-W84 HydrophobicContact CG1-CZ3 4.44Å; V70-K85 WeakPolarHBondContact O-CA 3.33Å; V70-E86 PolarHBondContact N-O 2.86Å; V70-E86 PolarHBondContact O-N 2.82Å; V70-L88 HydrophobicContact CB-CD1 4.35Å; V70-L88 HydrophobicContact CG2-CD1 3.5Å; V70-L88 HydrophobicContact CG2-CG 4.05Å; V70-I129 HydrophobicContact CG1-CG2 4.09Å; V70-H130 CarbonylContact C-O 3.53Å; V70-H130 WeakPolarHBondContact CA-O 3.42Å |
| 71 | V | 95.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.8 | 173 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | K73 W84 K85 I129 H130 F132 | V71-K73 HydrophobicContact CG1-CD 4.46Å; V71-K73 HydrophobicContact CG1-CG 4.2Å; V71-W84 WeakPolarHBondContact CA-O 3.15Å; V71-K85 HydrophobicContact CB-CG 4.38Å; V71-K85 HydrophobicContact CG1-CD 4.49Å; V71-K85 HydrophobicContact CG1-CG 4.08Å; V71-K85 HydrophobicContact CG2-CB 4.45Å; V71-K85 HydrophobicContact CG2-CD 4.02Å; V71-K85 HydrophobicContact CG2-CG 3.91Å; V71-I129 WeakPolarHBondContact O-CA 3.35Å; V71-H130 HydrophobicContact CB-CB 4.37Å; V71-H130 PolarHBondContact N-O 2.02Å; V71-H130 PolarHBondContact O-N 3.5Å; V71-F132 HydrophobicContact CB-CE2 4.24Å; V71-F132 HydrophobicContact CG2-CD2 4.16Å; V71-F132 HydrophobicContact CG2-CE2 3.75Å |
| 72 | F | 93.3 | Very high | 92.7 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 25% | 0.25 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.7 | -178.2 | -171.8 | -98.4 | 0 | 0 | 0 | 109.7 | V74 L82 D83 W84 I127 I128 I129 | F72-V74 HydrophobicContact CD1-CG2 3.9Å; F72-V74 HydrophobicContact CE1-CG2 3.27Å; F72-V74 HydrophobicContact CZ-CG2 3.97Å; F72-L82 HydrophobicContact CD1-CD2 3.99Å; F72-L82 HydrophobicContact CE1-CD2 4.11Å; F72-D83 WeakPolarHBondContact O-CA 3.45Å; F72-W84 HydrophobicContact CB-CE3 3.76Å; F72-W84 HydrophobicContact CB-CZ3 4.42Å; F72-W84 PolarHBondContact N-O 3.16Å; F72-W84 PolarHBondContact O-N 2.74Å; F72-I127 HydrophobicContact CD2-CG2 4.1Å; F72-I127 HydrophobicContact CE1-CG2 4.18Å; F72-I127 HydrophobicContact CE2-CG2 3.24Å; F72-I127 HydrophobicContact CZ-CG2 3.29Å; F72-I128 WeakPolarHBondContact CA-O 3.49Å; F72-I129 HydrophobicContact CD2-CD1 3.98Å; F72-I129 HydrophobicContact CD2-CG1 3.75Å; F72-I129 HydrophobicContact CE2-CD1 3.87Å; F72-I129 HydrophobicContact CE2-CG1 3.94Å |
| 73 | K | 94.8 | Very high | 92.9 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 30% | 0.3 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.7 | 179.5 | -63.3 | 177 | -177.8 | 175.7 | 0 | 110 | V71 L82 D83 I127 I128 | V71-K73 HydrophobicContact CG1-CD 4.46Å; V71-K73 HydrophobicContact CG1-CG 4.2Å; K73-L82 CarbonylContact C-O 3.45Å; K73-L82 WeakPolarHBondContact CA-O 3.44Å; K73-D83 HydrophobicContact CG-CB 4.38Å; K73-I127 CarbonylContact O-C 3.6Å; K73-I127 VanDerWaalsContact O-CA 3.31Å; K73-I127 WeakPolarHBondContact O-CA 3.49Å; K73-I128 HydrophobicContact CB-CB 4.31Å; K73-I128 PolarHBondContact N-O 3.48Å; K73-I128 PolarHBondContact O-N 2.82Å |
| 74 | V | 92.9 | Very high | 93.1 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.3 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | F72 A81 L82 Y125 T126 I127 | F72-V74 HydrophobicContact CD1-CG2 3.9Å; F72-V74 HydrophobicContact CE1-CG2 3.27Å; F72-V74 HydrophobicContact CZ-CG2 3.97Å; V74-A81 HydrophobicContact CB-CB 4.46Å; V74-A81 HydrophobicContact CG1-CB 4.33Å; V74-A81 PolarHBondContact O-N 2.8Å; V74-L82 HydrophobicContact CB-CB 3.89Å; V74-L82 HydrophobicContact CG2-CB 3.95Å; V74-L82 HydrophobicContact CG2-CD2 4.19Å; V74-L82 PolarHBondContact N-O 2.67Å; V74-L82 PolarHBondContact O-N 2.8Å; V74-L82 VanDerWaalsContact O-N 3.1Å; V74-Y125 HydrophobicContact CG1-CD1 4.18Å; V74-T126 CarbonylContact C-O 3.2Å; V74-T126 WeakPolarHBondContact CA-O 3.46Å; V74-I127 HydrophobicContact CG1-CG1 4.21Å; V74-I127 HydrophobicContact CG2-CG1 4.28Å |
| 75 | L | 94.1 | Very high | 93.2 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.9 | 169.8 | -58.7 | 84.3 | 0 | 0 | 0 | 108.1 | A79 Y125 T126 I128 | L75-A79 CarbonylContact C-O 3.55Å; L75-A79 WeakPolarHBondContact CA-O 3.31Å; L75-Y125 CarbonylContact O-C 3.59Å; L75-Y125 VanDerWaalsContact O-CA 3.26Å; L75-Y125 WeakPolarHBondContact O-CA 3.48Å; L75-T126 HydrophobicContact CD1-CG2 4.46Å; L75-T126 PolarHBondContact N-O 3.25Å; L75-T126 PolarHBondContact O-N 2.88Å; L75-I128 HydrophobicContact CD1-CD1 3.98Å; L75-I128 HydrophobicContact CD1-CG1 4.46Å |
| 76 | Y | 92.6 | Very high | 93.2 | Very high | 75 Ų | 75 | 62.3 Ų | 62.3 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.4 | 172.3 | 172.7 | -117.4 | 0 | 0 | 0 | 108.2 | G78 A79 P121 Q122 Y125 | Y76-G78 PolarHBondContact O-N 2.72Å; Y76-A79 PolarHBondContact N-O 2.8Å; Y76-A79 PolarHBondContact O-N 2.79Å; Y76-P121 HydrophobicContact CE2-CB 4.31Å; Y76-P121 WeakPolarHBondContact OH-CB 3.06Å; Y76-Q122 PolarHBondContact OH-O 2.89Å; Y76-Y125 AromaticContact CD2-CD1 3.96Å; Y76-Y125 HydrophobicContact CD2-CD1 3.96Å; Y76-Y125 HydrophobicContact CD2-CD2 4.36Å; Y76-Y125 AromaticContact CD2-CE1 3.45Å; Y76-Y125 HydrophobicContact CD2-CE1 3.45Å; Y76-Y125 VanDerWaalsContact CD2-CE1 3.45Å; Y76-Y125 AromaticContact CD2-CE2 3.88Å; Y76-Y125 HydrophobicContact CD2-CE2 3.88Å; Y76-Y125 HydrophobicContact CD2-CG 4.38Å; Y76-Y125 AromaticContact CD2-CZ 3.4Å; Y76-Y125 HydrophobicContact CE2-CE1 4.22Å; Y76-Y125 HydrophobicContact CE2-CE2 4.03Å; Y76-Y125 AromaticContact CE2-CZ 3.7Å; Y76-Y125 HydrophobicContact CG-CE1 4.05Å |
| 77 | D | 89.9 | Confident | 93.2 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 38.2 | -174.6 | -68.3 | -22.2 | 0 | 0 | 0 | 113.4 | A79 K124 | D77-A79 VanDerWaalsContact C-N 3.3Å; D77-A79 PolarHBondContact O-N 2.95Å; D77-K124 PolarHBondContact N-O 2.84Å; D77-K124 PolarHBondContact OD1-N 2.95Å |
| 78 | G | 87.9 | Confident | 93.1 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -10.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y76 | Y76-G78 PolarHBondContact O-N 2.72Š|
| 79 | A | 91.6 | Very high | 93.1 | Very high | 62 Ų | 62 | 60.3 Ų | 60.3 | 51% | 0.512 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 139.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L75 Y76 D77 A81 | L75-A79 CarbonylContact C-O 3.55Å; L75-A79 WeakPolarHBondContact CA-O 3.31Å; Y76-A79 PolarHBondContact N-O 2.8Å; Y76-A79 PolarHBondContact O-N 2.79Å; D77-A79 VanDerWaalsContact C-N 3.3Å; D77-A79 PolarHBondContact O-N 2.95Å; A79-A81 PolarHBondContact O-N 2.87Å |
| 80 | K | 92.8 | Very high | 93 | Very high | 147 Ų | 147 | 63.4 Ų | 63.4 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 115.4 | 178 | -173.6 | -175.2 | -173.7 | -178.5 | 0 | 110.2 | D83 | K80-D83 HydrophobicContact CD-CB 4.49Å; K80-D83 VanDerWaalsContact CE-OD2 3.25Å; K80-D83 WeakPolarHBondContact CE-OD2 3.33Å; K80-D83 IonicContact NZ-OD2 2.7Å; K80-D83 PolarHBondContact NZ-OD2 2.9Å |
| 81 | A | 90 | Very high | 92.9 | Very high | 65 Ų | 65 | 63.5 Ų | 63.5 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -37.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V74 A79 | V74-A81 HydrophobicContact CB-CB 4.46Å; V74-A81 HydrophobicContact CG1-CB 4.33Å; V74-A81 PolarHBondContact O-N 2.8Å; A79-A81 PolarHBondContact O-N 2.87Å |
| 82 | L | 90.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 45% | 0.445 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 145.3 | 179 | -174.9 | 66.3 | 0 | 0 | 0 | 110.7 | F72 K73 V74 W84 | F72-L82 HydrophobicContact CD1-CD2 3.99Å; F72-L82 HydrophobicContact CE1-CD2 4.11Å; K73-L82 CarbonylContact C-O 3.45Å; K73-L82 WeakPolarHBondContact CA-O 3.44Å; V74-L82 HydrophobicContact CB-CB 3.89Å; V74-L82 HydrophobicContact CG2-CB 3.95Å; V74-L82 HydrophobicContact CG2-CD2 4.19Å; V74-L82 PolarHBondContact N-O 2.67Å; V74-L82 PolarHBondContact O-N 2.8Å; V74-L82 VanDerWaalsContact O-N 3.1Å; L82-W84 HydrophobicContact CG-CB 4.38Å |
| 83 | D | 93.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 32% | 0.321 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 108.9 | 167.2 | -177.2 | 5.5 | 0 | 0 | 0 | 107.7 | F72 K73 K80 | F72-D83 WeakPolarHBondContact O-CA 3.45Å; K73-D83 HydrophobicContact CG-CB 4.38Å; K80-D83 HydrophobicContact CD-CB 4.49Å; K80-D83 VanDerWaalsContact CE-OD2 3.25Å; K80-D83 WeakPolarHBondContact CE-OD2 3.33Å; K80-D83 IonicContact NZ-OD2 2.7Å; K80-D83 PolarHBondContact NZ-OD2 2.9Å |
| 84 | W | 93.8 | Very high | 92.1 | Very high | 106 Ų | 106 | 70.8 Ų | 70.8 | 40% | 0.402 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.6 | -173.3 | 175.2 | 85.4 | 0 | 0 | 0 | 108.7 | V70 V71 F72 L82 E86 | V70-W84 HydrophobicContact CG1-CZ3 4.44Å; V71-W84 WeakPolarHBondContact CA-O 3.15Å; F72-W84 HydrophobicContact CB-CE3 3.76Å; F72-W84 HydrophobicContact CB-CZ3 4.42Å; F72-W84 PolarHBondContact N-O 3.16Å; F72-W84 PolarHBondContact O-N 2.74Å; L82-W84 HydrophobicContact CG-CB 4.38Å; W84-E86 HydrophobicContact CE3-CB 4.45Å; W84-E86 HydrophobicContact CH2-CB 3.34Å; W84-E86 HydrophobicContact CH2-CG 4.11Å; W84-E86 WeakPolarHBondContact CH2-OE2 3.25Å; W84-E86 HydrophobicContact CZ2-CB 3.35Å; W84-E86 HydrophobicContact CZ2-CG 3.97Å; W84-E86 WeakPolarHBondContact CZ2-OE2 3.4Å; W84-E86 HydrophobicContact CZ3-CB 3.9Å |
| 85 | K | 95 | Very high | 91.8 | Very high | 97 Ų | 97 | 78 Ų | 78 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 134 | -178.6 | -56.6 | -168.9 | 172.4 | -166.1 | 0 | 108.4 | V70 V71 E137 | V70-K85 WeakPolarHBondContact O-CA 3.33Å; V71-K85 HydrophobicContact CB-CG 4.38Å; V71-K85 HydrophobicContact CG1-CD 4.49Å; V71-K85 HydrophobicContact CG1-CG 4.08Å; V71-K85 HydrophobicContact CG2-CB 4.45Å; V71-K85 HydrophobicContact CG2-CD 4.02Å; V71-K85 HydrophobicContact CG2-CG 3.91Å; K85-E137 WeakPolarHBondContact CD-OE1 3.23Å; K85-E137 VanDerWaalsContact NZ-CD 3.27Å; K85-E137 IonicContact NZ-OE1 2.72Å; K85-E137 PolarHBondContact NZ-OE1 3.42Å; K85-E137 IonicContact NZ-OE2 2.95Å; K85-E137 PolarHBondContact NZ-OE2 2.81Å |
| 86 | E | 93.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 80.6 Ų | 80.6 | 34% | 0.341 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 143.5 | 177.2 | -174.7 | 166.2 | -119 | 0 | 0 | 110.4 | K69 V70 W84 L88 | K69-E86 CarbonylContact C-O 3.55Å; K69-E86 WeakPolarHBondContact CA-O 3.48Å; V70-E86 PolarHBondContact N-O 2.86Å; V70-E86 PolarHBondContact O-N 2.82Å; W84-E86 HydrophobicContact CE3-CB 4.45Å; W84-E86 HydrophobicContact CH2-CB 3.34Å; W84-E86 HydrophobicContact CH2-CG 4.11Å; W84-E86 WeakPolarHBondContact CH2-OE2 3.25Å; W84-E86 HydrophobicContact CZ2-CB 3.35Å; W84-E86 HydrophobicContact CZ2-CG 3.97Å; W84-E86 WeakPolarHBondContact CZ2-OE2 3.4Å; W84-E86 HydrophobicContact CZ3-CB 3.9Å; E86-L88 HydrophobicContact CG-CD2 4.02Å; E86-L88 WeakPolarHBondContact OE2-CD2 3.27Å |
| 87 | V | 94.9 | Very high | 91.2 | Very high | 61 Ų | 61 | 82 Ų | 82 | 37% | 0.37 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 111.3 | 169.3 | 179.6 | 0 | 0 | 0 | 0 | 106.6 | F67 K69 C89 | F67-V87 HydrophobicContact CE2-CG1 4Å; F67-V87 HydrophobicContact CZ-CG1 3.86Å; F67-V87 HydrophobicContact CZ-CG2 4.27Å; K69-V87 HydrophobicContact CB-CG2 4.32Å; K69-V87 HydrophobicContact CD-CG2 4.3Å; K69-V87 HydrophobicContact CG-CG2 4.2Å; V87-C89 WeakPolarHBondContact CG1-O 3.47Å |
| 88 | L | 93.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 78.6 Ų | 78.6 | 17% | 0.168 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -35.6 | 178.1 | -61.7 | -176.9 | 0 | 0 | 0 | 111.6 | L68 V70 E86 Y96 C99 | L68-L88 HydrophobicContact CD2-CB 4.48Å; L68-L88 HydrophobicContact CD2-CD1 4.25Å; L68-L88 PolarHBondContact O-N 2.77Å; V70-L88 HydrophobicContact CB-CD1 4.35Å; V70-L88 HydrophobicContact CG2-CD1 3.5Å; V70-L88 HydrophobicContact CG2-CG 4.05Å; E86-L88 HydrophobicContact CG-CD2 4.02Å; E86-L88 WeakPolarHBondContact OE2-CD2 3.27Å; L88-Y96 HydrophobicContact CB-CD2 4.22Å; L88-Y96 HydrophobicContact CB-CE2 4.4Å; L88-Y96 HydrophobicContact CD2-CD2 4.41Å; L88-Y96 HydrophobicContact CD2-CE2 3.87Å; L88-Y96 WeakPolarHBondContact O-CD2 3.4Å; L88-C99 PolarHBondContact O-SG 2.91Å |
| 89 | C | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.3 | 177.1 | -53 | 0 | 0 | 0 | 0 | 109.5 | F67 L68 V87 C99 | F67-C89 VanDerWaalsContact CA-O 3.29Å; F67-C89 WeakPolarHBondContact CA-O 3.38Å; F67-C89 WeakPolarHBondContact CD2-O 3.48Å; F67-C89 WeakPolarHBondContact CG-O 3.48Å; L68-C89 HydrophobicContact CB-CB 3.92Å; L68-C89 PolarHBondContact N-O 2.03Å; L68-C89 PolarHBondContact O-N 3.24Å; L68-C89 VanDerWaalsContact O-N 3.16Å; V87-C89 WeakPolarHBondContact CG1-O 3.47Å; C89-C99 WeakPolarHBondContact CA-SG 3.4Å; C89-C99 HydrophobicContact CB-CB 3.75Å; C89-C99 WeakPolarHBondContact CB-SG 3.49Å; C89-C99 WeakPolarHBondContact SG-CA 3.46Å; C89-C99 WeakPolarHBondContact SG-CB 3.48Å; C89-C99 CovalentContact SG-SG 2.03Å; C89-C99 PolarHBondContact SG-SG 2.82Å |
| 90 | S | 94.7 | Very high | 91.6 | Very high | 88 Ų | 88 | 74.6 Ų | 74.6 | 62% | 0.615 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -114 | 3.7 | 171.2 | 66.4 | 0 | 0 | 0 | 0 | 112.6 | D94 | S90-D94 WeakPolarHBondContact CB-OD2 3.49Å; S90-D94 PolarHBondContact N-OD2 2.93Å; S90-D94 PolarHBondContact OG-OD2 3.27Å |
| 91 | G | 92.3 | Very high | 91.6 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 27% | 0.268 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -174 | 176.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T66 | T66-G91 CarbonylContact O-C 3.56Å; T66-G91 WeakPolarHBondContact O-CA 3.41Å; T66-G91 PolarHBondContact O-N 2.88Å; T66-G91 VanDerWaalsContact O-N 3.16Å |
| 92 | A | 88.9 | Confident | 91.8 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 39% | 0.388 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -33.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | C99 G100 | A92-C99 CarbonylContact O-C 3.55Å; A92-C99 VanDerWaalsContact O-C 3.29Å; A92-G100 PolarHBondContact O-N 2.69Å |
| 93 | D | 87.1 | Confident | 91.9 | Very high | 172 Ų | 172 | 72.2 Ų | 72.2 | 92% | 0.92 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 33.2 | -177.1 | -59.5 | -41.8 | 0 | 0 | 0 | 112.8 | ||
| 94 | D | 89.4 | Confident | 91.8 | Very high | 60 Ų | 60 | 71.6 Ų | 71.6 | 32% | 0.321 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -78.9 | 176.7 | 179.7 | -144.8 | -27.3 | 0 | 0 | 0 | 112.2 | S90 Y96 C99 | S90-D94 WeakPolarHBondContact CB-OD2 3.49Å; S90-D94 PolarHBondContact N-OD2 2.93Å; S90-D94 PolarHBondContact OG-OD2 3.27Å; D94-Y96 VanDerWaalsContact C-N 3.32Å; D94-Y96 PolarHBondContact O-N 2.91Å; D94-C99 HydrophobicContact CB-CB 4.02Å |
| 95 | E | 88.1 | Confident | 91.8 | Very high | 171 Ų | 171 | 71.1 Ų | 71.1 | 80% | 0.799 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -61 | -35.5 | -171.3 | -173.7 | 175.8 | 178.8 | 0 | 0 | 113.8 | ||
| 96 | Y | 87.5 | Confident | 91.7 | Very high | 102 Ų | 102 | 71 Ų | 71 | 40% | 0.4 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -87.6 | 133.4 | -175.3 | -62.3 | -87.1 | 0 | 0 | 0 | 112 | L88 D94 V98 C99 | L88-Y96 HydrophobicContact CB-CD2 4.22Å; L88-Y96 HydrophobicContact CB-CE2 4.4Å; L88-Y96 HydrophobicContact CD2-CD2 4.41Å; L88-Y96 HydrophobicContact CD2-CE2 3.87Å; L88-Y96 WeakPolarHBondContact O-CD2 3.4Å; D94-Y96 VanDerWaalsContact C-N 3.32Å; D94-Y96 PolarHBondContact O-N 2.91Å; Y96-V98 PolarHBondContact O-N 3.22Å; Y96-C99 VanDerWaalsContact O-CB 3.25Å; Y96-C99 WeakPolarHBondContact O-CB 3.23Å; Y96-C99 PolarHBondContact O-N 2.86Å; Y96-C99 PolarHBondContact O-SG 2.87Å |
| 97 | A | 86.3 | Confident | 91.6 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 87% | 0.868 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -12 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C99 | A97-C99 VanDerWaalsContact C-N 3.33Š|
| 98 | V | 90.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 69.5 Ų | 69.5 | 18% | 0.176 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.6 | 173.7 | 70.8 | 0 | 0 | 0 | 0 | 112 | W59 I65 L68 Y96 T101 V107 | W59-V98 HydrophobicContact CZ3-CG2 4.03Å; I65-V98 HydrophobicContact CD1-CG2 3.68Å; L68-V98 HydrophobicContact CD2-CG1 4.38Å; Y96-V98 PolarHBondContact O-N 3.22Å; V98-T101 WeakPolarHBondContact O-CB 3.35Å; V98-T101 PolarHBondContact O-N 2.91Å; V98-T101 PolarHBondContact O-OG1 3.45Å; V98-V107 HydrophobicContact CG2-CG1 4.15Å; V98-V107 HydrophobicContact CG2-CG2 4.37Å |
| 99 | C | 92.8 | Very high | 91.3 | Very high | 12 Ų | 12 | 70.8 Ų | 70.8 | 8% | 0.081 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 139.2 | 176.8 | -50.7 | 0 | 0 | 0 | 0 | 110 | L88 C89 A92 D94 Y96 A97 T101 | L88-C99 PolarHBondContact O-SG 2.91Å; C89-C99 WeakPolarHBondContact CA-SG 3.4Å; C89-C99 HydrophobicContact CB-CB 3.75Å; C89-C99 WeakPolarHBondContact CB-SG 3.49Å; C89-C99 WeakPolarHBondContact SG-CA 3.46Å; C89-C99 WeakPolarHBondContact SG-CB 3.48Å; C89-C99 CovalentContact SG-SG 2.03Å; C89-C99 PolarHBondContact SG-SG 2.82Å; A92-C99 CarbonylContact O-C 3.55Å; A92-C99 VanDerWaalsContact O-C 3.29Å; D94-C99 HydrophobicContact CB-CB 4.02Å; Y96-C99 VanDerWaalsContact O-CB 3.25Å; Y96-C99 WeakPolarHBondContact O-CB 3.23Å; Y96-C99 PolarHBondContact O-N 2.86Å; Y96-C99 PolarHBondContact O-SG 2.87Å; A97-C99 VanDerWaalsContact C-N 3.33Å; C99-T101 PolarHBondContact O-N 2.88Å |
| 100 | G | 92.9 | Very high | 91 | Very high | 28 Ų | 28 | 75.5 Ų | 75.5 | 29% | 0.289 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I65 A92 L102 | I65-G100 PolarHBondContact O-N 2.86Å; A92-G100 PolarHBondContact O-N 2.69Å; G100-L102 PolarHBondContact O-N 2.89Å |
| 101 | T | 93.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 75.4 Ų | 75.4 | 9% | 0.086 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 131.2 | 175.1 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | P61 D64 I65 V98 C99 E105 V107 | P61-T101 HydrophobicContact CG-CG2 3.72Å; D64-T101 CarbonylContact C-O 3.6Å; D64-T101 WeakPolarHBondContact CA-O 3.02Å; I65-T101 HydrophobicContact CD1-CG2 4.47Å; I65-T101 PolarHBondContact N-O 2.97Å; V98-T101 WeakPolarHBondContact O-CB 3.35Å; V98-T101 PolarHBondContact O-N 2.91Å; V98-T101 PolarHBondContact O-OG1 3.45Å; C99-T101 PolarHBondContact O-N 2.88Å; T101-E105 HydrophobicContact CG2-CB 3.81Å; T101-E105 WeakPolarHBondContact CG2-OE2 3.33Å; T101-V107 HydrophobicContact CG2-CG2 3.55Å |
| 102 | L | 94.5 | Very high | 90.4 | Very high | 92 Ų | 92 | 78.3 Ų | 78.3 | 48% | 0.482 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 153.8 | 178.4 | -59.3 | 178.7 | 0 | 0 | 0 | 111.5 | G100 G104 E105 | G100-L102 PolarHBondContact O-N 2.89Å; L102-G104 PolarHBondContact O-N 3.34Å; L102-E105 HydrophobicContact CB-CG 4.06Å; L102-E105 PolarHBondContact N-OE2 3.27Å; L102-E105 WeakPolarHBondContact O-CB 3.35Å; L102-E105 WeakPolarHBondContact O-CG 3.22Å; L102-E105 PolarHBondContact O-N 2.8Å; L102-E105 VanDerWaalsContact O-N 3.13Å |
| 103 | K | 92.3 | Very high | 89.9 | Confident | 141 Ų | 141 | 79.6 Ų | 79.6 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 128.7 | 172.3 | 172.9 | 177.6 | -177.5 | 174.5 | 0 | 111.2 | R62 D64 E105 | R62-K103 WeakPolarHBondContact O-CD 3.4Å; R62-K103 WeakPolarHBondContact O-CE 2.87Å; R62-K103 VanDerWaalsContact O-CG 3.29Å; R62-K103 WeakPolarHBondContact O-CG 3.45Å; D64-K103 WeakPolarHBondContact OD1-CB 3.28Å; D64-K103 PolarHBondContact OD1-N 2.99Å; K103-E105 VanDerWaalsContact C-N 3.31Å |
| 104 | G | 91.3 | Very high | 89.3 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 50% | 0.495 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -7.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P61 L102 | P61-G104 PolarHBondContact O-N 3.16Å; L102-G104 PolarHBondContact O-N 3.34Å |
| 105 | E | 93.3 | Very high | 87.7 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 44% | 0.444 | 44% | 0.436 | S | S | . | . | trans | -68.3 | 160.6 | 171.7 | -66.3 | -173.2 | 144.6 | 0 | 0 | 111.5 | I60 P61 T101 L102 K103 | I60-E105 WeakPolarHBondContact CA-O 3.5Å; I60-E105 WeakPolarHBondContact CG2-O 3.32Å; P61-E105 VanDerWaalsContact CD-O 3.23Å; P61-E105 WeakPolarHBondContact CD-O 3.38Å; T101-E105 HydrophobicContact CG2-CB 3.81Å; T101-E105 WeakPolarHBondContact CG2-OE2 3.33Å; L102-E105 HydrophobicContact CB-CG 4.06Å; L102-E105 PolarHBondContact N-OE2 3.27Å; L102-E105 WeakPolarHBondContact O-CB 3.35Å; L102-E105 WeakPolarHBondContact O-CG 3.22Å; L102-E105 PolarHBondContact O-N 2.8Å; L102-E105 VanDerWaalsContact O-N 3.13Å; K103-E105 VanDerWaalsContact C-N 3.31Å | ||
| 106 | T | 92.8 | Very high | 85.7 | Confident | 95 Ų | 95 | 72 Ų | 72 | 58% | 0.583 | 43% | 0.427 | S | S | * | . | trans | -102.5 | 113.1 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | T58 | T58-T106 HydrophobicContact CG2-CG2 3.65Š| ||
| 107 | V | 91.4 | Very high | 83.9 | Confident | 24 Ų | 24 | 78.8 Ų | 78.8 | 15% | 0.145 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.1 | 171.6 | -175.9 | 0 | 0 | 0 | 0 | 108 | T58 W59 V98 T101 | T58-V107 CarbonylContact C-O 3.51Å; T58-V107 VanDerWaalsContact CA-O 3.28Å; T58-V107 WeakPolarHBondContact CA-O 3.29Å; W59-V107 PolarHBondContact N-O 2.81Å; W59-V107 PolarHBondContact O-N 2.88Å; V98-V107 HydrophobicContact CG2-CG1 4.15Å; V98-V107 HydrophobicContact CG2-CG2 4.37Å; T101-V107 HydrophobicContact CG2-CG2 3.55Å |
| 108 | A | 92.2 | Very high | 82.6 | Confident | 78 Ų | 78 | 77.9 Ų | 77.9 | 65% | 0.645 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L57 | L57-A108 WeakPolarHBondContact O-CA 2.96Å |
| 109 | T | 89.3 | Confident | 81.6 | Confident | 59 Ų | 59 | 82.9 Ų | 82.9 | 36% | 0.362 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.3 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | A56 L57 F111 | A56-T109 WeakPolarHBondContact CA-O 2.99Å; L57-T109 HydrophobicContact CB-CG2 3.9Å; L57-T109 HydrophobicContact CD2-CG2 4.08Å; L57-T109 HydrophobicContact CG-CG2 4.15Å; L57-T109 PolarHBondContact N-O 2.9Å; L57-T109 PolarHBondContact O-N 2.96Å; T109-F111 HydrophobicContact CG2-CD1 4.16Å; T109-F111 HydrophobicContact CG2-CE1 4.24Å |
| 110 | T | 89.7 | Confident | 80.8 | Confident | 100 Ų | 100 | 85.2 Ų | 85.2 | 61% | 0.613 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.6 | 173.9 | 54.5 | 0 | 0 | 0 | 0 | 108.9 | V55 A56 | V55-T110 CarbonylContact O-C 3.57Å; V55-T110 VanDerWaalsContact O-CA 3.28Å; V55-T110 WeakPolarHBondContact O-CA 3.48Å; A56-T110 HydrophobicContact CB-CG2 3.94Å |
| 111 | F | 87.1 | Confident | 80.5 | Confident | 85 Ų | 85 | 86.2 Ų | 86.2 | 37% | 0.373 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 152.4 | 178.5 | 57.8 | -90 | 0 | 0 | 0 | 111.5 | V55 L57 T109 I113 | V55-F111 HydrophobicContact CB-CD2 4.23Å; V55-F111 HydrophobicContact CB-CE1 4.32Å; V55-F111 HydrophobicContact CB-CE2 3.83Å; V55-F111 HydrophobicContact CB-CZ 3.88Å; V55-F111 HydrophobicContact CG1-CE1 4.1Å; V55-F111 HydrophobicContact CG1-CE2 4.12Å; V55-F111 HydrophobicContact CG1-CZ 3.68Å; V55-F111 HydrophobicContact CG2-CE2 4.23Å; V55-F111 PolarHBondContact N-O 2.84Å; V55-F111 PolarHBondContact O-N 2.89Å; L57-F111 HydrophobicContact CB-CE1 4.2Å; L57-F111 HydrophobicContact CD2-CE1 4.46Å; T109-F111 HydrophobicContact CG2-CD1 4.16Å; T109-F111 HydrophobicContact CG2-CE1 4.24Å; F111-I113 HydrophobicContact CD2-CG1 4.1Å; F111-I113 HydrophobicContact CE2-CD1 4.12Å; F111-I113 HydrophobicContact CE2-CG1 3.9Å |
| 112 | D | 86.3 | Confident | 80.2 | Confident | 87 Ų | 87 | 90.7 Ų | 90.7 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.8 | -179.8 | -73.3 | -16 | 0 | 0 | 0 | 110.3 | I52 W53 N54 K114 | I52-D112 HydrophobicContact CG2-CB 3.72Å; W53-D112 CarbonylContact O-C 3.49Å; W53-D112 WeakPolarHBondContact O-CA 3.32Å; N54-D112 PolarHBondContact ND2-OD1 2.91Å; D112-K114 PolarHBondContact O-N 2.84Å |
| 113 | I | 80 | Confident | 80.1 | Confident | 74 Ų | 74 | 87.1 Ų | 87.1 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 104.8 | 167 | -56.8 | 179.7 | 0 | 0 | 0 | 107.2 | I52 W53 V55 F111 G115 | I52-I113 WeakPolarHBondContact CA-O 3.25Å; W53-I113 HydrophobicContact CB-CB 4.34Å; W53-I113 PolarHBondContact N-O 3.43Å; W53-I113 PolarHBondContact O-N 3.45Å; V55-I113 HydrophobicContact CG2-CD1 3.5Å; V55-I113 VanDerWaalsContact CG2-CD1 3.5Å; V55-I113 HydrophobicContact CG2-CG1 3.88Å; F111-I113 HydrophobicContact CD2-CG1 4.1Å; F111-I113 HydrophobicContact CE2-CD1 4.12Å; F111-I113 HydrophobicContact CE2-CG1 3.9Å; I113-G115 PolarHBondContact O-N 3.42Å |
| 114 | K | 73.1 | Confident | 80.2 | Confident | 150 Ų | 150 | 85.7 Ų | 85.7 | 65% | 0.652 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 96.7 | 175.1 | -62.4 | -178.1 | -179.1 | 174.2 | 0 | 109 | I52 D112 A116 | I52-K114 HydrophobicContact CG1-CG 4.23Å; I52-K114 HydrophobicContact CG2-CG 4.47Å; D112-K114 PolarHBondContact O-N 2.84Å; K114-A116 PolarHBondContact O-N 2.7Å |
| 115 | G | 56.7 | Low | 80.3 | Confident | 21 Ų | 21 | 83.9 Ų | 83.9 | 22% | 0.216 | 46% | 0.455 | C | S | . | . | trans | -71.7 | -9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P51 I113 R117 T118 | P51-G115 PolarHBondContact O-N 2.87Å; I113-G115 PolarHBondContact O-N 3.42Å; G115-R117 PolarHBondContact O-N 3.35Å; G115-T118 PolarHBondContact O-N 2.87Å; G115-T118 VanDerWaalsContact O-N 3.1Å | ||
| 116 | A | 45.1 | Very low | 80.4 | Confident | 73 Ų | 73 | 81 Ų | 81 | 60% | 0.603 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -10.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | P51 K114 | P51-A116 HydrophobicContact CB-CB 3.89Å; P51-A116 PolarHBondContact O-N 2.81Å; K114-A116 PolarHBondContact O-N 2.7Å |
| 117 | R | 51 | Low | 80.4 | Confident | 244 Ų | 244 | 77.8 Ų | 77.8 | 92% | 0.921 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -7.5 | 179.1 | -70 | -171.6 | 179.9 | -176.8 | 1.2 | 114.3 | G115 | G115-R117 PolarHBondContact O-N 3.35Š|
| 118 | T | 58.3 | Low | 80.5 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | trans | -138.7 | 118.9 | -176 | 50.4 | 0 | 0 | 0 | 0 | 110.1 | G115 F120 | G115-T118 PolarHBondContact O-N 2.87Å; G115-T118 VanDerWaalsContact O-N 3.1Å; T118-F120 WeakPolarHBondContact O-CD2 3.3Å; T118-F120 PolarHBondContact O-N 2.93Å | ||
| 119 | T | 69.7 | Low | 80.6 | Confident | 135 Ų | 135 | 76.5 Ų | 76.5 | 83% | 0.828 | 40% | 0.403 | S | S | * | . | trans | -62.1 | 128.3 | 162.4 | 48.2 | 0 | 0 | 0 | 0 | 107.8 | P121 | T119-P121 VanDerWaalsContact O-CD 3.24Å; T119-P121 WeakPolarHBondContact O-CD 3.26Å | ||
| 120 | F | 77.1 | Confident | 80.9 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 26% | 0.263 | 40% | 0.395 | S | S | . | . | trans | -95.8 | 107.1 | 170.9 | -70.2 | -98.2 | 0 | 0 | 0 | 107.7 | M47 T118 Y125 M148 V150 | M47-F120 HydrophobicContact CE-CB 3.65Å; M47-F120 HydrophobicContact CE-CD2 3.15Å; M47-F120 HydrophobicContact CE-CE2 3.92Å; M47-F120 HydrophobicContact CE-CG 3.59Å; T118-F120 WeakPolarHBondContact O-CD2 3.3Å; T118-F120 PolarHBondContact O-N 2.93Å; F120-Y125 HydrophobicContact CD1-CE1 4.03Å; F120-M148 HydrophobicContact CD1-CE 3.91Å; F120-M148 HydrophobicContact CE1-CE 4.13Å; F120-V150 HydrophobicContact CB-CG2 4.48Å | ||
| 121 | P | 84.7 | Confident | 81.1 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | trans | -53.7 | 154.5 | 172.6 | -26.9 | 33.8 | 0 | 0 | 0 | 112.1 | Y76 T119 G123 Y125 | Y76-P121 HydrophobicContact CE2-CB 4.31Å; Y76-P121 WeakPolarHBondContact OH-CB 3.06Å; T119-P121 VanDerWaalsContact O-CD 3.24Å; T119-P121 WeakPolarHBondContact O-CD 3.26Å; P121-G123 PolarHBondContact O-N 3.33Å; P121-Y125 WeakPolarHBondContact CD-OH 3.33Å; P121-Y125 VanDerWaalsContact N-OH 3.12Å; P121-Y125 WeakPolarHBondContact O-CE2 3.34Å; P121-Y125 PolarHBondContact O-OH 2.51Å | ||
| 122 | Q | 89.4 | Confident | 81.5 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -57.7 | 140.5 | 168.8 | -168.2 | -177.1 | -15.3 | 0 | 0 | 109.8 | Y76 V150 K151 E153 | Y76-Q122 PolarHBondContact OH-O 2.89Å; Q122-V150 WeakPolarHBondContact CG-O 3.29Å; Q122-K151 PolarHBondContact NE2-O 2.87Å; Q122-K151 VanDerWaalsContact NE2-O 3.1Å; Q122-E153 HydrophobicContact CB-CG 3.79Å; Q122-E153 PolarHBondContact N-OE1 2.85Å |
| 123 | G | 91.4 | Very high | 81.8 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.1 | -168.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P121 V150 | P121-G123 PolarHBondContact O-N 3.33Å; G123-V150 PolarHBondContact N-O 2.88Å; G123-V150 PolarHBondContact O-N 3.07Å |
| 124 | K | 93.8 | Very high | 82.4 | Confident | 111 Ų | 111 | 62.5 Ų | 62.5 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.7 | -176.8 | -171.9 | 178.5 | 179.3 | -179.2 | 0 | 110.4 | D77 T147 | D77-K124 PolarHBondContact N-O 2.84Å; D77-K124 PolarHBondContact OD1-N 2.95Å; K124-T147 HydrophobicContact CG-CG2 4.37Å |
| 125 | Y | 93.4 | Very high | 83.3 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.3 | 175 | -60.5 | -99.5 | 0 | 0 | 0 | 109.6 | V74 L75 Y76 F120 P121 T147 M148 V150 | V74-Y125 HydrophobicContact CG1-CD1 4.18Å; L75-Y125 CarbonylContact O-C 3.59Å; L75-Y125 VanDerWaalsContact O-CA 3.26Å; L75-Y125 WeakPolarHBondContact O-CA 3.48Å; Y76-Y125 AromaticContact CD2-CD1 3.96Å; Y76-Y125 HydrophobicContact CD2-CD1 3.96Å; Y76-Y125 HydrophobicContact CD2-CD2 4.36Å; Y76-Y125 AromaticContact CD2-CE1 3.45Å; Y76-Y125 HydrophobicContact CD2-CE1 3.45Å; Y76-Y125 VanDerWaalsContact CD2-CE1 3.45Å; Y76-Y125 AromaticContact CD2-CE2 3.88Å; Y76-Y125 HydrophobicContact CD2-CE2 3.88Å; Y76-Y125 HydrophobicContact CD2-CG 4.38Å; Y76-Y125 AromaticContact CD2-CZ 3.4Å; Y76-Y125 HydrophobicContact CE2-CE1 4.22Å; Y76-Y125 HydrophobicContact CE2-CE2 4.03Å; Y76-Y125 AromaticContact CE2-CZ 3.7Å; Y76-Y125 HydrophobicContact CG-CE1 4.05Å; F120-Y125 HydrophobicContact CD1-CE1 4.03Å; P121-Y125 WeakPolarHBondContact CD-OH 3.33Å; P121-Y125 VanDerWaalsContact N-OH 3.12Å; P121-Y125 WeakPolarHBondContact O-CE2 3.34Å; P121-Y125 PolarHBondContact O-OH 2.51Å; Y125-T147 WeakPolarHBondContact O-CA 3.38Å; Y125-M148 HydrophobicContact CD1-CE 4.14Å; Y125-M148 HydrophobicContact CD2-CE 3.59Å; Y125-M148 HydrophobicContact CE2-CE 4.15Å; Y125-M148 HydrophobicContact CG-CE 3.59Å; Y125-M148 PolarHBondContact N-O 2.81Å; Y125-M148 PolarHBondContact O-N 2.63Å; Y125-V150 HydrophobicContact CD2-CG2 4.04Å; Y125-V150 HydrophobicContact CE2-CB 4.24Å; Y125-V150 HydrophobicContact CE2-CG2 3.65Å |
| 126 | T | 95.3 | Very high | 85.1 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.8 | 168.4 | -60.3 | 0 | 0 | 0 | 0 | 107.7 | V74 L75 I128 N145 F146 | V74-T126 CarbonylContact C-O 3.2Å; V74-T126 WeakPolarHBondContact CA-O 3.46Å; L75-T126 HydrophobicContact CD1-CG2 4.46Å; L75-T126 PolarHBondContact N-O 3.25Å; L75-T126 PolarHBondContact O-N 2.88Å; T126-I128 HydrophobicContact CG2-CD1 4.46Å; T126-I128 HydrophobicContact CG2-CG1 4.13Å; T126-N145 WeakPolarHBondContact CG2-OD1 3.48Å; T126-F146 WeakPolarHBondContact CA-O 3.46Å |
| 127 | I | 93.4 | Very high | 87.3 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.5 | -176.6 | -58.1 | 158 | 0 | 0 | 0 | 107.5 | F72 K73 V74 I129 F146 M148 | F72-I127 HydrophobicContact CD2-CG2 4.1Å; F72-I127 HydrophobicContact CE1-CG2 4.18Å; F72-I127 HydrophobicContact CE2-CG2 3.24Å; F72-I127 HydrophobicContact CZ-CG2 3.29Å; K73-I127 CarbonylContact O-C 3.6Å; K73-I127 VanDerWaalsContact O-CA 3.31Å; K73-I127 WeakPolarHBondContact O-CA 3.49Å; V74-I127 HydrophobicContact CG1-CG1 4.21Å; V74-I127 HydrophobicContact CG2-CG1 4.28Å; I127-I129 HydrophobicContact CG2-CG1 4.33Å; I127-F146 HydrophobicContact CB-CB 4.12Å; I127-F146 PolarHBondContact N-O 3.13Å; I127-F146 PolarHBondContact O-N 2.77Å; I127-M148 HydrophobicContact CD1-CB 4.4Å |
| 128 | I | 94.6 | Very high | 89.1 | Confident | 37 Ų | 37 | 58 Ų | 58 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.1 | -177.2 | -53.7 | 171.3 | 0 | 0 | 0 | 108 | F72 K73 L75 T126 H130 L144 | F72-I128 WeakPolarHBondContact CA-O 3.49Å; K73-I128 HydrophobicContact CB-CB 4.31Å; K73-I128 PolarHBondContact N-O 3.48Å; K73-I128 PolarHBondContact O-N 2.82Å; L75-I128 HydrophobicContact CD1-CD1 3.98Å; L75-I128 HydrophobicContact CD1-CG1 4.46Å; T126-I128 HydrophobicContact CG2-CD1 4.46Å; T126-I128 HydrophobicContact CG2-CG1 4.13Å; I128-H130 VanDerWaalsContact CG2-NE2 3.35Å; I128-H130 WeakPolarHBondContact CG2-NE2 3.28Å; I128-L144 WeakPolarHBondContact CA-O 3.16Å |
| 129 | I | 94 | Very high | 90.7 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.8 | 177 | -46.4 | -170.1 | 0 | 0 | 0 | 108.2 | V70 V71 F72 I127 L144 F146 | V70-I129 HydrophobicContact CG1-CG2 4.09Å; V71-I129 WeakPolarHBondContact O-CA 3.35Å; F72-I129 HydrophobicContact CD2-CD1 3.98Å; F72-I129 HydrophobicContact CD2-CG1 3.75Å; F72-I129 HydrophobicContact CE2-CD1 3.87Å; F72-I129 HydrophobicContact CE2-CG1 3.94Å; I127-I129 HydrophobicContact CG2-CG1 4.33Å; I129-L144 HydrophobicContact CB-CB 4.35Å; I129-L144 PolarHBondContact N-O 3.36Å; I129-L144 PolarHBondContact O-N 3.18Å; I129-F146 HydrophobicContact CD1-CD2 4.15Å; I129-F146 HydrophobicContact CD1-CE2 3.62Å; I129-F146 HydrophobicContact CD1-CZ 4.42Å; I129-F146 HydrophobicContact CG1-CD2 4.25Å; I129-F146 HydrophobicContact CG1-CE2 4.04Å |
| 130 | H | 94.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 18% | 0.181 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.9 | 168.1 | -59.3 | 152.8 | 0 | 0 | 0 | 110 | V70 V71 I128 F132 V142 C143 | V70-H130 CarbonylContact C-O 3.53Å; V70-H130 WeakPolarHBondContact CA-O 3.42Å; V71-H130 HydrophobicContact CB-CB 4.37Å; V71-H130 PolarHBondContact N-O 2.02Å; V71-H130 PolarHBondContact O-N 3.5Å; I128-H130 VanDerWaalsContact CG2-NE2 3.35Å; I128-H130 WeakPolarHBondContact CG2-NE2 3.28Å; H130-F132 HydrophobicContact CB-CD2 4.3Å; H130-F132 HydrophobicContact CB-CE2 3.42Å; H130-F132 VanDerWaalsContact CB-CE2 3.42Å; H130-F132 HydrophobicContact CB-CZ 3.56Å; H130-V142 CarbonylContact C-O 3.56Å; H130-V142 VanDerWaalsContact CA-O 3.3Å; H130-V142 WeakPolarHBondContact CA-O 3.47Å; H130-C143 VanDerWaalsContact CD2-SG 3.53Å |
| 131 | G | 94.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | K69 L141 V142 | K69-G131 CarbonylContact O-C 3.59Å; K69-G131 WeakPolarHBondContact O-CA 3.47Å; G131-L141 PolarHBondContact O-N 3.41Å; G131-V142 PolarHBondContact N-O 3.14Å; G131-V142 PolarHBondContact O-N 3.31Å; G131-V142 VanDerWaalsContact O-N 3.12Å |
| 132 | F | 94.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 142.6 | -177.9 | -58.4 | -83.5 | 0 | 0 | 0 | 111.6 | L68 K69 V71 H130 D134 E137 N139 M140 | L68-F132 CarbonylContact C-O 3.55Å; L68-F132 VanDerWaalsContact CA-O 3.32Å; L68-F132 WeakPolarHBondContact CA-O 3.2Å; K69-F132 HydrophobicContact CB-CB 4.49Å; K69-F132 PolarHBondContact N-O 2.72Å; K69-F132 PolarHBondContact O-N 2.86Å; V71-F132 HydrophobicContact CB-CE2 4.24Å; V71-F132 HydrophobicContact CG2-CD2 4.16Å; V71-F132 HydrophobicContact CG2-CE2 3.75Å; H130-F132 HydrophobicContact CB-CD2 4.3Å; H130-F132 HydrophobicContact CB-CE2 3.42Å; H130-F132 VanDerWaalsContact CB-CE2 3.42Å; H130-F132 HydrophobicContact CB-CZ 3.56Å; F132-D134 WeakPolarHBondContact CB-O 3.12Å; F132-D134 PolarHBondContact O-N 2.79Å; F132-E137 VanDerWaalsContact CD1-C 3.42Å; F132-E137 HydrophobicContact CD1-CB 4.1Å; F132-E137 WeakPolarHBondContact CD1-O 3.28Å; F132-E137 HydrophobicContact CD2-CB 4.07Å; F132-E137 HydrophobicContact CD2-CG 3.89Å; F132-E137 HydrophobicContact CE1-CB 3.98Å; F132-E137 WeakPolarHBondContact CE1-O 3.07Å; F132-E137 HydrophobicContact CE2-CB 3.94Å; F132-E137 HydrophobicContact CE2-CG 3.93Å; F132-E137 HydrophobicContact CG-CB 4.13Å; F132-E137 HydrophobicContact CG-CG 4.31Å; F132-E137 HydrophobicContact CZ-CB 3.89Å; F132-E137 HydrophobicContact CZ-CG 4.39Å; F132-N139 CarbonylContact C-O 3.58Å; F132-N139 VanDerWaalsContact CA-O 3.25Å; F132-N139 WeakPolarHBondContact CA-O 3.47Å; F132-M140 HydrophobicContact CD1-CB 4.23Å; F132-M140 HydrophobicContact CE1-CB 4.18Å; F132-M140 HydrophobicContact CE1-CE 3.9Å; F132-M140 HydrophobicContact CE1-CG 4.34Å; F132-M140 HydrophobicContact CZ-CE 4.22Å |
| 133 | A | 93.6 | Very high | 92.6 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -80.6 | 4.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F67 N139 L141 | F67-A133 WeakPolarHBondContact CB-O 3.47Å; F67-A133 VanDerWaalsContact CD1-C 3.44Å; F67-A133 WeakPolarHBondContact O-CA 3.16Å; A133-N139 HydrophobicContact CB-CB 4.08Å; A133-N139 PolarHBondContact N-O 3.39Å; A133-L141 HydrophobicContact CB-CD1 3.71Å; A133-L141 HydrophobicContact CB-CD2 3.93Å; A133-L141 HydrophobicContact CB-CG 3.73Å |
| 134 | D | 92.9 | Very high | 92.7 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -154.7 | 162.8 | -178.4 | 71 | 94 | 0 | 0 | 0 | 111.4 | F67 F132 S136 E137 N139 | F67-D134 VanDerWaalsContact CD1-CA 3.46Å; F132-D134 WeakPolarHBondContact CB-O 3.12Å; F132-D134 PolarHBondContact O-N 2.79Å; D134-S136 VanDerWaalsContact C-N 3.33Å; D134-S136 PolarHBondContact O-N 3.13Å; D134-S136 WeakPolarHBondContact OD1-CA 3.5Å; D134-S136 WeakPolarHBondContact OD1-CB 3.5Å; D134-S136 PolarHBondContact OD1-N 2.74Å; D134-S136 PolarHBondContact OD1-OG 2.02Å; D134-E137 PolarHBondContact OD1-N 3.37Å; D134-E137 VanDerWaalsContact OD1-N 3.14Å; D134-N139 WeakPolarHBondContact OD2-CA 3.07Å; D134-N139 WeakPolarHBondContact OD2-CB 3.41Å; D134-N139 VanDerWaalsContact OD2-CG 3.27Å; D134-N139 PolarHBondContact OD2-N 3.43Å; D134-N139 PolarHBondContact OD2-ND2 3.45Å |
| 135 | D | 92.1 | Very high | 92.7 | Very high | 96 Ų | 96 | 43.2 Ų | 43.2 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -23 | -178.6 | -169.4 | 51.8 | 0 | 0 | 0 | 113.7 | F67 K69 E137 | F67-D135 HydrophobicContact CE1-CB 4.42Å; F67-D135 HydrophobicContact CZ-CB 3.9Å; K69-D135 WeakPolarHBondContact CD-OD1 3.49Å; K69-D135 WeakPolarHBondContact CE-OD1 3.25Å; K69-D135 PolarHBondContact NZ-O 2.83Å; K69-D135 IonicContact NZ-OD1 3.34Å; K69-D135 PolarHBondContact NZ-OD1 3.12Å; D135-E137 PolarHBondContact O-N 2.73Å |
| 136 | S | 93 | Very high | 92.7 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -1.7 | -179 | 81.5 | 0 | 0 | 0 | 0 | 114.2 | D134 K138 | D134-S136 VanDerWaalsContact C-N 3.33Å; D134-S136 PolarHBondContact O-N 3.13Å; D134-S136 WeakPolarHBondContact OD1-CA 3.5Å; D134-S136 WeakPolarHBondContact OD1-CB 3.5Å; D134-S136 PolarHBondContact OD1-N 2.74Å; D134-S136 PolarHBondContact OD1-OG 2.02Å; S136-K138 PolarHBondContact O-N 3.3Å |
| 137 | E | 91.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 60.4 | 30.3 | 177.4 | -59.7 | 173.2 | -164.8 | 0 | 0 | 113 | K69 K85 F132 D134 D135 | K69-E137 HydrophobicContact CD-CG 4.23Å; K69-E137 VanDerWaalsContact CE-OE1 3.23Å; K69-E137 WeakPolarHBondContact CE-OE1 3.09Å; K69-E137 IonicContact NZ-OE1 2.69Å; K69-E137 PolarHBondContact NZ-OE1 2.94Å; K85-E137 WeakPolarHBondContact CD-OE1 3.23Å; K85-E137 VanDerWaalsContact NZ-CD 3.27Å; K85-E137 IonicContact NZ-OE1 2.72Å; K85-E137 PolarHBondContact NZ-OE1 3.42Å; K85-E137 IonicContact NZ-OE2 2.95Å; K85-E137 PolarHBondContact NZ-OE2 2.81Å; F132-E137 VanDerWaalsContact CD1-C 3.42Å; F132-E137 HydrophobicContact CD1-CB 4.1Å; F132-E137 WeakPolarHBondContact CD1-O 3.28Å; F132-E137 HydrophobicContact CD2-CB 4.07Å; F132-E137 HydrophobicContact CD2-CG 3.89Å; F132-E137 HydrophobicContact CE1-CB 3.98Å; F132-E137 WeakPolarHBondContact CE1-O 3.07Å; F132-E137 HydrophobicContact CE2-CB 3.94Å; F132-E137 HydrophobicContact CE2-CG 3.93Å; F132-E137 HydrophobicContact CG-CB 4.13Å; F132-E137 HydrophobicContact CG-CG 4.31Å; F132-E137 HydrophobicContact CZ-CB 3.89Å; F132-E137 HydrophobicContact CZ-CG 4.39Å; D134-E137 PolarHBondContact OD1-N 3.37Å; D134-E137 VanDerWaalsContact OD1-N 3.14Å; D135-E137 PolarHBondContact O-N 2.73Å |
| 138 | K | 89.8 | Confident | 92.6 | Very high | 168 Ų | 168 | 42.6 Ų | 42.6 | 73% | 0.73 | 23% | 0.226 | S | C | * | . | trans | -101.3 | -34.6 | -178.7 | -70.4 | -179.4 | -176.2 | 175.1 | 0 | 113.5 | S136 M140 | S136-K138 PolarHBondContact O-N 3.3Å; K138-M140 PolarHBondContact O-N 2.96Å | ||
| 139 | N | 90.2 | Very high | 92.5 | Very high | 99 Ų | 99 | 43 Ų | 43 | 53% | 0.529 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -97.6 | 88.1 | -179.1 | -56.4 | -68.9 | 0 | 0 | 0 | 109.6 | F132 A133 D134 L141 | F132-N139 CarbonylContact C-O 3.58Å; F132-N139 VanDerWaalsContact CA-O 3.25Å; F132-N139 WeakPolarHBondContact CA-O 3.47Å; A133-N139 HydrophobicContact CB-CB 4.08Å; A133-N139 PolarHBondContact N-O 3.39Å; D134-N139 WeakPolarHBondContact OD2-CA 3.07Å; D134-N139 WeakPolarHBondContact OD2-CB 3.41Å; D134-N139 VanDerWaalsContact OD2-CG 3.27Å; D134-N139 PolarHBondContact OD2-N 3.43Å; D134-N139 PolarHBondContact OD2-ND2 3.45Å; N139-L141 PolarHBondContact O-N 2.85Å |
| 140 | M | 90.5 | Very high | 92.3 | Very high | 75 Ų | 75 | 41.3 Ų | 41.3 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.2 | -179.1 | -168.7 | 174.8 | -70.1 | 0 | 0 | 111.3 | F132 K138 C143 | F132-M140 HydrophobicContact CD1-CB 4.23Å; F132-M140 HydrophobicContact CE1-CB 4.18Å; F132-M140 HydrophobicContact CE1-CE 3.9Å; F132-M140 HydrophobicContact CE1-CG 4.34Å; F132-M140 HydrophobicContact CZ-CE 4.22Å; K138-M140 PolarHBondContact O-N 2.96Å; M140-C143 HydrophobicContact CG-CB 4.39Å; M140-C143 HydrophobicContact SD-CB 3.5Å; M140-C143 WeakPolarHBondContact SD-CB 3.13Å |
| 141 | L | 90 | Very high | 92 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -36.9 | 172.9 | -68 | -179.7 | 0 | 0 | 0 | 112.1 | Q36 N63 L68 G131 A133 N139 | Q36-L141 PolarHBondContact NE2-O 3.34Å; Q36-L141 PolarHBondContact OE1-O 2.82Å; Q36-L141 VanDerWaalsContact OE1-O 3.13Å; N63-L141 HydrophobicContact CB-CD2 3.78Å; N63-L141 VanDerWaalsContact ND2-CD2 3.28Å; N63-L141 WeakPolarHBondContact ND2-CD2 3.39Å; L68-L141 HydrophobicContact CD1-CD1 4.09Å; G131-L141 PolarHBondContact O-N 3.41Å; A133-L141 HydrophobicContact CB-CD1 3.71Å; A133-L141 HydrophobicContact CB-CD2 3.93Å; A133-L141 HydrophobicContact CB-CG 3.73Å; N139-L141 PolarHBondContact O-N 2.85Å |
| 142 | V | 90.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.085 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 135.5 | -174.1 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | F38 W59 H130 G131 L144 | F38-V142 HydrophobicContact CE1-CG1 4.2Å; F38-V142 HydrophobicContact CE2-CG1 4.14Å; F38-V142 HydrophobicContact CZ-CB 4.27Å; F38-V142 HydrophobicContact CZ-CG1 3.52Å; F38-V142 HydrophobicContact CZ-CG2 3.78Å; W59-V142 HydrophobicContact CH2-CG2 3.96Å; W59-V142 HydrophobicContact CZ2-CG2 3.58Å; H130-V142 CarbonylContact C-O 3.56Å; H130-V142 VanDerWaalsContact CA-O 3.3Å; H130-V142 WeakPolarHBondContact CA-O 3.47Å; G131-V142 PolarHBondContact N-O 3.14Å; G131-V142 PolarHBondContact O-N 3.31Å; G131-V142 VanDerWaalsContact O-N 3.12Å; V142-L144 HydrophobicContact CG1-CD1 4.01Å; V142-L144 HydrophobicContact CG1-CG 4.05Å |
| 143 | C | 91.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 105.5 | 174.6 | -156.5 | 0 | 0 | 0 | 0 | 109.8 | C31 D32 H130 M140 | C31-C143 HydrophobicContact CB-CB 4.23Å; C31-C143 WeakPolarHBondContact CB-SG 3.43Å; C31-C143 PolarHBondContact N-O 2.81Å; C31-C143 WeakPolarHBondContact SG-CA 3.46Å; C31-C143 WeakPolarHBondContact SG-CB 3.23Å; C31-C143 CovalentContact SG-SG 2.02Å; C31-C143 PolarHBondContact SG-SG 3.24Å; D32-C143 HydrophobicContact CB-CB 3.88Å; H130-C143 VanDerWaalsContact CD2-SG 3.53Å; M140-C143 HydrophobicContact CG-CB 4.39Å; M140-C143 HydrophobicContact SD-CB 3.5Å; M140-C143 WeakPolarHBondContact SD-CB 3.13Å |
| 144 | L | 92.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.3 | 178.7 | -62.6 | 168.3 | 0 | 0 | 0 | 110.1 | Y28 F30 C31 F38 F40 I128 I129 V142 F146 | Y28-L144 HydrophobicContact CD2-CD2 3.8Å; Y28-L144 HydrophobicContact CE2-CD2 4.13Å; F30-L144 HydrophobicContact CD1-CD2 3.6Å; F30-L144 HydrophobicContact CE1-CD2 3.47Å; F30-L144 VanDerWaalsContact CE1-CD2 3.47Å; F30-L144 HydrophobicContact CZ-CD2 4.34Å; C31-L144 PolarHBondContact SG-N 3.07Å; F38-L144 HydrophobicContact CD1-CD1 4.07Å; F38-L144 HydrophobicContact CD2-CD2 4.46Å; F38-L144 HydrophobicContact CE1-CD1 4.11Å; F38-L144 HydrophobicContact CG-CD1 4.42Å; F38-L144 HydrophobicContact CG-CD2 4.5Å; F38-L144 HydrophobicContact CZ-CD1 4.45Å; F40-L144 HydrophobicContact CE2-CD1 3.91Å; F40-L144 HydrophobicContact CZ-CD1 3.53Å; I128-L144 WeakPolarHBondContact CA-O 3.16Å; I129-L144 HydrophobicContact CB-CB 4.35Å; I129-L144 PolarHBondContact N-O 3.36Å; I129-L144 PolarHBondContact O-N 3.18Å; V142-L144 HydrophobicContact CG1-CD1 4.01Å; V142-L144 HydrophobicContact CG1-CG 4.05Å; L144-F146 HydrophobicContact CB-CD2 4.11Å; L144-F146 HydrophobicContact CB-CE2 3.52Å; L144-F146 HydrophobicContact CB-CZ 4.35Å; L144-F146 HydrophobicContact CD1-CE2 3.9Å; L144-F146 HydrophobicContact CD1-CZ 4.07Å; L144-F146 HydrophobicContact CG-CE2 4.3Å |
| 145 | N | 93.8 | Very high | 86.1 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 107.7 | 172.5 | -177.1 | -11.2 | 0 | 0 | 0 | 108.5 | Y28 T29 T126 | Y28-N145 CarbonylContact C-O 3.52Å; Y28-N145 VanDerWaalsContact CA-O 3.26Å; Y28-N145 WeakPolarHBondContact CA-O 3.36Å; T29-N145 PolarHBondContact N-O 2.79Å; T29-N145 PolarHBondContact O-N 2.84Å; T29-N145 PolarHBondContact OG1-O 3.18Å; T126-N145 WeakPolarHBondContact CG2-OD1 3.48Å |
| 146 | F | 93.6 | Very high | 85.8 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 138.2 | 176.1 | -62.1 | -108 | 0 | 0 | 0 | 110 | L18 I26 S27 Y28 F40 T126 I127 I129 L144 | L18-F146 HydrophobicContact CD1-CD1 3.52Å; L18-F146 HydrophobicContact CD1-CE1 3.47Å; L18-F146 VanDerWaalsContact CD1-CE1 3.47Å; I26-F146 HydrophobicContact CG2-CD1 4.36Å; S27-F146 CarbonylContact O-C 3.29Å; S27-F146 VanDerWaalsContact O-CA 3.23Å; S27-F146 WeakPolarHBondContact O-CA 3.08Å; Y28-F146 HydrophobicContact CG-CD1 4.47Å; Y28-F146 HydrophobicContact CG-CE1 4.26Å; F40-F146 HydrophobicContact CD2-CZ 4.45Å; F40-F146 AromaticContact CE1-CZ 3.96Å; F40-F146 HydrophobicContact CE1-CZ 3.96Å; F40-F146 HydrophobicContact CE2-CE1 4.4Å; F40-F146 AromaticContact CE2-CZ 3.89Å; F40-F146 HydrophobicContact CE2-CZ 3.89Å; F40-F146 HydrophobicContact CZ-CE1 4.44Å; F40-F146 AromaticContact CZ-CZ 3.66Å; F40-F146 HydrophobicContact CZ-CZ 3.66Å; T126-F146 WeakPolarHBondContact CA-O 3.46Å; I127-F146 HydrophobicContact CB-CB 4.12Å; I127-F146 PolarHBondContact N-O 3.13Å; I127-F146 PolarHBondContact O-N 2.77Å; I129-F146 HydrophobicContact CD1-CD2 4.15Å; I129-F146 HydrophobicContact CD1-CE2 3.62Å; I129-F146 HydrophobicContact CD1-CZ 4.42Å; I129-F146 HydrophobicContact CG1-CD2 4.25Å; I129-F146 HydrophobicContact CG1-CE2 4.04Å; L144-F146 HydrophobicContact CB-CD2 4.11Å; L144-F146 HydrophobicContact CB-CE2 3.52Å; L144-F146 HydrophobicContact CB-CZ 4.35Å; L144-F146 HydrophobicContact CD1-CE2 3.9Å; L144-F146 HydrophobicContact CD1-CZ 4.07Å; L144-F146 HydrophobicContact CG-CE2 4.3Å |
| 147 | T | 94.4 | Very high | 85.4 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.2 | 166 | -62.4 | 0 | 0 | 0 | 0 | 108 | I26 S27 K124 Y125 | I26-T147 WeakPolarHBondContact CA-O 3.41Å; S27-T147 PolarHBondContact N-O 2.9Å; S27-T147 PolarHBondContact O-N 3.26Å; K124-T147 HydrophobicContact CG-CG2 4.37Å; Y125-T147 WeakPolarHBondContact O-CA 3.38Å |
| 148 | M | 92.6 | Very high | 85.1 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.4 | 174.2 | 172.5 | 177.8 | 84.3 | 0 | 0 | 108.9 | L24 E25 I26 W53 F120 Y125 I127 V150 | L24-M148 HydrophobicContact CD1-CG 3.69Å; L24-M148 HydrophobicContact CD1-SD 4Å; E25-M148 CarbonylContact O-C 3.6Å; E25-M148 WeakPolarHBondContact O-CA 3.17Å; I26-M148 HydrophobicContact CD1-CG 4.5Å; I26-M148 HydrophobicContact CD1-SD 4.42Å; I26-M148 HydrophobicContact CG1-CB 4.33Å; I26-M148 HydrophobicContact CG1-CG 4.09Å; W53-M148 HydrophobicContact CH2-SD 3.94Å; W53-M148 HydrophobicContact CZ3-SD 4.23Å; F120-M148 HydrophobicContact CD1-CE 3.91Å; F120-M148 HydrophobicContact CE1-CE 4.13Å; Y125-M148 HydrophobicContact CD1-CE 4.14Å; Y125-M148 HydrophobicContact CD2-CE 3.59Å; Y125-M148 HydrophobicContact CE2-CE 4.15Å; Y125-M148 HydrophobicContact CG-CE 3.59Å; Y125-M148 PolarHBondContact N-O 2.81Å; Y125-M148 PolarHBondContact O-N 2.63Å; I127-M148 HydrophobicContact CD1-CB 4.4Å; M148-V150 HydrophobicContact CE-CG2 4.2Å; M148-V150 HydrophobicContact CG-CG2 4.49Å |
| 149 | T | 92.8 | Very high | 84.8 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.1 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | L24 E25 K151 | L24-T149 WeakPolarHBondContact CA-O 3.11Å; E25-T149 PolarHBondContact N-O 2.87Å; E25-T149 PolarHBondContact O-N 2.86Å; T149-K151 HydrophobicContact CG2-CG 4.32Å |
| 150 | V | 89.9 | Confident | 84.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.6 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | L24 F120 Q122 G123 Y125 M148 Q152 | L24-V150 HydrophobicContact CD1-CG2 4.27Å; F120-V150 HydrophobicContact CB-CG2 4.48Å; Q122-V150 WeakPolarHBondContact CG-O 3.29Å; G123-V150 PolarHBondContact N-O 2.88Å; G123-V150 PolarHBondContact O-N 3.07Å; Y125-V150 HydrophobicContact CD2-CG2 4.04Å; Y125-V150 HydrophobicContact CE2-CB 4.24Å; Y125-V150 HydrophobicContact CE2-CG2 3.65Å; M148-V150 HydrophobicContact CE-CG2 4.2Å; M148-V150 HydrophobicContact CG-CG2 4.49Å; V150-Q152 VanDerWaalsContact CG1-O 3.29Å; V150-Q152 WeakPolarHBondContact CG1-O 3.5Å |
| 151 | K | 88.9 | Confident | 84 | Confident | 67 Ų | 67 | 50.5 Ų | 50.5 | 29% | 0.291 | 27% | 0.268 | S | S | . | . | trans | -89.3 | -28.2 | -174.5 | -60.8 | 172.9 | -178.3 | 170.8 | 0 | 112.3 | S21 S22 D23 E25 Q122 T149 | S21-K151 PolarHBondContact O-NZ 2.98Å; S22-K151 WeakPolarHBondContact O-CD 3.49Å; D23-K151 PolarHBondContact O-N 2.98Å; E25-K151 WeakPolarHBondContact OE2-CE 3.4Å; E25-K151 IonicContact OE2-NZ 2.88Å; E25-K151 PolarHBondContact OE2-NZ 3.39Å; Q122-K151 PolarHBondContact NE2-O 2.87Å; Q122-K151 VanDerWaalsContact NE2-O 3.1Å; T149-K151 HydrophobicContact CG2-CG 4.32Å | ||
| 152 | Q | 77.3 | Confident | 83.6 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 53% | 0.533 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -141 | 141.4 | 177 | -72.1 | 179.6 | -10.1 | 0 | 0 | 109.2 | D23 V150 | D23-Q152 HydrophobicContact CB-CB 4.18Å; V150-Q152 VanDerWaalsContact CG1-O 3.29Å; V150-Q152 WeakPolarHBondContact CG1-O 3.5Å |
| 153 | E | 63.1 | Low | 83.1 | Confident | 114 Ų | 114 | 56.2 Ų | 56.2 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | trans | -69.2 | 142.7 | 173.4 | -58.6 | -166.3 | 151.8 | 0 | 0 | 110 | Q122 L155 | Q122-E153 HydrophobicContact CB-CG 3.79Å; Q122-E153 PolarHBondContact N-OE1 2.85Å; E153-L155 PolarHBondContact O-N 3.26Å | ||
| 154 | A | 59.6 | Low | 82.4 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | trans | -68 | 104.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 155 | L | 50.7 | Low | 81.5 | Confident | 222 Ų | 222 | 65.5 Ų | 65.5 | 100% | 1.162 | 35% | 0.346 | S | S | * | . | trans | -60.9 | 0 | 170.8 | -84.9 | 157.9 | 0 | 0 | 0 | 111.6 | E153 | E153-L155 PolarHBondContact O-N 3.26Š|
Retrieved 155 of 155 residues in 40.1 ms
(Link to these results)