| 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 | 63.4 | Low | 84.2 | Confident | 143 Ų | 143 | 97.3 Ų | 97.3 | 70% | 0.704 | 48% | 0.483 | S | S | * | . | 0 | 96.1 | 0 | -167.3 | 177.7 | -91.9 | 0 | 0 | 105 | N3 Y4 L125 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.24Å; M1-Y4 HydrophobicContact CG-CD2 3.72Å; M1-Y4 HydrophobicContact CG-CG 4.16Å; M1-Y4 HydrophobicContact SD-CD2 3.82Å; M1-Y4 HydrophobicContact SD-CG 3.86Å; M1-L125 HydrophobicContact CE-CD1 3.88Å; M1-L125 HydrophobicContact SD-CD1 3.74Å | |||
| 2 | E | 78.9 | Confident | 84.3 | Confident | 183 Ų | 183 | 95.8 Ų | 95.8 | 86% | 0.855 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -20.4 | -159.6 | -66.2 | 173.4 | 164.6 | 0 | 0 | 113.6 | L116 | E2-L116 WeakPolarHBondContact O-CD1 3.36Š|
| 3 | N | 84.6 | Confident | 83.7 | Confident | 98 Ų | 98 | 98.2 Ų | 98.2 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 8.5 | -174.5 | -58.7 | -30.4 | 0 | 0 | 0 | 114.7 | M1 P115 L116 L122 | M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.24Å; N3-P115 WeakPolarHBondContact O-CA 3.43Å; N3-L116 PolarHBondContact O-N 3.46Å; N3-L122 HydrophobicContact CB-CD1 4.04Å |
| 4 | Y | 86.4 | Confident | 83.2 | Confident | 37 Ų | 37 | 93.9 Ų | 93.9 | 15% | 0.145 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.6 | -171.8 | -73.3 | -91.3 | 0 | 0 | 0 | 112.3 | M1 W113 E114 P115 L122 D123 L125 | M1-Y4 HydrophobicContact CG-CD2 3.72Å; M1-Y4 HydrophobicContact CG-CG 4.16Å; M1-Y4 HydrophobicContact SD-CD2 3.82Å; M1-Y4 HydrophobicContact SD-CG 3.86Å; Y4-W113 HydrophobicContact CD1-CB 4.22Å; Y4-E114 WeakPolarHBondContact CA-O 3.19Å; Y4-P115 HydrophobicContact CD1-CG 4.47Å; Y4-P115 HydrophobicContact CE1-CB 4.36Å; Y4-P115 HydrophobicContact CE1-CG 3.91Å; Y4-L122 HydrophobicContact CE2-CD1 4.43Å; Y4-D123 WeakPolarHBondContact CE1-O 3.13Å; Y4-D123 PolarHBondContact OH-O 3.31Å; Y4-L125 HydrophobicContact CD1-CD1 3.93Å; Y4-L125 HydrophobicContact CD1-CG 4.22Å; Y4-L125 HydrophobicContact CD2-CD1 3.95Å; Y4-L125 HydrophobicContact CE1-CB 4.36Å; Y4-L125 HydrophobicContact CE1-CD1 3.59Å; Y4-L125 HydrophobicContact CE1-CG 3.62Å; Y4-L125 HydrophobicContact CE2-CD1 3.6Å; Y4-L125 HydrophobicContact CE2-CG 4.43Å; Y4-L125 HydrophobicContact CG-CD1 4.1Å |
| 5 | S | 88.1 | Confident | 83.2 | Confident | 54 Ų | 54 | 96.3 Ų | 96.3 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.6 | 169.9 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | A7 W113 E114 | S5-A7 PolarHBondContact O-N 3.48Å; S5-W113 VanDerWaalsContact C-CE3 3.43Å; S5-W113 CarbonylContact O-C 3.57Å; S5-W113 VanDerWaalsContact O-CA 3.27Å; S5-W113 WeakPolarHBondContact O-CA 3.31Å; S5-E114 PolarHBondContact N-O 2.9Å; S5-E114 PolarHBondContact O-N 3.21Å |
| 6 | R | 88.1 | Confident | 83.3 | Confident | 145 Ų | 145 | 92.8 Ų | 92.8 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 108.5 | 179.1 | -172.8 | 178.8 | 65.9 | -177.2 | -2.8 | 109.2 | V9 W113 | R6-V9 HydrophobicContact CG-CG2 4.36Å; R6-W113 HydrophobicContact CB-CD2 4.04Å; R6-W113 HydrophobicContact CB-CE3 3.91Å; R6-W113 HydrophobicContact CB-CH2 3.77Å; R6-W113 HydrophobicContact CB-CZ2 3.89Å; R6-W113 HydrophobicContact CB-CZ3 3.78Å; R6-W113 HydrophobicContact CG-CD2 4.44Å; R6-W113 HydrophobicContact CG-CH2 4.45Å; R6-W113 HydrophobicContact CG-CZ2 4.09Å; R6-W113 VanDerWaalsContact N-CE3 3.33Å |
| 7 | A | 87.1 | Confident | 83.5 | Confident | 47 Ų | 47 | 89.8 Ų | 89.8 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -53.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S5 V112 E114 | S5-A7 PolarHBondContact O-N 3.48Å; A7-V112 PolarHBondContact N-O 2.8Å; A7-E114 HydrophobicContact CB-CB 4.2Å; A7-E114 VanDerWaalsContact CB-CD 3.45Å; A7-E114 HydrophobicContact CB-CG 3.7Å |
| 8 | R | 89 | Confident | 83.7 | Confident | 133 Ų | 133 | 85.8 Ų | 85.8 | 50% | 0.502 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 154.8 | -177.7 | 62.1 | 178.1 | -176.7 | -83.2 | 1.7 | 113 | V112 E114 | R8-V112 HydrophobicContact CG-CB 3.69Å; R8-V112 HydrophobicContact CG-CG2 3.93Å; R8-V112 PolarHBondContact N-O 2.92Å; R8-V112 PolarHBondContact O-N 3.42Å; R8-E114 IonicContact NH1-OE1 2.72Å |
| 9 | V | 88.6 | Confident | 83.4 | Confident | 72 Ų | 72 | 86.3 Ų | 86.3 | 44% | 0.436 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.8 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | R6 V109 L110 E111 | R6-V9 HydrophobicContact CG-CG2 4.36Å; V9-V109 HydrophobicContact CG1-CG1 3.19Å; V9-L110 WeakPolarHBondContact CA-O 3.27Å; V9-E111 HydrophobicContact CG1-CG 4.48Å; V9-E111 HydrophobicContact CG2-CG 4.28Å |
| 10 | V | 87.1 | Confident | 83.2 | Confident | 67 Ų | 67 | 86.1 Ų | 86.1 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 113.9 | -178.4 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | V109 L110 | V10-V109 WeakPolarHBondContact O-CA 3.48Å; V10-L110 HydrophobicContact CB-CB 4.43Å; V10-L110 PolarHBondContact N-O 3.44Å; V10-L110 PolarHBondContact O-N 3.03Å |
| 11 | E | 85.3 | Confident | 83.2 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 43% | 0.425 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.4 | 171.8 | -62.4 | -171.5 | 177.5 | 0 | 0 | 110 | R31 V109 | E11-R31 IonicContact OE2-CZ 3.1Å; E11-R31 IonicContact OE2-NH1 3.72Å; E11-R31 PolarHBondContact OE2-NH1 3.16Å; E11-R31 IonicContact OE2-NH2 2.66Å; E11-V109 HydrophobicContact CB-CG2 4.46Å; E11-V109 HydrophobicContact CG-CG2 3.99Å |
| 12 | Q | 84.8 | Confident | 84.1 | Confident | 80 Ų | 80 | 80.4 Ų | 80.4 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 144.9 | 171.5 | -63.9 | -168.2 | 26.9 | 0 | 0 | 110.6 | C14 T108 L110 | Q12-C14 PolarHBondContact O-N 3.5Å; Q12-T108 VanDerWaalsContact CB-O 3.3Å; Q12-T108 WeakPolarHBondContact CB-O 3.22Å; Q12-T108 HydrophobicContact CG-CG2 4.4Å; Q12-T108 PolarHBondContact N-O 2.92Å; Q12-L110 HydrophobicContact CG-CD1 4.4Å; Q12-L110 HydrophobicContact CG-CG 4.3Å |
| 13 | P | 77.4 | Confident | 84 | Confident | 127 Ų | 127 | 77.2 Ų | 77.2 | 83% | 0.825 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 124.6 | 173 | -21.4 | 31.9 | 0 | 0 | 0 | 111 | ||
| 14 | C | 76.3 | Confident | 83.8 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 25% | 0.25 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 125.1 | 167.3 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | Q12 W135 | Q12-C14 PolarHBondContact O-N 3.5Å; C14-W135 HydrophobicContact CB-CZ2 4.22Å |
| 15 | V | 83.1 | Confident | 83.9 | Confident | 130 Ų | 130 | 76.5 Ų | 76.5 | 79% | 0.788 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 140 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 16 | S | 84.4 | Confident | 84.1 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 28% | 0.28 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 129.8 | 175 | 177 | 0 | 0 | 0 | 0 | 109.6 | F18 | S16-F18 PolarHBondContact O-N 3.21Å; S16-F18 PolarHBondContact OG-N 3.41Å |
| 17 | P | 87.5 | Confident | 84.4 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 28% | 0.279 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -72.6 | -7.8 | 174.3 | 32.4 | -35.7 | 0 | 0 | 0 | 111.8 | A19 R103 W135 | P17-A19 PolarHBondContact O-N 2.8Å; P17-R103 HydrophobicContact CB-CB 4.19Å; P17-R103 HydrophobicContact CG-CB 3.68Å; P17-R103 HydrophobicContact CG-CG 4.45Å; P17-R103 PolarHBondContact O-NH1 2.72Å; P17-W135 VanDerWaalsContact CD-CD1 3.49Å; P17-W135 VanDerWaalsContact CD-CE2 3.47Å; P17-W135 VanDerWaalsContact CD-CG 3.42Å; P17-W135 HydrophobicContact CG-CB 3.94Å; P17-W135 HydrophobicContact CG-CD2 4.19Å; P17-W135 HydrophobicContact CG-CG 3.68Å |
| 18 | F | 86.2 | Confident | 84.8 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 8% | 0.075 | 43% | 0.425 | C | S | . | . | trans | -89.3 | 100.2 | 177.4 | -66.1 | -87.9 | 0 | 0 | 0 | 110.4 | S16 L21 L73 L101 R103 W135 L137 | S16-F18 PolarHBondContact O-N 3.21Å; S16-F18 PolarHBondContact OG-N 3.41Å; F18-L21 HydrophobicContact CB-CD1 3.47Å; F18-L21 VanDerWaalsContact CB-CD1 3.47Å; F18-L21 HydrophobicContact CB-CD2 4.47Å; F18-L21 HydrophobicContact CB-CG 3.78Å; F18-L21 HydrophobicContact CG-CD1 4.04Å; F18-L73 HydrophobicContact CD2-CD1 3.65Å; F18-L73 HydrophobicContact CD2-CD2 4.49Å; F18-L73 HydrophobicContact CE2-CD1 3.61Å; F18-L73 HydrophobicContact CG-CD1 4.48Å; F18-L73 HydrophobicContact CZ-CD1 4.4Å; F18-L101 HydrophobicContact CD1-CD2 4.49Å; F18-L101 HydrophobicContact CE1-CB 4.29Å; F18-L101 HydrophobicContact CE1-CD2 3.68Å; F18-L101 HydrophobicContact CE1-CG 3.8Å; F18-L101 HydrophobicContact CZ-CG 4.22Å; F18-R103 HydrophobicContact CE1-CG 4.23Å; F18-R103 HydrophobicContact CE2-CB 4.22Å; F18-R103 HydrophobicContact CE2-CG 4.18Å; F18-R103 HydrophobicContact CZ-CB 4.27Å; F18-R103 HydrophobicContact CZ-CG 3.8Å; F18-W135 HydrophobicContact CD2-CB 4.14Å; F18-W135 HydrophobicContact CE2-CB 3.57Å; F18-L137 HydrophobicContact CD1-CB 4.44Å; F18-L137 HydrophobicContact CD1-CD2 4.17Å; F18-L137 HydrophobicContact CE1-CB 3.73Å; F18-L137 HydrophobicContact CE1-CD2 3.94Å; F18-L137 HydrophobicContact CE1-CG 4.46Å; F18-L137 HydrophobicContact CE2-CB 4.37Å; F18-L137 HydrophobicContact CZ-CB 3.69Å | ||
| 19 | A | 77.6 | Confident | 85.1 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 79% | 0.785 | 43% | 0.425 | S | S | * | . | trans | -82.2 | 142.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | P17 | P17-A19 PolarHBondContact O-N 2.8Š| ||
| 20 | G | 80.1 | Confident | 85.5 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 85% | 0.845 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 79 | 16.3 | 172 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 21 | L | 83.6 | Confident | 85.9 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | trans | -67.3 | 144.4 | 166.3 | -65.9 | 178.2 | 0 | 0 | 0 | 109.9 | F18 A23 T25 L73 L137 | F18-L21 HydrophobicContact CB-CD1 3.47Å; F18-L21 VanDerWaalsContact CB-CD1 3.47Å; F18-L21 HydrophobicContact CB-CD2 4.47Å; F18-L21 HydrophobicContact CB-CG 3.78Å; F18-L21 HydrophobicContact CG-CD1 4.04Å; L21-A23 PolarHBondContact O-N 3.32Å; L21-T25 HydrophobicContact CD1-CG2 4.38Å; L21-L73 HydrophobicContact CD1-CD2 4.11Å; L21-L137 HydrophobicContact CD1-CD1 4.27Å; L21-L137 HydrophobicContact CD2-CD1 4.08Å; L21-L137 HydrophobicContact CD2-CD2 3.95Å | ||
| 22 | P | 82.9 | Confident | 86.1 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | trans | -50.7 | 137.9 | 170 | -28.2 | 36.4 | 0 | 0 | 0 | 111.4 | D24 T25 | P22-D24 WeakPolarHBondContact CB-OD1 3.24Å; P22-D24 PolarHBondContact O-N 3.48Å; P22-D24 VanDerWaalsContact O-N 3.07Å; P22-T25 WeakPolarHBondContact CD-OG1 3.49Å; P22-T25 VanDerWaalsContact O-CB 3.28Å; P22-T25 WeakPolarHBondContact O-CB 3.49Å; P22-T25 PolarHBondContact O-N 3.3Å; P22-T25 PolarHBondContact O-OG1 3.29Å | ||
| 23 | A | 75.8 | Confident | 86.5 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 96% | 0.959 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L21 | L21-A23 PolarHBondContact O-N 3.32Š|
| 24 | D | 79.9 | Confident | 87.4 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 51% | 0.508 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.9 | 176.9 | 67.1 | -41.6 | 0 | 0 | 0 | 113.6 | P22 P26 | P22-D24 WeakPolarHBondContact CB-OD1 3.24Å; P22-D24 PolarHBondContact O-N 3.48Å; P22-D24 VanDerWaalsContact O-N 3.07Å; D24-P26 WeakPolarHBondContact O-CD 3.43Å; D24-P26 VanDerWaalsContact O-N 3.12Å |
| 25 | T | 89.5 | Confident | 88.4 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.153 | 41% | 0.41 | C | S | . | . | trans | -63.5 | 113.7 | -178.3 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | L21 P22 E27 Q71 | L21-T25 HydrophobicContact CD1-CG2 4.38Å; P22-T25 WeakPolarHBondContact CD-OG1 3.49Å; P22-T25 VanDerWaalsContact O-CB 3.28Å; P22-T25 WeakPolarHBondContact O-CB 3.49Å; P22-T25 PolarHBondContact O-N 3.3Å; P22-T25 PolarHBondContact O-OG1 3.29Å; T25-E27 PolarHBondContact O-N 3.05Å; T25-Q71 HydrophobicContact CG2-CB 4.02Å | ||
| 26 | P | 92.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | trans | -68.4 | 133.9 | -177.7 | 24 | -31.2 | 0 | 0 | 0 | 111 | D24 F42 R46 C69 Q71 L72 L73 | D24-P26 WeakPolarHBondContact O-CD 3.43Å; D24-P26 VanDerWaalsContact O-N 3.12Å; P26-F42 HydrophobicContact CB-CE1 4.19Å; P26-F42 HydrophobicContact CB-CZ 4.25Å; P26-R46 HydrophobicContact CB-CG 4.11Å; P26-R46 HydrophobicContact CG-CB 4.01Å; P26-R46 HydrophobicContact CG-CG 4.1Å; P26-C69 WeakPolarHBondContact CD-SG 3.42Å; P26-C69 HydrophobicContact CG-CB 3.97Å; P26-Q71 VanDerWaalsContact CD-O 3.31Å; P26-Q71 WeakPolarHBondContact CD-O 3.41Å; P26-L72 HydrophobicContact CB-CD1 3.87Å; P26-L72 HydrophobicContact CG-CD1 3.61Å; P26-L73 PolarHBondContact O-N 3.07Å | ||
| 27 | E | 94.3 | Very high | 89.6 | Confident | 54 Ų | 54 | 70.7 Ų | 70.7 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.3 | 175.1 | -170.4 | -168.8 | 166.7 | 0 | 0 | 111.3 | T25 R29 L73 S75 W135 | T25-E27 PolarHBondContact O-N 3.05Å; E27-R29 VanDerWaalsContact CD-CZ 3.49Å; E27-R29 HydrophobicContact CG-CG 4.07Å; E27-R29 VanDerWaalsContact OE1-CG 3.31Å; E27-R29 WeakPolarHBondContact OE1-CG 3.41Å; E27-R29 IonicContact OE1-CZ 3.88Å; E27-R29 VanDerWaalsContact OE1-CZ 3.24Å; E27-R29 IonicContact OE1-NE 3.45Å; E27-R29 PolarHBondContact OE1-NE 2.93Å; E27-R29 IonicContact OE1-NH1 3.17Å; E27-R29 IonicContact OE1-NH2 2.64Å; E27-R29 IonicContact OE2-CZ 3.25Å; E27-R29 IonicContact OE2-NE 2.93Å; E27-R29 PolarHBondContact OE2-NE 3.07Å; E27-R29 VanDerWaalsContact OE2-NE 3.17Å; E27-R29 IonicContact OE2-NH2 3.17Å; E27-R29 PolarHBondContact OE2-NH2 2.92Å; E27-L73 CarbonylContact C-O 3.58Å; E27-L73 WeakPolarHBondContact CA-O 3.44Å; E27-L73 HydrophobicContact CG-CB 4.42Å; E27-L73 HydrophobicContact CG-CD2 4.25Å; E27-L73 HydrophobicContact CG-CG 4.36Å; E27-S75 WeakPolarHBondContact OE1-CB 3.33Å; E27-S75 PolarHBondContact OE1-OG 2.7Å; E27-W135 WeakPolarHBondContact OE1-CZ3 3.42Å |
| 28 | V | 95.8 | Very high | 90.1 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 4% | 0.036 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 95.9 | 172.8 | -172 | 0 | 0 | 0 | 0 | 109.2 | V30 L39 F42 A43 L72 L73 F74 S75 | V28-V30 HydrophobicContact CG1-CG2 4.29Å; V28-V30 PolarHBondContact O-N 3.12Å; V28-L39 HydrophobicContact CG1-CB 4.14Å; V28-L39 HydrophobicContact CG1-CD2 3.67Å; V28-L39 HydrophobicContact CG1-CG 4.4Å; V28-F42 HydrophobicContact CG2-CD1 3.74Å; V28-F42 HydrophobicContact CG2-CE1 3.87Å; V28-A43 HydrophobicContact CG2-CB 4.46Å; V28-L72 HydrophobicContact CG2-CD1 3.67Å; V28-L72 HydrophobicContact CG2-CD2 4.3Å; V28-L72 HydrophobicContact CG2-CG 4.17Å; V28-L73 PolarHBondContact N-O 3.1Å; V28-F74 HydrophobicContact CB-CD1 3.58Å; V28-F74 HydrophobicContact CB-CE1 3.69Å; V28-F74 HydrophobicContact CB-CG 4.29Å; V28-F74 HydrophobicContact CB-CZ 4.48Å; V28-F74 HydrophobicContact CG1-CD1 3.71Å; V28-F74 HydrophobicContact CG1-CE1 3.56Å; V28-F74 HydrophobicContact CG2-CD1 4.32Å; V28-F74 HydrophobicContact CG2-CE1 4.05Å; V28-F74 HydrophobicContact CG2-CZ 4.4Å; V28-F74 WeakPolarHBondContact O-CA 3.46Å; V28-S75 PolarHBondContact O-N 2.95Å |
| 29 | R | 95.5 | Very high | 90.6 | Very high | 132 Ų | 132 | 72.4 Ų | 72.4 | 50% | 0.498 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 108.9 | 176.1 | -65.3 | 176.6 | -175.1 | -102 | 0.8 | 110.4 | E27 | E27-R29 VanDerWaalsContact CD-CZ 3.49Å; E27-R29 HydrophobicContact CG-CG 4.07Å; E27-R29 VanDerWaalsContact OE1-CG 3.31Å; E27-R29 WeakPolarHBondContact OE1-CG 3.41Å; E27-R29 IonicContact OE1-CZ 3.88Å; E27-R29 VanDerWaalsContact OE1-CZ 3.24Å; E27-R29 IonicContact OE1-NE 3.45Å; E27-R29 PolarHBondContact OE1-NE 2.93Å; E27-R29 IonicContact OE1-NH1 3.17Å; E27-R29 IonicContact OE1-NH2 2.64Å; E27-R29 IonicContact OE2-CZ 3.25Å; E27-R29 IonicContact OE2-NE 2.93Å; E27-R29 PolarHBondContact OE2-NE 3.07Å; E27-R29 VanDerWaalsContact OE2-NE 3.17Å; E27-R29 IonicContact OE2-NH2 3.17Å; E27-R29 PolarHBondContact OE2-NH2 2.92Å |
| 30 | V | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.8 | -178.9 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | V28 L39 F74 S75 A76 A80 K83 A84 | V28-V30 HydrophobicContact CG1-CG2 4.29Å; V28-V30 PolarHBondContact O-N 3.12Å; V30-L39 HydrophobicContact CB-CD1 4.39Å; V30-L39 HydrophobicContact CG1-CD1 3.86Å; V30-L39 HydrophobicContact CG2-CD1 3.97Å; V30-F74 HydrophobicContact CG2-CD1 4.01Å; V30-S75 PolarHBondContact N-O 2.84Å; V30-A76 HydrophobicContact CB-CB 4.07Å; V30-A80 HydrophobicContact CG1-CB 4.35Å; V30-A80 VanDerWaalsContact O-CB 3.3Å; V30-A80 WeakPolarHBondContact O-CB 3.28Å; V30-K83 HydrophobicContact CG1-CB 3.91Å; V30-K83 HydrophobicContact CG1-CD 3.64Å; V30-K83 HydrophobicContact CG1-CG 3.86Å; V30-A84 HydrophobicContact CB-CB 3.99Å; V30-A84 HydrophobicContact CG1-CB 4.3Å; V30-A84 HydrophobicContact CG2-CB 3.8Å |
| 31 | R | 94.4 | Very high | 92.2 | Very high | 102 Ų | 102 | 71.6 Ų | 71.6 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | trans | -119.9 | 170.5 | 178.9 | -54.8 | -60.1 | -170.1 | 168.1 | 10.6 | 110.5 | E11 G33 S34 K83 | E11-R31 IonicContact OE2-CZ 3.1Å; E11-R31 IonicContact OE2-NH1 3.72Å; E11-R31 PolarHBondContact OE2-NH1 3.16Å; E11-R31 IonicContact OE2-NH2 2.66Å; R31-G33 VanDerWaalsContact C-N 3.28Å; R31-G33 PolarHBondContact O-N 3.31Å; R31-S34 PolarHBondContact N-OG 3.19Å; R31-S34 WeakPolarHBondContact O-CB 3.39Å; R31-S34 PolarHBondContact O-N 2.97Å; R31-S34 PolarHBondContact O-OG 2.79Å; R31-K83 PolarHBondContact O-NZ 3.4Å | ||
| 32 | D | 89.8 | Confident | 92.8 | Very high | 99 Ų | 99 | 72.9 Ų | 72.9 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -40.1 | 178.4 | -78.4 | 5.2 | 0 | 0 | 0 | 112.2 | S34 R79 A80 K83 | D32-S34 VanDerWaalsContact C-N 3.35Å; D32-S34 PolarHBondContact O-N 3.21Å; D32-R79 WeakPolarHBondContact OD1-CB 3.39Å; D32-A80 PolarHBondContact OD1-N 2.86Å; D32-K83 PolarHBondContact O-NZ 2.81Å |
| 33 | G | 93.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 69.8 Ų | 69.8 | 65% | 0.649 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R31 K35 | R31-G33 VanDerWaalsContact C-N 3.28Å; R31-G33 PolarHBondContact O-N 3.31Å; G33-K35 PolarHBondContact O-N 2.69Å |
| 34 | S | 96.6 | Very high | 94.2 | Very high | 28 Ų | 28 | 64.7 Ų | 64.7 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -64.3 | 133.2 | -173.9 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | R31 D32 K83 | R31-S34 PolarHBondContact N-OG 3.19Å; R31-S34 WeakPolarHBondContact O-CB 3.39Å; R31-S34 PolarHBondContact O-N 2.97Å; R31-S34 PolarHBondContact O-OG 2.79Å; D32-S34 VanDerWaalsContact C-N 3.35Å; D32-S34 PolarHBondContact O-N 3.21Å; S34-K83 PolarHBondContact O-NZ 3.26Å | ||
| 35 | K | 97.3 | Very high | 94.7 | Very high | 148 Ų | 148 | 62 Ų | 62 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | trans | -89.3 | 118.6 | 177.9 | -56.3 | -61.9 | 179.8 | 178.8 | 0 | 110 | G33 R37 N38 L39 | G33-K35 PolarHBondContact O-N 2.69Å; K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 3.08Å; K35-R37 VanDerWaalsContact O-N 3.17Å; K35-N38 HydrophobicContact CB-CB 4.46Å; K35-N38 PolarHBondContact O-N 3.29Å; K35-L39 PolarHBondContact O-N 2.86Å | ||
| 36 | I | 96.9 | Very high | 94.7 | Very high | 75 Ų | 75 | 63 Ų | 63 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -50 | -45.7 | -176.5 | -66.3 | 172.1 | 0 | 0 | 0 | 111.6 | N38 L39 L40 K83 | I36-N38 VanDerWaalsContact C-N 3.29Å; I36-N38 PolarHBondContact O-N 3.29Å; I36-L39 PolarHBondContact O-N 2.84Å; I36-L40 HydrophobicContact CG2-CD1 3.61Å; I36-L40 HydrophobicContact CG2-CG 4.04Å; I36-L40 WeakPolarHBondContact O-CB 3.23Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.15Å; I36-L40 PolarHBondContact O-N 2.94Å; I36-K83 HydrophobicContact CD1-CG 4.19Å; I36-K83 HydrophobicContact CG1-CD 4.07Å; I36-K83 HydrophobicContact CG1-CG 3.83Å |
| 37 | R | 96.3 | Very high | 94.4 | Very high | 179 Ų | 179 | 62.3 Ų | 62.3 | 68% | 0.675 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -54.8 | -41.8 | 178.3 | -174 | 179.8 | 69.4 | 175 | -0.1 | 113.1 | K35 R41 | K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 3.08Å; K35-R37 VanDerWaalsContact O-N 3.17Å; R37-R41 WeakPolarHBondContact O-CB 3.17Å; R37-R41 PolarHBondContact O-N 2.85Å |
| 38 | N | 97.1 | Very high | 93.7 | Very high | 76 Ų | 76 | 64 Ų | 64 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.4 | -41.7 | -178.1 | -66 | -3.1 | 0 | 0 | 0 | 110.9 | K35 I36 R41 F42 | K35-N38 HydrophobicContact CB-CB 4.46Å; K35-N38 PolarHBondContact O-N 3.29Å; I36-N38 VanDerWaalsContact C-N 3.29Å; I36-N38 PolarHBondContact O-N 3.29Å; N38-R41 PolarHBondContact O-N 2.74Å; N38-R41 PolarHBondContact OD1-NH1 2.9Å; N38-F42 PolarHBondContact O-N 3.46Å |
| 39 | L | 97.4 | Very high | 92.1 | Very high | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 175.8 | -59.6 | 175.7 | 0 | 0 | 0 | 111.2 | V28 V30 K35 I36 F42 A43 K83 | V28-L39 HydrophobicContact CG1-CB 4.14Å; V28-L39 HydrophobicContact CG1-CD2 3.67Å; V28-L39 HydrophobicContact CG1-CG 4.4Å; V30-L39 HydrophobicContact CB-CD1 4.39Å; V30-L39 HydrophobicContact CG1-CD1 3.86Å; V30-L39 HydrophobicContact CG2-CD1 3.97Å; K35-L39 PolarHBondContact O-N 2.86Å; I36-L39 PolarHBondContact O-N 2.84Å; L39-F42 PolarHBondContact O-N 2.67Å; L39-A43 VanDerWaalsContact O-CB 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.36Å; L39-A43 PolarHBondContact O-N 3.41Å; L39-K83 HydrophobicContact CD1-CD 4.44Å |
| 40 | L | 96.6 | Very high | 90 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 178.7 | -68.1 | 177.5 | 0 | 0 | 0 | 112 | I36 F42 A43 L44 C87 V90 V91 | I36-L40 HydrophobicContact CG2-CD1 3.61Å; I36-L40 HydrophobicContact CG2-CG 4.04Å; I36-L40 WeakPolarHBondContact O-CB 3.23Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.15Å; I36-L40 PolarHBondContact O-N 2.94Å; L40-F42 VanDerWaalsContact C-N 3.31Å; L40-F42 PolarHBondContact O-N 2.86Å; L40-A43 PolarHBondContact O-N 2.78Å; L40-L44 VanDerWaalsContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CD1 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 2.87Å; L40-C87 HydrophobicContact CD2-CB 4.15Å; L40-C87 WeakPolarHBondContact CD2-O 3.26Å; L40-V90 HydrophobicContact CD1-CB 4.2Å; L40-V90 HydrophobicContact CD1-CG1 3.64Å; L40-V90 HydrophobicContact CD2-CB 3.86Å; L40-V90 HydrophobicContact CD2-CG1 3.83Å; L40-V90 HydrophobicContact CG-CG1 4.37Å; L40-V91 HydrophobicContact CD2-CG2 3.9Å |
| 41 | R | 94.9 | Very high | 87.8 | Confident | 144 Ų | 144 | 69.3 Ų | 69.3 | 54% | 0.543 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 176.5 | -176.1 | -172.6 | -66.9 | 126.7 | -6.8 | 110.9 | R37 N38 S45 | R37-R41 WeakPolarHBondContact O-CB 3.17Å; R37-R41 PolarHBondContact O-N 2.85Å; N38-R41 PolarHBondContact O-N 2.74Å; N38-R41 PolarHBondContact OD1-NH1 2.9Å; R41-S45 WeakPolarHBondContact O-CB 3.4Å; R41-S45 PolarHBondContact O-N 3.1Å; R41-S45 PolarHBondContact O-OG 2.85Å |
| 42 | F | 94.4 | Very high | 85.4 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 177.9 | 176.4 | -90.3 | 0 | 0 | 0 | 112.1 | P26 V28 N38 L39 L40 L44 S45 R46 | P26-F42 HydrophobicContact CB-CE1 4.19Å; P26-F42 HydrophobicContact CB-CZ 4.25Å; V28-F42 HydrophobicContact CG2-CD1 3.74Å; V28-F42 HydrophobicContact CG2-CE1 3.87Å; N38-F42 PolarHBondContact O-N 3.46Å; L39-F42 PolarHBondContact O-N 2.67Å; L40-F42 VanDerWaalsContact C-N 3.31Å; L40-F42 PolarHBondContact O-N 2.86Å; F42-L44 VanDerWaalsContact C-N 3.35Å; F42-L44 PolarHBondContact O-N 3.22Å; F42-S45 PolarHBondContact O-N 3.46Å; F42-S45 PolarHBondContact O-OG 2.79Å; F42-R46 HydrophobicContact CD1-CG 4.35Å; F42-R46 HydrophobicContact CE1-CG 3.97Å; F42-R46 HydrophobicContact CE2-CG 4.3Å; F42-R46 HydrophobicContact CZ-CG 3.95Å; F42-R46 WeakPolarHBondContact O-CG 3.45Å; F42-R46 PolarHBondContact O-N 2.99Å; F42-R46 VanDerWaalsContact O-N 3.11Å |
| 43 | A | 94.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V28 L39 L40 R46 L47 L72 F74 V91 | V28-A43 HydrophobicContact CG2-CB 4.46Å; L39-A43 VanDerWaalsContact O-CB 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.36Å; L39-A43 PolarHBondContact O-N 3.41Å; L40-A43 PolarHBondContact O-N 2.78Å; A43-R46 PolarHBondContact O-N 3.34Å; A43-L47 PolarHBondContact O-N 3.09Å; A43-L72 HydrophobicContact CB-CD2 3.47Å; A43-L72 VanDerWaalsContact CB-CD2 3.47Å; A43-F74 HydrophobicContact CB-CE1 4.48Å; A43-F74 HydrophobicContact CB-CZ 3.77Å; A43-V91 HydrophobicContact CB-CG2 3.78Å |
| 44 | L | 93.3 | Very high | 80.8 | Confident | 9 Ų | 9 | 73.6 Ų | 73.6 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 178.4 | -66.2 | 168.5 | 0 | 0 | 0 | 111.1 | L40 F42 R46 L47 E48 V91 R94 L95 | L40-L44 VanDerWaalsContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CD1 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 2.87Å; F42-L44 VanDerWaalsContact C-N 3.35Å; F42-L44 PolarHBondContact O-N 3.22Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-R46 VanDerWaalsContact O-N 3.17Å; L44-L47 PolarHBondContact O-N 3.07Å; L44-E48 WeakPolarHBondContact O-CB 3.49Å; L44-E48 WeakPolarHBondContact O-CG 3.37Å; L44-E48 PolarHBondContact O-N 3.21Å; L44-V91 HydrophobicContact CD2-CG1 4.43Å; L44-V91 HydrophobicContact CD2-CG2 4.41Å; L44-R94 VanDerWaalsContact CD1-CD 3.44Å; L44-R94 HydrophobicContact CD2-CB 3.92Å; L44-L95 HydrophobicContact CD2-CD1 3.95Å; L44-L95 HydrophobicContact CD2-CD2 4.5Å; L44-L95 HydrophobicContact CD2-CG 3.94Å |
| 45 | S | 90.9 | Very high | 78.1 | Confident | 37 Ų | 37 | 81 Ų | 81 | 26% | 0.259 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.4 | -28.3 | 178.8 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | R41 F42 V49 | R41-S45 WeakPolarHBondContact O-CB 3.4Å; R41-S45 PolarHBondContact O-N 3.1Å; R41-S45 PolarHBondContact O-OG 2.85Å; F42-S45 PolarHBondContact O-N 3.46Å; F42-S45 PolarHBondContact O-OG 2.79Å; S45-V49 WeakPolarHBondContact O-CG2 3.28Å |
| 46 | R | 89.8 | Confident | 75.3 | Confident | 47 Ų | 47 | 82.6 Ų | 82.6 | 18% | 0.177 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -77.6 | -37.9 | 177.2 | -68.3 | -62.6 | -179.9 | 168.4 | 0.9 | 113.3 | P26 F42 A43 L44 G66 C69 L72 | P26-R46 HydrophobicContact CB-CG 4.11Å; P26-R46 HydrophobicContact CG-CB 4.01Å; P26-R46 HydrophobicContact CG-CG 4.1Å; F42-R46 HydrophobicContact CD1-CG 4.35Å; F42-R46 HydrophobicContact CE1-CG 3.97Å; F42-R46 HydrophobicContact CE2-CG 4.3Å; F42-R46 HydrophobicContact CZ-CG 3.95Å; F42-R46 WeakPolarHBondContact O-CG 3.45Å; F42-R46 PolarHBondContact O-N 2.99Å; F42-R46 VanDerWaalsContact O-N 3.11Å; A43-R46 PolarHBondContact O-N 3.34Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-R46 VanDerWaalsContact O-N 3.17Å; R46-G66 PolarHBondContact NH1-O 3.18Å; R46-C69 PolarHBondContact O-N 2.98Å; R46-L72 HydrophobicContact CB-CD1 4.43Å |
| 47 | L | 87.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 88.9 Ų | 88.9 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -84.8 | -42.6 | -178.9 | -68.6 | 171 | 0 | 0 | 0 | 111.5 | A43 L44 V49 L72 V91 L95 L98 R140 | A43-L47 PolarHBondContact O-N 3.09Å; L44-L47 PolarHBondContact O-N 3.07Å; L47-V49 PolarHBondContact O-N 3.01Å; L47-L72 HydrophobicContact CD1-CB 4.01Å; L47-L72 HydrophobicContact CD1-CD2 3.82Å; L47-L72 HydrophobicContact CD2-CB 3.98Å; L47-L72 HydrophobicContact CG-CB 4.08Å; L47-L72 HydrophobicContact CG-CD2 4.36Å; L47-V91 HydrophobicContact CD1-CG1 3.69Å; L47-L95 HydrophobicContact CB-CD1 3.42Å; L47-L95 VanDerWaalsContact CB-CD1 3.42Å; L47-L95 HydrophobicContact CD1-CD1 3.83Å; L47-L95 HydrophobicContact CG-CD1 4.29Å; L47-L98 HydrophobicContact CD1-CD1 4.2Å; L47-R140 PolarHBondContact O-NE 2.64Å; L47-R140 PolarHBondContact O-NH1 3.17Å; L47-R140 PolarHBondContact O-NH2 3.46Å |
| 48 | E | 79 | Confident | 70.3 | Confident | 88 Ų | 88 | 83.9 Ų | 83.9 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | -173.3 | -76 | 172 | 176.1 | 0 | 0 | 114.3 | L44 G50 L51 L95 | L44-E48 WeakPolarHBondContact O-CB 3.49Å; L44-E48 WeakPolarHBondContact O-CG 3.37Å; L44-E48 PolarHBondContact O-N 3.21Å; E48-G50 PolarHBondContact O-N 3.38Å; E48-L51 PolarHBondContact O-N 3.25Å; E48-L95 HydrophobicContact CG-CD1 4.32Å; E48-L95 HydrophobicContact CG-CD2 3.62Å |
| 49 | V | 61.2 | Low | 67.5 | Low | 59 Ų | 59 | 89.4 Ų | 89.4 | 36% | 0.358 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -64.8 | -12.8 | -171.9 | 178.3 | 0 | 0 | 0 | 0 | 113.1 | S45 L47 L51 A68 | S45-V49 WeakPolarHBondContact O-CG2 3.28Å; L47-V49 PolarHBondContact O-N 3.01Å; V49-L51 PolarHBondContact O-N 3.46Å; V49-A68 HydrophobicContact CB-CB 3.79Å; V49-A68 HydrophobicContact CG1-CB 3.97Å |
| 50 | G | 52.8 | Low | 64.8 | Low | 49 Ų | 49 | 96.8 Ų | 96.8 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -73.5 | -2.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E48 | E48-G50 PolarHBondContact O-N 3.38Š|
| 51 | L | 48.9 | Very low | 62.5 | Low | 143 Ų | 143 | 101 Ų | 101 | 75% | 0.749 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -98.4 | -8.6 | 179.6 | -77.7 | 160.8 | 0 | 0 | 0 | 114.3 | E48 V49 | E48-L51 PolarHBondContact O-N 3.25Å; V49-L51 PolarHBondContact O-N 3.46Å |
| 52 | G | 46 | Very low | 60.4 | Low | 59 Ų | 59 | 96.5 Ų | 96.5 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -144.3 | 20.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 53 | R | 44.7 | Very low | 57.9 | Low | 197 Ų | 197 | 99.6 Ų | 99.6 | 74% | 0.743 | 57% | 0.567 | S | S | * | * | trans | -130.5 | 41.3 | 176 | -88.3 | -170.3 | 160.2 | 164.5 | -4.4 | 114 | ||||
| 54 | A | 41.4 | Very low | 55.7 | Low | 98 Ų | 98 | 103.6 Ų | 103.6 | 81% | 0.81 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -90.1 | 108.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||
| 55 | Q | 39 | Very low | 53.9 | Low | 184 Ų | 184 | 106.8 Ų | 106.8 | 86% | 0.86 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 68.9 | 102.2 | -173.6 | -83.2 | 164.9 | -8.3 | 0 | 0 | 116.2 | ||
| 56 | E | 37.9 | Very low | 52.3 | Low | 180 Ų | 180 | 106.4 Ų | 106.4 | 84% | 0.841 | 62% | 0.619 | S | S | * | * | -178 | 107 | 121.5 | -96 | 173.6 | -164.4 | 0 | 0 | 107.7 | |||||
| 57 | E | 42.2 | Very low | 51 | Low | 207 Ų | 207 | 108.9 Ų | 108.9 | 97% | 0.967 | 64% | 0.641 | S | S | * | * | trans | -79.4 | 129.8 | 172 | -65.6 | -173.2 | 150.4 | 0 | 0 | 108.9 | ||||
| 58 | G | 47.5 | Very low | 50.1 | Low | 75 Ų | 75 | 110.6 Ų | 110.6 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | trans | 117.6 | 76 | 164 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 59 | E | 38.2 | Very low | 50.2 | Low | 192 Ų | 192 | 106.9 Ų | 106.9 | 90% | 0.897 | 64% | 0.639 | S | S | * | * | trans | -159.3 | 138.5 | 146.4 | -133.8 | 175.8 | 154.8 | 0 | 0 | 111.3 | ||||
| 60 | E | 39.4 | Very low | 51.4 | Low | 176 Ų | 176 | 106.4 Ų | 106.4 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | trans | -53.9 | 152.7 | -166.4 | -71.9 | -78.2 | 121.1 | 0 | 0 | 116.7 | G62 | E60-G62 PolarHBondContact O-N 3.4Å; E60-G62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | P | 49.7 | Very low | 53.3 | Low | 102 Ų | 102 | 105.6 Ų | 105.6 | 66% | 0.662 | 62% | 0.621 | S | S | * | * | trans | -85.3 | 97.2 | -170.6 | 34.9 | -31.2 | 0 | 0 | 0 | 111.6 | ||||
| 62 | G | 50.6 | Low | 55.5 | Low | 50 Ų | 50 | 98.8 Ų | 98.8 | 52% | 0.515 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -61.5 | 169.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 110 | E60 S64 | E60-G62 PolarHBondContact O-N 3.4Å; E60-G62 VanDerWaalsContact O-N 3.16Å; G62-S64 VanDerWaalsContact C-N 3.35Å; G62-S64 WeakPolarHBondContact O-CA 3.47Å; G62-S64 PolarHBondContact O-N 2.92Å; G62-S64 PolarHBondContact O-OG 2.92Å |
| 63 | P | 42.1 | Very low | 57.9 | Low | 139 Ų | 139 | 96.3 Ų | 96.3 | 90% | 0.903 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -58.5 | 98.1 | -177.1 | 25.2 | -32.7 | 0 | 0 | 0 | 109.7 | P65 | P63-P65 WeakPolarHBondContact O-CD 3.37Š|
| 64 | S | 48.5 | Very low | 60.4 | Low | 85 Ų | 85 | 87 Ų | 87 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | trans | -65.3 | 122.1 | -161.8 | -63 | 0 | 0 | 0 | 0 | 109.6 | G62 G66 | G62-S64 VanDerWaalsContact C-N 3.35Å; G62-S64 WeakPolarHBondContact O-CA 3.47Å; G62-S64 PolarHBondContact O-N 2.92Å; G62-S64 PolarHBondContact O-OG 2.92Å; S64-G66 PolarHBondContact O-N 3.21Å | ||
| 65 | P | 54.6 | Low | 63.1 | Low | 75 Ų | 75 | 82.7 Ų | 82.7 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | trans | -60.6 | 115.2 | 159 | 27 | -26.6 | 0 | 0 | 0 | 104.6 | P63 | P63-P65 WeakPolarHBondContact O-CD 3.37Š| ||
| 66 | G | 58.4 | Low | 65.8 | Low | 30 Ų | 30 | 74.3 Ų | 74.3 | 31% | 0.309 | 45% | 0.449 | S | S | . | . | trans | -51 | 179.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | R46 S64 | R46-G66 PolarHBondContact NH1-O 3.18Å; S64-G66 PolarHBondContact O-N 3.21Å | ||
| 67 | P | 61.2 | Low | 68.6 | Low | 98 Ų | 98 | 66.2 Ų | 66.2 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -50.7 | 148.3 | -166.5 | 22.5 | -33.9 | 0 | 0 | 0 | 112.7 | C69 | P67-C69 PolarHBondContact O-N 3.33Å; P67-C69 PolarHBondContact O-SG 2.8Å |
| 68 | A | 68 | Low | 71 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 31% | 0.306 | 38% | 0.377 | S | S | . | . | trans | -57.7 | 135.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V49 | V49-A68 HydrophobicContact CB-CB 3.79Å; V49-A68 HydrophobicContact CG1-CB 3.97Å | ||
| 69 | C | 81.1 | Confident | 73.2 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | trans | -112.4 | 139.5 | -177.3 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | P26 R46 P67 Q71 | P26-C69 WeakPolarHBondContact CD-SG 3.42Å; P26-C69 HydrophobicContact CG-CB 3.97Å; R46-C69 PolarHBondContact O-N 2.98Å; P67-C69 PolarHBondContact O-N 3.33Å; P67-C69 PolarHBondContact O-SG 2.8Å; C69-Q71 WeakPolarHBondContact CB-O 3.32Å; C69-Q71 PolarHBondContact O-N 2.9Å | ||
| 70 | S | 88.1 | Confident | 76 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 34% | 0.343 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -69.2 | -18.4 | 170.9 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | S139 R140 E141 | S70-S139 WeakPolarHBondContact O-CA 3.32Å; S70-R140 PolarHBondContact O-N 2.82Å; S70-E141 VanDerWaalsContact CB-OE1 3.32Å; S70-E141 WeakPolarHBondContact CB-OE1 3.46Å; S70-E141 PolarHBondContact OG-OE1 3.07Å |
| 71 | Q | 92.7 | Very high | 78.7 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.8 | -171.8 | -59.5 | -175.9 | -2.1 | 0 | 0 | 112 | T25 P26 C69 L137 L138 | T25-Q71 HydrophobicContact CG2-CB 4.02Å; P26-Q71 VanDerWaalsContact CD-O 3.31Å; P26-Q71 WeakPolarHBondContact CD-O 3.41Å; C69-Q71 WeakPolarHBondContact CB-O 3.32Å; C69-Q71 PolarHBondContact O-N 2.9Å; Q71-L137 HydrophobicContact CB-CD1 4.2Å; Q71-L138 CarbonylContact C-O 3.57Å; Q71-L138 VanDerWaalsContact CA-O 3.26Å; Q71-L138 WeakPolarHBondContact CA-O 3.46Å |
| 72 | L | 94.9 | Very high | 81 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 134.2 | 176.9 | -179.7 | 78.6 | 0 | 0 | 0 | 109.4 | P26 V28 A43 R46 L47 F74 L138 | P26-L72 HydrophobicContact CB-CD1 3.87Å; P26-L72 HydrophobicContact CG-CD1 3.61Å; V28-L72 HydrophobicContact CG2-CD1 3.67Å; V28-L72 HydrophobicContact CG2-CD2 4.3Å; V28-L72 HydrophobicContact CG2-CG 4.17Å; A43-L72 HydrophobicContact CB-CD2 3.47Å; A43-L72 VanDerWaalsContact CB-CD2 3.47Å; R46-L72 HydrophobicContact CB-CD1 4.43Å; L47-L72 HydrophobicContact CD1-CB 4.01Å; L47-L72 HydrophobicContact CD1-CD2 3.82Å; L47-L72 HydrophobicContact CD2-CB 3.98Å; L47-L72 HydrophobicContact CG-CB 4.08Å; L47-L72 HydrophobicContact CG-CD2 4.36Å; L72-F74 HydrophobicContact CD2-CD2 4.32Å; L72-F74 HydrophobicContact CD2-CE2 3.52Å; L72-F74 HydrophobicContact CD2-CZ 3.83Å; L72-F74 HydrophobicContact CG-CE2 4.32Å; L72-L138 PolarHBondContact N-O 2.93Å; L72-L138 PolarHBondContact O-N 3.44Å |
| 73 | L | 96.3 | Very high | 83.2 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.3 | -179.8 | -174.7 | 62.5 | 0 | 0 | 0 | 110.8 | F18 L21 P26 E27 V28 W135 L137 | F18-L73 HydrophobicContact CD2-CD1 3.65Å; F18-L73 HydrophobicContact CD2-CD2 4.49Å; F18-L73 HydrophobicContact CE2-CD1 3.61Å; F18-L73 HydrophobicContact CG-CD1 4.48Å; F18-L73 HydrophobicContact CZ-CD1 4.4Å; L21-L73 HydrophobicContact CD1-CD2 4.11Å; P26-L73 PolarHBondContact O-N 3.07Å; E27-L73 CarbonylContact C-O 3.58Å; E27-L73 WeakPolarHBondContact CA-O 3.44Å; E27-L73 HydrophobicContact CG-CB 4.42Å; E27-L73 HydrophobicContact CG-CD2 4.25Å; E27-L73 HydrophobicContact CG-CG 4.36Å; V28-L73 PolarHBondContact N-O 3.1Å; L73-W135 HydrophobicContact CD1-CB 4.48Å; L73-W135 HydrophobicContact CD1-CE3 4.22Å; L73-W135 HydrophobicContact CD2-CE3 3.72Å; L73-W135 HydrophobicContact CD2-CZ3 3.81Å; L73-W135 HydrophobicContact CG-CE3 4.04Å; L73-W135 HydrophobicContact CG-CZ3 4.47Å; L73-L137 HydrophobicContact CD1-CB 4.24Å |
| 74 | F | 97.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.1 | 165.3 | -72.6 | -87.6 | 0 | 0 | 0 | 110.1 | V28 V30 A43 L72 C87 A88 V91 W135 I136 L138 | V28-F74 HydrophobicContact CB-CD1 3.58Å; V28-F74 HydrophobicContact CB-CE1 3.69Å; V28-F74 HydrophobicContact CB-CG 4.29Å; V28-F74 HydrophobicContact CB-CZ 4.48Å; V28-F74 HydrophobicContact CG1-CD1 3.71Å; V28-F74 HydrophobicContact CG1-CE1 3.56Å; V28-F74 HydrophobicContact CG2-CD1 4.32Å; V28-F74 HydrophobicContact CG2-CE1 4.05Å; V28-F74 HydrophobicContact CG2-CZ 4.4Å; V28-F74 WeakPolarHBondContact O-CA 3.46Å; V30-F74 HydrophobicContact CG2-CD1 4.01Å; A43-F74 HydrophobicContact CB-CE1 4.48Å; A43-F74 HydrophobicContact CB-CZ 3.77Å; L72-F74 HydrophobicContact CD2-CD2 4.32Å; L72-F74 HydrophobicContact CD2-CE2 3.52Å; L72-F74 HydrophobicContact CD2-CZ 3.83Å; L72-F74 HydrophobicContact CG-CE2 4.32Å; F74-C87 HydrophobicContact CD1-CB 4.23Å; F74-C87 HydrophobicContact CE1-CB 3.67Å; F74-C87 HydrophobicContact CZ-CB 4.15Å; F74-A88 HydrophobicContact CD2-CB 4.18Å; F74-A88 HydrophobicContact CE2-CB 4.37Å; F74-V91 HydrophobicContact CE2-CG2 4.35Å; F74-V91 HydrophobicContact CZ-CG2 3.99Å; F74-W135 CarbonylContact O-C 3.49Å; F74-W135 VanDerWaalsContact O-CA 3.3Å; F74-W135 WeakPolarHBondContact O-CA 3.36Å; F74-I136 HydrophobicContact CB-CB 4.26Å; F74-I136 PolarHBondContact N-O 3.2Å; F74-I136 PolarHBondContact O-N 2.72Å; F74-L138 HydrophobicContact CD2-CD1 4.35Å; F74-L138 HydrophobicContact CE2-CD1 3.91Å |
| 75 | S | 96.8 | Very high | 88.2 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.6 | 174.1 | 68.1 | 0 | 0 | 0 | 0 | 111 | E27 V28 V30 V134 W135 | E27-S75 WeakPolarHBondContact OE1-CB 3.33Å; E27-S75 PolarHBondContact OE1-OG 2.7Å; V28-S75 PolarHBondContact O-N 2.95Å; V30-S75 PolarHBondContact N-O 2.84Å; S75-V134 WeakPolarHBondContact CA-O 3.37Å; S75-W135 VanDerWaalsContact CB-CE3 3.45Å; S75-W135 VanDerWaalsContact CB-CZ3 3.49Å |
| 76 | A | 96.7 | Very high | 90.2 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 154.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V30 A80 V81 A84 A133 V134 | V30-A76 HydrophobicContact CB-CB 4.07Å; A76-A80 HydrophobicContact CB-CB 4.12Å; A76-V81 HydrophobicContact CB-CG2 4.5Å; A76-A84 HydrophobicContact CB-CB 3.55Å; A76-A133 CarbonylContact O-C 3.58Å; A76-A133 WeakPolarHBondContact O-CA 3.43Å; A76-A133 WeakPolarHBondContact O-CB 3.46Å; A76-V134 HydrophobicContact CB-CG1 4.16Å; A76-V134 PolarHBondContact N-O 3.17Å; A76-V134 PolarHBondContact O-N 2.8Å |
| 77 | S | 95.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156.7 | 174.4 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | R79 A80 P132 | S77-R79 PolarHBondContact O-N 2.88Å; S77-A80 PolarHBondContact O-N 2.84Å; S77-P132 CarbonylContact C-O 3.54Å; S77-P132 VanDerWaalsContact CA-O 3.28Å; S77-P132 WeakPolarHBondContact CA-O 3.35Å |
| 78 | G | 93.8 | Very high | 93.8 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 22% | 0.216 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | 55.7 | -126.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A80 V81 P132 | G78-A80 PolarHBondContact O-N 2.89Å; G78-V81 WeakPolarHBondContact O-CB 3.38Å; G78-V81 VanDerWaalsContact O-CG2 3.31Å; G78-V81 WeakPolarHBondContact O-CG2 3.5Å; G78-V81 PolarHBondContact O-N 3.04Å; G78-P132 PolarHBondContact N-O 3.32Å |
| 79 | R | 93.9 | Very high | 95.1 | Very high | 221 Ų | 221 | 34 Ų | 34 | 83% | 0.834 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -68 | -18.7 | -175.5 | -70.8 | 178.5 | 141.7 | -134.9 | -5.8 | 113.9 | D32 S77 V81 | D32-R79 WeakPolarHBondContact OD1-CB 3.39Å; S77-R79 PolarHBondContact O-N 2.88Å; R79-V81 VanDerWaalsContact C-N 3.33Å |
| 80 | A | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -80.6 | -12.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | V30 D32 A76 S77 G78 S82 K83 A84 | V30-A80 HydrophobicContact CG1-CB 4.35Å; V30-A80 VanDerWaalsContact O-CB 3.3Å; V30-A80 WeakPolarHBondContact O-CB 3.28Å; D32-A80 PolarHBondContact OD1-N 2.86Å; A76-A80 HydrophobicContact CB-CB 4.12Å; S77-A80 PolarHBondContact O-N 2.84Å; G78-A80 PolarHBondContact O-N 2.89Å; A80-S82 PolarHBondContact O-N 3.25Å; A80-K83 WeakPolarHBondContact O-CB 3.38Å; A80-K83 PolarHBondContact O-N 2.82Å; A80-K83 VanDerWaalsContact O-N 3.09Å; A80-A84 PolarHBondContact O-N 2.88Å |
| 81 | V | 96.8 | Very high | 96.1 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.9 | -51.9 | -176.2 | 168.1 | 0 | 0 | 0 | 0 | 112 | A76 G78 R79 K83 A84 I85 V134 | A76-V81 HydrophobicContact CB-CG2 4.5Å; G78-V81 WeakPolarHBondContact O-CB 3.38Å; G78-V81 VanDerWaalsContact O-CG2 3.31Å; G78-V81 WeakPolarHBondContact O-CG2 3.5Å; G78-V81 PolarHBondContact O-N 3.04Å; R79-V81 VanDerWaalsContact C-N 3.33Å; V81-K83 PolarHBondContact O-N 3.33Å; V81-A84 PolarHBondContact O-N 3.37Å; V81-A84 VanDerWaalsContact O-N 3.09Å; V81-I85 HydrophobicContact CG1-CD1 3.95Å; V81-I85 WeakPolarHBondContact O-CG1 3.47Å; V81-I85 PolarHBondContact O-N 3.37Å; V81-I85 VanDerWaalsContact O-N 3.07Å; V81-V134 HydrophobicContact CB-CG1 4.33Å; V81-V134 HydrophobicContact CG1-CB 4.27Å; V81-V134 HydrophobicContact CG1-CG1 3.89Å; V81-V134 HydrophobicContact CG2-CG1 4.19Å |
| 82 | S | 97.3 | Very high | 96.1 | Very high | 85 Ų | 85 | 31.4 Ų | 31.4 | 59% | 0.594 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -61.2 | -32.6 | -180 | -51.6 | 0 | 0 | 0 | 0 | 112.6 | A80 T86 | A80-S82 PolarHBondContact O-N 3.25Å; S82-T86 WeakPolarHBondContact O-CB 3.3Å; S82-T86 PolarHBondContact O-N 3.25Å; S82-T86 PolarHBondContact O-OG1 3.3Å |
| 83 | K | 97.7 | Very high | 95.9 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 18% | 0.183 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 176.7 | -168.8 | -171.4 | -58.4 | 174.2 | 0 | 111.2 | V30 R31 D32 S34 I36 L39 A80 V81 T86 C87 | V30-K83 HydrophobicContact CG1-CB 3.91Å; V30-K83 HydrophobicContact CG1-CD 3.64Å; V30-K83 HydrophobicContact CG1-CG 3.86Å; R31-K83 PolarHBondContact O-NZ 3.4Å; D32-K83 PolarHBondContact O-NZ 2.81Å; S34-K83 PolarHBondContact O-NZ 3.26Å; I36-K83 HydrophobicContact CD1-CG 4.19Å; I36-K83 HydrophobicContact CG1-CD 4.07Å; I36-K83 HydrophobicContact CG1-CG 3.83Å; L39-K83 HydrophobicContact CD1-CD 4.44Å; A80-K83 WeakPolarHBondContact O-CB 3.38Å; A80-K83 PolarHBondContact O-N 2.82Å; A80-K83 VanDerWaalsContact O-N 3.09Å; V81-K83 PolarHBondContact O-N 3.33Å; K83-T86 PolarHBondContact O-N 3.06Å; K83-C87 PolarHBondContact O-N 3.19Å; K83-C87 PolarHBondContact O-SG 3.48Å; K83-C87 VanDerWaalsContact O-SG 3.39Å |
| 84 | A | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V30 A76 A80 V81 T86 C87 A88 V134 | V30-A84 HydrophobicContact CB-CB 3.99Å; V30-A84 HydrophobicContact CG1-CB 4.3Å; V30-A84 HydrophobicContact CG2-CB 3.8Å; A76-A84 HydrophobicContact CB-CB 3.55Å; A80-A84 PolarHBondContact O-N 2.88Å; V81-A84 PolarHBondContact O-N 3.37Å; V81-A84 VanDerWaalsContact O-N 3.09Å; A84-T86 VanDerWaalsContact C-N 3.33Å; A84-T86 PolarHBondContact O-N 3.09Å; A84-C87 PolarHBondContact O-N 3.3Å; A84-A88 PolarHBondContact O-N 3.33Å; A84-V134 HydrophobicContact CB-CG1 4.37Å |
| 85 | I | 97.2 | Very high | 95.4 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 174.1 | -62.8 | 166.7 | 0 | 0 | 0 | 109.7 | V81 C87 A88 E89 I136 | V81-I85 HydrophobicContact CG1-CD1 3.95Å; V81-I85 WeakPolarHBondContact O-CG1 3.47Å; V81-I85 PolarHBondContact O-N 3.37Å; V81-I85 VanDerWaalsContact O-N 3.07Å; I85-C87 VanDerWaalsContact C-N 3.31Å; I85-C87 PolarHBondContact O-N 3.39Å; I85-A88 PolarHBondContact O-N 3.34Å; I85-E89 HydrophobicContact CG2-CG 4.4Å; I85-E89 WeakPolarHBondContact O-CG 3.48Å; I85-E89 PolarHBondContact O-N 2.86Å; I85-I136 HydrophobicContact CG1-CD1 4.05Å |
| 86 | T | 97.3 | Very high | 95.1 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | S82 K83 A84 E89 V90 | S82-T86 WeakPolarHBondContact O-CB 3.3Å; S82-T86 PolarHBondContact O-N 3.25Å; S82-T86 PolarHBondContact O-OG1 3.3Å; K83-T86 PolarHBondContact O-N 3.06Å; A84-T86 VanDerWaalsContact C-N 3.33Å; A84-T86 PolarHBondContact O-N 3.09Å; T86-E89 PolarHBondContact O-N 2.82Å; T86-V90 WeakPolarHBondContact O-CG2 3.3Å; T86-V90 PolarHBondContact O-N 2.78Å |
| 87 | C | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 177.1 | -75.6 | 0 | 0 | 0 | 0 | 112 | L40 F74 K83 A84 I85 E89 V90 V91 | L40-C87 HydrophobicContact CD2-CB 4.15Å; L40-C87 WeakPolarHBondContact CD2-O 3.26Å; F74-C87 HydrophobicContact CD1-CB 4.23Å; F74-C87 HydrophobicContact CE1-CB 3.67Å; F74-C87 HydrophobicContact CZ-CB 4.15Å; K83-C87 PolarHBondContact O-N 3.19Å; K83-C87 PolarHBondContact O-SG 3.48Å; K83-C87 VanDerWaalsContact O-SG 3.39Å; A84-C87 PolarHBondContact O-N 3.3Å; I85-C87 VanDerWaalsContact C-N 3.31Å; I85-C87 PolarHBondContact O-N 3.39Å; C87-E89 PolarHBondContact O-N 3.34Å; C87-V90 PolarHBondContact O-N 3.17Å; C87-V91 WeakPolarHBondContact O-CG2 3.36Å; C87-V91 PolarHBondContact O-N 3.42Å |
| 88 | A | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | F74 A84 I85 V90 V91 K92 I136 L138 | F74-A88 HydrophobicContact CD2-CB 4.18Å; F74-A88 HydrophobicContact CE2-CB 4.37Å; A84-A88 PolarHBondContact O-N 3.33Å; I85-A88 PolarHBondContact O-N 3.34Å; A88-V90 VanDerWaalsContact C-N 3.33Å; A88-V90 PolarHBondContact O-N 3.41Å; A88-V91 PolarHBondContact O-N 2.9Å; A88-K92 WeakPolarHBondContact O-CG 3.31Å; A88-K92 PolarHBondContact O-N 2.91Å; A88-I136 HydrophobicContact CB-CD1 3.97Å; A88-I136 HydrophobicContact CB-CG2 4.08Å; A88-L138 HydrophobicContact CB-CD1 4.4Å |
| 89 | E | 95.4 | Very high | 94.8 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -34.1 | 177.8 | -68.6 | -50.5 | 137.1 | 0 | 0 | 113.5 | I85 T86 C87 K92 R93 | I85-E89 HydrophobicContact CG2-CG 4.4Å; I85-E89 WeakPolarHBondContact O-CG 3.48Å; I85-E89 PolarHBondContact O-N 2.86Å; T86-E89 PolarHBondContact O-N 2.82Å; C87-E89 PolarHBondContact O-N 3.34Å; E89-K92 VanDerWaalsContact CD-NZ 3.29Å; E89-K92 WeakPolarHBondContact OE1-CE 3.34Å; E89-K92 IonicContact OE1-NZ 3.47Å; E89-K92 PolarHBondContact OE1-NZ 3.07Å; E89-K92 WeakPolarHBondContact OE2-CE 3.3Å; E89-K92 IonicContact OE2-NZ 3.2Å; E89-K92 PolarHBondContact OE2-NZ 2.88Å; E89-R93 WeakPolarHBondContact O-CB 3.46Å; E89-R93 WeakPolarHBondContact O-CG 3.31Å; E89-R93 PolarHBondContact O-N 3.24Å; E89-R93 VanDerWaalsContact O-N 3.08Å; E89-R93 PolarHBondContact O-NE 3.05Å |
| 90 | V | 95.2 | Very high | 94.9 | Very high | 30 Ų | 30 | 43 Ų | 43 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.4 | -40.8 | 174.7 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L40 T86 C87 A88 R93 R94 | L40-V90 HydrophobicContact CD1-CB 4.2Å; L40-V90 HydrophobicContact CD1-CG1 3.64Å; L40-V90 HydrophobicContact CD2-CB 3.86Å; L40-V90 HydrophobicContact CD2-CG1 3.83Å; L40-V90 HydrophobicContact CG-CG1 4.37Å; T86-V90 WeakPolarHBondContact O-CG2 3.3Å; T86-V90 PolarHBondContact O-N 2.78Å; C87-V90 PolarHBondContact O-N 3.17Å; A88-V90 VanDerWaalsContact C-N 3.33Å; A88-V90 PolarHBondContact O-N 3.41Å; V90-R93 PolarHBondContact O-N 3.4Å; V90-R94 WeakPolarHBondContact O-CG 3.47Å; V90-R94 PolarHBondContact O-N 3.11Å; V90-R94 VanDerWaalsContact O-N 3.1Å |
| 91 | V | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -50.4 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | L40 A43 L44 L47 F74 C87 A88 R93 R94 L95 L98 L138 | L40-V91 HydrophobicContact CD2-CG2 3.9Å; A43-V91 HydrophobicContact CB-CG2 3.78Å; L44-V91 HydrophobicContact CD2-CG1 4.43Å; L44-V91 HydrophobicContact CD2-CG2 4.41Å; L47-V91 HydrophobicContact CD1-CG1 3.69Å; F74-V91 HydrophobicContact CE2-CG2 4.35Å; F74-V91 HydrophobicContact CZ-CG2 3.99Å; C87-V91 WeakPolarHBondContact O-CG2 3.36Å; C87-V91 PolarHBondContact O-N 3.42Å; A88-V91 PolarHBondContact O-N 2.9Å; V91-R93 VanDerWaalsContact C-N 3.26Å; V91-R93 PolarHBondContact O-N 2.98Å; V91-R94 PolarHBondContact O-N 3.32Å; V91-R94 VanDerWaalsContact O-N 3.07Å; V91-L95 HydrophobicContact CG1-CD1 4.16Å; V91-L95 PolarHBondContact O-N 3.18Å; V91-L98 HydrophobicContact CG1-CD1 3.9Å; V91-L138 HydrophobicContact CB-CD1 4.04Å; V91-L138 HydrophobicContact CG1-CD1 3.74Å |
| 92 | K | 93.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -33 | 176.9 | -69.4 | -168.4 | -59.5 | -178.8 | 0 | 113.6 | A88 E89 L95 L98 L138 Y156 | A88-K92 WeakPolarHBondContact O-CG 3.31Å; A88-K92 PolarHBondContact O-N 2.91Å; E89-K92 VanDerWaalsContact CD-NZ 3.29Å; E89-K92 WeakPolarHBondContact OE1-CE 3.34Å; E89-K92 IonicContact OE1-NZ 3.47Å; E89-K92 PolarHBondContact OE1-NZ 3.07Å; E89-K92 WeakPolarHBondContact OE2-CE 3.3Å; E89-K92 IonicContact OE2-NZ 3.2Å; E89-K92 PolarHBondContact OE2-NZ 2.88Å; K92-L95 CarbonylContact C-O 3.51Å; K92-L95 CarbonylContact O-C 3.55Å; K92-L98 HydrophobicContact CG-CB 4.36Å; K92-L98 HydrophobicContact CG-CD1 4.37Å; K92-L138 HydrophobicContact CD-CD2 3.9Å; K92-L138 HydrophobicContact CG-CD1 4.16Å; K92-L138 HydrophobicContact CG-CD2 3.81Å; K92-Y156 HydrophobicContact CB-CD1 4.25Å; K92-Y156 HydrophobicContact CB-CE1 3.38Å; K92-Y156 HydrophobicContact CD-CE1 4.09Å; K92-Y156 HydrophobicContact CG-CE1 4.31Å; K92-Y156 VanDerWaalsContact O-CE2 3.27Å; K92-Y156 WeakPolarHBondContact O-CE2 3.19Å; K92-Y156 PolarHBondContact O-OH 3.42Å |
| 93 | R | 91.5 | Very high | 94.9 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 52% | 0.517 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.9 | -36 | 174.3 | -85.7 | -177.3 | -88.5 | -170.6 | -9.6 | 112.9 | E89 V90 V91 K96 Y156 | E89-R93 WeakPolarHBondContact O-CB 3.46Å; E89-R93 WeakPolarHBondContact O-CG 3.31Å; E89-R93 PolarHBondContact O-N 3.24Å; E89-R93 VanDerWaalsContact O-N 3.08Å; E89-R93 PolarHBondContact O-NE 3.05Å; V90-R93 PolarHBondContact O-N 3.4Å; V91-R93 VanDerWaalsContact C-N 3.26Å; V91-R93 PolarHBondContact O-N 2.98Å; R93-K96 VanDerWaalsContact O-CE 3.26Å; R93-K96 WeakPolarHBondContact O-CE 3.18Å; R93-K96 PolarHBondContact O-NZ 2.81Å; R93-Y156 HydrophobicContact CG-CD1 4.26Å; R93-Y156 HydrophobicContact CG-CG 4.14Å |
| 94 | R | 91.5 | Very high | 94.8 | Very high | 155 Ų | 155 | 47.6 Ų | 47.6 | 59% | 0.585 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -80.7 | -37.1 | 178.1 | -68.5 | 177.9 | -178.9 | -147.2 | -1.9 | 112.4 | L44 V90 V91 | L44-R94 VanDerWaalsContact CD1-CD 3.44Å; L44-R94 HydrophobicContact CD2-CB 3.92Å; V90-R94 WeakPolarHBondContact O-CG 3.47Å; V90-R94 PolarHBondContact O-N 3.11Å; V90-R94 VanDerWaalsContact O-N 3.1Å; V91-R94 PolarHBondContact O-N 3.32Å; V91-R94 VanDerWaalsContact O-N 3.07Å |
| 95 | L | 90.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -113.4 | 97.4 | -179.6 | -56.2 | -178.7 | 0 | 0 | 0 | 109.2 | L44 L47 E48 V91 K92 L98 | L44-L95 HydrophobicContact CD2-CD1 3.95Å; L44-L95 HydrophobicContact CD2-CD2 4.5Å; L44-L95 HydrophobicContact CD2-CG 3.94Å; L47-L95 HydrophobicContact CB-CD1 3.42Å; L47-L95 VanDerWaalsContact CB-CD1 3.42Å; L47-L95 HydrophobicContact CD1-CD1 3.83Å; L47-L95 HydrophobicContact CG-CD1 4.29Å; E48-L95 HydrophobicContact CG-CD1 4.32Å; E48-L95 HydrophobicContact CG-CD2 3.62Å; V91-L95 HydrophobicContact CG1-CD1 4.16Å; V91-L95 PolarHBondContact O-N 3.18Å; K92-L95 CarbonylContact C-O 3.51Å; K92-L95 CarbonylContact O-C 3.55Å; L95-L98 HydrophobicContact CB-CD1 3.81Å; L95-L98 HydrophobicContact CB-CG 4.19Å; L95-L98 HydrophobicContact CD1-CD1 4.47Å; L95-L98 WeakPolarHBondContact O-CG 3.19Å |
| 96 | K | 89.8 | Confident | 94.4 | Very high | 128 Ų | 128 | 51.5 Ų | 51.5 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 158.2 | 177 | -51.9 | -56.3 | -171.3 | -169.6 | 0 | 110.1 | R93 Y156 | R93-K96 VanDerWaalsContact O-CE 3.26Å; R93-K96 WeakPolarHBondContact O-CE 3.18Å; R93-K96 PolarHBondContact O-NZ 2.81Å; K96-Y156 HydrophobicContact CD-CD2 3.63Å; K96-Y156 HydrophobicContact CD-CE2 3.55Å |
| 97 | G | 90.8 | Very high | 94.2 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 42% | 0.423 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 5.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P153 | G97-P153 WeakPolarHBondContact O-CG 3.42Š|
| 98 | L | 94.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | trans | -76.8 | 126 | 177 | -64.1 | -179.9 | 0 | 0 | 0 | 112 | L47 V91 K92 L95 L138 S139 R140 P153 | L47-L98 HydrophobicContact CD1-CD1 4.2Å; V91-L98 HydrophobicContact CG1-CD1 3.9Å; K92-L98 HydrophobicContact CG-CB 4.36Å; K92-L98 HydrophobicContact CG-CD1 4.37Å; L95-L98 HydrophobicContact CB-CD1 3.81Å; L95-L98 HydrophobicContact CB-CG 4.19Å; L95-L98 HydrophobicContact CD1-CD1 4.47Å; L95-L98 WeakPolarHBondContact O-CG 3.19Å; L98-L138 HydrophobicContact CD1-CB 4.35Å; L98-L138 HydrophobicContact CD1-CD1 4.2Å; L98-S139 CarbonylContact C-O 3.51Å; L98-S139 WeakPolarHBondContact CA-O 3.49Å; L98-R140 HydrophobicContact CD2-CG 3.66Å; L98-P153 WeakPolarHBondContact O-CA 3.48Å | ||
| 99 | H | 95.1 | Very high | 93.7 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 142.7 | 164.2 | -66.8 | -99.4 | 0 | 0 | 0 | 109 | L138 S139 L143 Y150 P153 | H99-L138 CarbonylContact O-C 3.57Å; H99-L138 WeakPolarHBondContact O-CA 3.49Å; H99-S139 PolarHBondContact N-O 2.83Å; H99-S139 PolarHBondContact O-N 3.43Å; H99-L143 HydrophobicContact CB-CD1 4.08Å; H99-L143 HydrophobicContact CB-CG 4.03Å; H99-Y150 HydrophobicContact CB-CE2 4.2Å; H99-Y150 PolarHBondContact CE1-OH 2.9Å; H99-Y150 AromaticContact ND1-CE2 3.63Å; H99-Y150 AromaticContact ND1-CZ 3.63Å; H99-Y150 PolarHBondContact ND1-OH 2.9Å; H99-P153 VanDerWaalsContact CE1-CD 3.41Å; H99-P153 WeakPolarHBondContact CE1-CD 3.39Å; H99-P153 WeakPolarHBondContact ND1-CD 3.21Å; H99-P153 WeakPolarHBondContact NE2-CG 3.46Å |
| 100 | Q | 96.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.3 | 176.5 | 170 | 175.6 | -35.4 | 0 | 0 | 110.6 | T102 I136 L137 L138 Y150 Q151 | Q100-T102 PolarHBondContact NE2-OG1 2.76Å; Q100-I136 HydrophobicContact CG-CG2 3.78Å; Q100-L137 CarbonylContact C-O 3.37Å; Q100-L137 VanDerWaalsContact CA-O 3.28Å; Q100-L137 WeakPolarHBondContact CA-O 3.4Å; Q100-L138 HydrophobicContact CB-CD2 3.9Å; Q100-L138 HydrophobicContact CG-CD2 4.14Å; Q100-Y150 CarbonylContact O-C 3.54Å; Q100-Y150 WeakPolarHBondContact O-CA 3.46Å; Q100-Y150 WeakPolarHBondContact O-CD2 3.43Å; Q100-Q151 HydrophobicContact CB-CB 4.17Å; Q100-Q151 PolarHBondContact N-O 3.22Å; Q100-Q151 PolarHBondContact O-N 2.94Å |
| 101 | L | 96.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.6 | 167.2 | 178.2 | 58.4 | 0 | 0 | 0 | 108.8 | F18 L137 L143 Q147 P148 | F18-L101 HydrophobicContact CD1-CD2 4.49Å; F18-L101 HydrophobicContact CE1-CB 4.29Å; F18-L101 HydrophobicContact CE1-CD2 3.68Å; F18-L101 HydrophobicContact CE1-CG 3.8Å; F18-L101 HydrophobicContact CZ-CG 4.22Å; L101-L137 HydrophobicContact CB-CB 4.35Å; L101-L137 PolarHBondContact N-O 3.47Å; L101-L137 PolarHBondContact O-N 2.79Å; L101-L143 HydrophobicContact CB-CD1 3.69Å; L101-Q147 HydrophobicContact CD1-CB 4.05Å; L101-Q147 VanDerWaalsContact CD2-OE1 3.26Å; L101-P148 WeakPolarHBondContact CD1-O 3.47Å |
| 102 | T | 97.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.6 | -176 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | Q100 V134 W135 I136 G149 | Q100-T102 PolarHBondContact NE2-OG1 2.76Å; T102-V134 HydrophobicContact CG2-CG2 3.77Å; T102-W135 CarbonylContact C-O 3.58Å; T102-W135 WeakPolarHBondContact CA-O 3.25Å; T102-I136 HydrophobicContact CG2-CG1 4.23Å; T102-G149 PolarHBondContact N-O 2.81Å |
| 103 | R | 96.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 52 Ų | 52 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.4 | 175 | -65 | -175.8 | 179.4 | -179.6 | 1.7 | 109.9 | P17 F18 W135 | P17-R103 HydrophobicContact CB-CB 4.19Å; P17-R103 HydrophobicContact CG-CB 3.68Å; P17-R103 HydrophobicContact CG-CG 4.45Å; P17-R103 PolarHBondContact O-NH1 2.72Å; F18-R103 HydrophobicContact CE1-CG 4.23Å; F18-R103 HydrophobicContact CE2-CB 4.22Å; F18-R103 HydrophobicContact CE2-CG 4.18Å; F18-R103 HydrophobicContact CZ-CB 4.27Å; F18-R103 HydrophobicContact CZ-CG 3.8Å; R103-W135 PolarHBondContact N-O 2.62Å; R103-W135 PolarHBondContact O-N 3.32Å |
| 104 | L | 95.6 | Very high | 93.3 | Very high | 145 Ų | 145 | 49.7 Ų | 49.7 | 76% | 0.759 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 144.4 | 174.6 | -59.5 | -175.8 | 0 | 0 | 0 | 109.9 | A133 V134 | L104-A133 WeakPolarHBondContact CA-O 3.33Å; L104-V134 HydrophobicContact CD2-CB 4.34Å; L104-V134 HydrophobicContact CD2-CG2 4Å |
| 105 | A | 93.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 43.6 Ų | 43.6 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A133 | A105-A133 HydrophobicContact CB-CB 4.2Å; A105-A133 PolarHBondContact N-O 3.25Å; A105-A133 PolarHBondContact O-N 3Å |
| 106 | Q | 92.7 | Very high | 93.1 | Very high | 127 Ų | 127 | 47.8 Ų | 47.8 | 59% | 0.593 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.3 | 169.2 | -65.3 | -176.5 | -38 | 0 | 0 | 108.7 | L131 | Q106-L131 WeakPolarHBondContact CA-O 2.97Å |
| 107 | S | 92.9 | Very high | 93 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 143.8 | 169.4 | 172.3 | 0 | 0 | 0 | 0 | 108.8 | K130 L131 | S107-K130 CarbonylContact O-C 3.58Å; S107-K130 WeakPolarHBondContact O-CA 3.28Å; S107-L131 PolarHBondContact N-O 3.05Å; S107-L131 PolarHBondContact O-N 3Å |
| 108 | T | 92.9 | Very high | 92.1 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135 | 179.1 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | Q12 L110 S128 | Q12-T108 VanDerWaalsContact CB-O 3.3Å; Q12-T108 WeakPolarHBondContact CB-O 3.22Å; Q12-T108 HydrophobicContact CG-CG2 4.4Å; Q12-T108 PolarHBondContact N-O 2.92Å; T108-L110 HydrophobicContact CG2-CD2 4.27Å; T108-S128 WeakPolarHBondContact CG2-OG 3.47Å |
| 109 | V | 92.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.3 | 172.9 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | V9 V10 E11 R129 L131 | V9-V109 HydrophobicContact CG1-CG1 3.19Å; V10-V109 WeakPolarHBondContact O-CA 3.48Å; E11-V109 HydrophobicContact CB-CG2 4.46Å; E11-V109 HydrophobicContact CG-CG2 3.99Å; V109-R129 PolarHBondContact N-O 2.92Å; V109-R129 PolarHBondContact O-N 3.41Å; V109-L131 HydrophobicContact CB-CD1 4.42Å; V109-L131 HydrophobicContact CG2-CD1 3.37Å; V109-L131 HydrophobicContact CG2-CG 3.79Å |
| 110 | L | 93.7 | Very high | 90.4 | Very high | 47 Ų | 47 | 56.8 Ų | 56.8 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 117.2 | 175.3 | -59.7 | -179.1 | 0 | 0 | 0 | 108.9 | V9 V10 Q12 T108 T126 | V9-L110 WeakPolarHBondContact CA-O 3.27Å; V10-L110 HydrophobicContact CB-CB 4.43Å; V10-L110 PolarHBondContact N-O 3.44Å; V10-L110 PolarHBondContact O-N 3.03Å; Q12-L110 HydrophobicContact CG-CD1 4.4Å; Q12-L110 HydrophobicContact CG-CG 4.3Å; T108-L110 HydrophobicContact CG2-CD2 4.27Å; L110-T126 HydrophobicContact CB-CG2 4.11Å; L110-T126 HydrophobicContact CD1-CG2 4.5Å; L110-T126 HydrophobicContact CD2-CG2 4.21Å |
| 111 | E | 93.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.7 | 170.2 | -59.3 | -172.2 | 167.3 | 0 | 0 | 108.4 | V9 W113 T126 V127 R129 | V9-E111 HydrophobicContact CG1-CG 4.48Å; V9-E111 HydrophobicContact CG2-CG 4.28Å; E111-W113 VanDerWaalsContact O-CD1 3.29Å; E111-W113 WeakPolarHBondContact OE2-CZ2 3.39Å; E111-W113 PolarHBondContact OE2-NE1 3.18Å; E111-T126 WeakPolarHBondContact O-CA 3.13Å; E111-V127 PolarHBondContact N-O 2.9Å; E111-V127 PolarHBondContact O-N 3.05Å; E111-R129 VanDerWaalsContact CD-NH1 3.29Å; E111-R129 WeakPolarHBondContact OE1-CD 3.47Å; E111-R129 IonicContact OE1-CZ 3.32Å; E111-R129 VanDerWaalsContact OE1-CZ 3.25Å; E111-R129 IonicContact OE1-NE 3.25Å; E111-R129 PolarHBondContact OE1-NE 3.23Å; E111-R129 IonicContact OE1-NH1 3.52Å; E111-R129 PolarHBondContact OE1-NH1 3.26Å; E111-R129 IonicContact OE2-CZ 2.69Å; E111-R129 IonicContact OE2-NE 3.62Å; E111-R129 PolarHBondContact OE2-NE 3.18Å; E111-R129 IonicContact OE2-NH1 3.24Å; E111-R129 PolarHBondContact OE2-NH1 2.94Å; E111-R129 VanDerWaalsContact OE2-NH1 3.17Å; E111-R129 IonicContact OE2-NH2 3.19Å; E111-R129 PolarHBondContact OE2-NH2 3.38Å |
| 112 | V | 92.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.6 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | A7 R8 L125 T126 | A7-V112 PolarHBondContact N-O 2.8Å; R8-V112 HydrophobicContact CG-CB 3.69Å; R8-V112 HydrophobicContact CG-CG2 3.93Å; R8-V112 PolarHBondContact N-O 2.92Å; R8-V112 PolarHBondContact O-N 3.42Å; V112-L125 CarbonylContact C-O 3.52Å; V112-L125 WeakPolarHBondContact CA-O 3.19Å; V112-T126 HydrophobicContact CG2-CG2 4.46Å |
| 113 | W | 91.8 | Very high | 88.8 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.4 | -177.4 | -64.6 | 77.5 | 0 | 0 | 0 | 108.8 | Y4 S5 R6 E111 S124 L125 | Y4-W113 HydrophobicContact CD1-CB 4.22Å; S5-W113 VanDerWaalsContact C-CE3 3.43Å; S5-W113 CarbonylContact O-C 3.57Å; S5-W113 VanDerWaalsContact O-CA 3.27Å; S5-W113 WeakPolarHBondContact O-CA 3.31Å; R6-W113 HydrophobicContact CB-CD2 4.04Å; R6-W113 HydrophobicContact CB-CE3 3.91Å; R6-W113 HydrophobicContact CB-CH2 3.77Å; R6-W113 HydrophobicContact CB-CZ2 3.89Å; R6-W113 HydrophobicContact CB-CZ3 3.78Å; R6-W113 HydrophobicContact CG-CD2 4.44Å; R6-W113 HydrophobicContact CG-CH2 4.45Å; R6-W113 HydrophobicContact CG-CZ2 4.09Å; R6-W113 VanDerWaalsContact N-CE3 3.33Å; E111-W113 VanDerWaalsContact O-CD1 3.29Å; E111-W113 WeakPolarHBondContact OE2-CZ2 3.39Å; E111-W113 PolarHBondContact OE2-NE1 3.18Å; W113-S124 CarbonylContact O-C 3.57Å; W113-S124 WeakPolarHBondContact O-CA 3.37Å; W113-L125 HydrophobicContact CB-CB 4.22Å; W113-L125 PolarHBondContact N-O 3.34Å; W113-L125 PolarHBondContact O-N 2.84Å |
| 114 | E | 90.8 | Very high | 88.3 | Confident | 88 Ų | 88 | 67.8 Ų | 67.8 | 41% | 0.411 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143 | 179.6 | -72.1 | 173.5 | -172.5 | 0 | 0 | 109.3 | Y4 S5 A7 R8 | Y4-E114 WeakPolarHBondContact CA-O 3.19Å; S5-E114 PolarHBondContact N-O 2.9Å; S5-E114 PolarHBondContact O-N 3.21Å; A7-E114 HydrophobicContact CB-CB 4.2Å; A7-E114 VanDerWaalsContact CB-CD 3.45Å; A7-E114 HydrophobicContact CB-CG 3.7Å; R8-E114 IonicContact NH1-OE1 2.72Å |
| 115 | P | 91.3 | Very high | 88.1 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 142.3 | 174 | -18.2 | 27.7 | 0 | 0 | 0 | 111.1 | N3 Y4 E117 L122 | N3-P115 WeakPolarHBondContact O-CA 3.43Å; Y4-P115 HydrophobicContact CD1-CG 4.47Å; Y4-P115 HydrophobicContact CE1-CB 4.36Å; Y4-P115 HydrophobicContact CE1-CG 3.91Å; P115-E117 VanDerWaalsContact C-N 3.3Å; P115-L122 HydrophobicContact CB-CB 3.86Å; P115-L122 HydrophobicContact CB-CD1 4.41Å; P115-L122 HydrophobicContact CG-CB 3.73Å; P115-L122 WeakPolarHBondContact CG-O 3.33Å |
| 116 | L | 86.8 | Confident | 88 | Confident | 106 Ų | 106 | 66.6 Ų | 66.6 | 56% | 0.555 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -66.6 | -35.1 | 175.4 | -70.1 | 173.2 | 0 | 0 | 0 | 112 | E2 N3 | E2-L116 WeakPolarHBondContact O-CD1 3.36Å; N3-L116 PolarHBondContact O-N 3.46Å |
| 117 | E | 85.9 | Confident | 88 | Confident | 142 Ų | 142 | 62.9 Ų | 62.9 | 66% | 0.664 | 40% | 0.397 | S | S | * | . | trans | -111.4 | 107.2 | 178.6 | -69.6 | -178.8 | -174.8 | 0 | 0 | 110.1 | P115 G119 A120 | P115-E117 VanDerWaalsContact C-N 3.3Å; E117-G119 PolarHBondContact O-N 3.07Å; E117-A120 HydrophobicContact CB-CB 3.92Å; E117-A120 WeakPolarHBondContact O-CB 3.31Å; E117-A120 PolarHBondContact O-N 2.74Å; E117-A120 VanDerWaalsContact O-N 3.12Å | ||
| 118 | A | 73.3 | Confident | 88.1 | Confident | 113 Ų | 113 | 66.2 Ų | 66.2 | 93% | 0.934 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 119 | G | 74.8 | Confident | 88.1 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 84% | 0.835 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E117 G121 | E117-G119 PolarHBondContact O-N 3.07Å; G119-G121 PolarHBondContact O-N 3.17Å |
| 120 | A | 78.7 | Confident | 88.1 | Confident | 49 Ų | 49 | 76.7 Ų | 76.7 | 41% | 0.405 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -75.9 | 0.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E117 L122 | E117-A120 HydrophobicContact CB-CB 3.92Å; E117-A120 WeakPolarHBondContact O-CB 3.31Å; E117-A120 PolarHBondContact O-N 2.74Å; E117-A120 VanDerWaalsContact O-N 3.12Å; A120-L122 HydrophobicContact CB-CD1 4.12Å; A120-L122 HydrophobicContact CB-CG 4.05Å; A120-L122 PolarHBondContact O-N 3.45Å |
| 121 | G | 81.2 | Confident | 88.2 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 76% | 0.763 | 46% | 0.46 | S | S | * | . | trans | 67.4 | 21.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G119 | G119-G121 PolarHBondContact O-N 3.17Š| ||
| 122 | L | 85.6 | Confident | 88.2 | Confident | 72 Ų | 72 | 80.6 Ų | 80.6 | 38% | 0.377 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -92.2 | 139.4 | 179.9 | -64.9 | 177.6 | 0 | 0 | 0 | 111.1 | N3 Y4 P115 A120 | N3-L122 HydrophobicContact CB-CD1 4.04Å; Y4-L122 HydrophobicContact CE2-CD1 4.43Å; P115-L122 HydrophobicContact CB-CB 3.86Å; P115-L122 HydrophobicContact CB-CD1 4.41Å; P115-L122 HydrophobicContact CG-CB 3.73Å; P115-L122 WeakPolarHBondContact CG-O 3.33Å; A120-L122 HydrophobicContact CB-CD1 4.12Å; A120-L122 HydrophobicContact CB-CG 4.05Å; A120-L122 PolarHBondContact O-N 3.45Å |
| 123 | D | 87.6 | Confident | 88.4 | Confident | 134 Ų | 134 | 80.4 Ų | 80.4 | 72% | 0.717 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 154.5 | 176.3 | -69.3 | -39.4 | 0 | 0 | 0 | 112.3 | Y4 | Y4-D123 WeakPolarHBondContact CE1-O 3.13Å; Y4-D123 PolarHBondContact OH-O 3.31Å |
| 124 | S | 87.5 | Confident | 88.6 | Confident | 76 Ų | 76 | 78.3 Ų | 78.3 | 53% | 0.531 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 136.3 | 171.4 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | W113 | W113-S124 CarbonylContact O-C 3.57Å; W113-S124 WeakPolarHBondContact O-CA 3.37Å |
| 125 | L | 90.5 | Very high | 89 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 32% | 0.319 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138 | -179.5 | -65.2 | 173.7 | 0 | 0 | 0 | 111.1 | M1 Y4 V112 W113 | M1-L125 HydrophobicContact CE-CD1 3.88Å; M1-L125 HydrophobicContact SD-CD1 3.74Å; Y4-L125 HydrophobicContact CD1-CD1 3.93Å; Y4-L125 HydrophobicContact CD1-CG 4.22Å; Y4-L125 HydrophobicContact CD2-CD1 3.95Å; Y4-L125 HydrophobicContact CE1-CB 4.36Å; Y4-L125 HydrophobicContact CE1-CD1 3.59Å; Y4-L125 HydrophobicContact CE1-CG 3.62Å; Y4-L125 HydrophobicContact CE2-CD1 3.6Å; Y4-L125 HydrophobicContact CE2-CG 4.43Å; Y4-L125 HydrophobicContact CG-CD1 4.1Å; V112-L125 CarbonylContact C-O 3.52Å; V112-L125 WeakPolarHBondContact CA-O 3.19Å; W113-L125 HydrophobicContact CB-CB 4.22Å; W113-L125 PolarHBondContact N-O 3.34Å; W113-L125 PolarHBondContact O-N 2.84Å |
| 126 | T | 92.1 | Very high | 89.3 | Confident | 87 Ų | 87 | 73.4 Ų | 73.4 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.7 | 171.9 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | L110 E111 V112 | L110-T126 HydrophobicContact CB-CG2 4.11Å; L110-T126 HydrophobicContact CD1-CG2 4.5Å; L110-T126 HydrophobicContact CD2-CG2 4.21Å; E111-T126 WeakPolarHBondContact O-CA 3.13Å; V112-T126 HydrophobicContact CG2-CG2 4.46Å |
| 127 | V | 93.1 | Very high | 89.8 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 30% | 0.297 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.2 | 179.2 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | E111 R129 | E111-V127 PolarHBondContact N-O 2.9Å; E111-V127 PolarHBondContact O-N 3.05Å; V127-R129 HydrophobicContact CG1-CG 4.38Å |
| 128 | S | 93.6 | Very high | 90.2 | Very high | 75 Ų | 75 | 61.8 Ų | 61.8 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.5 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | T108 | T108-S128 WeakPolarHBondContact CG2-OG 3.47Å |
| 129 | R | 93.7 | Very high | 91.2 | Very high | 122 Ų | 122 | 56.4 Ų | 56.4 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.4 | 175.4 | -65.1 | -174.9 | 177.1 | -178.5 | -5.7 | 109.9 | V109 E111 V127 | V109-R129 PolarHBondContact N-O 2.92Å; V109-R129 PolarHBondContact O-N 3.41Å; E111-R129 VanDerWaalsContact CD-NH1 3.29Å; E111-R129 WeakPolarHBondContact OE1-CD 3.47Å; E111-R129 IonicContact OE1-CZ 3.32Å; E111-R129 VanDerWaalsContact OE1-CZ 3.25Å; E111-R129 IonicContact OE1-NE 3.25Å; E111-R129 PolarHBondContact OE1-NE 3.23Å; E111-R129 IonicContact OE1-NH1 3.52Å; E111-R129 PolarHBondContact OE1-NH1 3.26Å; E111-R129 IonicContact OE2-CZ 2.69Å; E111-R129 IonicContact OE2-NE 3.62Å; E111-R129 PolarHBondContact OE2-NE 3.18Å; E111-R129 IonicContact OE2-NH1 3.24Å; E111-R129 PolarHBondContact OE2-NH1 2.94Å; E111-R129 VanDerWaalsContact OE2-NH1 3.17Å; E111-R129 IonicContact OE2-NH2 3.19Å; E111-R129 PolarHBondContact OE2-NH2 3.38Å; V127-R129 HydrophobicContact CG1-CG 4.38Å |
| 130 | K | 93.8 | Very high | 92 | Very high | 141 Ų | 141 | 56 Ų | 56 | 61% | 0.613 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127 | 174.2 | -62.9 | -172.6 | 177.7 | -174.3 | 0 | 109.8 | S107 | S107-K130 CarbonylContact O-C 3.58Å; S107-K130 WeakPolarHBondContact O-CA 3.28Å |
| 131 | L | 93.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 58.4 Ų | 58.4 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 142.5 | 173.7 | -61.5 | -173.3 | 0 | 0 | 0 | 110.3 | Q106 S107 V109 | Q106-L131 WeakPolarHBondContact CA-O 2.97Å; S107-L131 PolarHBondContact N-O 3.05Å; S107-L131 PolarHBondContact O-N 3Å; V109-L131 HydrophobicContact CB-CD1 4.42Å; V109-L131 HydrophobicContact CG2-CD1 3.37Å; V109-L131 HydrophobicContact CG2-CG 3.79Å |
| 132 | P | 94.8 | Very high | 93.1 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 57% | 0.571 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 141.3 | 168.8 | 29.1 | -34.2 | 0 | 0 | 0 | 109.5 | S77 G78 | S77-P132 CarbonylContact C-O 3.54Å; S77-P132 VanDerWaalsContact CA-O 3.28Å; S77-P132 WeakPolarHBondContact CA-O 3.35Å; G78-P132 PolarHBondContact N-O 3.32Å |
| 133 | A | 95.7 | Very high | 93.4 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A76 L104 A105 | A76-A133 CarbonylContact O-C 3.58Å; A76-A133 WeakPolarHBondContact O-CA 3.43Å; A76-A133 WeakPolarHBondContact O-CB 3.46Å; L104-A133 WeakPolarHBondContact CA-O 3.33Å; A105-A133 HydrophobicContact CB-CB 4.2Å; A105-A133 PolarHBondContact N-O 3.25Å; A105-A133 PolarHBondContact O-N 3Å |
| 134 | V | 96.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.9 | 177 | 70.8 | 0 | 0 | 0 | 0 | 109.5 | S75 A76 V81 A84 T102 L104 I136 | S75-V134 WeakPolarHBondContact CA-O 3.37Å; A76-V134 HydrophobicContact CB-CG1 4.16Å; A76-V134 PolarHBondContact N-O 3.17Å; A76-V134 PolarHBondContact O-N 2.8Å; V81-V134 HydrophobicContact CB-CG1 4.33Å; V81-V134 HydrophobicContact CG1-CB 4.27Å; V81-V134 HydrophobicContact CG1-CG1 3.89Å; V81-V134 HydrophobicContact CG2-CG1 4.19Å; A84-V134 HydrophobicContact CB-CG1 4.37Å; T102-V134 HydrophobicContact CG2-CG2 3.77Å; L104-V134 HydrophobicContact CD2-CB 4.34Å; L104-V134 HydrophobicContact CD2-CG2 4Å; V134-I136 HydrophobicContact CG2-CD1 4.25Å; V134-I136 HydrophobicContact CG2-CG1 3.81Å |
| 135 | W | 97.5 | Very high | 94 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.4 | 172.1 | -61.3 | 79.7 | 0 | 0 | 0 | 108.5 | C14 P17 F18 E27 L73 F74 S75 T102 R103 | C14-W135 HydrophobicContact CB-CZ2 4.22Å; P17-W135 VanDerWaalsContact CD-CD1 3.49Å; P17-W135 VanDerWaalsContact CD-CE2 3.47Å; P17-W135 VanDerWaalsContact CD-CG 3.42Å; P17-W135 HydrophobicContact CG-CB 3.94Å; P17-W135 HydrophobicContact CG-CD2 4.19Å; P17-W135 HydrophobicContact CG-CG 3.68Å; F18-W135 HydrophobicContact CD2-CB 4.14Å; F18-W135 HydrophobicContact CE2-CB 3.57Å; E27-W135 WeakPolarHBondContact OE1-CZ3 3.42Å; L73-W135 HydrophobicContact CD1-CB 4.48Å; L73-W135 HydrophobicContact CD1-CE3 4.22Å; L73-W135 HydrophobicContact CD2-CE3 3.72Å; L73-W135 HydrophobicContact CD2-CZ3 3.81Å; L73-W135 HydrophobicContact CG-CE3 4.04Å; L73-W135 HydrophobicContact CG-CZ3 4.47Å; F74-W135 CarbonylContact O-C 3.49Å; F74-W135 VanDerWaalsContact O-CA 3.3Å; F74-W135 WeakPolarHBondContact O-CA 3.36Å; S75-W135 VanDerWaalsContact CB-CE3 3.45Å; S75-W135 VanDerWaalsContact CB-CZ3 3.49Å; T102-W135 CarbonylContact C-O 3.58Å; T102-W135 WeakPolarHBondContact CA-O 3.25Å; R103-W135 PolarHBondContact N-O 2.62Å; R103-W135 PolarHBondContact O-N 3.32Å |
| 136 | I | 97.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 108.5 | -176.1 | -49.6 | 173.7 | 0 | 0 | 0 | 107.9 | F74 I85 A88 Q100 T102 V134 L138 | F74-I136 HydrophobicContact CB-CB 4.26Å; F74-I136 PolarHBondContact N-O 3.2Å; F74-I136 PolarHBondContact O-N 2.72Å; I85-I136 HydrophobicContact CG1-CD1 4.05Å; A88-I136 HydrophobicContact CB-CD1 3.97Å; A88-I136 HydrophobicContact CB-CG2 4.08Å; Q100-I136 HydrophobicContact CG-CG2 3.78Å; T102-I136 HydrophobicContact CG2-CG1 4.23Å; V134-I136 HydrophobicContact CG2-CD1 4.25Å; V134-I136 HydrophobicContact CG2-CG1 3.81Å; I136-L138 HydrophobicContact CG2-CD2 4.17Å |
| 137 | L | 96.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.4 | 170.8 | -179.2 | 68.6 | 0 | 0 | 0 | 108.6 | F18 L21 Q71 L73 Q100 L101 L143 | F18-L137 HydrophobicContact CD1-CB 4.44Å; F18-L137 HydrophobicContact CD1-CD2 4.17Å; F18-L137 HydrophobicContact CE1-CB 3.73Å; F18-L137 HydrophobicContact CE1-CD2 3.94Å; F18-L137 HydrophobicContact CE1-CG 4.46Å; F18-L137 HydrophobicContact CE2-CB 4.37Å; F18-L137 HydrophobicContact CZ-CB 3.69Å; L21-L137 HydrophobicContact CD1-CD1 4.27Å; L21-L137 HydrophobicContact CD2-CD1 4.08Å; L21-L137 HydrophobicContact CD2-CD2 3.95Å; Q71-L137 HydrophobicContact CB-CD1 4.2Å; L73-L137 HydrophobicContact CD1-CB 4.24Å; Q100-L137 CarbonylContact C-O 3.37Å; Q100-L137 VanDerWaalsContact CA-O 3.28Å; Q100-L137 WeakPolarHBondContact CA-O 3.4Å; L101-L137 HydrophobicContact CB-CB 4.35Å; L101-L137 PolarHBondContact N-O 3.47Å; L101-L137 PolarHBondContact O-N 2.79Å; L137-L143 HydrophobicContact CD2-CD1 4.14Å; L137-L143 HydrophobicContact CD2-CD2 4.23Å |
| 138 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.9 | 167.3 | -60.7 | -177 | 0 | 0 | 0 | 108.6 | Q71 L72 F74 A88 V91 K92 L98 H99 Q100 I136 | Q71-L138 CarbonylContact C-O 3.57Å; Q71-L138 VanDerWaalsContact CA-O 3.26Å; Q71-L138 WeakPolarHBondContact CA-O 3.46Å; L72-L138 PolarHBondContact N-O 2.93Å; L72-L138 PolarHBondContact O-N 3.44Å; F74-L138 HydrophobicContact CD2-CD1 4.35Å; F74-L138 HydrophobicContact CE2-CD1 3.91Å; A88-L138 HydrophobicContact CB-CD1 4.4Å; V91-L138 HydrophobicContact CB-CD1 4.04Å; V91-L138 HydrophobicContact CG1-CD1 3.74Å; K92-L138 HydrophobicContact CD-CD2 3.9Å; K92-L138 HydrophobicContact CG-CD1 4.16Å; K92-L138 HydrophobicContact CG-CD2 3.81Å; L98-L138 HydrophobicContact CD1-CB 4.35Å; L98-L138 HydrophobicContact CD1-CD1 4.2Å; H99-L138 CarbonylContact O-C 3.57Å; H99-L138 WeakPolarHBondContact O-CA 3.49Å; Q100-L138 HydrophobicContact CB-CD2 3.9Å; Q100-L138 HydrophobicContact CG-CD2 4.14Å; I136-L138 HydrophobicContact CG2-CD2 4.17Å |
| 139 | S | 94.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 139.8 | -178.1 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | S70 L98 H99 E141 | S70-S139 WeakPolarHBondContact O-CA 3.32Å; L98-S139 CarbonylContact C-O 3.51Å; L98-S139 WeakPolarHBondContact CA-O 3.49Å; H99-S139 PolarHBondContact N-O 2.83Å; H99-S139 PolarHBondContact O-N 3.43Å; S139-E141 WeakPolarHBondContact CB-O 3.12Å; S139-E141 PolarHBondContact OG-N 2.83Å; S139-E141 VanDerWaalsContact OG-N 3.1Å; S139-E141 PolarHBondContact OG-O 2.82Å |
| 140 | R | 91.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 57.2 Ų | 57.2 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -77.3 | -28.8 | 168.1 | -69.9 | -179.6 | 164.7 | -153.4 | -10.6 | 112.3 | L47 S70 L98 | L47-R140 PolarHBondContact O-NE 2.64Å; L47-R140 PolarHBondContact O-NH1 3.17Å; L47-R140 PolarHBondContact O-NH2 3.46Å; S70-R140 PolarHBondContact O-N 2.82Å; L98-R140 HydrophobicContact CD2-CG 3.66Å |
| 141 | E | 91.4 | Very high | 94.3 | Very high | 100 Ų | 100 | 54.4 Ų | 54.4 | 47% | 0.467 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -88.1 | 148.4 | 177.9 | -70.3 | 164.1 | -147.2 | 0 | 0 | 110 | S70 S139 L143 | S70-E141 VanDerWaalsContact CB-OE1 3.32Å; S70-E141 WeakPolarHBondContact CB-OE1 3.46Å; S70-E141 PolarHBondContact OG-OE1 3.07Å; S139-E141 WeakPolarHBondContact CB-O 3.12Å; S139-E141 PolarHBondContact OG-N 2.83Å; S139-E141 VanDerWaalsContact OG-N 3.1Å; S139-E141 PolarHBondContact OG-O 2.82Å; E141-L143 PolarHBondContact O-N 3.23Å |
| 142 | P | 91.7 | Very high | 94.3 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 68% | 0.682 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 133.8 | 175.3 | -25 | 34.5 | 0 | 0 | 0 | 112.1 | ||
| 143 | L | 92.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 161.2 | 167.9 | -55.3 | 173.3 | 0 | 0 | 0 | 108.6 | H99 L101 L137 E141 P145 Y150 | H99-L143 HydrophobicContact CB-CD1 4.08Å; H99-L143 HydrophobicContact CB-CG 4.03Å; L101-L143 HydrophobicContact CB-CD1 3.69Å; L137-L143 HydrophobicContact CD2-CD1 4.14Å; L137-L143 HydrophobicContact CD2-CD2 4.23Å; E141-L143 PolarHBondContact O-N 3.23Å; L143-P145 WeakPolarHBondContact O-CD 3.3Å; L143-Y150 HydrophobicContact CB-CD2 3.94Å; L143-Y150 HydrophobicContact CB-CE2 3.85Å |
| 144 | D | 93 | Very high | 93.1 | Very high | 80 Ų | 80 | 54.3 Ų | 54.3 | 43% | 0.428 | 31% | 0.313 | S | S | . | . | trans | -59 | 115.5 | 174.9 | 176.9 | 9 | 0 | 0 | 0 | 110.8 | E146 Q147 | D144-E146 PolarHBondContact O-N 2.66Å; D144-E146 PolarHBondContact OD1-N 3.41Å; D144-Q147 HydrophobicContact CB-CG 3.92Å; D144-Q147 PolarHBondContact O-N 3.4Å | ||
| 145 | P | 92.8 | Very high | 91.3 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.9 | -177.8 | -21.6 | 34.5 | 0 | 0 | 0 | 114.5 | L143 Q147 Y150 | L143-P145 WeakPolarHBondContact O-CD 3.3Å; P145-Q147 VanDerWaalsContact C-N 3.27Å; P145-Q147 PolarHBondContact O-N 2.85Å; P145-Y150 VanDerWaalsContact CA-CD1 3.46Å; P145-Y150 HydrophobicContact CB-CD1 4.06Å; P145-Y150 HydrophobicContact CB-CE1 3.81Å; P145-Y150 HydrophobicContact CG-CE1 4.34Å |
| 146 | E | 94 | Very high | 89.4 | Confident | 168 Ų | 168 | 66.3 Ų | 66.3 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -8.7 | -177.1 | -58.4 | -59 | 115.2 | 0 | 0 | 112.1 | D144 | D144-E146 PolarHBondContact O-N 2.66Å; D144-E146 PolarHBondContact OD1-N 3.41Å |
| 147 | Q | 92.9 | Very high | 87.4 | Confident | 58 Ų | 58 | 72.3 Ų | 72.3 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -68.7 | 135 | 177.8 | -75.9 | -172.4 | 58.4 | 0 | 0 | 111.8 | L101 D144 P145 G149 Y150 | L101-Q147 HydrophobicContact CD1-CB 4.05Å; L101-Q147 VanDerWaalsContact CD2-OE1 3.26Å; D144-Q147 HydrophobicContact CB-CG 3.92Å; D144-Q147 PolarHBondContact O-N 3.4Å; P145-Q147 VanDerWaalsContact C-N 3.27Å; P145-Q147 PolarHBondContact O-N 2.85Å; Q147-G149 PolarHBondContact O-N 2.77Å; Q147-Y150 VanDerWaalsContact O-CB 3.23Å; Q147-Y150 WeakPolarHBondContact O-CB 3.42Å; Q147-Y150 PolarHBondContact O-N 3.01Å; Q147-Y150 VanDerWaalsContact O-N 3.07Å |
| 148 | P | 93.3 | Very high | 85.2 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 75% | 0.753 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 132.1 | 175.2 | 25.9 | -33.9 | 0 | 0 | 0 | 110.6 | L101 Y150 | L101-P148 WeakPolarHBondContact CD1-O 3.47Å; P148-Y150 VanDerWaalsContact C-N 3.34Å |
| 149 | G | 94.4 | Very high | 83.2 | Confident | 42 Ų | 42 | 82.3 Ų | 82.3 | 43% | 0.433 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 5.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T102 Q147 | T102-G149 PolarHBondContact N-O 2.81Å; Q147-G149 PolarHBondContact O-N 2.77Å |
| 150 | Y | 95.8 | Very high | 81.1 | Confident | 51 Ų | 51 | 93.5 Ų | 93.5 | 20% | 0.2 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 142.6 | 168.6 | 174.7 | -103 | 0 | 0 | 0 | 111.4 | H99 Q100 L143 P145 Q147 P148 A152 | H99-Y150 HydrophobicContact CB-CE2 4.2Å; H99-Y150 PolarHBondContact CE1-OH 2.9Å; H99-Y150 AromaticContact ND1-CE2 3.63Å; H99-Y150 AromaticContact ND1-CZ 3.63Å; H99-Y150 PolarHBondContact ND1-OH 2.9Å; Q100-Y150 CarbonylContact O-C 3.54Å; Q100-Y150 WeakPolarHBondContact O-CA 3.46Å; Q100-Y150 WeakPolarHBondContact O-CD2 3.43Å; L143-Y150 HydrophobicContact CB-CD2 3.94Å; L143-Y150 HydrophobicContact CB-CE2 3.85Å; P145-Y150 VanDerWaalsContact CA-CD1 3.46Å; P145-Y150 HydrophobicContact CB-CD1 4.06Å; P145-Y150 HydrophobicContact CB-CE1 3.81Å; P145-Y150 HydrophobicContact CG-CE1 4.34Å; Q147-Y150 VanDerWaalsContact O-CB 3.23Å; Q147-Y150 WeakPolarHBondContact O-CB 3.42Å; Q147-Y150 PolarHBondContact O-N 3.01Å; Q147-Y150 VanDerWaalsContact O-N 3.07Å; P148-Y150 VanDerWaalsContact C-N 3.34Å; Y150-A152 HydrophobicContact CE1-CB 3.98Å |
| 151 | Q | 94.7 | Very high | 79 | Confident | 82 Ų | 82 | 92.6 Ų | 92.6 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 120 | 172.5 | -178.6 | -179.9 | 19.5 | 0 | 0 | 108.7 | Q100 | Q100-Q151 HydrophobicContact CB-CB 4.17Å; Q100-Q151 PolarHBondContact N-O 3.22Å; Q100-Q151 PolarHBondContact O-N 2.94Å |
| 152 | A | 92.3 | Very high | 76.8 | Confident | 55 Ų | 55 | 92.9 Ų | 92.9 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | trans | -64.4 | 156.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y150 G154 | Y150-A152 HydrophobicContact CE1-CB 3.98Å; A152-G154 PolarHBondContact O-N 3.26Å | ||
| 153 | P | 92.2 | Very high | 74.4 | Confident | 49 Ų | 49 | 97.8 Ų | 97.8 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | trans | -58.4 | 108.3 | 172.7 | -20.1 | 30.4 | 0 | 0 | 0 | 110.2 | G97 L98 H99 | G97-P153 WeakPolarHBondContact O-CG 3.42Å; L98-P153 WeakPolarHBondContact O-CA 3.48Å; H99-P153 VanDerWaalsContact CE1-CD 3.41Å; H99-P153 WeakPolarHBondContact CE1-CD 3.39Å; H99-P153 WeakPolarHBondContact ND1-CD 3.21Å; H99-P153 WeakPolarHBondContact NE2-CG 3.46Å | ||
| 154 | G | 74.7 | Confident | 72.4 | Confident | 38 Ų | 38 | 100 Ų | 100 | 39% | 0.392 | 56% | 0.555 | S | S | . | * | trans | -108.8 | 160 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A152 Y156 | A152-G154 PolarHBondContact O-N 3.26Å; G154-Y156 VanDerWaalsContact O-CD2 3.24Å; G154-Y156 WeakPolarHBondContact O-CD2 3.27Å; G154-Y156 WeakPolarHBondContact O-CE2 3.41Å; G154-Y156 PolarHBondContact O-N 2.91Å; G154-Y156 VanDerWaalsContact O-N 3.12Å | ||
| 155 | R | 58.5 | Low | 70.1 | Confident | 224 Ų | 224 | 100.4 Ų | 100.4 | 85% | 0.845 | 57% | 0.571 | S | S | * | * | trans | -71.1 | 101.7 | 170.1 | -74.8 | -176.5 | 174 | 177 | -1.3 | 109.6 | D157 A158 | R155-D157 PolarHBondContact O-N 3.16Å; R155-A158 PolarHBondContact O-N 3.01Å | ||
| 156 | Y | 57.9 | Low | 67.8 | Low | 41 Ų | 41 | 102.2 Ų | 102.2 | 16% | 0.161 | 59% | 0.585 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -57 | -9.4 | -178 | -56.9 | -75.1 | 0 | 0 | 0 | 116 | K92 R93 K96 G154 | K92-Y156 HydrophobicContact CB-CD1 4.25Å; K92-Y156 HydrophobicContact CB-CE1 3.38Å; K92-Y156 HydrophobicContact CD-CE1 4.09Å; K92-Y156 HydrophobicContact CG-CE1 4.31Å; K92-Y156 VanDerWaalsContact O-CE2 3.27Å; K92-Y156 WeakPolarHBondContact O-CE2 3.19Å; K92-Y156 PolarHBondContact O-OH 3.42Å; R93-Y156 HydrophobicContact CG-CD1 4.26Å; R93-Y156 HydrophobicContact CG-CG 4.14Å; K96-Y156 HydrophobicContact CD-CD2 3.63Å; K96-Y156 HydrophobicContact CD-CE2 3.55Å; G154-Y156 VanDerWaalsContact O-CD2 3.24Å; G154-Y156 WeakPolarHBondContact O-CD2 3.27Å; G154-Y156 WeakPolarHBondContact O-CE2 3.41Å; G154-Y156 PolarHBondContact O-N 2.91Å; G154-Y156 VanDerWaalsContact O-N 3.12Å |
| 157 | D | 55.2 | Low | 65.2 | Low | 129 Ų | 129 | 97 Ų | 97 | 69% | 0.69 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -14.7 | -175.4 | -51.8 | -41.8 | 0 | 0 | 0 | 112.8 | R155 A161 | R155-D157 PolarHBondContact O-N 3.16Å; D157-A161 PolarHBondContact O-N 3.18Å |
| 158 | A | 51.5 | Low | 62.9 | Low | 69 Ų | 69 | 100.6 Ų | 100.6 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -79.6 | -22.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R155 W160 | R155-A158 PolarHBondContact O-N 3.01Å; A158-W160 VanDerWaalsContact C-N 3.29Å; A158-W160 PolarHBondContact O-N 2.86Å |
| 159 | L | 52.4 | Low | 60.6 | Low | 145 Ų | 145 | 98.6 Ų | 98.6 | 76% | 0.759 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -76.5 | -15.5 | -176.2 | -71.6 | 169.6 | 0 | 0 | 0 | 113.8 | ||
| 160 | W | 51.1 | Low | 58 | Low | 236 Ų | 236 | 102.7 Ų | 102.7 | 89% | 0.894 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -123.4 | 12 | 175.9 | -59.7 | 110.6 | 0 | 0 | 0 | 112.6 | A158 P162 | A158-W160 VanDerWaalsContact C-N 3.29Å; A158-W160 PolarHBondContact O-N 2.86Å; W160-P162 WeakPolarHBondContact O-CD 3.46Å |
| 161 | A | 46.2 | Very low | 55.3 | Low | 51 Ų | 51 | 111.5 Ų | 111.5 | 42% | 0.421 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -63.5 | 121.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | D157 E163 | D157-A161 PolarHBondContact O-N 3.18Å; A161-E163 PolarHBondContact O-N 2.69Å; A161-E163 VanDerWaalsContact O-N 3.16Å |
| 162 | P | 45.1 | Very low | 52.8 | Low | 106 Ų | 106 | 114.5 Ų | 114.5 | 69% | 0.688 | 68% | 0.681 | S | S | * | * | trans | -54.8 | 128.3 | 170.5 | 22.7 | -30.3 | 0 | 0 | 0 | 107.1 | W160 G164 | W160-P162 WeakPolarHBondContact O-CD 3.46Å; P162-G164 PolarHBondContact O-N 3.12Å | ||
| 163 | E | 42.7 | Very low | 50.1 | Low | 209 Ų | 209 | 115.4 Ų | 115.4 | 98% | 0.977 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 109.9 | 171.9 | -73 | -168.2 | 132.6 | 0 | 0 | 107.7 | A161 | A161-E163 PolarHBondContact O-N 2.69Å; A161-E163 VanDerWaalsContact O-N 3.16Å |
| 164 | G | 49 | Very low | 47.8 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.3 | -14.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | P162 S166 | P162-G164 PolarHBondContact O-N 3.12Å; G164-S166 PolarHBondContact O-N 3.06Å |
| 165 | A | 45.2 | Very low | 46.5 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | -84.9 | 21.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G167 | A165-G167 PolarHBondContact O-N 3.34Š| ||
| 166 | S | 44 | Very low | 45.7 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -91 | 85.1 | 166.4 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | G164 | G164-S166 PolarHBondContact O-N 3.06Š| ||
| 167 | G | 40 | Very low | 45.1 | Very low | 60 Ų | 60 | 136.8 Ų | 136.8 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | trans | -124.6 | 133.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A165 G169 | A165-G167 PolarHBondContact O-N 3.34Å; G167-G169 PolarHBondContact O-N 3.21Å | ||
| 168 | P | 43.9 | Very low | 44.2 | Very low | 133 Ų | 133 | 137 Ų | 137 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -71 | 131 | 178.6 | 31.6 | -32 | 0 | 0 | 0 | 108.8 | ||||
| 169 | G | 45.1 | Very low | 43.4 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -67.1 | 166.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | G167 | G167-G169 PolarHBondContact O-N 3.21Š| ||
| 170 | P | 40 | Very low | 42.7 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -111.9 | 118.1 | 153.8 | 23.6 | -6.5 | 0 | 0 | 0 | 111.2 | ||||
| 171 | R | 40.6 | Very low | 42.1 | Very low | 236 Ų | 236 | 135.3 Ų | 135.3 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -13.7 | 129.6 | 148.5 | -58 | 168.8 | 81.6 | 179.9 | 4.8 | 115.6 | ||||
| 172 | T | 41.8 | Very low | 41.8 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -5.8 | 132.4 | 147.3 | 41.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 173 | G | 35.2 | Very low | 42 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -162.9 | 151 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 174 | P | 43.7 | Very low | 42.4 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -98.4 | 162.9 | -138.1 | 36.8 | -35 | 0 | 0 | 0 | 117.3 | ||||
| 175 | R | 48.6 | Very low | 41.9 | Very low | 242 Ų | 242 | 142.7 Ų | 142.7 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | -35.1 | 137.3 | 169.6 | -81.7 | 172.7 | 157.2 | 168.9 | -5.6 | 114.7 | ||||
| 176 | R | 40.4 | Very low | 41.9 | Very low | 247 Ų | 247 | 148.7 Ų | 148.7 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | trans | -128.3 | 130.5 | 141.7 | -89.4 | -171.9 | 173.4 | -146.5 | -0.5 | 111.1 | ||||
| 177 | H | 45.1 | Very low | 41.6 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -103.1 | 115.7 | -178.9 | -166.3 | -69.2 | 0 | 0 | 0 | 107.3 | ||||
| 178 | T | 36.9 | Very low | 41.7 | Very low | 133 Ų | 133 | 157 Ų | 157 | 82% | 0.816 | 85% | 0.854 | S | S | * | * | trans | -172.5 | 109.6 | 163.5 | 42.9 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 179 | G | 34 | Very low | 41.6 | Very low | 73 Ų | 73 | 158.2 Ų | 158.2 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | cis | 118.8 | 139.1 | 42.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 180 | R | 37.9 | Very low | 41.4 | Very low | 241 Ų | 241 | 162.6 Ų | 162.6 | 91% | 0.909 | 86% | 0.859 | S | S | * | * | trans | 103.6 | 91.5 | 153.7 | -150.1 | 166.8 | -174.2 | -175.7 | -0.3 | 118.9 | ||||
| 181 | S | 38.6 | Very low | 41.5 | Very low | 101 Ų | 101 | 164.5 Ų | 164.5 | 71% | 0.706 | 86% | 0.86 | S | S | * | * | 63.5 | 127.7 | 118.7 | -58.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 182 | R | 39.6 | Very low | 41.5 | Very low | 226 Ų | 226 | 160.3 Ų | 160.3 | 85% | 0.853 | 86% | 0.858 | S | S | * | * | 51.4 | 138.6 | 128.3 | -70.3 | -174 | 171.6 | 171.4 | -5.5 | 118 | |||||
| 183 | E | 48.8 | Very low | 41.5 | Very low | 166 Ų | 166 | 161.3 Ų | 161.3 | 78% | 0.776 | 86% | 0.856 | S | S | * | * | cis | -172 | 176.6 | 7.1 | -119.6 | -172.6 | 116.2 | 0 | 0 | 106.9 | ||||
| 184 | P | 51.8 | Low | 41.9 | Very low | 119 Ų | 119 | 167.1 Ų | 167.1 | 77% | 0.773 | 86% | 0.862 | S | S | * | * | trans | -89.3 | 147.8 | -170.9 | 36 | -32.8 | 0 | 0 | 0 | 113.7 | ||||
| 185 | G | 39.7 | Very low | 41.8 | Very low | 80 Ų | 80 | 169.6 Ų | 169.6 | 83% | 0.825 | 86% | 0.862 | S | S | * | * | trans | -119.1 | 119.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 186 | K | 43.5 | Very low | 41.3 | Very low | 217 Ų | 217 | 164 Ų | 164 | 94% | 0.943 | 86% | 0.859 | S | S | * | * | trans | -66.1 | 152.2 | 171.1 | -82.5 | 172.5 | 163.7 | 178.3 | 0 | 112.6 | ||||
| 187 | G | 38.9 | Very low | 41.4 | Very low | 73 Ų | 73 | 157.1 Ų | 157.1 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | trans | 96.7 | 104.5 | 130.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 188 | Q | 41.5 | Very low | 41 | Very low | 277 Ų | 277 | 155.1 Ų | 155.1 | 100% | 1.294 | 86% | 0.855 | S | S | * | * | -159 | 0 | 114 | -115.3 | 170.2 | 66.2 | 0 | 0 | 109.6 |
Retrieved 188 of 188 residues in 318.2 ms
(Link to these results)