| 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 | 35.2 | Very low | 38.2 | Very low | 235 Ų | 235 | 149.3 Ų | 149.3 | 100% | 1.158 | 81% | 0.809 | S | S | * | * | 0 | 126.7 | 0 | 38 | -85.3 | -176.3 | 0 | 0 | 109.1 | |||||
| 2 | T | 37.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -66 | 139.4 | -179.3 | 29.1 | 0 | 0 | 0 | 0 | 111.8 | K4 | T2-K4 PolarHBondContact O-N 2.97Š| ||
| 3 | L | 35.4 | Very low | 41.8 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -62.4 | 104.3 | 174.7 | -69.1 | 171.6 | 0 | 0 | 0 | 109.3 | H5 | L3-H5 PolarHBondContact O-N 3.11Å; L3-H5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | K | 30.7 | Very low | 44.8 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -74.9 | 95.4 | 170.1 | -66.2 | -176.4 | 179.6 | -175.6 | 0 | 107.9 | T2 | T2-K4 PolarHBondContact O-N 2.97Š| ||
| 5 | H | 37 | Very low | 47.8 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | -72.1 | 129.4 | 159.9 | -68.5 | 84.7 | 0 | 0 | 0 | 107.7 | L3 V7 | L3-H5 PolarHBondContact O-N 3.11Å; L3-H5 VanDerWaalsContact O-N 3.12Å; H5-V7 VanDerWaalsContact C-N 3.27Å; H5-V7 PolarHBondContact O-N 3.39Å | ||
| 6 | P | 36.8 | Very low | 50.6 | Low | 129 Ų | 129 | 124.3 Ų | 124.3 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | trans | -72.2 | 84.8 | 172.4 | 29.7 | -31.8 | 0 | 0 | 0 | 108.9 | G8 | P6-G8 PolarHBondContact O-N 2.91Š| ||
| 7 | V | 39.7 | Very low | 53.2 | Low | 119 Ų | 119 | 124.4 Ų | 124.4 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | trans | -81.5 | 92.6 | 165.4 | -178.3 | 0 | 0 | 0 | 0 | 107 | H5 R9 | H5-V7 VanDerWaalsContact C-N 3.27Å; H5-V7 PolarHBondContact O-N 3.39Å; V7-R9 PolarHBondContact O-N 3.32Å | ||
| 8 | G | 35.7 | Very low | 55.6 | Low | 66 Ų | 66 | 117.5 Ų | 117.5 | 68% | 0.68 | 64% | 0.635 | S | S | * | * | trans | -58.6 | 103.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P6 | P6-G8 PolarHBondContact O-N 2.91Š| ||
| 9 | R | 39.1 | Very low | 57.6 | Low | 242 Ų | 242 | 114.6 Ų | 114.6 | 91% | 0.913 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 32.2 | 124.4 | 142.8 | -150.1 | 171.4 | -166.1 | 157.7 | 1.7 | 117.5 | V7 | V7-R9 PolarHBondContact O-N 3.32Š|
| 10 | S | 44.8 | Very low | 59.6 | Low | 99 Ų | 99 | 112.2 Ų | 112.2 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 88.4 | 111.2 | -169.8 | -169.4 | 0 | 0 | 0 | 0 | 110.2 | A12 | S10-A12 PolarHBondContact O-N 3.1Š|
| 11 | V | 48.7 | Very low | 61.4 | Low | 126 Ų | 126 | 109 Ų | 109 | 76% | 0.764 | 60% | 0.596 | S | S | * | * | trans | -46.2 | 113.1 | 161.6 | 174.7 | 0 | 0 | 0 | 0 | 105.1 | E13 | V11-E13 PolarHBondContact O-N 3.24Š| ||
| 12 | A | 56.2 | Low | 64.2 | Low | 55 Ų | 55 | 101.9 Ų | 101.9 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | trans | -56.3 | 103.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 103.9 | S10 M14 | S10-A12 PolarHBondContact O-N 3.1Å; A12-M14 PolarHBondContact O-N 3.35Å | ||
| 13 | E | 66.6 | Low | 67 | Low | 121 Ų | 121 | 100.1 Ų | 100.1 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | trans | -64.7 | 108.7 | -168.6 | -173.3 | 147.3 | -162.1 | 0 | 0 | 105.3 | V11 S15 G76 | V11-E13 PolarHBondContact O-N 3.24Å; E13-S15 WeakPolarHBondContact CG-OG 3.32Å; E13-S15 PolarHBondContact O-N 2.63Å; E13-S15 PolarHBondContact OE1-OG 2.79Å; E13-G76 PolarHBondContact O-N 3.02Å | ||
| 14 | M | 84.4 | Confident | 69.7 | Low | 115 Ų | 115 | 96.6 Ų | 96.6 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -71 | 23.3 | -179.6 | -64.1 | -65.8 | -66.1 | 0 | 0 | 110.9 | A12 P26 M89 | A12-M14 PolarHBondContact O-N 3.35Å; M14-P26 WeakPolarHBondContact O-CA 3.33Å; M14-M89 HydrophobicContact CE-CE 3.41Å; M14-M89 VanDerWaalsContact CE-CE 3.41Å; M14-M89 HydrophobicContact CE-SD 4.38Å; M14-M89 HydrophobicContact SD-CE 4.12Å |
| 15 | S | 89.8 | Confident | 72.8 | Confident | 34 Ų | 34 | 89.9 Ų | 89.9 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | trans | -133.3 | 159.1 | -175.9 | 29.3 | 0 | 0 | 0 | 0 | 110.3 | E13 F25 | E13-S15 WeakPolarHBondContact CG-OG 3.32Å; E13-S15 PolarHBondContact O-N 2.63Å; E13-S15 PolarHBondContact OE1-OG 2.79Å; S15-F25 CarbonylContact C-O 3.57Å; S15-F25 WeakPolarHBondContact CA-O 3.3Å; S15-F25 WeakPolarHBondContact CB-O 3.33Å | ||
| 16 | L | 92 | Very high | 75.4 | Confident | 22 Ų | 22 | 87.3 Ų | 87.3 | 12% | 0.115 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142 | 176.9 | -63 | 167.3 | 0 | 0 | 0 | 107.4 | T24 F25 L28 R73 G75 | L16-T24 CarbonylContact O-C 3.45Å; L16-T24 WeakPolarHBondContact O-CA 3.35Å; L16-F25 PolarHBondContact N-O 2.9Å; L16-F25 PolarHBondContact O-N 3.37Å; L16-L28 HydrophobicContact CB-CD1 3.53Å; L16-L28 HydrophobicContact CB-CG 3.74Å; L16-L28 HydrophobicContact CD1-CB 4.21Å; L16-L28 HydrophobicContact CD1-CD1 4.19Å; L16-L28 HydrophobicContact CD1-CG 3.98Å; L16-L28 HydrophobicContact CG-CD1 4.49Å; L16-R73 HydrophobicContact CD1-CB 4.03Å; L16-R73 HydrophobicContact CD1-CG 3.81Å; L16-R73 WeakPolarHBondContact CD1-O 3.33Å; L16-G75 VanDerWaalsContact CG-CA 3.48Å |
| 17 | E | 94.3 | Very high | 78 | Confident | 126 Ų | 126 | 86 Ų | 86 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 134.6 | 174 | -170.5 | -177.4 | 87.7 | 0 | 0 | 110.7 | D23 L28 | E17-D23 WeakPolarHBondContact CA-O 3.41Å; E17-L28 WeakPolarHBondContact O-CD1 3.47Å |
| 18 | C | 96.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 45% | 0.454 | C | S | . | . | trans | -84.4 | 121.6 | 169.7 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | I20 C22 D23 F25 L28 C38 | C18-I20 PolarHBondContact O-N 2.74Å; C18-C22 WeakPolarHBondContact O-CA 3.45Å; C18-C22 PolarHBondContact O-N 3.29Å; C18-D23 PolarHBondContact N-O 3.4Å; C18-F25 HydrophobicContact CB-CD2 4.22Å; C18-F25 HydrophobicContact CB-CE2 4.03Å; C18-L28 HydrophobicContact CB-CD2 4.24Å; C18-C38 HydrophobicContact CB-CB 4Å; C18-C38 PolarHBondContact SG-N 2.81Å | ||
| 19 | S | 94.8 | Very high | 83.5 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 1.5 | -179.8 | 56.8 | 0 | 0 | 0 | 0 | 115.8 | F37 | S19-F37 VanDerWaalsContact OG-CE1 3.26Å; S19-F37 WeakPolarHBondContact OG-CE1 3.5Å |
| 20 | I | 96.8 | Very high | 86.2 | Confident | 66 Ų | 66 | 68.3 Ų | 68.3 | 34% | 0.338 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -52.4 | 175.4 | -61.8 | 166.3 | 0 | 0 | 0 | 110.7 | C18 F37 C41 I45 P54 | C18-I20 PolarHBondContact O-N 2.74Å; I20-F37 HydrophobicContact CD1-CB 4.14Å; I20-F37 HydrophobicContact CD1-CD1 3.42Å; I20-F37 VanDerWaalsContact CD1-CD1 3.42Å; I20-F37 HydrophobicContact CD1-CE1 3.98Å; I20-F37 HydrophobicContact CD1-CG 3.89Å; I20-F37 HydrophobicContact CG1-CD1 3.65Å; I20-F37 HydrophobicContact CG1-CE1 3.98Å; I20-C41 HydrophobicContact CB-CB 4.12Å; I20-C41 HydrophobicContact CD1-CB 3.72Å; I20-C41 HydrophobicContact CG2-CB 4.07Å; I20-I45 HydrophobicContact CD1-CD1 4.48Å; I20-P54 HydrophobicContact CD1-CG 4.01Å; I20-P54 HydrophobicContact CG1-CG 4.43Å |
| 21 | C | 97.2 | Very high | 88.7 | Confident | 45 Ų | 45 | 63.9 Ų | 63.9 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -8.9 | -178.3 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | D23 | C21-D23 PolarHBondContact O-N 3.09Å; C21-D23 PolarHBondContact SG-OD2 3.44Å; C21-D23 VanDerWaalsContact SG-OD2 3.41Å |
| 22 | C | 94.9 | Very high | 90.9 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | trans | 61.2 | 16.5 | -175.9 | -52.8 | 0 | 0 | 0 | 0 | 114.8 | C18 | C18-C22 WeakPolarHBondContact O-CA 3.45Å; C18-C22 PolarHBondContact O-N 3.29Å | ||
| 23 | D | 95.6 | Very high | 92.8 | Very high | 93 Ų | 93 | 60.9 Ų | 60.9 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | trans | -88.1 | 157.5 | 173 | -64.5 | -47.7 | 0 | 0 | 0 | 111.9 | E17 C18 C21 F25 | E17-D23 WeakPolarHBondContact CA-O 3.41Å; C18-D23 PolarHBondContact N-O 3.4Å; C21-D23 PolarHBondContact O-N 3.09Å; C21-D23 PolarHBondContact SG-OD2 3.44Å; C21-D23 VanDerWaalsContact SG-OD2 3.41Å; D23-F25 HydrophobicContact CB-CD2 4.47Å; D23-F25 HydrophobicContact CB-CE2 3.6Å; D23-F25 HydrophobicContact CB-CZ 3.9Å; D23-F25 WeakPolarHBondContact O-CD2 3.42Å | ||
| 24 | T | 93.5 | Very high | 94.1 | Very high | 79 Ų | 79 | 63 Ų | 63 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.7 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | L16 | L16-T24 CarbonylContact O-C 3.45Å; L16-T24 WeakPolarHBondContact O-CA 3.35Å |
| 25 | F | 94.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.6 | -178.2 | -61.8 | -90.3 | 0 | 0 | 0 | 111.3 | S15 L16 C18 D23 K27 L28 C38 | S15-F25 CarbonylContact C-O 3.57Å; S15-F25 WeakPolarHBondContact CA-O 3.3Å; S15-F25 WeakPolarHBondContact CB-O 3.33Å; L16-F25 PolarHBondContact N-O 2.9Å; L16-F25 PolarHBondContact O-N 3.37Å; C18-F25 HydrophobicContact CB-CD2 4.22Å; C18-F25 HydrophobicContact CB-CE2 4.03Å; D23-F25 HydrophobicContact CB-CD2 4.47Å; D23-F25 HydrophobicContact CB-CE2 3.6Å; D23-F25 HydrophobicContact CB-CZ 3.9Å; D23-F25 WeakPolarHBondContact O-CD2 3.42Å; F25-K27 PolarHBondContact O-N 3.23Å; F25-L28 HydrophobicContact CB-CD2 3.79Å; F25-L28 HydrophobicContact CD2-CD2 3.76Å; F25-L28 HydrophobicContact CG-CD2 4.04Å; F25-C38 HydrophobicContact CD1-CB 4.26Å; F25-C38 HydrophobicContact CD2-CB 3.57Å; F25-C38 HydrophobicContact CE1-CB 4.06Å; F25-C38 HydrophobicContact CE2-CB 3.3Å; F25-C38 HydrophobicContact CG-CB 4.04Å; F25-C38 HydrophobicContact CZ-CB 3.58Å |
| 26 | P | 91.3 | Very high | 94.9 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 60% | 0.597 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -64.3 | -23.9 | 177.1 | 26.7 | -35.2 | 0 | 0 | 0 | 113.1 | M14 G75 | M14-P26 WeakPolarHBondContact O-CA 3.33Å; P26-G75 PolarHBondContact O-N 3.46Å |
| 27 | K | 91.9 | Very high | 95.2 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144.4 | 175.8 | 65.2 | -174.7 | 179.8 | -176.4 | 0 | 111.3 | F25 R73 F74 | F25-K27 PolarHBondContact O-N 3.23Å; K27-R73 CarbonylContact C-O 3.46Å; K27-R73 WeakPolarHBondContact CA-O 3.06Å; K27-F74 HydrophobicContact CB-CD1 3.78Å; K27-F74 HydrophobicContact CB-CE1 4.01Å; K27-F74 HydrophobicContact CB-CG 4.49Å; K27-F74 HydrophobicContact CD-CD1 4.46Å; K27-F74 HydrophobicContact CD-CE1 3.86Å |
| 28 | L | 95.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 158.5 | 171.4 | -59.8 | -178.9 | 0 | 0 | 0 | 109.6 | L16 E17 C18 F25 A36 F37 C38 S72 R73 | L16-L28 HydrophobicContact CB-CD1 3.53Å; L16-L28 HydrophobicContact CB-CG 3.74Å; L16-L28 HydrophobicContact CD1-CB 4.21Å; L16-L28 HydrophobicContact CD1-CD1 4.19Å; L16-L28 HydrophobicContact CD1-CG 3.98Å; L16-L28 HydrophobicContact CG-CD1 4.49Å; E17-L28 WeakPolarHBondContact O-CD1 3.47Å; C18-L28 HydrophobicContact CB-CD2 4.24Å; F25-L28 HydrophobicContact CB-CD2 3.79Å; F25-L28 HydrophobicContact CD2-CD2 3.76Å; F25-L28 HydrophobicContact CG-CD2 4.04Å; L28-A36 HydrophobicContact CB-CB 3.82Å; L28-A36 HydrophobicContact CD1-CB 4.43Å; L28-F37 CarbonylContact C-O 3.6Å; L28-F37 WeakPolarHBondContact CA-O 3.3Å; L28-F37 WeakPolarHBondContact CB-O 3.43Å; L28-C38 HydrophobicContact CD2-CB 3.84Å; L28-S72 CarbonylContact O-C 3.52Å; L28-S72 VanDerWaalsContact O-CA 3.3Å; L28-S72 WeakPolarHBondContact O-CA 3.39Å; L28-R73 PolarHBondContact N-O 3Å; L28-R73 PolarHBondContact O-N 3.48Å |
| 29 | K | 96.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 55 Ų | 55 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.9 | 176.1 | -70.3 | -54.2 | -158.7 | 172.4 | 0 | 110.1 | A36 F37 P39 L42 V67 K68 L70 S72 | K29-A36 WeakPolarHBondContact O-CA 3.37Å; K29-F37 PolarHBondContact N-O 2.92Å; K29-F37 PolarHBondContact O-N 3.42Å; K29-P39 HydrophobicContact CG-CG 4.17Å; K29-L42 HydrophobicContact CB-CD1 3.5Å; K29-L42 HydrophobicContact CG-CD1 4.48Å; K29-V67 WeakPolarHBondContact CE-O 3.5Å; K29-V67 HydrophobicContact CG-CG1 4.09Å; K29-K68 WeakPolarHBondContact CE-O 3.37Å; K29-K68 PolarHBondContact NZ-O 3.32Å; K29-L70 HydrophobicContact CB-CB 4.05Å; K29-L70 HydrophobicContact CB-CD1 4.17Å; K29-L70 HydrophobicContact CD-CB 4.05Å; K29-L70 WeakPolarHBondContact CD-O 3.42Å; K29-L70 HydrophobicContact CG-CB 4.37Å; K29-L70 PolarHBondContact NZ-O 3.3Å; K29-S72 PolarHBondContact NZ-OG 3.09Å; K29-S72 VanDerWaalsContact NZ-OG 3.09Å |
| 30 | T | 95.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127 | -174.8 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | H35 V71 R73 | T30-H35 WeakPolarHBondContact CA-O 3.43Å; T30-V71 WeakPolarHBondContact CB-O 3.15Å; T30-V71 PolarHBondContact N-O 2.9Å; T30-V71 PolarHBondContact OG1-O 3.06Å; T30-R73 WeakPolarHBondContact OG1-CB 3.37Å |
| 31 | L | 96.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 168.3 | 173 | -62.8 | -174.2 | 0 | 0 | 0 | 111.3 | C33 Q34 H35 F37 L42 I51 C53 T60 L70 | L31-C33 PolarHBondContact O-N 2.72Å; L31-C33 VanDerWaalsContact O-N 3.12Å; L31-Q34 PolarHBondContact O-N 3.16Å; L31-H35 PolarHBondContact N-O 2.78Å; L31-F37 HydrophobicContact CD1-CD2 4.18Å; L31-F37 HydrophobicContact CD1-CE2 3.84Å; L31-F37 HydrophobicContact CG-CD2 4.4Å; L31-F37 HydrophobicContact CG-CE2 4.41Å; L31-L42 HydrophobicContact CD2-CD1 4.21Å; L31-L42 HydrophobicContact CD2-CD2 4.24Å; L31-I51 HydrophobicContact CD1-CG2 3.97Å; L31-I51 HydrophobicContact CD2-CB 4.37Å; L31-I51 HydrophobicContact CD2-CD1 4.43Å; L31-I51 HydrophobicContact CD2-CG2 3.96Å; L31-C53 HydrophobicContact CD1-CB 3.79Å; L31-T60 WeakPolarHBondContact CB-OG1 3.45Å; L31-T60 HydrophobicContact CD2-CG2 4.24Å; L31-L70 HydrophobicContact CD2-CD1 3.97Å |
| 32 | T | 94.8 | Very high | 95.6 | Very high | 102 Ų | 102 | 49.7 Ų | 49.7 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.4 | 176.1 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | Q34 T60 | T32-Q34 PolarHBondContact O-N 3.22Å; T32-T60 HydrophobicContact CG2-CG2 3.9Å; T32-T60 PolarHBondContact N-OG1 3.32Å; T32-T60 VanDerWaalsContact N-OG1 3.12Å; T32-T60 PolarHBondContact OG1-OG1 3.15Å |
| 33 | C | 96.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 6.7 | 173.8 | 68 | 0 | 0 | 0 | 0 | 114.8 | L31 H35 C56 Q58 | L31-C33 PolarHBondContact O-N 2.72Å; L31-C33 VanDerWaalsContact O-N 3.12Å; C33-H35 PolarHBondContact O-N 3.26Å; C33-H35 VanDerWaalsContact O-N 3.15Å; C33-H35 PolarHBondContact SG-ND1 2.96Å; C33-C56 VanDerWaalsContact CB-SG 3.53Å; C33-C56 VanDerWaalsContact SG-SG 3.61Å; C33-Q58 HydrophobicContact CB-CB 3.92Å; C33-Q58 HydrophobicContact CB-CG 4.43Å |
| 34 | Q | 93.4 | Very high | 95.7 | Very high | 165 Ų | 165 | 53.2 Ų | 53.2 | 77% | 0.771 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 67.8 | 0 | -179.2 | -53.5 | 179 | -4.6 | 0 | 0 | 116.6 | L31 T32 | L31-Q34 PolarHBondContact O-N 3.16Å; T32-Q34 PolarHBondContact O-N 3.22Å |
| 35 | H | 96.4 | Very high | 95.8 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | trans | -76 | 145.5 | 167.7 | -61.7 | 106.1 | 0 | 0 | 0 | 111.1 | T30 L31 C33 F37 L55 | T30-H35 WeakPolarHBondContact CA-O 3.43Å; L31-H35 PolarHBondContact N-O 2.78Å; C33-H35 PolarHBondContact O-N 3.26Å; C33-H35 VanDerWaalsContact O-N 3.15Å; C33-H35 PolarHBondContact SG-ND1 2.96Å; H35-F37 HydrophobicContact CB-CE2 3.8Å; H35-F37 HydrophobicContact CB-CZ 4.05Å; H35-L55 HydrophobicContact CB-CD1 4.14Å; H35-L55 VanDerWaalsContact CD2-CD1 3.43Å; H35-L55 WeakPolarHBondContact CD2-CD1 3.26Å | ||
| 36 | A | 95.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L28 K29 R73 | L28-A36 HydrophobicContact CB-CB 3.82Å; L28-A36 HydrophobicContact CD1-CB 4.43Å; K29-A36 WeakPolarHBondContact O-CA 3.37Å; A36-R73 HydrophobicContact CB-CB 4.24Å |
| 37 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 164.7 | -177.4 | -51.7 | -87.6 | 0 | 0 | 0 | 110.8 | S19 I20 L28 K29 L31 H35 L42 P54 L55 | S19-F37 VanDerWaalsContact OG-CE1 3.26Å; S19-F37 WeakPolarHBondContact OG-CE1 3.5Å; I20-F37 HydrophobicContact CD1-CB 4.14Å; I20-F37 HydrophobicContact CD1-CD1 3.42Å; I20-F37 VanDerWaalsContact CD1-CD1 3.42Å; I20-F37 HydrophobicContact CD1-CE1 3.98Å; I20-F37 HydrophobicContact CD1-CG 3.89Å; I20-F37 HydrophobicContact CG1-CD1 3.65Å; I20-F37 HydrophobicContact CG1-CE1 3.98Å; L28-F37 CarbonylContact C-O 3.6Å; L28-F37 WeakPolarHBondContact CA-O 3.3Å; L28-F37 WeakPolarHBondContact CB-O 3.43Å; K29-F37 PolarHBondContact N-O 2.92Å; K29-F37 PolarHBondContact O-N 3.42Å; L31-F37 HydrophobicContact CD1-CD2 4.18Å; L31-F37 HydrophobicContact CD1-CE2 3.84Å; L31-F37 HydrophobicContact CG-CD2 4.4Å; L31-F37 HydrophobicContact CG-CE2 4.41Å; H35-F37 HydrophobicContact CB-CE2 3.8Å; H35-F37 HydrophobicContact CB-CZ 4.05Å; F37-L42 HydrophobicContact CB-CD2 3.75Å; F37-L42 HydrophobicContact CB-CG 3.91Å; F37-L42 HydrophobicContact CD2-CD2 3.78Å; F37-L42 HydrophobicContact CG-CD2 4.07Å; F37-P54 HydrophobicContact CE1-CG 4.43Å; F37-P54 HydrophobicContact CZ-CG 4.33Å; F37-L55 HydrophobicContact CE1-CD1 4.09Å; F37-L55 HydrophobicContact CE1-CG 4.23Å; F37-L55 HydrophobicContact CZ-CD1 3.77Å; F37-L55 HydrophobicContact CZ-CG 3.9Å |
| 38 | C | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | trans | -71.1 | 152.3 | -179.7 | 76.3 | 0 | 0 | 0 | 0 | 110.4 | C18 F25 L28 A40 C41 L42 | C18-C38 HydrophobicContact CB-CB 4Å; C18-C38 PolarHBondContact SG-N 2.81Å; F25-C38 HydrophobicContact CD1-CB 4.26Å; F25-C38 HydrophobicContact CD2-CB 3.57Å; F25-C38 HydrophobicContact CE1-CB 4.06Å; F25-C38 HydrophobicContact CE2-CB 3.3Å; F25-C38 HydrophobicContact CG-CB 4.04Å; F25-C38 HydrophobicContact CZ-CB 3.58Å; L28-C38 HydrophobicContact CD2-CB 3.84Å; C38-A40 VanDerWaalsContact C-N 3.28Å; C38-A40 PolarHBondContact O-N 3.39Å; C38-C41 PolarHBondContact O-N 3.32Å; C38-C41 VanDerWaalsContact SG-CB 3.58Å; C38-C41 PolarHBondContact SG-N 2.8Å; C38-C41 VanDerWaalsContact SG-N 3.39Å; C38-C41 PolarHBondContact SG-SG 2.8Å; C38-L42 PolarHBondContact O-N 2.8Å; C38-L42 VanDerWaalsContact O-N 3.13Å | ||
| 39 | P | 96.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 65.1 Ų | 65.1 | 29% | 0.286 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.6 | -42.5 | -178.8 | -24.7 | 32.6 | 0 | 0 | 0 | 113.1 | K29 C41 L42 E43 V67 | K29-P39 HydrophobicContact CG-CG 4.17Å; P39-C41 PolarHBondContact O-N 3.35Å; P39-L42 PolarHBondContact O-N 3.13Å; P39-E43 WeakPolarHBondContact O-CG 3.2Å; P39-E43 PolarHBondContact O-N 2.85Å; P39-V67 HydrophobicContact CB-CG1 4.33Å |
| 40 | A | 97.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 68 Ų | 68 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C38 L42 E43 Q44 | C38-A40 VanDerWaalsContact C-N 3.28Å; C38-A40 PolarHBondContact O-N 3.39Å; A40-L42 VanDerWaalsContact C-N 3.33Å; A40-L42 PolarHBondContact O-N 3.39Å; A40-E43 PolarHBondContact O-N 2.9Å; A40-Q44 WeakPolarHBondContact O-CG 3.38Å; A40-Q44 PolarHBondContact O-N 3.3Å; A40-Q44 VanDerWaalsContact O-N 3.09Å |
| 41 | C | 98.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 66.7 Ų | 66.7 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.8 | -35.1 | 177.3 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | I20 C38 P39 Q44 I45 | I20-C41 HydrophobicContact CB-CB 4.12Å; I20-C41 HydrophobicContact CD1-CB 3.72Å; I20-C41 HydrophobicContact CG2-CB 4.07Å; C38-C41 PolarHBondContact O-N 3.32Å; C38-C41 VanDerWaalsContact SG-CB 3.58Å; C38-C41 PolarHBondContact SG-N 2.8Å; C38-C41 VanDerWaalsContact SG-N 3.39Å; C38-C41 PolarHBondContact SG-SG 2.8Å; P39-C41 PolarHBondContact O-N 3.35Å; C41-Q44 PolarHBondContact O-N 2.78Å; C41-I45 WeakPolarHBondContact O-CG1 3.44Å; C41-I45 PolarHBondContact O-N 2.91Å |
| 42 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 175.1 | -71.6 | -170.3 | 0 | 0 | 0 | 112.3 | K29 L31 F37 C38 P39 A40 Q44 I45 E46 I51 V67 L70 | K29-L42 HydrophobicContact CB-CD1 3.5Å; K29-L42 HydrophobicContact CG-CD1 4.48Å; L31-L42 HydrophobicContact CD2-CD1 4.21Å; L31-L42 HydrophobicContact CD2-CD2 4.24Å; F37-L42 HydrophobicContact CB-CD2 3.75Å; F37-L42 HydrophobicContact CB-CG 3.91Å; F37-L42 HydrophobicContact CD2-CD2 3.78Å; F37-L42 HydrophobicContact CG-CD2 4.07Å; C38-L42 PolarHBondContact O-N 2.8Å; C38-L42 VanDerWaalsContact O-N 3.13Å; P39-L42 PolarHBondContact O-N 3.13Å; A40-L42 VanDerWaalsContact C-N 3.33Å; A40-L42 PolarHBondContact O-N 3.39Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.12Å; L42-I45 HydrophobicContact CD2-CD1 4.09Å; L42-I45 WeakPolarHBondContact O-CG1 3.48Å; L42-I45 PolarHBondContact O-N 3.12Å; L42-E46 WeakPolarHBondContact O-CB 3.49Å; L42-E46 PolarHBondContact O-N 3.48Å; L42-I51 HydrophobicContact CB-CD1 4Å; L42-I51 HydrophobicContact CD2-CD1 4.26Å; L42-I51 HydrophobicContact CD2-CG2 4.19Å; L42-I51 HydrophobicContact CG-CD1 4.5Å; L42-V67 HydrophobicContact CB-CB 4.47Å; L42-V67 HydrophobicContact CB-CG1 3.72Å; L42-V67 HydrophobicContact CB-CG2 3.81Å; L42-V67 HydrophobicContact CD1-CG1 4.02Å; L42-L70 HydrophobicContact CD1-CD1 3.76Å |
| 43 | E | 96.6 | Very high | 96.4 | Very high | 99 Ų | 99 | 68.3 Ų | 68.3 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 176.2 | -73.6 | 173 | 179.2 | 0 | 0 | 111.6 | P39 A40 V67 | P39-E43 WeakPolarHBondContact O-CG 3.2Å; P39-E43 PolarHBondContact O-N 2.85Å; A40-E43 PolarHBondContact O-N 2.9Å; E43-V67 HydrophobicContact CG-CB 4.02Å; E43-V67 HydrophobicContact CG-CG1 4.33Å; E43-V67 HydrophobicContact CG-CG2 3.96Å |
| 44 | Q | 96.9 | Very high | 96.4 | Very high | 154 Ų | 154 | 71 Ų | 71 | 72% | 0.72 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.2 | -33.3 | 176.8 | -75.3 | 173.9 | -21.2 | 0 | 0 | 114 | A40 C41 L42 | A40-Q44 WeakPolarHBondContact O-CG 3.38Å; A40-Q44 PolarHBondContact O-N 3.3Å; A40-Q44 VanDerWaalsContact O-N 3.09Å; C41-Q44 PolarHBondContact O-N 2.78Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.12Å |
| 45 | I | 96.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 68 Ų | 68 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -98.6 | -4 | -178.7 | 69 | 177.1 | 0 | 0 | 0 | 112.9 | I20 C41 L42 F47 I51 P54 | I20-I45 HydrophobicContact CD1-CD1 4.48Å; C41-I45 WeakPolarHBondContact O-CG1 3.44Å; C41-I45 PolarHBondContact O-N 2.91Å; L42-I45 HydrophobicContact CD2-CD1 4.09Å; L42-I45 WeakPolarHBondContact O-CG1 3.48Å; L42-I45 PolarHBondContact O-N 3.12Å; I45-F47 PolarHBondContact O-N 3.07Å; I45-I51 HydrophobicContact CD1-CG2 3.88Å; I45-I51 HydrophobicContact CG1-CG2 4.12Å; I45-P54 HydrophobicContact CD1-CG 3.86Å |
| 46 | E | 95.4 | Very high | 96.7 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | trans | -64 | 126.3 | 173.4 | -177.2 | -174.6 | 159.3 | 0 | 0 | 109.9 | L42 I51 L62 | L42-E46 WeakPolarHBondContact O-CB 3.49Å; L42-E46 PolarHBondContact O-N 3.48Å; E46-I51 HydrophobicContact CB-CD1 4.36Å; E46-I51 HydrophobicContact CB-CG1 4.05Å; E46-I51 HydrophobicContact CG-CG1 4.32Å; E46-L62 HydrophobicContact CG-CD1 3.63Å; E46-L62 VanDerWaalsContact OE2-CD1 3.32Å; E46-L62 WeakPolarHBondContact OE2-CD1 3.42Å | ||
| 47 | F | 95.5 | Very high | 96.7 | Very high | 170 Ų | 170 | 76.6 Ų | 76.6 | 75% | 0.746 | 37% | 0.37 | S | S | * | . | B | Isolated β-bridge | trans | -136.1 | 123.4 | 173.4 | -175.2 | -102.4 | 0 | 0 | 0 | 110.3 | I45 R49 K50 | I45-F47 PolarHBondContact O-N 3.07Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 3.41Å; F47-K50 PolarHBondContact N-O 3.45Å; F47-K50 WeakPolarHBondContact O-CB 3.44Å; F47-K50 PolarHBondContact O-N 3.41Å; F47-K50 VanDerWaalsContact O-O 3.13Å |
| 48 | N | 94.5 | Very high | 96.7 | Very high | 131 Ų | 131 | 82 Ų | 82 | 70% | 0.701 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 46.6 | 179.3 | -161.4 | 35.7 | 0 | 0 | 0 | 113.4 | K50 | N48-K50 PolarHBondContact O-N 3.22Š|
| 49 | R | 94.3 | Very high | 96.7 | Very high | 154 Ų | 154 | 85.8 Ų | 85.8 | 58% | 0.581 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 28.2 | -175.7 | -56.3 | -177.5 | -179.8 | 175.7 | -0.4 | 114 | F47 L62 | F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 3.41Å; R49-L62 HydrophobicContact CB-CB 4.35Å; R49-L62 PolarHBondContact O-N 2.89Å |
| 50 | K | 96.5 | Very high | 96.7 | Very high | 83 Ų | 83 | 83.8 Ų | 83.8 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.3 | 178.5 | -68 | 168.5 | 167.5 | -135.8 | 0 | 109.5 | F47 N48 E59 T60 T61 | F47-K50 PolarHBondContact N-O 3.45Å; F47-K50 WeakPolarHBondContact O-CB 3.44Å; F47-K50 PolarHBondContact O-N 3.41Å; F47-K50 VanDerWaalsContact O-O 3.13Å; N48-K50 PolarHBondContact O-N 3.22Å; K50-E59 HydrophobicContact CB-CG 4.17Å; K50-E59 VanDerWaalsContact CD-OE1 3.3Å; K50-E59 WeakPolarHBondContact CD-OE1 3.48Å; K50-E59 WeakPolarHBondContact CE-OE1 3.42Å; K50-E59 HydrophobicContact CG-CG 4.43Å; K50-E59 IonicContact NZ-OE1 2.74Å; K50-E59 PolarHBondContact NZ-OE1 2.79Å; K50-T60 WeakPolarHBondContact CA-O 3.41Å; K50-T61 HydrophobicContact CG-CG2 4.2Å |
| 51 | I | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.3 | 173.8 | -68.3 | 174.1 | 0 | 0 | 0 | 107.7 | L31 L42 I45 E46 E59 T60 L62 V67 | L31-I51 HydrophobicContact CD1-CG2 3.97Å; L31-I51 HydrophobicContact CD2-CB 4.37Å; L31-I51 HydrophobicContact CD2-CD1 4.43Å; L31-I51 HydrophobicContact CD2-CG2 3.96Å; L42-I51 HydrophobicContact CB-CD1 4Å; L42-I51 HydrophobicContact CD2-CD1 4.26Å; L42-I51 HydrophobicContact CD2-CG2 4.19Å; L42-I51 HydrophobicContact CG-CD1 4.5Å; I45-I51 HydrophobicContact CD1-CG2 3.88Å; I45-I51 HydrophobicContact CG1-CG2 4.12Å; E46-I51 HydrophobicContact CB-CD1 4.36Å; E46-I51 HydrophobicContact CB-CG1 4.05Å; E46-I51 HydrophobicContact CG-CG1 4.32Å; I51-E59 CarbonylContact O-C 3.56Å; I51-E59 WeakPolarHBondContact O-CA 3.42Å; I51-T60 PolarHBondContact N-O 3.01Å; I51-T60 PolarHBondContact O-N 3.18Å; I51-L62 HydrophobicContact CD1-CD1 3.87Å; I51-L62 HydrophobicContact CD1-CD2 4.18Å; I51-L62 HydrophobicContact CD1-CG 4.38Å; I51-L62 HydrophobicContact CG1-CD1 4.15Å; I51-V67 HydrophobicContact CD1-CG2 3.8Å |
| 52 | K | 97.5 | Very high | 96.6 | Very high | 141 Ų | 141 | 86.3 Ų | 86.3 | 61% | 0.613 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.8 | 168.1 | -70.9 | -177.3 | -180 | 177 | 0 | 108.7 | P54 E59 | K52-P54 WeakPolarHBondContact O-CD 3.15Å; K52-E59 WeakPolarHBondContact CE-OE2 3.18Å; K52-E59 HydrophobicContact CG-CG 4.48Å |
| 53 | C | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 89.6 Ų | 89.6 | 1% | 0.014 | 43% | 0.426 | C | S | . | . | trans | -60 | 124.3 | -179.1 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | L31 L55 R57 Q58 | L31-C53 HydrophobicContact CD1-CB 3.79Å; C53-L55 PolarHBondContact O-N 2.82Å; C53-L55 PolarHBondContact SG-N 3.05Å; C53-R57 WeakPolarHBondContact O-CA 3.36Å; C53-R57 PolarHBondContact O-N 3.01Å; C53-Q58 WeakPolarHBondContact CB-O 3.19Å; C53-Q58 PolarHBondContact N-O 2.76Å | ||
| 54 | P | 96.2 | Very high | 96.2 | Very high | 72 Ų | 72 | 88.8 Ų | 88.8 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.4 | 177.4 | -26.8 | 36.6 | 0 | 0 | 0 | 114.2 | I20 F37 I45 K52 | I20-P54 HydrophobicContact CD1-CG 4.01Å; I20-P54 HydrophobicContact CG1-CG 4.43Å; F37-P54 HydrophobicContact CE1-CG 4.43Å; F37-P54 HydrophobicContact CZ-CG 4.33Å; I45-P54 HydrophobicContact CD1-CG 3.86Å; K52-P54 WeakPolarHBondContact O-CD 3.15Å |
| 55 | L | 96.7 | Very high | 96 | Very high | 101 Ų | 101 | 88.7 Ų | 88.7 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -47 | -176.4 | -61 | 173.4 | 0 | 0 | 0 | 112.8 | H35 F37 C53 | H35-L55 HydrophobicContact CB-CD1 4.14Å; H35-L55 VanDerWaalsContact CD2-CD1 3.43Å; H35-L55 WeakPolarHBondContact CD2-CD1 3.26Å; F37-L55 HydrophobicContact CE1-CD1 4.09Å; F37-L55 HydrophobicContact CE1-CG 4.23Å; F37-L55 HydrophobicContact CZ-CD1 3.77Å; F37-L55 HydrophobicContact CZ-CG 3.9Å; C53-L55 PolarHBondContact O-N 2.82Å; C53-L55 PolarHBondContact SG-N 3.05Å |
| 56 | C | 97.4 | Very high | 95.9 | Very high | 49 Ų | 49 | 86.2 Ų | 86.2 | 33% | 0.331 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -1.8 | -173.9 | 71 | 0 | 0 | 0 | 0 | 114.9 | C33 Q58 | C33-C56 VanDerWaalsContact CB-SG 3.53Å; C33-C56 VanDerWaalsContact SG-SG 3.61Å; C56-Q58 PolarHBondContact O-N 2.84Å |
| 57 | R | 96.1 | Very high | 95.8 | Very high | 215 Ų | 215 | 83.3 Ų | 83.3 | 81% | 0.811 | 41% | 0.411 | S | S | * | . | trans | 62.5 | 2.1 | -179.4 | -52 | 178.1 | -178.8 | -173.4 | -0.5 | 116 | C53 | C53-R57 WeakPolarHBondContact O-CA 3.36Å; C53-R57 PolarHBondContact O-N 3.01Å | ||
| 58 | Q | 97.9 | Very high | 95.7 | Very high | 113 Ų | 113 | 82.7 Ų | 82.7 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | trans | -62 | 139 | 171.9 | -69.7 | -173.8 | -25.6 | 0 | 0 | 110.3 | C33 C53 C56 | C33-Q58 HydrophobicContact CB-CB 3.92Å; C33-Q58 HydrophobicContact CB-CG 4.43Å; C53-Q58 WeakPolarHBondContact CB-O 3.19Å; C53-Q58 PolarHBondContact N-O 2.76Å; C56-Q58 PolarHBondContact O-N 2.84Å | ||
| 59 | E | 97.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 81 Ų | 81 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.4 | -178.4 | -171 | 170.5 | 101.5 | 0 | 0 | 110.6 | K50 I51 K52 | K50-E59 HydrophobicContact CB-CG 4.17Å; K50-E59 VanDerWaalsContact CD-OE1 3.3Å; K50-E59 WeakPolarHBondContact CD-OE1 3.48Å; K50-E59 WeakPolarHBondContact CE-OE1 3.42Å; K50-E59 HydrophobicContact CG-CG 4.43Å; K50-E59 IonicContact NZ-OE1 2.74Å; K50-E59 PolarHBondContact NZ-OE1 2.79Å; I51-E59 CarbonylContact O-C 3.56Å; I51-E59 WeakPolarHBondContact O-CA 3.42Å; K52-E59 WeakPolarHBondContact CE-OE2 3.18Å; K52-E59 HydrophobicContact CG-CG 4.48Å |
| 60 | T | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.7 | 171.3 | -62.5 | 0 | 0 | 0 | 0 | 108.7 | L31 T32 K50 I51 L70 | L31-T60 WeakPolarHBondContact CB-OG1 3.45Å; L31-T60 HydrophobicContact CD2-CG2 4.24Å; T32-T60 HydrophobicContact CG2-CG2 3.9Å; T32-T60 PolarHBondContact N-OG1 3.32Å; T32-T60 VanDerWaalsContact N-OG1 3.12Å; T32-T60 PolarHBondContact OG1-OG1 3.15Å; K50-T60 WeakPolarHBondContact CA-O 3.41Å; I51-T60 PolarHBondContact N-O 3.01Å; I51-T60 PolarHBondContact O-N 3.18Å; T60-L70 HydrophobicContact CG2-CD2 4.07Å |
| 61 | T | 96.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 76 Ų | 76 | 60% | 0.601 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.6 | 172.3 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | K50 | K50-T61 HydrophobicContact CG-CG2 4.2Å |
| 62 | L | 95.5 | Very high | 95.2 | Very high | 17 Ų | 17 | 77.3 Ų | 77.3 | 9% | 0.089 | 40% | 0.4 | C | S | . | . | trans | -92.6 | 150.9 | 177.9 | -56.2 | 175.6 | 0 | 0 | 0 | 110.8 | E46 R49 I51 V67 L70 | E46-L62 HydrophobicContact CG-CD1 3.63Å; E46-L62 VanDerWaalsContact OE2-CD1 3.32Å; E46-L62 WeakPolarHBondContact OE2-CD1 3.42Å; R49-L62 HydrophobicContact CB-CB 4.35Å; R49-L62 PolarHBondContact O-N 2.89Å; I51-L62 HydrophobicContact CD1-CD1 3.87Å; I51-L62 HydrophobicContact CD1-CD2 4.18Å; I51-L62 HydrophobicContact CD1-CG 4.38Å; I51-L62 HydrophobicContact CG1-CD1 4.15Å; L62-V67 HydrophobicContact CD1-CG2 4.07Å; L62-L70 HydrophobicContact CD2-CD1 3.92Å; L62-L70 HydrophobicContact CD2-CD2 3.77Å; L62-L70 HydrophobicContact CD2-CG 3.89Å | ||
| 63 | N | 93.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 74.4 Ų | 74.4 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | trans | -85.7 | -170 | 171.6 | 69.1 | 10.7 | 0 | 0 | 0 | 111.2 | F65 G66 D69 | N63-F65 PolarHBondContact O-N 3.45Å; N63-F65 VanDerWaalsContact O-N 3.11Å; N63-F65 WeakPolarHBondContact OD1-CB 3.49Å; N63-F65 PolarHBondContact OD1-N 3.19Å; N63-G66 PolarHBondContact O-N 2.82Å; N63-G66 VanDerWaalsContact O-N 3.1Å; N63-D69 PolarHBondContact ND2-OD2 2.74Å | ||
| 64 | A | 92.2 | Very high | 94.4 | Very high | 81 Ų | 81 | 77.6 Ų | 77.6 | 67% | 0.669 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 65 | F | 93.3 | Very high | 94 | Very high | 153 Ų | 153 | 74.2 Ų | 74.2 | 67% | 0.671 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.2 | -179.7 | -59 | -74.3 | 0 | 0 | 0 | 113.2 | N63 D69 | N63-F65 PolarHBondContact O-N 3.45Å; N63-F65 VanDerWaalsContact O-N 3.11Å; N63-F65 WeakPolarHBondContact OD1-CB 3.49Å; N63-F65 PolarHBondContact OD1-N 3.19Å; F65-D69 HydrophobicContact CB-CB 3.75Å |
| 66 | G | 93.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 13% | 0.134 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | 65.1 | -147.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N63 K68 D69 | N63-G66 PolarHBondContact O-N 2.82Å; N63-G66 VanDerWaalsContact O-N 3.1Å; G66-K68 PolarHBondContact O-N 3.39Å; G66-K68 VanDerWaalsContact O-N 3.16Å; G66-D69 PolarHBondContact O-N 3.01Å |
| 67 | V | 95 | Very high | 92.9 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -56.9 | -29.6 | -179 | 172.3 | 0 | 0 | 0 | 0 | 113.5 | K29 P39 L42 E43 I51 L62 D69 L70 | K29-V67 WeakPolarHBondContact CE-O 3.5Å; K29-V67 HydrophobicContact CG-CG1 4.09Å; P39-V67 HydrophobicContact CB-CG1 4.33Å; L42-V67 HydrophobicContact CB-CB 4.47Å; L42-V67 HydrophobicContact CB-CG1 3.72Å; L42-V67 HydrophobicContact CB-CG2 3.81Å; L42-V67 HydrophobicContact CD1-CG1 4.02Å; E43-V67 HydrophobicContact CG-CB 4.02Å; E43-V67 HydrophobicContact CG-CG1 4.33Å; E43-V67 HydrophobicContact CG-CG2 3.96Å; I51-V67 HydrophobicContact CD1-CG2 3.8Å; L62-V67 HydrophobicContact CD1-CG2 4.07Å; V67-D69 PolarHBondContact O-N 2.85Å; V67-L70 HydrophobicContact CG1-CD1 4.44Å; V67-L70 WeakPolarHBondContact O-CB 3.43Å; V67-L70 PolarHBondContact O-N 3.41Å |
| 68 | K | 92.4 | Very high | 92.4 | Very high | 157 Ų | 157 | 61.9 Ų | 61.9 | 68% | 0.683 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -64.7 | -27.5 | -175.3 | -67.2 | 179.7 | -178.3 | 176.1 | 0 | 113.2 | K29 G66 | K29-K68 WeakPolarHBondContact CE-O 3.37Å; K29-K68 PolarHBondContact NZ-O 3.32Å; G66-K68 PolarHBondContact O-N 3.39Å; G66-K68 VanDerWaalsContact O-N 3.16Å |
| 69 | D | 94 | Very high | 91.8 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -89.3 | -6 | -178.5 | -164.3 | 68.4 | 0 | 0 | 0 | 113.8 | N63 F65 G66 V67 | N63-D69 PolarHBondContact ND2-OD2 2.74Å; F65-D69 HydrophobicContact CB-CB 3.75Å; G66-D69 PolarHBondContact O-N 3.01Å; V67-D69 PolarHBondContact O-N 2.85Å |
| 70 | L | 94.8 | Very high | 91.3 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -60.9 | 144.5 | 173 | -68.2 | 175.4 | 0 | 0 | 0 | 111.1 | K29 L31 L42 T60 L62 V67 S72 | K29-L70 HydrophobicContact CB-CB 4.05Å; K29-L70 HydrophobicContact CB-CD1 4.17Å; K29-L70 HydrophobicContact CD-CB 4.05Å; K29-L70 WeakPolarHBondContact CD-O 3.42Å; K29-L70 HydrophobicContact CG-CB 4.37Å; K29-L70 PolarHBondContact NZ-O 3.3Å; L31-L70 HydrophobicContact CD2-CD1 3.97Å; L42-L70 HydrophobicContact CD1-CD1 3.76Å; T60-L70 HydrophobicContact CG2-CD2 4.07Å; L62-L70 HydrophobicContact CD2-CD1 3.92Å; L62-L70 HydrophobicContact CD2-CD2 3.77Å; L62-L70 HydrophobicContact CD2-CG 3.89Å; V67-L70 HydrophobicContact CG1-CD1 4.44Å; V67-L70 WeakPolarHBondContact O-CB 3.43Å; V67-L70 PolarHBondContact O-N 3.41Å; L70-S72 PolarHBondContact O-N 3.12Å |
| 71 | V | 91.9 | Very high | 90.6 | Very high | 110 Ų | 110 | 62.3 Ų | 62.3 | 67% | 0.667 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 136.9 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | T30 | T30-V71 WeakPolarHBondContact CB-O 3.15Å; T30-V71 PolarHBondContact N-O 2.9Å; T30-V71 PolarHBondContact OG1-O 3.06Å |
| 72 | S | 91.3 | Very high | 90.1 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135 | -179.6 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | L28 K29 L70 | L28-S72 CarbonylContact O-C 3.52Å; L28-S72 VanDerWaalsContact O-CA 3.3Å; L28-S72 WeakPolarHBondContact O-CA 3.39Å; K29-S72 PolarHBondContact NZ-OG 3.09Å; K29-S72 VanDerWaalsContact NZ-OG 3.09Å; L70-S72 PolarHBondContact O-N 3.12Å |
| 73 | R | 90 | Very high | 89.8 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 30% | 0.302 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.3 | 163.8 | -170.2 | -178.7 | 149 | 112.1 | 5.2 | 107.6 | L16 K27 L28 T30 A36 D88 T90 | L16-R73 HydrophobicContact CD1-CB 4.03Å; L16-R73 HydrophobicContact CD1-CG 3.81Å; L16-R73 WeakPolarHBondContact CD1-O 3.33Å; K27-R73 CarbonylContact C-O 3.46Å; K27-R73 WeakPolarHBondContact CA-O 3.06Å; L28-R73 PolarHBondContact N-O 3Å; L28-R73 PolarHBondContact O-N 3.48Å; T30-R73 WeakPolarHBondContact OG1-CB 3.37Å; A36-R73 HydrophobicContact CB-CB 4.24Å; R73-D88 IonicContact CZ-OD2 3.24Å; R73-D88 VanDerWaalsContact CZ-OD2 3.24Å; R73-D88 IonicContact NH1-OD2 3.15Å; R73-D88 PolarHBondContact NH1-OD2 3.1Å; R73-D88 VanDerWaalsContact NH1-OD2 3.15Å; R73-D88 IonicContact NH2-OD1 3.56Å; R73-D88 IonicContact NH2-OD2 2.69Å; R73-D88 PolarHBondContact NH2-OD2 2.81Å; R73-T90 HydrophobicContact CB-CG2 4.46Å; R73-T90 HydrophobicContact CG-CG2 4.15Å |
| 74 | F | 89.5 | Confident | 89.6 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 30% | 0.303 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 142.1 | 177.8 | -62.3 | -86.1 | 0 | 0 | 0 | 110.5 | K27 T90 | K27-F74 HydrophobicContact CB-CD1 3.78Å; K27-F74 HydrophobicContact CB-CE1 4.01Å; K27-F74 HydrophobicContact CB-CG 4.49Å; K27-F74 HydrophobicContact CD-CD1 4.46Å; K27-F74 HydrophobicContact CD-CE1 3.86Å; F74-T90 HydrophobicContact CB-CG2 4.16Å; F74-T90 HydrophobicContact CD2-CG2 3.9Å |
| 75 | G | 87.4 | Confident | 89.4 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -75.7 | 151.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L16 P26 M89 | L16-G75 VanDerWaalsContact CG-CA 3.48Å; P26-G75 PolarHBondContact O-N 3.46Å; G75-M89 WeakPolarHBondContact O-CE 3.28Å |
| 76 | G | 86.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | trans | 106.7 | 160.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | E13 M89 | E13-G76 PolarHBondContact O-N 3.02Å; G76-M89 PolarHBondContact O-N 2.86Å | ||
| 77 | S | 84.9 | Confident | 88.7 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.9 | -168.8 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | V86 V87 | S77-V86 VanDerWaalsContact CB-CG1 3.44Å; S77-V87 CarbonylContact C-O 3.5Å; S77-V87 WeakPolarHBondContact CA-O 3.43Å; S77-V87 WeakPolarHBondContact CB-O 3.39Å |
| 78 | L | 84.3 | Confident | 88.1 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.9 | 179.3 | -63 | 166 | 0 | 0 | 0 | 109 | V86 V87 M89 I101 | L78-V86 CarbonylContact O-C 3.39Å; L78-V86 WeakPolarHBondContact O-CA 3.18Å; L78-V87 PolarHBondContact N-O 2.85Å; L78-V87 WeakPolarHBondContact O-CG2 2.95Å; L78-V87 PolarHBondContact O-N 3.15Å; L78-M89 HydrophobicContact CD1-CG 3.89Å; L78-M89 HydrophobicContact CG-CG 3.86Å; L78-I101 HydrophobicContact CB-CG2 3.81Å; L78-I101 HydrophobicContact CD1-CD1 3.91Å; L78-I101 HydrophobicContact CD1-CG1 4.17Å; L78-I101 HydrophobicContact CD1-CG2 4.15Å |
| 79 | E | 86.3 | Confident | 87.6 | Confident | 127 Ų | 127 | 59.5 Ų | 59.5 | 59% | 0.593 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.6 | 176.6 | -70.6 | 176.7 | -168.6 | 0 | 0 | 111 | T81 V86 | E79-T81 PolarHBondContact O-N 3.22Å; E79-V86 HydrophobicContact CG-CG2 4.02Å |
| 80 | C | 85.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -65 | 123.1 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 110 | D82 C83 N84 L85 I101 C103 | C80-D82 VanDerWaalsContact C-N 3.26Å; C80-D82 PolarHBondContact O-N 3.01Å; C80-C83 PolarHBondContact SG-SG 2.95Å; C80-N84 WeakPolarHBondContact O-CA 2.73Å; C80-N84 PolarHBondContact O-N 2.9Å; C80-L85 HydrophobicContact CB-CB 4.22Å; C80-L85 VanDerWaalsContact CB-O 3.26Å; C80-L85 WeakPolarHBondContact CB-O 3.42Å; C80-L85 PolarHBondContact N-O 2.93Å; C80-I101 CarbonylContact C-O 3.53Å; C80-I101 WeakPolarHBondContact CA-O 3.38Å; C80-C103 HydrophobicContact CB-CB 4.1Å; C80-C103 PolarHBondContact SG-N 3.19Å; C80-C103 VanDerWaalsContact SG-N 3.37Å | ||
| 81 | T | 84.3 | Confident | 86.1 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 49% | 0.485 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -29.5 | -177.7 | -51.3 | 0 | 0 | 0 | 0 | 113.3 | E79 I101 | E79-T81 PolarHBondContact O-N 3.22Å; T81-I101 PolarHBondContact N-O 2.82Å; T81-I101 PolarHBondContact OG1-N 2.82Å; T81-I101 PolarHBondContact OG1-O 3.24Å |
| 82 | D | 84.7 | Confident | 85.7 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 43% | 0.428 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -28.2 | -173.7 | -71.3 | -5.4 | 0 | 0 | 0 | 113.7 | C80 L102 C106 Q110 | C80-D82 VanDerWaalsContact C-N 3.26Å; C80-D82 PolarHBondContact O-N 3.01Å; D82-L102 HydrophobicContact CB-CD2 4.38Å; D82-C106 HydrophobicContact CB-CB 4.1Å; D82-Q110 PolarHBondContact OD1-NE2 3.14Å; D82-Q110 WeakPolarHBondContact OD2-CG 3.49Å; D82-Q110 PolarHBondContact OD2-NE2 3.25Å |
| 83 | C | 90.5 | Very high | 85.2 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | 2.3 | -174.5 | 69 | 0 | 0 | 0 | 0 | 114.6 | C80 L85 C106 | C80-C83 PolarHBondContact SG-SG 2.95Å; C83-L85 PolarHBondContact O-N 3.08Å; C83-L85 VanDerWaalsContact O-N 3.08Å; C83-L85 VanDerWaalsContact SG-CB 3.51Å; C83-C106 VanDerWaalsContact SG-SG 3.61Å |
| 84 | N | 89.1 | Confident | 84.3 | Confident | 115 Ų | 115 | 51.9 Ų | 51.9 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | trans | 57.6 | 16.8 | -177.1 | -56.8 | -24.3 | 0 | 0 | 0 | 114.7 | C80 V86 | C80-N84 WeakPolarHBondContact O-CA 2.73Å; C80-N84 PolarHBondContact O-N 2.9Å; N84-V86 PolarHBondContact O-N 2.69Å | ||
| 85 | L | 89 | Confident | 83.6 | Confident | 93 Ų | 93 | 49.6 Ų | 49.6 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | trans | -67.7 | 124.9 | 172.7 | -178.1 | 66.4 | 0 | 0 | 0 | 109.9 | C80 C83 V87 C103 | C80-L85 HydrophobicContact CB-CB 4.22Å; C80-L85 VanDerWaalsContact CB-O 3.26Å; C80-L85 WeakPolarHBondContact CB-O 3.42Å; C80-L85 PolarHBondContact N-O 2.93Å; C83-L85 PolarHBondContact O-N 3.08Å; C83-L85 VanDerWaalsContact O-N 3.08Å; C83-L85 VanDerWaalsContact SG-CB 3.51Å; L85-V87 HydrophobicContact CD2-CG1 4.38Å; L85-V87 HydrophobicContact CG-CG1 4.39Å; L85-V87 PolarHBondContact O-N 2.91Å; L85-C103 HydrophobicContact CD2-CB 3.91Å | ||
| 86 | V | 87.9 | Confident | 82.7 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 125 | 172.1 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | S77 L78 E79 N84 | S77-V86 VanDerWaalsContact CB-CG1 3.44Å; L78-V86 CarbonylContact O-C 3.39Å; L78-V86 WeakPolarHBondContact O-CA 3.18Å; E79-V86 HydrophobicContact CG-CG2 4.02Å; N84-V86 PolarHBondContact O-N 2.69Å |
| 87 | V | 82.7 | Confident | 82.1 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149 | 176.7 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | S77 L78 L85 I101 C103 | S77-V87 CarbonylContact C-O 3.5Å; S77-V87 WeakPolarHBondContact CA-O 3.43Å; S77-V87 WeakPolarHBondContact CB-O 3.39Å; L78-V87 PolarHBondContact N-O 2.85Å; L78-V87 WeakPolarHBondContact O-CG2 2.95Å; L78-V87 PolarHBondContact O-N 3.15Å; L85-V87 HydrophobicContact CD2-CG1 4.38Å; L85-V87 HydrophobicContact CG-CG1 4.39Å; L85-V87 PolarHBondContact O-N 2.91Å; V87-I101 HydrophobicContact CG2-CG2 4.39Å; V87-C103 HydrophobicContact CG1-CB 3.49Å; V87-C103 VanDerWaalsContact CG1-CB 3.49Å |
| 88 | D | 83.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 147.7 | 172 | -59.8 | -43.8 | 0 | 0 | 0 | 110.5 | R73 T90 S91 G92 | R73-D88 IonicContact CZ-OD2 3.24Å; R73-D88 VanDerWaalsContact CZ-OD2 3.24Å; R73-D88 IonicContact NH1-OD2 3.15Å; R73-D88 PolarHBondContact NH1-OD2 3.1Å; R73-D88 VanDerWaalsContact NH1-OD2 3.15Å; R73-D88 IonicContact NH2-OD1 3.56Å; R73-D88 IonicContact NH2-OD2 2.69Å; R73-D88 PolarHBondContact NH2-OD2 2.81Å; D88-T90 PolarHBondContact O-N 3.18Å; D88-S91 PolarHBondContact N-OG 3.33Å; D88-S91 PolarHBondContact O-N 3.3Å; D88-S91 PolarHBondContact O-OG 2.94Å; D88-S91 VanDerWaalsContact O-OG 3.08Å; D88-G92 PolarHBondContact O-N 2.85Å |
| 89 | M | 81.4 | Confident | 81.2 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 14% | 0.143 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.4 | 179.3 | -82.8 | -161 | -76.1 | 0 | 0 | 113.4 | M14 G75 G76 L78 Y140 | M14-M89 HydrophobicContact CE-CE 3.41Å; M14-M89 VanDerWaalsContact CE-CE 3.41Å; M14-M89 HydrophobicContact CE-SD 4.38Å; M14-M89 HydrophobicContact SD-CE 4.12Å; G75-M89 WeakPolarHBondContact O-CE 3.28Å; G76-M89 PolarHBondContact O-N 2.86Å; L78-M89 HydrophobicContact CD1-CG 3.89Å; L78-M89 HydrophobicContact CG-CG 3.86Å; M89-Y140 WeakPolarHBondContact O-CB 3.48Å |
| 90 | T | 79 | Confident | 80.9 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -20.4 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | R73 F74 D88 | R73-T90 HydrophobicContact CB-CG2 4.46Å; R73-T90 HydrophobicContact CG-CG2 4.15Å; F74-T90 HydrophobicContact CB-CG2 4.16Å; F74-T90 HydrophobicContact CD2-CG2 3.9Å; D88-T90 PolarHBondContact O-N 3.18Å |
| 91 | S | 78.8 | Confident | 80.7 | Confident | 51 Ų | 51 | 56 Ų | 56 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -20.8 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | D88 | D88-S91 PolarHBondContact N-OG 3.33Å; D88-S91 PolarHBondContact O-N 3.3Å; D88-S91 PolarHBondContact O-OG 2.94Å; D88-S91 VanDerWaalsContact O-OG 3.08Å |
| 92 | G | 82.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -62.1 | 135.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D88 | D88-G92 PolarHBondContact O-N 2.85Š| ||
| 93 | L | 80 | Confident | 80.6 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.4 | 175.6 | -71.3 | 173.7 | 0 | 0 | 0 | 109.4 | I101 L102 S107 L137 R139 | L93-I101 WeakPolarHBondContact O-CA 3.2Å; L93-L102 PolarHBondContact N-O 3.46Å; L93-L102 PolarHBondContact O-N 3.34Å; L93-S107 VanDerWaalsContact CD1-OG 3.27Å; L93-S107 WeakPolarHBondContact CD1-OG 3.27Å; L93-L137 HydrophobicContact CB-CD2 4.09Å; L93-L137 HydrophobicContact CD1-CD1 3.84Å; L93-L137 HydrophobicContact CD1-CD2 3.95Å; L93-L137 HydrophobicContact CD1-CG 4.41Å; L93-L137 HydrophobicContact CD2-CB 3.88Å; L93-L137 HydrophobicContact CD2-CD1 4.3Å; L93-L137 HydrophobicContact CD2-CD2 4.15Å; L93-L137 HydrophobicContact CD2-CG 4.35Å; L93-L137 HydrophobicContact CG-CD2 4.28Å; L93-R139 HydrophobicContact CD2-CG 4.22Å |
| 94 | W | 72.8 | Confident | 80.2 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.9 | 177.9 | -177.3 | 60.2 | 0 | 0 | 0 | 111 | Q96 I101 Y140 | W94-Q96 HydrophobicContact CE3-CB 4.38Å; W94-Q96 HydrophobicContact CE3-CG 3.73Å; W94-Q96 HydrophobicContact CH2-CB 3.98Å; W94-Q96 HydrophobicContact CH2-CG 4.08Å; W94-Q96 HydrophobicContact CZ3-CB 3.87Å; W94-Q96 HydrophobicContact CZ3-CG 3.44Å; W94-Q96 VanDerWaalsContact CZ3-CG 3.44Å; W94-I101 HydrophobicContact CB-CD1 3.82Å; W94-I101 HydrophobicContact CG-CD1 4.03Å; W94-Y140 HydrophobicContact CB-CD2 4.27Å |
| 95 | C | 73.6 | Confident | 79.8 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 14% | 0.142 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 111.1 | 171.2 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | T97 C98 S99 S100 | C95-T97 PolarHBondContact O-N 3.4Å; C95-C98 HydrophobicContact CB-CB 4.07Å; C95-C98 PolarHBondContact SG-N 3.11Å; C95-C98 VanDerWaalsContact SG-SG 3.65Å; C95-S99 VanDerWaalsContact O-CA 3.28Å; C95-S99 WeakPolarHBondContact O-CA 3.13Å; C95-S99 PolarHBondContact O-N 2.98Å; C95-S100 PolarHBondContact N-O 3.05Å |
| 96 | Q | 69.8 | Low | 79.5 | Confident | 113 Ų | 113 | 49.2 Ų | 49.2 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32.1 | -179.6 | -45.3 | -162.2 | -31.6 | 0 | 0 | 112.4 | W94 | W94-Q96 HydrophobicContact CE3-CB 4.38Å; W94-Q96 HydrophobicContact CE3-CG 3.73Å; W94-Q96 HydrophobicContact CH2-CB 3.98Å; W94-Q96 HydrophobicContact CH2-CG 4.08Å; W94-Q96 HydrophobicContact CZ3-CB 3.87Å; W94-Q96 HydrophobicContact CZ3-CG 3.44Å; W94-Q96 VanDerWaalsContact CZ3-CG 3.44Å |
| 97 | T | 73.5 | Confident | 78.9 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -46.4 | -178.5 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | C95 C114 Y118 | C95-T97 PolarHBondContact O-N 3.4Å; T97-C114 VanDerWaalsContact CB-SG 3.54Å; T97-Y118 HydrophobicContact CG2-CD2 3.78Å; T97-Y118 HydrophobicContact CG2-CE2 3.73Å |
| 98 | C | 72.8 | Confident | 78.3 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 31% | 0.311 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -11.2 | -178 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | C95 S100 | C95-C98 HydrophobicContact CB-CB 4.07Å; C95-C98 PolarHBondContact SG-N 3.11Å; C95-C98 VanDerWaalsContact SG-SG 3.65Å; C98-S100 PolarHBondContact O-N 3.46Å; C98-S100 PolarHBondContact O-OG 3.44Å; C98-S100 VanDerWaalsContact O-OG 3.14Å |
| 99 | S | 76.9 | Confident | 77.4 | Confident | 91 Ų | 91 | 53 Ų | 53 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 36.9 | -170.5 | -62.5 | 0 | 0 | 0 | 0 | 112.9 | C95 | C95-S99 VanDerWaalsContact O-CA 3.28Å; C95-S99 WeakPolarHBondContact O-CA 3.13Å; C95-S99 PolarHBondContact O-N 2.98Å |
| 100 | S | 81.2 | Confident | 76.4 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 12% | 0.119 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148 | -176.5 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | C95 C98 | C95-S100 PolarHBondContact N-O 3.05Å; C98-S100 PolarHBondContact O-N 3.46Å; C98-S100 PolarHBondContact O-OG 3.44Å; C98-S100 VanDerWaalsContact O-OG 3.14Å |
| 101 | I | 81 | Confident | 75.4 | Confident | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.2 | 171.8 | -61.2 | -66.5 | 0 | 0 | 0 | 108.6 | L78 C80 T81 V87 L93 W94 | L78-I101 HydrophobicContact CB-CG2 3.81Å; L78-I101 HydrophobicContact CD1-CD1 3.91Å; L78-I101 HydrophobicContact CD1-CG1 4.17Å; L78-I101 HydrophobicContact CD1-CG2 4.15Å; C80-I101 CarbonylContact C-O 3.53Å; C80-I101 WeakPolarHBondContact CA-O 3.38Å; T81-I101 PolarHBondContact N-O 2.82Å; T81-I101 PolarHBondContact OG1-N 2.82Å; T81-I101 PolarHBondContact OG1-O 3.24Å; V87-I101 HydrophobicContact CG2-CG2 4.39Å; L93-I101 WeakPolarHBondContact O-CA 3.2Å; W94-I101 HydrophobicContact CB-CD1 3.82Å; W94-I101 HydrophobicContact CG-CD1 4.03Å |
| 102 | L | 81.4 | Confident | 74.3 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.2 | -175.8 | -57.6 | 170.1 | 0 | 0 | 0 | 111.1 | D82 L93 C106 Q110 | D82-L102 HydrophobicContact CB-CD2 4.38Å; L93-L102 PolarHBondContact N-O 3.46Å; L93-L102 PolarHBondContact O-N 3.34Å; L102-C106 HydrophobicContact CB-CB 4.43Å; L102-C106 HydrophobicContact CD2-CB 4.18Å; L102-Q110 HydrophobicContact CD1-CB 3.35Å; L102-Q110 VanDerWaalsContact CD1-CD 3.47Å; L102-Q110 HydrophobicContact CD1-CG 3.44Å; L102-Q110 VanDerWaalsContact CD1-CG 3.44Å; L102-Q110 HydrophobicContact CD2-CG 3.77Å; L102-Q110 HydrophobicContact CG-CG 4.23Å |
| 103 | C | 84.2 | Confident | 72.9 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.02 | 34% | 0.339 | C | S | . | . | trans | -72.8 | 165.8 | 166.1 | 70.8 | 0 | 0 | 0 | 0 | 111 | C80 L85 V87 S105 C106 S107 | C80-C103 HydrophobicContact CB-CB 4.1Å; C80-C103 PolarHBondContact SG-N 3.19Å; C80-C103 VanDerWaalsContact SG-N 3.37Å; L85-C103 HydrophobicContact CD2-CB 3.91Å; V87-C103 HydrophobicContact CG1-CB 3.49Å; V87-C103 VanDerWaalsContact CG1-CB 3.49Å; C103-S105 PolarHBondContact O-N 3.35Å; C103-S105 VanDerWaalsContact O-N 3.17Å; C103-C106 PolarHBondContact O-N 2.86Å; C103-C106 VanDerWaalsContact O-N 3.1Å; C103-C106 PolarHBondContact SG-N 2.78Å; C103-C106 VanDerWaalsContact SG-N 3.43Å; C103-S107 WeakPolarHBondContact O-CB 3.46Å; C103-S107 PolarHBondContact O-N 3.45Å | ||
| 104 | E | 82 | Confident | 71.7 | Confident | 168 Ų | 168 | 64.1 Ų | 64.1 | 79% | 0.785 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -51.9 | -41.1 | 178.7 | -172.4 | 168 | -167.1 | 0 | 0 | 112 | S107 | E104-S107 PolarHBondContact O-OG 2.8Å |
| 105 | S | 82.2 | Confident | 70.8 | Confident | 97 Ų | 97 | 61.5 Ų | 61.5 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -71.6 | -33.5 | -179.6 | -46.4 | 0 | 0 | 0 | 0 | 114.4 | C103 | C103-S105 PolarHBondContact O-N 3.35Å; C103-S105 VanDerWaalsContact O-N 3.17Å |
| 106 | C | 82 | Confident | 69.7 | Low | 16 Ų | 16 | 63.4 Ų | 63.4 | 11% | 0.108 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -87.3 | -24.8 | 179.2 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | D82 C83 L102 C103 G108 R109 Q110 | D82-C106 HydrophobicContact CB-CB 4.1Å; C83-C106 VanDerWaalsContact SG-SG 3.61Å; L102-C106 HydrophobicContact CB-CB 4.43Å; L102-C106 HydrophobicContact CD2-CB 4.18Å; C103-C106 PolarHBondContact O-N 2.86Å; C103-C106 VanDerWaalsContact O-N 3.1Å; C103-C106 PolarHBondContact SG-N 2.78Å; C103-C106 VanDerWaalsContact SG-N 3.43Å; C106-G108 VanDerWaalsContact C-N 3.3Å; C106-G108 PolarHBondContact O-N 2.9Å; C106-R109 PolarHBondContact O-N 3.25Å; C106-Q110 PolarHBondContact O-N 3.5Å |
| 107 | S | 75 | Confident | 68.8 | Low | 10 Ų | 10 | 65.3 Ų | 65.3 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 179.6 | 72 | 0 | 0 | 0 | 0 | 112.6 | L93 C103 E104 R109 Q110 I111 | L93-S107 VanDerWaalsContact CD1-OG 3.27Å; L93-S107 WeakPolarHBondContact CD1-OG 3.27Å; C103-S107 WeakPolarHBondContact O-CB 3.46Å; C103-S107 PolarHBondContact O-N 3.45Å; E104-S107 PolarHBondContact O-OG 2.8Å; S107-R109 VanDerWaalsContact C-N 3.31Å; S107-R109 PolarHBondContact O-N 2.78Å; S107-Q110 PolarHBondContact O-N 3.29Å; S107-I111 WeakPolarHBondContact O-CB 3.38Å; S107-I111 WeakPolarHBondContact O-CD1 3.39Å; S107-I111 WeakPolarHBondContact O-CG1 3.34Å; S107-I111 PolarHBondContact O-N 2.88Å |
| 108 | G | 70.7 | Confident | 67.4 | Low | 33 Ų | 33 | 66.9 Ų | 66.9 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.5 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C106 F112 | C106-G108 VanDerWaalsContact C-N 3.3Å; C106-G108 PolarHBondContact O-N 2.9Å; G108-F112 WeakPolarHBondContact O-CD2 3.15Å |
| 109 | R | 65 | Low | 66.1 | Low | 188 Ų | 188 | 70.1 Ų | 70.1 | 71% | 0.709 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -72.8 | -42.9 | -179.5 | -63.6 | -175.3 | -173.3 | -141.4 | 1.1 | 112.3 | C106 S107 F112 L113 | C106-R109 PolarHBondContact O-N 3.25Å; S107-R109 VanDerWaalsContact C-N 3.31Å; S107-R109 PolarHBondContact O-N 2.78Å; R109-F112 PolarHBondContact O-N 3.36Å; R109-L113 PolarHBondContact O-N 2.86Å |
| 110 | Q | 59.1 | Low | 64.4 | Low | 19 Ų | 19 | 74.4 Ų | 74.4 | 9% | 0.089 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.5 | -29.5 | 176.6 | -78 | -140.5 | 2.3 | 0 | 0 | 113.3 | D82 L102 C106 S107 F112 L113 C114 | D82-Q110 PolarHBondContact OD1-NE2 3.14Å; D82-Q110 WeakPolarHBondContact OD2-CG 3.49Å; D82-Q110 PolarHBondContact OD2-NE2 3.25Å; L102-Q110 HydrophobicContact CD1-CB 3.35Å; L102-Q110 VanDerWaalsContact CD1-CD 3.47Å; L102-Q110 HydrophobicContact CD1-CG 3.44Å; L102-Q110 VanDerWaalsContact CD1-CG 3.44Å; L102-Q110 HydrophobicContact CD2-CG 3.77Å; L102-Q110 HydrophobicContact CG-CG 4.23Å; C106-Q110 PolarHBondContact O-N 3.5Å; S107-Q110 PolarHBondContact O-N 3.29Å; Q110-F112 PolarHBondContact O-N 2.81Å; Q110-L113 PolarHBondContact O-N 3.18Å; Q110-L113 VanDerWaalsContact O-N 3.14Å; Q110-C114 WeakPolarHBondContact O-CB 3.37Å; Q110-C114 PolarHBondContact O-N 3.36Å |
| 111 | I | 58.2 | Low | 62.6 | Low | 51 Ų | 51 | 77.2 Ų | 77.2 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -53.5 | -45.5 | 173.8 | -78.9 | 162.7 | 0 | 0 | 0 | 110.4 | S107 A115 F135 L137 | S107-I111 WeakPolarHBondContact O-CB 3.38Å; S107-I111 WeakPolarHBondContact O-CD1 3.39Å; S107-I111 WeakPolarHBondContact O-CG1 3.34Å; S107-I111 PolarHBondContact O-N 2.88Å; I111-A115 WeakPolarHBondContact O-CB 3.17Å; I111-A115 PolarHBondContact O-N 2.73Å; I111-A115 VanDerWaalsContact O-N 3.11Å; I111-F135 HydrophobicContact CB-CE1 4.38Å; I111-F135 HydrophobicContact CG1-CD1 4.4Å; I111-F135 HydrophobicContact CG2-CD1 4.01Å; I111-F135 HydrophobicContact CG2-CE1 3.64Å; I111-F135 HydrophobicContact CG2-CZ 4.38Å; I111-L137 HydrophobicContact CD1-CD1 3.94Å; I111-L137 HydrophobicContact CD1-CD2 4.14Å; I111-L137 HydrophobicContact CD1-CG 4.21Å; I111-L137 HydrophobicContact CG1-CD2 4.39Å |
| 112 | F | 55.5 | Low | 60.6 | Low | 156 Ų | 156 | 79.2 Ų | 79.2 | 68% | 0.684 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.6 | -46.5 | 174.6 | -72.9 | -76.8 | 0 | 0 | 0 | 112.5 | G108 R109 Q110 A115 S116 | G108-F112 WeakPolarHBondContact O-CD2 3.15Å; R109-F112 PolarHBondContact O-N 3.36Å; Q110-F112 PolarHBondContact O-N 2.81Å; F112-A115 WeakPolarHBondContact O-CB 3.42Å; F112-A115 PolarHBondContact O-N 3.14Å; F112-S116 PolarHBondContact O-N 3.31Å; F112-S116 PolarHBondContact O-OG 3.1Å |
| 113 | L | 54.6 | Low | 58.8 | Low | 112 Ų | 112 | 83 Ų | 83 | 59% | 0.586 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.3 | -35.9 | -177.1 | -66.5 | 173 | 0 | 0 | 0 | 113.3 | R109 Q110 S116 K117 | R109-L113 PolarHBondContact O-N 2.86Å; Q110-L113 PolarHBondContact O-N 3.18Å; Q110-L113 VanDerWaalsContact O-N 3.14Å; L113-S116 PolarHBondContact O-N 2.96Å; L113-K117 PolarHBondContact O-N 3.41Å |
| 114 | C | 54.9 | Low | 57 | Low | 15 Ų | 15 | 89.9 Ų | 89.9 | 10% | 0.101 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 175.7 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | T97 Q110 S116 K117 Y118 | T97-C114 VanDerWaalsContact CB-SG 3.54Å; Q110-C114 WeakPolarHBondContact O-CB 3.37Å; Q110-C114 PolarHBondContact O-N 3.36Å; C114-S116 VanDerWaalsContact C-N 3.31Å; C114-S116 PolarHBondContact O-N 3.17Å; C114-K117 PolarHBondContact O-N 3.37Å; C114-Y118 PolarHBondContact O-N 3.04Å |
| 115 | A | 53.3 | Low | 55.4 | Low | 28 Ų | 28 | 89 Ų | 89 | 23% | 0.231 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I111 F112 Y118 L119 F135 | I111-A115 WeakPolarHBondContact O-CB 3.17Å; I111-A115 PolarHBondContact O-N 2.73Å; I111-A115 VanDerWaalsContact O-N 3.11Å; F112-A115 WeakPolarHBondContact O-CB 3.42Å; F112-A115 PolarHBondContact O-N 3.14Å; A115-Y118 PolarHBondContact O-N 3.33Å; A115-L119 WeakPolarHBondContact O-CG 3.35Å; A115-L119 PolarHBondContact O-N 3.41Å; A115-F135 HydrophobicContact CB-CZ 4.01Å |
| 116 | S | 50.6 | Low | 53.2 | Low | 61 Ų | 61 | 91.4 Ų | 91.4 | 43% | 0.427 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 178.7 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | F112 L113 C114 Y118 L119 F120 | F112-S116 PolarHBondContact O-N 3.31Å; F112-S116 PolarHBondContact O-OG 3.1Å; L113-S116 PolarHBondContact O-N 2.96Å; C114-S116 VanDerWaalsContact C-N 3.31Å; C114-S116 PolarHBondContact O-N 3.17Å; S116-Y118 VanDerWaalsContact C-N 3.32Å; S116-Y118 PolarHBondContact O-N 2.77Å; S116-L119 PolarHBondContact O-N 3.28Å; S116-F120 WeakPolarHBondContact O-CD2 3.49Å; S116-F120 PolarHBondContact O-N 2.99Å |
| 117 | K | 50.8 | Low | 51.1 | Low | 153 Ų | 153 | 97.4 Ų | 97.4 | 67% | 0.665 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -34.4 | 175.5 | -74.6 | -170.1 | 176.5 | -172.4 | 0 | 112.6 | L113 C114 F120 S121 | L113-K117 PolarHBondContact O-N 3.41Å; C114-K117 PolarHBondContact O-N 3.37Å; K117-F120 PolarHBondContact O-N 3.03Å; K117-S121 PolarHBondContact O-N 3.35Å; K117-S121 PolarHBondContact O-OG 3.27Å |
| 118 | Y | 44.6 | Very low | 49.6 | Very low | 111 Ų | 111 | 107.7 Ų | 107.7 | 44% | 0.435 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.3 | -38.7 | 174.9 | -125.7 | -97 | 0 | 0 | 0 | 111.9 | T97 C114 A115 S116 F120 S121 V122 | T97-Y118 HydrophobicContact CG2-CD2 3.78Å; T97-Y118 HydrophobicContact CG2-CE2 3.73Å; C114-Y118 PolarHBondContact O-N 3.04Å; A115-Y118 PolarHBondContact O-N 3.33Å; S116-Y118 VanDerWaalsContact C-N 3.32Å; S116-Y118 PolarHBondContact O-N 2.77Å; Y118-F120 PolarHBondContact O-N 3.33Å; Y118-S121 CarbonylContact O-C 3.53Å; Y118-S121 WeakPolarHBondContact O-CA 3.4Å; Y118-S121 WeakPolarHBondContact O-CB 3.21Å; Y118-S121 PolarHBondContact O-N 3.02Å; Y118-V122 HydrophobicContact CD1-CG1 4.36Å; Y118-V122 HydrophobicContact CD1-CG2 4.23Å; Y118-V122 HydrophobicContact CE1-CG1 4.43Å; Y118-V122 WeakPolarHBondContact O-CG2 3.49Å; Y118-V122 PolarHBondContact O-N 2.98Å |
| 119 | L | 44.7 | Very low | 48.1 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 60% | 0.597 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.4 | -32.9 | 171.9 | -78.2 | 167.6 | 0 | 0 | 0 | 112.2 | A115 S116 A123 | A115-L119 WeakPolarHBondContact O-CG 3.35Å; A115-L119 PolarHBondContact O-N 3.41Å; S116-L119 PolarHBondContact O-N 3.28Å; L119-A123 WeakPolarHBondContact O-CB 3.45Å; L119-A123 PolarHBondContact O-N 3.04Å |
| 120 | F | 41.9 | Very low | 46.6 | Very low | 180 Ų | 180 | 108.8 Ų | 108.8 | 79% | 0.789 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.4 | -30.4 | 169.4 | -88.9 | -84 | 0 | 0 | 0 | 113.7 | S116 K117 Y118 | S116-F120 WeakPolarHBondContact O-CD2 3.49Å; S116-F120 PolarHBondContact O-N 2.99Å; K117-F120 PolarHBondContact O-N 3.03Å; Y118-F120 PolarHBondContact O-N 3.33Å |
| 121 | S | 41.9 | Very low | 45.6 | Very low | 76 Ų | 76 | 116 Ų | 116 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -81.1 | -37.6 | 179.1 | -55.4 | 0 | 0 | 0 | 0 | 112.9 | K117 Y118 | K117-S121 PolarHBondContact O-N 3.35Å; K117-S121 PolarHBondContact O-OG 3.27Å; Y118-S121 CarbonylContact O-C 3.53Å; Y118-S121 WeakPolarHBondContact O-CA 3.4Å; Y118-S121 WeakPolarHBondContact O-CB 3.21Å; Y118-S121 PolarHBondContact O-N 3.02Å |
| 122 | V | 39.9 | Very low | 44.8 | Very low | 67 Ų | 67 | 123.2 Ų | 123.2 | 41% | 0.406 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -96.3 | -2 | 179.1 | -77.7 | 0 | 0 | 0 | 0 | 114.7 | Y118 L124 Q125 | Y118-V122 HydrophobicContact CD1-CG1 4.36Å; Y118-V122 HydrophobicContact CD1-CG2 4.23Å; Y118-V122 HydrophobicContact CE1-CG1 4.43Å; Y118-V122 WeakPolarHBondContact O-CG2 3.49Å; Y118-V122 PolarHBondContact O-N 2.98Å; V122-L124 PolarHBondContact O-N 3.43Å; V122-L124 VanDerWaalsContact O-N 3.1Å; V122-Q125 CarbonylContact O-C 3.57Å; V122-Q125 PolarHBondContact O-N 3.12Å |
| 123 | A | 44.3 | Very low | 44.2 | Very low | 85 Ų | 85 | 119.3 Ų | 119.3 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -12.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L119 | L119-A123 WeakPolarHBondContact O-CB 3.45Å; L119-A123 PolarHBondContact O-N 3.04Å |
| 124 | L | 46.5 | Very low | 43.6 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 78% | 0.775 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -12.7 | 170.4 | -75.8 | 170.4 | 0 | 0 | 0 | 114.8 | V122 | V122-L124 PolarHBondContact O-N 3.43Å; V122-L124 VanDerWaalsContact O-N 3.1Å |
| 125 | Q | 46.8 | Very low | 43 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -144.5 | 88 | 177.4 | -90.2 | 124.1 | 26.2 | 0 | 0 | 111.5 | V122 | V122-Q125 CarbonylContact O-C 3.57Å; V122-Q125 PolarHBondContact O-N 3.12Å |
| 126 | N | 36.6 | Very low | 42.7 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 64% | 0.642 | S | S | * | * | trans | 47.5 | 96.9 | 150.7 | -72.5 | -58.9 | 0 | 0 | 0 | 118.7 | ||||
| 127 | I | 37.5 | Very low | 42.5 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 73% | 0.728 | 64% | 0.64 | S | S | * | * | 25.4 | 125.4 | 122.6 | -61.2 | 173.4 | 0 | 0 | 0 | 117.9 | |||||
| 128 | R | 43.6 | Very low | 42.3 | Very low | 226 Ų | 226 | 127 Ų | 127 | 85% | 0.853 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 66.3 | 97.5 | 162.2 | -75.5 | 171.8 | 167.8 | 175.6 | -3.9 | 113.4 | ||
| 129 | I | 39.4 | Very low | 42.4 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 83% | 0.826 | 63% | 0.631 | S | S | * | * | S | Bend | -169 | -4.1 | 92.2 | -89.4 | 150.7 | 0 | 0 | 0 | 114.2 | Y131 | I129-Y131 PolarHBondContact O-N 2.8Š| |
| 130 | T | 34.7 | Very low | 42.2 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | trans | -101 | 27.2 | -165.5 | 48 | 0 | 0 | 0 | 0 | 116.5 | Y132 S133 | T130-Y132 PolarHBondContact O-N 2.9Å; T130-Y132 VanDerWaalsContact O-N 3.07Å; T130-S133 WeakPolarHBondContact CB-OG 3.17Å; T130-S133 WeakPolarHBondContact CG2-OG 3.4Å; T130-S133 PolarHBondContact O-N 3.37Å | ||
| 131 | Y | 38.4 | Very low | 42 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 67% | 0.667 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -24.9 | 179.1 | -164.4 | -97.6 | 0 | 0 | 0 | 113.5 | I129 F135 | I129-Y131 PolarHBondContact O-N 2.8Å; Y131-F135 WeakPolarHBondContact O-CD2 3.15Å; Y131-F135 WeakPolarHBondContact O-CE2 3.26Å |
| 132 | Y | 40.4 | Very low | 41.3 | Very low | 203 Ų | 203 | 124.6 Ų | 124.6 | 80% | 0.796 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -11.1 | -175.8 | -78.5 | -80.6 | 0 | 0 | 0 | 115.6 | T130 | T130-Y132 PolarHBondContact O-N 2.9Å; T130-Y132 VanDerWaalsContact O-N 3.07Å |
| 133 | S | 42.8 | Very low | 41.1 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 52% | 0.524 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.4 | -15.7 | -172.3 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | T130 | T130-S133 WeakPolarHBondContact CB-OG 3.17Å; T130-S133 WeakPolarHBondContact CG2-OG 3.4Å; T130-S133 PolarHBondContact O-N 3.37Å |
| 134 | H | 41.7 | Very low | 40.9 | Very low | 131 Ų | 131 | 132 Ų | 132 | 61% | 0.606 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -96.4 | -13.2 | 179.2 | -81.4 | -82.7 | 0 | 0 | 0 | 114.8 | R136 | H134-R136 PolarHBondContact O-N 3.25Š|
| 135 | F | 43.6 | Very low | 40.6 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 40% | 0.395 | 67% | 0.67 | S | S | . | * | trans | -79.6 | 50.3 | 172.6 | -65.4 | -77.3 | 0 | 0 | 0 | 111.4 | I111 A115 Y131 L137 | I111-F135 HydrophobicContact CB-CE1 4.38Å; I111-F135 HydrophobicContact CG1-CD1 4.4Å; I111-F135 HydrophobicContact CG2-CD1 4.01Å; I111-F135 HydrophobicContact CG2-CE1 3.64Å; I111-F135 HydrophobicContact CG2-CZ 4.38Å; A115-F135 HydrophobicContact CB-CZ 4.01Å; Y131-F135 WeakPolarHBondContact O-CD2 3.15Å; Y131-F135 WeakPolarHBondContact O-CE2 3.26Å; F135-L137 PolarHBondContact O-N 2.82Å | ||
| 136 | R | 45.7 | Very low | 40.3 | Very low | 202 Ų | 202 | 130.2 Ų | 130.2 | 76% | 0.762 | 67% | 0.669 | S | S | * | * | trans | -76 | 88.6 | 153.1 | -77.7 | -171.4 | -179.2 | -158.9 | 1.3 | 105.7 | H134 A138 | H134-R136 PolarHBondContact O-N 3.25Å; R136-A138 PolarHBondContact O-N 3.08Å | ||
| 137 | L | 46.3 | Very low | 40.5 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 40% | 0.398 | 66% | 0.662 | S | S | . | * | trans | -54.7 | 84 | 146.8 | -79.2 | -178.9 | 0 | 0 | 0 | 106.3 | L93 I111 F135 R139 | L93-L137 HydrophobicContact CB-CD2 4.09Å; L93-L137 HydrophobicContact CD1-CD1 3.84Å; L93-L137 HydrophobicContact CD1-CD2 3.95Å; L93-L137 HydrophobicContact CD1-CG 4.41Å; L93-L137 HydrophobicContact CD2-CB 3.88Å; L93-L137 HydrophobicContact CD2-CD1 4.3Å; L93-L137 HydrophobicContact CD2-CD2 4.15Å; L93-L137 HydrophobicContact CD2-CG 4.35Å; L93-L137 HydrophobicContact CG-CD2 4.28Å; I111-L137 HydrophobicContact CD1-CD1 3.94Å; I111-L137 HydrophobicContact CD1-CD2 4.14Å; I111-L137 HydrophobicContact CD1-CG 4.21Å; I111-L137 HydrophobicContact CG1-CD2 4.39Å; F135-L137 PolarHBondContact O-N 2.82Å; L137-R139 PolarHBondContact O-N 3.47Å; L137-R139 VanDerWaalsContact O-N 3.12Å | ||
| 138 | A | 46.1 | Very low | 40.7 | Very low | 32 Ų | 32 | 128.3 Ų | 128.3 | 26% | 0.264 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.3 | 110.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | R136 Y140 | R136-A138 PolarHBondContact O-N 3.08Å; A138-Y140 PolarHBondContact O-N 3.43Å |
| 139 | R | 46.7 | Very low | 40.5 | Very low | 169 Ų | 169 | 121.8 Ų | 121.8 | 64% | 0.638 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -56.3 | 134 | 156.7 | -68 | -172.3 | -177.7 | -159.6 | 0.4 | 106.2 | L93 L137 G141 G142 | L93-R139 HydrophobicContact CD2-CG 4.22Å; L137-R139 PolarHBondContact O-N 3.47Å; L137-R139 VanDerWaalsContact O-N 3.12Å; R139-G141 PolarHBondContact O-N 3Å; R139-G142 PolarHBondContact O-N 3.19Å |
| 140 | Y | 40.9 | Very low | 40.5 | Very low | 132 Ų | 132 | 119 Ų | 119 | 52% | 0.518 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | 100.2 | 175.8 | -146.4 | -92.4 | 0 | 0 | 0 | 107.2 | M89 W94 A138 | M89-Y140 WeakPolarHBondContact O-CB 3.48Å; W94-Y140 HydrophobicContact CB-CD2 4.27Å; A138-Y140 PolarHBondContact O-N 3.43Å |
| 141 | G | 38.1 | Very low | 41 | Very low | 56 Ų | 56 | 121.8 Ų | 121.8 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.2 | 10.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | R139 | R139-G141 PolarHBondContact O-N 3Š|
| 142 | G | 28.3 | Very low | 41.2 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | trans | -100 | 74.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R139 | R139-G142 PolarHBondContact O-N 3.19Š| ||
| 143 | A | 34.1 | Very low | 41.3 | Very low | 174 Ų | 174 | 110 Ų | 110 | 100% | 1.438 | 63% | 0.625 | S | S | * | * | trans | -176.1 | 0 | 146.7 | 0 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 143 of 143 residues in 86.5 ms
(Link to these results)