| 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 | 37.1 | Very low | 47.7 | Very low | 189 Ų | 189 | 90.3 Ų | 90.3 | 93% | 0.931 | 54% | 0.537 | S | S | * | . | 0 | 117.2 | 0 | -78.8 | -177.2 | -95.9 | 0 | 0 | 106.3 | F29 | M1-F29 HydrophobicContact CB-CD1 4.41Å; M1-F29 HydrophobicContact CB-CE1 4.19Å; M1-F29 HydrophobicContact SD-CE1 4.43Å | |||
| 2 | S | 43.3 | Very low | 47.4 | Very low | 108 Ų | 108 | 95.3 Ų | 95.3 | 76% | 0.755 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 125.8 | 176.4 | 49.3 | 0 | 0 | 0 | 0 | 109.1 | T4 | S2-T4 PolarHBondContact O-N 2.71Š|
| 3 | A | 46.5 | Very low | 48.1 | Very low | 31 Ų | 31 | 97.7 Ų | 97.7 | 26% | 0.256 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -52.3 | 132.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S5 F29 | A3-S5 PolarHBondContact O-N 3.07Å; A3-F29 HydrophobicContact CB-CE2 3.86Å |
| 4 | T | 47.1 | Very low | 49.3 | Very low | 88 Ų | 88 | 94.6 Ų | 94.6 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 139.3 | 176.7 | -28 | 0 | 0 | 0 | 0 | 108.3 | S2 V6 N34 | S2-T4 PolarHBondContact O-N 2.71Å; T4-V6 PolarHBondContact O-N 3.14Å; T4-N34 PolarHBondContact OG1-ND2 2.9Å; T4-N34 PolarHBondContact OG1-OD1 3.08Å |
| 5 | S | 50.5 | Low | 51 | Low | 116 Ų | 116 | 92.3 Ų | 92.3 | 81% | 0.811 | 53% | 0.534 | S | S | * | . | trans | -53.2 | 111.6 | -178.7 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | A3 | A3-S5 PolarHBondContact O-N 3.07Š| ||
| 6 | V | 48.9 | Very low | 53.4 | Low | 39 Ų | 39 | 90.6 Ų | 90.6 | 24% | 0.236 | 52% | 0.52 | C | S | . | . | trans | -71.4 | 127.9 | 172.8 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | T4 D10 I11 F14 Y48 | T4-V6 PolarHBondContact O-N 3.14Å; V6-D10 HydrophobicContact CG1-CB 3.36Å; V6-I11 HydrophobicContact CB-CG1 4.1Å; V6-I11 HydrophobicContact CG1-CG1 3.7Å; V6-F14 HydrophobicContact CG1-CD2 4.15Å; V6-F14 HydrophobicContact CG1-CE2 3.82Å; V6-Y48 HydrophobicContact CB-CE2 4.04Å; V6-Y48 HydrophobicContact CG2-CD2 4.05Å; V6-Y48 HydrophobicContact CG2-CE2 3.81Å | ||
| 7 | S | 54 | Low | 55.6 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 36% | 0.357 | 49% | 0.494 | S | S | . | . | trans | -62.8 | 152.3 | 178.2 | 78.7 | 0 | 0 | 0 | 0 | 110.1 | E9 D10 I11 | S7-E9 PolarHBondContact O-N 2.71Å; S7-E9 VanDerWaalsContact O-N 3.07Å; S7-D10 WeakPolarHBondContact CB-OD2 3.11Å; S7-D10 PolarHBondContact O-N 3.27Å; S7-D10 PolarHBondContact OG-N 3.12Å; S7-D10 PolarHBondContact OG-OD2 2.78Å; S7-I11 WeakPolarHBondContact O-CG1 3.22Å; S7-I11 PolarHBondContact O-N 3.21Å | ||
| 8 | C | 50.2 | Low | 57.8 | Low | 108 Ų | 108 | 83.9 Ų | 83.9 | 73% | 0.73 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.1 | -29.5 | 177.7 | -70.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 9 | E | 48.1 | Very low | 59.8 | Low | 157 Ų | 157 | 79.5 Ų | 79.5 | 73% | 0.734 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70.4 | -40.9 | 176.2 | -65.7 | -178.7 | 173.3 | 0 | 0 | 111.4 | S7 L12 | S7-E9 PolarHBondContact O-N 2.71Å; S7-E9 VanDerWaalsContact O-N 3.07Å; E9-L12 PolarHBondContact O-N 3.38Å |
| 10 | D | 49.9 | Very low | 61.6 | Low | 77 Ų | 77 | 77.2 Ų | 77.2 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.3 | -34.2 | 177 | -63.6 | -44.8 | 0 | 0 | 0 | 112 | V6 S7 L12 N13 F14 | V6-D10 HydrophobicContact CG1-CB 3.36Å; S7-D10 WeakPolarHBondContact CB-OD2 3.11Å; S7-D10 PolarHBondContact O-N 3.27Å; S7-D10 PolarHBondContact OG-N 3.12Å; S7-D10 PolarHBondContact OG-OD2 2.78Å; D10-L12 PolarHBondContact O-N 3.23Å; D10-N13 WeakPolarHBondContact O-CB 3.43Å; D10-N13 PolarHBondContact O-N 3.03Å; D10-F14 HydrophobicContact CB-CE2 4.37Å; D10-F14 WeakPolarHBondContact O-CD2 3.23Å; D10-F14 PolarHBondContact O-N 3.49Å |
| 11 | I | 48.9 | Very low | 63.1 | Low | 29 Ų | 29 | 73.8 Ų | 73.8 | 15% | 0.149 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.7 | -36.6 | 176.8 | -64.3 | 174.6 | 0 | 0 | 0 | 111.3 | V6 S7 N13 F14 Y48 L49 | V6-I11 HydrophobicContact CB-CG1 4.1Å; V6-I11 HydrophobicContact CG1-CG1 3.7Å; S7-I11 WeakPolarHBondContact O-CG1 3.22Å; S7-I11 PolarHBondContact O-N 3.21Å; I11-N13 PolarHBondContact O-N 3.19Å; I11-F14 PolarHBondContact O-N 3.31Å; I11-Y48 HydrophobicContact CB-CD1 4.33Å; I11-Y48 HydrophobicContact CB-CE1 4.07Å; I11-Y48 HydrophobicContact CD1-CE1 3.49Å; I11-Y48 VanDerWaalsContact CD1-CE1 3.49Å; I11-Y48 WeakPolarHBondContact CD1-OH 3.26Å; I11-Y48 HydrophobicContact CG1-CD1 3.95Å; I11-Y48 HydrophobicContact CG1-CE1 3.34Å; I11-Y48 HydrophobicContact CG2-CD1 3.85Å; I11-Y48 HydrophobicContact CG2-CE1 3.69Å; I11-L49 HydrophobicContact CG2-CD1 3.86Å; I11-L49 HydrophobicContact CG2-CG 4.34Å |
| 12 | L | 44.4 | Very low | 65.8 | Low | 150 Ų | 150 | 67.3 Ų | 67.3 | 79% | 0.785 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.3 | -22 | 179 | -66.9 | 172.9 | 0 | 0 | 0 | 112.7 | E9 D10 | E9-L12 PolarHBondContact O-N 3.38Å; D10-L12 PolarHBondContact O-N 3.23Å |
| 13 | N | 56.1 | Low | 68.1 | Low | 127 Ų | 127 | 63.2 Ų | 63.2 | 68% | 0.679 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -83.8 | -14.7 | 175.9 | -63.9 | -37 | 0 | 0 | 0 | 112.5 | D10 I11 P15 | D10-N13 WeakPolarHBondContact O-CB 3.43Å; D10-N13 PolarHBondContact O-N 3.03Å; I11-N13 PolarHBondContact O-N 3.19Å; N13-P15 WeakPolarHBondContact O-CD 3.33Å |
| 14 | F | 65.5 | Low | 70.3 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -88.5 | 116.4 | 175.4 | -70.1 | -74.2 | 0 | 0 | 0 | 110.8 | V6 D10 I11 M16 Q46 | V6-F14 HydrophobicContact CG1-CD2 4.15Å; V6-F14 HydrophobicContact CG1-CE2 3.82Å; D10-F14 HydrophobicContact CB-CE2 4.37Å; D10-F14 WeakPolarHBondContact O-CD2 3.23Å; D10-F14 PolarHBondContact O-N 3.49Å; I11-F14 PolarHBondContact O-N 3.31Å; F14-M16 PolarHBondContact O-N 3.2Å; F14-Q46 HydrophobicContact CD1-CB 4.44Å; F14-Q46 HydrophobicContact CE1-CB 4.4Å |
| 15 | P | 75.1 | Confident | 72.2 | Confident | 61 Ų | 61 | 59.5 Ų | 59.5 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 129.7 | 177.6 | 26.8 | -35.3 | 0 | 0 | 0 | 110.3 | N13 R17 | N13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-R17 VanDerWaalsContact CG-CZ 3.44Å; P15-R17 VanDerWaalsContact CG-NH2 3.32Å; P15-R17 PolarHBondContact O-N 2.8Å |
| 16 | M | 88.2 | Confident | 74.1 | Confident | 64 Ų | 64 | 60.7 Ų | 60.7 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -61 | 133.3 | 169.9 | -175.7 | -174.1 | -63.6 | 0 | 0 | 109.9 | F14 L49 W51 I105 Y147 | F14-M16 PolarHBondContact O-N 3.2Å; M16-L49 WeakPolarHBondContact CA-O 3.44Å; M16-L49 HydrophobicContact CG-CB 4.34Å; M16-W51 HydrophobicContact CG-CB 4.01Å; M16-W51 HydrophobicContact SD-CB 3.71Å; M16-W51 HydrophobicContact SD-CD2 4.15Å; M16-W51 HydrophobicContact SD-CE3 3.71Å; M16-W51 HydrophobicContact SD-CG 4.19Å; M16-I105 HydrophobicContact CE-CD1 3.53Å; M16-I105 HydrophobicContact CE-CG1 3.93Å; M16-I105 HydrophobicContact CE-CG2 4.04Å; M16-I105 HydrophobicContact SD-CD1 4.18Å; M16-I105 HydrophobicContact SD-CG1 4.09Å; M16-Y147 PolarHBondContact O-OH 2.86Å |
| 17 | R | 91.8 | Very high | 76.1 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122 | 179.6 | -53.6 | -53.2 | -173.1 | -180 | -1.2 | 110.4 | P15 L19 Q46 V47 L49 V50 W51 Y147 | P15-R17 VanDerWaalsContact CG-CZ 3.44Å; P15-R17 VanDerWaalsContact CG-NH2 3.32Å; P15-R17 PolarHBondContact O-N 2.8Å; R17-L19 HydrophobicContact CB-CD1 4.13Å; R17-L19 HydrophobicContact CB-CD2 4.41Å; R17-L19 HydrophobicContact CB-CG 4.04Å; R17-Q46 PolarHBondContact NE-O 2.81Å; R17-Q46 VanDerWaalsContact NE-O 3.13Å; R17-Q46 PolarHBondContact NH2-O 3.07Å; R17-Q46 VanDerWaalsContact NH2-O 3.13Å; R17-V47 HydrophobicContact CB-CG2 4.2Å; R17-V47 HydrophobicContact CG-CB 4.05Å; R17-V47 HydrophobicContact CG-CG2 3.72Å; R17-L49 PolarHBondContact N-O 3.22Å; R17-V50 CarbonylContact O-C 3.5Å; R17-V50 VanDerWaalsContact O-CA 3.27Å; R17-V50 WeakPolarHBondContact O-CA 3.34Å; R17-W51 PolarHBondContact O-N 3.16Å; R17-Y147 WeakPolarHBondContact CD-OH 3.24Å; R17-Y147 PolarHBondContact NH1-OH 3.01Å |
| 18 | K | 95 | Very high | 77.8 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.9 | 169.4 | -59.2 | -178.5 | -173.3 | 174.3 | 0 | 107.8 | W51 W140 E143 V144 Y147 H148 | K18-W51 HydrophobicContact CG-CB 4.43Å; K18-W51 HydrophobicContact CG-CE3 4.25Å; K18-W140 HydrophobicContact CB-CH2 3.85Å; K18-W140 HydrophobicContact CB-CZ2 4.3Å; K18-W140 HydrophobicContact CD-CH2 4.24Å; K18-W140 HydrophobicContact CD-CZ3 4.22Å; K18-W140 HydrophobicContact CG-CH2 3.97Å; K18-W140 HydrophobicContact CG-CZ3 4.44Å; K18-E143 HydrophobicContact CD-CG 4.12Å; K18-E143 IonicContact NZ-OE1 2.65Å; K18-E143 PolarHBondContact NZ-OE1 3.05Å; K18-V144 HydrophobicContact CB-CG2 4.21Å; K18-Y147 HydrophobicContact CB-CD1 3.83Å; K18-Y147 HydrophobicContact CB-CE1 4.29Å; K18-Y147 HydrophobicContact CB-CG 4.12Å; K18-Y147 HydrophobicContact CD-CD2 4.48Å; K18-Y147 HydrophobicContact CD-CG 4.3Å; K18-Y147 HydrophobicContact CG-CD1 4.43Å; K18-Y147 HydrophobicContact CG-CG 4.36Å; K18-H148 PolarHBondContact O-NE2 3.2Å |
| 19 | L | 95.3 | Very high | 79.5 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -141.7 | 160.4 | -172.7 | -61.9 | 174.1 | 0 | 0 | 0 | 110.5 | R17 E23 L24 I38 V40 V50 W51 L52 | R17-L19 HydrophobicContact CB-CD1 4.13Å; R17-L19 HydrophobicContact CB-CD2 4.41Å; R17-L19 HydrophobicContact CB-CG 4.04Å; L19-E23 VanDerWaalsContact CA-OE2 3.24Å; L19-E23 WeakPolarHBondContact CA-OE2 3.44Å; L19-E23 HydrophobicContact CB-CB 4.49Å; L19-E23 HydrophobicContact CD2-CB 4.3Å; L19-L24 HydrophobicContact CD1-CD2 3.87Å; L19-I38 HydrophobicContact CD1-CD1 3.49Å; L19-I38 VanDerWaalsContact CD1-CD1 3.49Å; L19-I38 HydrophobicContact CD2-CD1 3.76Å; L19-I38 HydrophobicContact CG-CD1 4.29Å; L19-V40 HydrophobicContact CD2-CG2 4.48Å; L19-V50 HydrophobicContact CD1-CB 4.22Å; L19-V50 HydrophobicContact CD1-CG1 3.64Å; L19-W51 PolarHBondContact N-O 2.86Å; L19-W51 VanDerWaalsContact N-O 3.16Å; L19-L52 HydrophobicContact CB-CD2 4.17Å; L19-L52 WeakPolarHBondContact O-CD2 3.49Å | ||
| 20 | F | 95.6 | Very high | 81.3 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | trans | -90.3 | 159.9 | 158.2 | -66.2 | -64.2 | 0 | 0 | 0 | 111.7 | C22 E23 D76 M77 T78 W140 A141 V144 | F20-C22 VanDerWaalsContact C-N 3.29Å; F20-C22 PolarHBondContact O-N 2.93Å; F20-E23 HydrophobicContact CB-CG 4.26Å; F20-E23 PolarHBondContact N-OE2 2.96Å; F20-E23 WeakPolarHBondContact O-CB 3.46Å; F20-E23 PolarHBondContact O-N 3.08Å; F20-E23 VanDerWaalsContact O-N 3.13Å; F20-D76 VanDerWaalsContact CA-OD2 3.24Å; F20-D76 WeakPolarHBondContact CA-OD2 3.25Å; F20-M77 HydrophobicContact CE1-CE 3.68Å; F20-M77 HydrophobicContact CZ-CE 4.26Å; F20-T78 HydrophobicContact CB-CG2 3.69Å; F20-T78 WeakPolarHBondContact CB-OG1 3.48Å; F20-T78 HydrophobicContact CD1-CG2 3.71Å; F20-T78 HydrophobicContact CD2-CG2 4.08Å; F20-T78 HydrophobicContact CE1-CG2 4.24Å; F20-T78 HydrophobicContact CG-CG2 3.59Å; F20-W140 AromaticContact CE1-CD1 3.74Å; F20-A141 HydrophobicContact CE1-CB 4.5Å; F20-A141 HydrophobicContact CZ-CB 3.84Å; F20-V144 HydrophobicContact CD2-CG1 3.8Å; F20-V144 HydrophobicContact CE2-CB 4.09Å; F20-V144 HydrophobicContact CE2-CG1 3.74Å; F20-V144 HydrophobicContact CG-CG1 4.5Å; F20-V144 HydrophobicContact CZ-CB 4.28Å; F20-V144 HydrophobicContact CZ-CG1 4.38Å | ||
| 21 | C | 94.6 | Very high | 83 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -38.4 | -179.9 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | E23 L24 D76 T78 G79 | C21-E23 PolarHBondContact O-N 2.78Å; C21-L24 WeakPolarHBondContact O-CB 3.5Å; C21-L24 PolarHBondContact O-N 2.88Å; C21-D76 PolarHBondContact N-OD2 3.5Å; C21-D76 PolarHBondContact SG-OD2 3.02Å; C21-T78 PolarHBondContact N-OG1 3.46Å; C21-G79 WeakPolarHBondContact CB-O 3.31Å |
| 22 | C | 92.5 | Very high | 84.8 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -31.3 | 178.2 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | F20 L24 S25 T78 | F20-C22 VanDerWaalsContact C-N 3.29Å; F20-C22 PolarHBondContact O-N 2.93Å; C22-L24 VanDerWaalsContact C-N 3.32Å; C22-L24 PolarHBondContact O-N 2.81Å; C22-S25 WeakPolarHBondContact O-CB 3.49Å; C22-S25 PolarHBondContact O-N 3.03Å; C22-S25 PolarHBondContact O-OG 2.81Å; C22-T78 WeakPolarHBondContact CB-OG1 3.4Å; C22-T78 PolarHBondContact N-OG1 3.21Å; C22-T78 VanDerWaalsContact N-OG1 3.11Å; C22-T78 VanDerWaalsContact SG-CB 3.55Å; C22-T78 PolarHBondContact SG-OG1 3.08Å |
| 23 | E | 92.5 | Very high | 86.7 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.3 | -26.8 | -177.5 | -58.3 | -177.1 | 89.8 | 0 | 0 | 112.6 | L19 F20 C21 S25 Y26 I38 H148 | L19-E23 VanDerWaalsContact CA-OE2 3.24Å; L19-E23 WeakPolarHBondContact CA-OE2 3.44Å; L19-E23 HydrophobicContact CB-CB 4.49Å; L19-E23 HydrophobicContact CD2-CB 4.3Å; F20-E23 HydrophobicContact CB-CG 4.26Å; F20-E23 PolarHBondContact N-OE2 2.96Å; F20-E23 WeakPolarHBondContact O-CB 3.46Å; F20-E23 PolarHBondContact O-N 3.08Å; F20-E23 VanDerWaalsContact O-N 3.13Å; C21-E23 PolarHBondContact O-N 2.78Å; E23-S25 PolarHBondContact O-N 3.03Å; E23-S25 VanDerWaalsContact O-N 3.16Å; E23-Y26 WeakPolarHBondContact O-CB 3.31Å; E23-Y26 PolarHBondContact O-N 2.82Å; E23-I38 HydrophobicContact CB-CD1 4.25Å; E23-H148 IonicContact OE1-CE1 3.76Å; E23-H148 PolarHBondContact OE1-CE1 2.83Å; E23-H148 IonicContact OE1-ND1 3.57Å; E23-H148 IonicContact OE1-NE2 2.86Å; E23-H148 PolarHBondContact OE1-NE2 2.83Å; E23-H148 IonicContact OE2-CE1 2.6Å; E23-H148 PolarHBondContact OE2-CE1 3.2Å; E23-H148 VanDerWaalsContact OE2-CE1 3.24Å; E23-H148 IonicContact OE2-NE2 3.24Å |
| 24 | L | 92.1 | Very high | 88 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.6 | -28.4 | 176 | -66.2 | 172.1 | 0 | 0 | 0 | 111.3 | L19 C21 C22 Y26 V27 V50 L52 V81 V118 V120 | L19-L24 HydrophobicContact CD1-CD2 3.87Å; C21-L24 WeakPolarHBondContact O-CB 3.5Å; C21-L24 PolarHBondContact O-N 2.88Å; C22-L24 VanDerWaalsContact C-N 3.32Å; C22-L24 PolarHBondContact O-N 2.81Å; L24-Y26 PolarHBondContact O-N 3.23Å; L24-V27 HydrophobicContact CD2-CG2 4.16Å; L24-V27 VanDerWaalsContact O-CB 3.32Å; L24-V27 WeakPolarHBondContact O-CB 3.42Å; L24-V27 WeakPolarHBondContact O-CG2 3.47Å; L24-V27 PolarHBondContact O-N 3.09Å; L24-V50 HydrophobicContact CD2-CB 4.46Å; L24-V50 HydrophobicContact CD2-CG1 4Å; L24-V50 HydrophobicContact CD2-CG2 4.29Å; L24-L52 HydrophobicContact CD1-CD1 3.96Å; L24-L52 HydrophobicContact CD1-CD2 4.16Å; L24-V81 HydrophobicContact CD1-CB 3.98Å; L24-V81 HydrophobicContact CD1-CG1 3.9Å; L24-V81 HydrophobicContact CD1-CG2 3.77Å; L24-V118 HydrophobicContact CB-CB 4.37Å; L24-V118 WeakPolarHBondContact O-CG2 3.23Å; L24-V120 HydrophobicContact CD1-CG1 4.29Å |
| 25 | S | 87.9 | Confident | 89 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.1 | 174.6 | 74.1 | 0 | 0 | 0 | 0 | 114 | C22 E23 R28 | C22-S25 WeakPolarHBondContact O-CB 3.49Å; C22-S25 PolarHBondContact O-N 3.03Å; C22-S25 PolarHBondContact O-OG 2.81Å; E23-S25 PolarHBondContact O-N 3.03Å; E23-S25 VanDerWaalsContact O-N 3.16Å; S25-R28 PolarHBondContact O-NH1 3.32Å; S25-R28 PolarHBondContact O-NH2 3.42Å; S25-R28 VanDerWaalsContact O-NH2 3.13Å |
| 26 | Y | 89.1 | Confident | 89.7 | Confident | 140 Ų | 140 | 46.2 Ų | 46.2 | 55% | 0.549 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -0.3 | 175.1 | -56.3 | -65 | 0 | 0 | 0 | 113.9 | E23 L24 R28 | E23-Y26 WeakPolarHBondContact O-CB 3.31Å; E23-Y26 PolarHBondContact O-N 2.82Å; L24-Y26 PolarHBondContact O-N 3.23Å; Y26-R28 PolarHBondContact O-N 3.11Å |
| 27 | V | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -69.4 | 132.1 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | L24 W36 T37 I38 V47 V108 V111 V118 | L24-V27 HydrophobicContact CD2-CG2 4.16Å; L24-V27 VanDerWaalsContact O-CB 3.32Å; L24-V27 WeakPolarHBondContact O-CB 3.42Å; L24-V27 WeakPolarHBondContact O-CG2 3.47Å; L24-V27 PolarHBondContact O-N 3.09Å; V27-W36 HydrophobicContact CG1-CB 4.06Å; V27-W36 HydrophobicContact CG1-CD2 4.48Å; V27-W36 HydrophobicContact CG1-CE3 4.02Å; V27-T37 CarbonylContact C-O 3.58Å; V27-T37 VanDerWaalsContact CA-O 3.25Å; V27-T37 WeakPolarHBondContact CA-O 3.46Å; V27-I38 HydrophobicContact CG2-CB 4.12Å; V27-I38 HydrophobicContact CG2-CD1 3.9Å; V27-I38 HydrophobicContact CG2-CG1 4.1Å; V27-V47 HydrophobicContact CG1-CG1 4.21Å; V27-V47 HydrophobicContact CG2-CG1 4.45Å; V27-V108 HydrophobicContact CG1-CG1 3.85Å; V27-V108 HydrophobicContact CG1-CG2 4.45Å; V27-V111 HydrophobicContact CG1-CG2 4.28Å; V27-V118 HydrophobicContact CB-CG2 4.41Å | ||
| 28 | R | 89.2 | Confident | 89.7 | Confident | 109 Ų | 109 | 42.9 Ų | 42.9 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.8 | -179.6 | -61.2 | -65.9 | 176.7 | -94.2 | 1.3 | 110 | S25 Y26 W36 T37 G115 | S25-R28 PolarHBondContact O-NH1 3.32Å; S25-R28 PolarHBondContact O-NH2 3.42Å; S25-R28 VanDerWaalsContact O-NH2 3.13Å; Y26-R28 PolarHBondContact O-N 3.11Å; R28-W36 CarbonylContact O-C 3.58Å; R28-W36 WeakPolarHBondContact O-CA 3.42Å; R28-T37 PolarHBondContact N-O 3.35Å; R28-T37 PolarHBondContact O-N 2.8Å; R28-T37 PolarHBondContact O-OG1 2.87Å; R28-G115 PolarHBondContact NH2-O 3.43Å |
| 29 | F | 87.1 | Confident | 89.3 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 121.8 | 169.4 | -169.1 | -107.2 | 0 | 0 | 0 | 109.2 | M1 A3 N34 W36 | M1-F29 HydrophobicContact CB-CD1 4.41Å; M1-F29 HydrophobicContact CB-CE1 4.19Å; M1-F29 HydrophobicContact SD-CE1 4.43Å; A3-F29 HydrophobicContact CB-CE2 3.86Å; F29-N34 WeakPolarHBondContact CZ-OD1 3.5Å; F29-W36 HydrophobicContact CB-CE3 3.74Å; F29-W36 HydrophobicContact CB-CH2 4.12Å; F29-W36 HydrophobicContact CB-CZ3 3.49Å; F29-W36 VanDerWaalsContact CB-CZ3 3.49Å; F29-W36 HydrophobicContact CD2-CD2 4Å; F29-W36 HydrophobicContact CD2-CE3 4.04Å; F29-W36 HydrophobicContact CD2-CH2 4.31Å; F29-W36 HydrophobicContact CD2-CZ2 4.29Å; F29-W36 HydrophobicContact CD2-CZ3 4.2Å; F29-W36 HydrophobicContact CG-CE3 4.41Å; F29-W36 HydrophobicContact CG-CZ3 4.29Å |
| 30 | D | 86 | Confident | 88.7 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 110.2 | 169.9 | -174 | -34.1 | 0 | 0 | 0 | 108.5 | A32 L33 N34 S35 T37 | D30-A32 VanDerWaalsContact C-N 3.32Å; D30-A32 PolarHBondContact O-N 3.19Å; D30-A32 WeakPolarHBondContact OD1-CA 3.4Å; D30-A32 WeakPolarHBondContact OD1-CB 3.37Å; D30-A32 PolarHBondContact OD1-N 2.83Å; D30-L33 HydrophobicContact CB-CB 4.1Å; D30-L33 HydrophobicContact CB-CD1 4.31Å; D30-L33 HydrophobicContact CB-CG 4.38Å; D30-L33 PolarHBondContact O-N 3.19Å; D30-L33 PolarHBondContact OD1-N 2.79Å; D30-L33 WeakPolarHBondContact OD2-CD1 3.21Å; D30-N34 VanDerWaalsContact O-CA 3.32Å; D30-N34 WeakPolarHBondContact O-CA 3.42Å; D30-N34 PolarHBondContact O-N 2.98Å; D30-S35 PolarHBondContact N-O 2.91Å; D30-S35 PolarHBondContact O-N 2.89Å; D30-T37 HydrophobicContact CB-CG2 3.74Å |
| 31 | G | 85.6 | Confident | 87.9 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -24.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 32 | A | 86.6 | Confident | 87.3 | Confident | 98 Ų | 98 | 54.8 Ų | 54.8 | 81% | 0.81 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D30 | D30-A32 VanDerWaalsContact C-N 3.32Å; D30-A32 PolarHBondContact O-N 3.19Å; D30-A32 WeakPolarHBondContact OD1-CA 3.4Å; D30-A32 WeakPolarHBondContact OD1-CB 3.37Å; D30-A32 PolarHBondContact OD1-N 2.83Å |
| 33 | L | 84.3 | Confident | 86.9 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 45% | 0.445 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -9 | 174.4 | -61.4 | 177.1 | 0 | 0 | 0 | 113.5 | D30 S35 T37 Q46 | D30-L33 HydrophobicContact CB-CB 4.1Å; D30-L33 HydrophobicContact CB-CD1 4.31Å; D30-L33 HydrophobicContact CB-CG 4.38Å; D30-L33 PolarHBondContact O-N 3.19Å; D30-L33 PolarHBondContact OD1-N 2.79Å; D30-L33 WeakPolarHBondContact OD2-CD1 3.21Å; L33-S35 VanDerWaalsContact CB-OG 3.24Å; L33-S35 WeakPolarHBondContact CB-OG 3.23Å; L33-S35 PolarHBondContact O-N 3.28Å; L33-S35 PolarHBondContact O-OG 2.89Å; L33-T37 HydrophobicContact CD1-CG2 4.14Å; L33-Q46 HydrophobicContact CD1-CG 4.24Å |
| 34 | N | 83.9 | Confident | 86.7 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 41 | -173.2 | -171.5 | 40.2 | 0 | 0 | 0 | 112.8 | T4 F29 D30 | T4-N34 PolarHBondContact OG1-ND2 2.9Å; T4-N34 PolarHBondContact OG1-OD1 3.08Å; F29-N34 WeakPolarHBondContact CZ-OD1 3.5Å; D30-N34 VanDerWaalsContact O-CA 3.32Å; D30-N34 WeakPolarHBondContact O-CA 3.42Å; D30-N34 PolarHBondContact O-N 2.98Å |
| 35 | S | 86.1 | Confident | 86.4 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 159.9 | -173.7 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | D30 L33 Q46 | D30-S35 PolarHBondContact N-O 2.91Å; D30-S35 PolarHBondContact O-N 2.89Å; L33-S35 VanDerWaalsContact CB-OG 3.24Å; L33-S35 WeakPolarHBondContact CB-OG 3.23Å; L33-S35 PolarHBondContact O-N 3.28Å; L33-S35 PolarHBondContact O-OG 2.89Å; S35-Q46 PolarHBondContact OG-NE2 2.88Å |
| 36 | W | 89.5 | Confident | 86.5 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 140.8 | 169.7 | -57.1 | 107.4 | 0 | 0 | 0 | 109.8 | V27 R28 F29 Q46 V47 V108 V111 | V27-W36 HydrophobicContact CG1-CB 4.06Å; V27-W36 HydrophobicContact CG1-CD2 4.48Å; V27-W36 HydrophobicContact CG1-CE3 4.02Å; R28-W36 CarbonylContact O-C 3.58Å; R28-W36 WeakPolarHBondContact O-CA 3.42Å; F29-W36 HydrophobicContact CB-CE3 3.74Å; F29-W36 HydrophobicContact CB-CH2 4.12Å; F29-W36 HydrophobicContact CB-CZ3 3.49Å; F29-W36 VanDerWaalsContact CB-CZ3 3.49Å; F29-W36 HydrophobicContact CD2-CD2 4Å; F29-W36 HydrophobicContact CD2-CE3 4.04Å; F29-W36 HydrophobicContact CD2-CH2 4.31Å; F29-W36 HydrophobicContact CD2-CZ2 4.29Å; F29-W36 HydrophobicContact CD2-CZ3 4.2Å; F29-W36 HydrophobicContact CG-CE3 4.41Å; F29-W36 HydrophobicContact CG-CZ3 4.29Å; W36-Q46 WeakPolarHBondContact O-CA 3.26Å; W36-V47 HydrophobicContact CB-CG1 3.8Å; W36-V47 WeakPolarHBondContact CB-O 3.37Å; W36-V47 PolarHBondContact O-N 2.89Å; W36-V108 HydrophobicContact CB-CB 4.47Å; W36-V108 HydrophobicContact CB-CG1 4.35Å; W36-V108 HydrophobicContact CD2-CB 4.41Å; W36-V108 HydrophobicContact CD2-CG1 3.64Å; W36-V108 HydrophobicContact CE3-CG1 4.12Å; W36-V108 HydrophobicContact CG-CB 4Å; W36-V108 HydrophobicContact CG-CG1 3.73Å; W36-V108 HydrophobicContact CZ2-CG1 4.44Å; W36-V108 PolarHBondContact NE1-O 2.97Å; W36-V111 HydrophobicContact CE3-CG2 3.87Å; W36-V111 HydrophobicContact CH2-CB 4.16Å; W36-V111 HydrophobicContact CH2-CG2 3.86Å; W36-V111 HydrophobicContact CZ3-CB 3.79Å; W36-V111 HydrophobicContact CZ3-CG2 3.26Å |
| 37 | T | 90 | Very high | 86.4 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 152.8 | 176.5 | 62.3 | 0 | 0 | 0 | 0 | 109.9 | V27 R28 D30 L33 T44 F45 Q46 | V27-T37 CarbonylContact C-O 3.58Å; V27-T37 VanDerWaalsContact CA-O 3.25Å; V27-T37 WeakPolarHBondContact CA-O 3.46Å; R28-T37 PolarHBondContact N-O 3.35Å; R28-T37 PolarHBondContact O-N 2.8Å; R28-T37 PolarHBondContact O-OG1 2.87Å; D30-T37 HydrophobicContact CB-CG2 3.74Å; L33-T37 HydrophobicContact CD1-CG2 4.14Å; T37-T44 HydrophobicContact CG2-CG2 4.11Å; T37-F45 CarbonylContact C-O 3.48Å; T37-F45 WeakPolarHBondContact CA-O 3.18Å; T37-Q46 HydrophobicContact CG2-CG 4.43Å |
| 38 | I | 89.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144 | 174.2 | -170.1 | 169.9 | 0 | 0 | 0 | 109.2 | L19 E23 V27 V40 T44 F45 V47 | L19-I38 HydrophobicContact CD1-CD1 3.49Å; L19-I38 VanDerWaalsContact CD1-CD1 3.49Å; L19-I38 HydrophobicContact CD2-CD1 3.76Å; L19-I38 HydrophobicContact CG-CD1 4.29Å; E23-I38 HydrophobicContact CB-CD1 4.25Å; V27-I38 HydrophobicContact CG2-CB 4.12Å; V27-I38 HydrophobicContact CG2-CD1 3.9Å; V27-I38 HydrophobicContact CG2-CG1 4.1Å; I38-V40 HydrophobicContact CG1-CG2 4.34Å; I38-V40 HydrophobicContact CG2-CG2 4.28Å; I38-T44 WeakPolarHBondContact O-CA 3.24Å; I38-F45 HydrophobicContact CG2-CB 4.45Å; I38-F45 PolarHBondContact N-O 3.05Å; I38-F45 PolarHBondContact O-N 3.26Å; I38-V47 HydrophobicContact CB-CG1 4.18Å; I38-V47 HydrophobicContact CG2-CB 4.12Å; I38-V47 HydrophobicContact CG2-CG1 4.19Å |
| 39 | R | 87 | Confident | 86.3 | Confident | 161 Ų | 161 | 50.2 Ų | 50.2 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.5 | 174.3 | -164.3 | 175.7 | -171.9 | -173.1 | -3.6 | 110 | G42 K43 | R39-G42 PolarHBondContact NE-O 2.96Å; R39-G42 PolarHBondContact NH2-O 3.26Å; R39-K43 CarbonylContact C-O 3.59Å; R39-K43 VanDerWaalsContact CA-O 3.29Å; R39-K43 WeakPolarHBondContact CA-O 3.2Å |
| 40 | V | 82 | Confident | 86.7 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.2 | 176.2 | -179 | 0 | 0 | 0 | 0 | 107.3 | L19 I38 G42 K43 F45 H148 | L19-V40 HydrophobicContact CD2-CG2 4.48Å; I38-V40 HydrophobicContact CG1-CG2 4.34Å; I38-V40 HydrophobicContact CG2-CG2 4.28Å; V40-G42 PolarHBondContact O-N 2.81Å; V40-G42 VanDerWaalsContact O-N 3.15Å; V40-K43 PolarHBondContact N-O 2.89Å; V40-K43 PolarHBondContact O-N 3.38Å; V40-F45 HydrophobicContact CB-CD2 4.21Å; V40-F45 HydrophobicContact CB-CE2 4.09Å; V40-H148 HydrophobicContact CG1-CB 3.96Å |
| 41 | D | 79.4 | Confident | 87.2 | Confident | 115 Ų | 115 | 49 Ų | 49 | 62% | 0.615 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 44.6 | -178.5 | -63.9 | -27.8 | 0 | 0 | 0 | 114.3 | K43 | D41-K43 PolarHBondContact O-N 2.82Š|
| 42 | G | 82 | Confident | 87.8 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -14.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R39 V40 | R39-G42 PolarHBondContact NE-O 2.96Å; R39-G42 PolarHBondContact NH2-O 3.26Å; V40-G42 PolarHBondContact O-N 2.81Å; V40-G42 VanDerWaalsContact O-N 3.15Å |
| 43 | K | 85.2 | Confident | 88.3 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 147.6 | 178.2 | -69.1 | 179.5 | 174.2 | 179.2 | 0 | 111.7 | R39 V40 D41 F45 G152 T154 | R39-K43 CarbonylContact C-O 3.59Å; R39-K43 VanDerWaalsContact CA-O 3.29Å; R39-K43 WeakPolarHBondContact CA-O 3.2Å; V40-K43 PolarHBondContact N-O 2.89Å; V40-K43 PolarHBondContact O-N 3.38Å; D41-K43 PolarHBondContact O-N 2.82Å; K43-F45 HydrophobicContact CB-CD2 4.44Å; K43-F45 HydrophobicContact CB-CE2 3.57Å; K43-F45 HydrophobicContact CB-CZ 3.67Å; K43-F45 HydrophobicContact CD-CZ 4.13Å; K43-G152 PolarHBondContact NZ-O 3.38Å; K43-T154 PolarHBondContact NZ-O 2.63Å |
| 44 | T | 87.3 | Confident | 88.9 | Confident | 71 Ų | 71 | 38.8 Ų | 38.8 | 44% | 0.436 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.7 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | T37 I38 | T37-T44 HydrophobicContact CG2-CG2 4.11Å; I38-T44 WeakPolarHBondContact O-CA 3.24Å |
| 45 | F | 86.6 | Confident | 89.5 | Confident | 16 Ų | 16 | 36 Ų | 36 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.9 | 179.6 | -60 | -81.9 | 0 | 0 | 0 | 110.3 | T37 I38 V40 K43 L151 | T37-F45 CarbonylContact C-O 3.48Å; T37-F45 WeakPolarHBondContact CA-O 3.18Å; I38-F45 HydrophobicContact CG2-CB 4.45Å; I38-F45 PolarHBondContact N-O 3.05Å; I38-F45 PolarHBondContact O-N 3.26Å; V40-F45 HydrophobicContact CB-CD2 4.21Å; V40-F45 HydrophobicContact CB-CE2 4.09Å; K43-F45 HydrophobicContact CB-CD2 4.44Å; K43-F45 HydrophobicContact CB-CE2 3.57Å; K43-F45 HydrophobicContact CB-CZ 3.67Å; K43-F45 HydrophobicContact CD-CZ 4.13Å; F45-L151 HydrophobicContact CE1-CB 4.42Å; F45-L151 HydrophobicContact CE1-CD2 4.37Å; F45-L151 HydrophobicContact CE2-CB 4.3Å; F45-L151 HydrophobicContact CZ-CB 3.94Å |
| 46 | Q | 88.2 | Confident | 89.9 | Confident | 65 Ų | 65 | 35.6 Ų | 35.6 | 30% | 0.304 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 139.3 | 165.2 | -72.1 | 176.6 | -24.8 | 0 | 0 | 110 | F14 R17 L33 S35 W36 T37 | F14-Q46 HydrophobicContact CD1-CB 4.44Å; F14-Q46 HydrophobicContact CE1-CB 4.4Å; R17-Q46 PolarHBondContact NE-O 2.81Å; R17-Q46 VanDerWaalsContact NE-O 3.13Å; R17-Q46 PolarHBondContact NH2-O 3.07Å; R17-Q46 VanDerWaalsContact NH2-O 3.13Å; L33-Q46 HydrophobicContact CD1-CG 4.24Å; S35-Q46 PolarHBondContact OG-NE2 2.88Å; W36-Q46 WeakPolarHBondContact O-CA 3.26Å; T37-Q46 HydrophobicContact CG2-CG 4.43Å |
| 47 | V | 88.3 | Confident | 90 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137 | 177.8 | 59.9 | 0 | 0 | 0 | 0 | 108.8 | R17 V27 W36 I38 V50 V108 | R17-V47 HydrophobicContact CB-CG2 4.2Å; R17-V47 HydrophobicContact CG-CB 4.05Å; R17-V47 HydrophobicContact CG-CG2 3.72Å; V27-V47 HydrophobicContact CG1-CG1 4.21Å; V27-V47 HydrophobicContact CG2-CG1 4.45Å; W36-V47 HydrophobicContact CB-CG1 3.8Å; W36-V47 WeakPolarHBondContact CB-O 3.37Å; W36-V47 PolarHBondContact O-N 2.89Å; I38-V47 HydrophobicContact CB-CG1 4.18Å; I38-V47 HydrophobicContact CG2-CB 4.12Å; I38-V47 HydrophobicContact CG2-CG1 4.19Å; V47-V50 HydrophobicContact CG2-CG1 3.45Å; V47-V50 VanDerWaalsContact CG2-CG1 3.45Å; V47-V108 HydrophobicContact CG2-CG2 4.43Å |
| 48 | Y | 85.8 | Confident | 89.4 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 8% | 0.078 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -132.8 | -54.3 | 173.7 | -178.5 | -100 | 0 | 0 | 0 | 109.4 | V6 I11 E107 V108 | V6-Y48 HydrophobicContact CB-CE2 4.04Å; V6-Y48 HydrophobicContact CG2-CD2 4.05Å; V6-Y48 HydrophobicContact CG2-CE2 3.81Å; I11-Y48 HydrophobicContact CB-CD1 4.33Å; I11-Y48 HydrophobicContact CB-CE1 4.07Å; I11-Y48 HydrophobicContact CD1-CE1 3.49Å; I11-Y48 VanDerWaalsContact CD1-CE1 3.49Å; I11-Y48 WeakPolarHBondContact CD1-OH 3.26Å; I11-Y48 HydrophobicContact CG1-CD1 3.95Å; I11-Y48 HydrophobicContact CG1-CE1 3.34Å; I11-Y48 HydrophobicContact CG2-CD1 3.85Å; I11-Y48 HydrophobicContact CG2-CE1 3.69Å; Y48-E107 HydrophobicContact CE1-CG 4.44Å; Y48-E107 HydrophobicContact CE2-CG 4.12Å; Y48-E107 VanDerWaalsContact CZ-OE1 3.32Å; Y48-E107 WeakPolarHBondContact O-CA 3.31Å; Y48-E107 VanDerWaalsContact OH-CD 3.22Å; Y48-E107 PolarHBondContact OH-OE1 3.4Å; Y48-V108 PolarHBondContact O-N 3.16Å |
| 49 | L | 92.6 | Very high | 88.3 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.7 | 169.1 | -63.9 | 177.4 | 0 | 0 | 0 | 111.7 | I11 M16 R17 I105 C106 E107 K123 | I11-L49 HydrophobicContact CG2-CD1 3.86Å; I11-L49 HydrophobicContact CG2-CG 4.34Å; M16-L49 WeakPolarHBondContact CA-O 3.44Å; M16-L49 HydrophobicContact CG-CB 4.34Å; R17-L49 PolarHBondContact N-O 3.22Å; L49-I105 HydrophobicContact CB-CG2 4.29Å; L49-I105 HydrophobicContact CD1-CG2 4.35Å; L49-I105 HydrophobicContact CD2-CG2 4.2Å; L49-C106 CarbonylContact C-O 3.52Å; L49-C106 VanDerWaalsContact CA-O 3.27Å; L49-C106 WeakPolarHBondContact CA-O 3.24Å; L49-E107 HydrophobicContact CD2-CB 4.23Å; L49-K123 HydrophobicContact CD2-CG 4.11Å |
| 50 | V | 94.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 145.7 | 171.7 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | R17 L19 L24 V47 L52 I105 C106 V108 | R17-V50 CarbonylContact O-C 3.5Å; R17-V50 VanDerWaalsContact O-CA 3.27Å; R17-V50 WeakPolarHBondContact O-CA 3.34Å; L19-V50 HydrophobicContact CD1-CB 4.22Å; L19-V50 HydrophobicContact CD1-CG1 3.64Å; L24-V50 HydrophobicContact CD2-CB 4.46Å; L24-V50 HydrophobicContact CD2-CG1 4Å; L24-V50 HydrophobicContact CD2-CG2 4.29Å; V47-V50 HydrophobicContact CG2-CG1 3.45Å; V47-V50 VanDerWaalsContact CG2-CG1 3.45Å; V50-L52 HydrophobicContact CG2-CD1 4.39Å; V50-L52 HydrophobicContact CG2-CD2 4.47Å; V50-L52 HydrophobicContact CG2-CG 4.25Å; V50-I105 CarbonylContact O-C 3.59Å; V50-I105 VanDerWaalsContact O-CA 3.29Å; V50-I105 WeakPolarHBondContact O-CA 3.24Å; V50-C106 HydrophobicContact CG2-CB 3.77Å; V50-C106 PolarHBondContact N-O 3.42Å; V50-C106 PolarHBondContact O-N 3.45Å; V50-V108 HydrophobicContact CG1-CG2 4.18Å |
| 51 | W | 96.6 | Very high | 85 | Confident | 73 Ų | 73 | 48.4 Ų | 48.4 | 28% | 0.277 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.9 | 171.9 | -173.5 | -2.8 | 0 | 0 | 0 | 108.2 | M16 R17 K18 L19 S103 M104 I105 W140 | M16-W51 HydrophobicContact CG-CB 4.01Å; M16-W51 HydrophobicContact SD-CB 3.71Å; M16-W51 HydrophobicContact SD-CD2 4.15Å; M16-W51 HydrophobicContact SD-CE3 3.71Å; M16-W51 HydrophobicContact SD-CG 4.19Å; R17-W51 PolarHBondContact O-N 3.16Å; K18-W51 HydrophobicContact CG-CB 4.43Å; K18-W51 HydrophobicContact CG-CE3 4.25Å; L19-W51 PolarHBondContact N-O 2.86Å; L19-W51 VanDerWaalsContact N-O 3.16Å; W51-S103 PolarHBondContact NE1-OG 3.24Å; W51-M104 WeakPolarHBondContact CA-O 3.28Å; W51-I105 HydrophobicContact CG-CG1 4.5Å; W51-W140 HydrophobicContact CB-CH2 4.22Å; W51-W140 AromaticContact CD1-CH2 3.86Å; W51-W140 HydrophobicContact CD2-CH2 4.07Å; W51-W140 HydrophobicContact CD2-CZ3 4.25Å; W51-W140 AromaticContact CG-CH2 3.78Å; W51-W140 HydrophobicContact CG-CH2 3.78Å; W51-W140 HydrophobicContact CG-CZ3 4.4Å; W51-W140 VanDerWaalsContact O-CZ2 3.28Å; W51-W140 WeakPolarHBondContact O-CZ2 3.45Å |
| 52 | L | 97.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 154.3 | 179.1 | -49.6 | 173.5 | 0 | 0 | 0 | 110.1 | L19 L24 V50 F74 V81 M104 | L19-L52 HydrophobicContact CB-CD2 4.17Å; L19-L52 WeakPolarHBondContact O-CD2 3.49Å; L24-L52 HydrophobicContact CD1-CD1 3.96Å; L24-L52 HydrophobicContact CD1-CD2 4.16Å; V50-L52 HydrophobicContact CG2-CD1 4.39Å; V50-L52 HydrophobicContact CG2-CD2 4.47Å; V50-L52 HydrophobicContact CG2-CG 4.25Å; L52-F74 HydrophobicContact CB-CD1 4.19Å; L52-F74 HydrophobicContact CB-CE1 3.46Å; L52-F74 VanDerWaalsContact CB-CE1 3.46Å; L52-F74 HydrophobicContact CB-CZ 3.86Å; L52-F74 HydrophobicContact CD1-CD1 4.16Å; L52-F74 HydrophobicContact CD1-CE1 4.28Å; L52-V81 HydrophobicContact CD1-CG1 4.21Å; L52-M104 PolarHBondContact N-O 2.86Å; L52-M104 PolarHBondContact O-N 2.95Å |
| 53 | Q | 97.6 | Very high | 81.9 | Confident | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.3 | 170.9 | -169.8 | 177.1 | -81.4 | 0 | 0 | 109.4 | F74 D76 Y101 L128 L136 W140 | Q53-F74 VanDerWaalsContact C-CZ 3.42Å; Q53-D76 VanDerWaalsContact O-CB 3.31Å; Q53-D76 WeakPolarHBondContact O-CB 3.47Å; Q53-Y101 HydrophobicContact CG-CE2 4.31Å; Q53-Y101 PolarHBondContact NE2-OH 2.86Å; Q53-L128 VanDerWaalsContact CD-CD1 3.43Å; Q53-L128 HydrophobicContact CG-CD1 3.42Å; Q53-L128 VanDerWaalsContact CG-CD1 3.42Å; Q53-L136 VanDerWaalsContact NE2-C 3.31Å; Q53-L136 PolarHBondContact NE2-O 3.34Å; Q53-W140 HydrophobicContact CB-CB 4.48Å; Q53-W140 HydrophobicContact CB-CD2 3.71Å; Q53-W140 HydrophobicContact CB-CE3 4.26Å; Q53-W140 HydrophobicContact CB-CG 3.79Å; Q53-W140 HydrophobicContact CB-CZ2 4.45Å |
| 54 | G | 97.2 | Very high | 80.2 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.8 | -167.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F74 T75 Y101 C102 | G54-F74 VanDerWaalsContact CA-CZ 3.43Å; G54-T75 CarbonylContact C-O 3.48Å; G54-T75 WeakPolarHBondContact CA-O 3.31Å; G54-Y101 VanDerWaalsContact O-CD2 3.26Å; G54-Y101 WeakPolarHBondContact O-CD2 3.13Å; G54-C102 PolarHBondContact N-O 2.9Å; G54-C102 PolarHBondContact O-N 2.64Å; G54-C102 VanDerWaalsContact O-O 3.05Å |
| 55 | S | 96.6 | Very high | 78.5 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 142 | -176 | -77.9 | 0 | 0 | 0 | 0 | 112 | F74 T75 E99 | S55-F74 WeakPolarHBondContact O-CA 3.4Å; S55-T75 PolarHBondContact N-O 3.45Å; S55-T75 PolarHBondContact O-N 3.22Å; S55-E99 VanDerWaalsContact CB-O 3.23Å; S55-E99 WeakPolarHBondContact CB-O 3.46Å; S55-E99 PolarHBondContact OG-O 2.92Å |
| 56 | L | 94.9 | Very high | 77 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135.7 | 170.9 | -69.7 | 177.6 | 0 | 0 | 0 | 112.4 | V72 F73 F74 V93 L96 N100 M104 L125 | L56-V72 HydrophobicContact CD2-CB 4.43Å; L56-V72 HydrophobicContact CD2-CG2 3.59Å; L56-F73 CarbonylContact C-O 3.6Å; L56-F73 WeakPolarHBondContact CA-O 3.41Å; L56-F74 HydrophobicContact CD2-CB 3.96Å; L56-F74 HydrophobicContact CD2-CD2 3.59Å; L56-F74 HydrophobicContact CD2-CG 4.27Å; L56-F74 HydrophobicContact CG-CD2 4.08Å; L56-V93 HydrophobicContact CD1-CG1 4.44Å; L56-V93 HydrophobicContact CD1-CG2 4.17Å; L56-L96 HydrophobicContact CD1-CD1 3.72Å; L56-N100 HydrophobicContact CB-CB 3.95Å; L56-N100 PolarHBondContact N-O 3.31Å; L56-N100 VanDerWaalsContact O-CB 3.31Å; L56-N100 WeakPolarHBondContact O-CB 3.43Å; L56-N100 PolarHBondContact O-ND2 3.16Å; L56-M104 HydrophobicContact CD2-CE 4.39Å; L56-L125 HydrophobicContact CD1-CD1 3.66Å |
| 57 | S | 91 | Very high | 76 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.6 | 167.2 | 53 | 0 | 0 | 0 | 0 | 110.1 | V72 F73 | S57-V72 WeakPolarHBondContact O-CB 3.3Å; S57-F73 PolarHBondContact N-O 3.45Å; S57-F73 PolarHBondContact O-N 3.11Å; S57-F73 WeakPolarHBondContact OG-CB 3.24Å |
| 58 | V | 78 | Confident | 75.7 | Confident | 102 Ų | 102 | 66.4 Ų | 66.4 | 62% | 0.618 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 143.4 | -178.9 | -178 | 0 | 0 | 0 | 0 | 109.4 | S60 | V58-S60 PolarHBondContact O-N 3.36Å; V58-S60 VanDerWaalsContact O-N 3.14Å |
| 59 | F | 67.1 | Low | 75.7 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 24% | 0.237 | 38% | 0.38 | C | S | . | . | trans | -64.5 | 113.2 | 165 | -79.3 | -95.4 | 0 | 0 | 0 | 108.6 | D61 N71 V72 F73 R82 | F59-D61 PolarHBondContact O-N 3.11Å; F59-N71 VanDerWaalsContact CD2-C 3.42Å; F59-N71 HydrophobicContact CD2-CB 3.89Å; F59-N71 WeakPolarHBondContact CD2-O 3.37Å; F59-N71 HydrophobicContact CE2-CB 3.98Å; F59-V72 WeakPolarHBondContact CE2-O 3.28Å; F59-F73 HydrophobicContact CD1-CD2 4.16Å; F59-F73 AromaticContact CD1-CE2 3.6Å; F59-F73 HydrophobicContact CD1-CE2 3.6Å; F59-F73 HydrophobicContact CD1-CZ 4.24Å; F59-F73 HydrophobicContact CD2-CD2 4.24Å; F59-F73 HydrophobicContact CD2-CE2 4.41Å; F59-F73 AromaticContact CE1-CD2 3.8Å; F59-F73 HydrophobicContact CE1-CD2 3.8Å; F59-F73 HydrophobicContact CE1-CE1 4.12Å; F59-F73 AromaticContact CE1-CE2 3.04Å; F59-F73 HydrophobicContact CE1-CE2 3.04Å; F59-F73 AromaticContact CE1-CZ 3.24Å; F59-F73 HydrophobicContact CE1-CZ 3.24Å; F59-F73 HydrophobicContact CE2-CD1 4.43Å; F59-F73 AromaticContact CE2-CD2 3.9Å; F59-F73 HydrophobicContact CE2-CD2 3.9Å; F59-F73 HydrophobicContact CE2-CE1 4.47Å; F59-F73 AromaticContact CE2-CE2 3.98Å; F59-F73 HydrophobicContact CE2-CE2 3.98Å; F59-F73 HydrophobicContact CE2-CG 4.16Å; F59-F73 HydrophobicContact CE2-CZ 4.27Å; F59-F73 HydrophobicContact CG-CD2 4.37Å; F59-F73 HydrophobicContact CG-CE2 4.27Å; F59-F73 HydrophobicContact CZ-CD1 4.03Å; F59-F73 AromaticContact CZ-CD2 3.66Å; F59-F73 HydrophobicContact CZ-CD2 3.66Å; F59-F73 AromaticContact CZ-CE1 3.65Å; F59-F73 HydrophobicContact CZ-CE1 3.65Å; F59-F73 AromaticContact CZ-CE2 3.26Å; F59-F73 HydrophobicContact CZ-CE2 3.26Å; F59-F73 HydrophobicContact CZ-CG 4.04Å; F59-F73 AromaticContact CZ-CZ 3.26Å; F59-F73 HydrophobicContact CZ-CZ 3.26Å; F59-R82 HydrophobicContact CE2-CG 4.09Å; F59-R82 HydrophobicContact CZ-CG 4.03Å | ||
| 60 | S | 51.1 | Low | 75.4 | Confident | 108 Ų | 108 | 68 Ų | 68 | 76% | 0.755 | 39% | 0.392 | S | S | * | . | trans | -76.9 | 78.9 | 162.9 | 59.5 | 0 | 0 | 0 | 0 | 107.9 | V58 | V58-S60 PolarHBondContact O-N 3.36Å; V58-S60 VanDerWaalsContact O-N 3.14Å | ||
| 61 | D | 47.9 | Very low | 75.1 | Confident | 145 Ų | 145 | 69 Ų | 69 | 78% | 0.775 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 177 | 151.9 | 154.7 | -91.7 | -24.9 | 0 | 0 | 0 | 110.5 | F59 D63 | F59-D61 PolarHBondContact O-N 3.11Å; D61-D63 PolarHBondContact O-N 3.22Å |
| 62 | D | 46.9 | Very low | 74.8 | Confident | 167 Ų | 167 | 65.7 Ų | 65.7 | 89% | 0.893 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -45.5 | 14 | -165.2 | -88.9 | -38.8 | 0 | 0 | 0 | 120.7 | Q64 | D62-Q64 PolarHBondContact O-N 3.25Š|
| 63 | D | 48.7 | Very low | 74.6 | Confident | 113 Ų | 113 | 69.3 Ų | 69.3 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | trans | -85.2 | 53.1 | 175.8 | -91.3 | -14.4 | 0 | 0 | 0 | 112.5 | D61 T65 N71 | D61-D63 PolarHBondContact O-N 3.22Å; D63-T65 HydrophobicContact CB-CG2 4.42Å; D63-T65 PolarHBondContact O-N 3.26Å; D63-N71 PolarHBondContact O-ND2 2.71Å | ||
| 64 | Q | 49.3 | Very low | 74.5 | Confident | 161 Ų | 161 | 68.4 Ų | 68.4 | 75% | 0.752 | 40% | 0.397 | S | S | * | . | trans | -68 | 72.3 | 156.2 | -87.4 | -168.4 | 63.6 | 0 | 0 | 108.9 | D62 S66 | D62-Q64 PolarHBondContact O-N 3.25Å; Q64-S66 VanDerWaalsContact C-N 3.34Å; Q64-S66 PolarHBondContact O-N 2.64Å | ||
| 65 | T | 52.2 | Low | 74.4 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | trans | -67.4 | 96.1 | 170.8 | 56.1 | 0 | 0 | 0 | 0 | 107.9 | D63 N71 | D63-T65 HydrophobicContact CB-CG2 4.42Å; D63-T65 PolarHBondContact O-N 3.26Å; T65-N71 PolarHBondContact OG1-ND2 3.5Å | ||
| 66 | S | 55.8 | Low | 74.4 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 42% | 0.42 | 41% | 0.407 | S | S | . | . | trans | 74.9 | 138.1 | 175.9 | -175.5 | 0 | 0 | 0 | 0 | 116 | Q64 S68 A69 | Q64-S66 VanDerWaalsContact C-N 3.34Å; Q64-S66 PolarHBondContact O-N 2.64Å; S66-S68 PolarHBondContact O-N 2.78Å; S66-S68 PolarHBondContact OG-N 3.02Å; S66-S68 PolarHBondContact OG-OG 3.43Å; S66-A69 PolarHBondContact O-N 3.47Å; S66-A69 VanDerWaalsContact O-O 3.14Å | ||
| 67 | P | 67 | Low | 74.4 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 77% | 0.773 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -6.5 | 172.6 | 26.5 | -35.9 | 0 | 0 | 0 | 114 | ||
| 68 | S | 81.9 | Confident | 74.6 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 49% | 0.49 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -9.8 | -177.1 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | S66 Y87 | S66-S68 PolarHBondContact O-N 2.78Å; S66-S68 PolarHBondContact OG-N 3.02Å; S66-S68 PolarHBondContact OG-OG 3.43Å; S68-Y87 VanDerWaalsContact O-CB 3.27Å; S68-Y87 WeakPolarHBondContact O-CB 3.22Å; S68-Y87 PolarHBondContact O-N 2.92Å |
| 69 | A | 84.8 | Confident | 75.3 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 164.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S66 I84 I85 | S66-A69 PolarHBondContact O-N 3.47Å; S66-A69 VanDerWaalsContact O-O 3.14Å; A69-I84 HydrophobicContact CB-CG2 3.79Å; A69-I85 CarbonylContact C-O 3.53Å; A69-I85 VanDerWaalsContact CA-O 3.23Å; A69-I85 WeakPolarHBondContact CA-O 3.31Å |
| 70 | T | 86.6 | Confident | 76.6 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 130.7 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | V72 I85 | T70-V72 HydrophobicContact CG2-CG1 4.16Å; T70-I85 PolarHBondContact N-O 2.87Å; T70-I85 PolarHBondContact O-N 2.87Å |
| 71 | N | 88.1 | Confident | 78.6 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 10% | 0.102 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136.2 | 171 | -60.1 | -65.5 | 0 | 0 | 0 | 108.8 | F59 D63 T65 V83 | F59-N71 VanDerWaalsContact CD2-C 3.42Å; F59-N71 HydrophobicContact CD2-CB 3.89Å; F59-N71 WeakPolarHBondContact CD2-O 3.37Å; F59-N71 HydrophobicContact CE2-CB 3.98Å; D63-N71 PolarHBondContact O-ND2 2.71Å; T65-N71 PolarHBondContact OG1-ND2 3.5Å; N71-V83 WeakPolarHBondContact CA-O 3.41Å |
| 72 | V | 91.2 | Very high | 80.7 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 159.7 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 109.3 | L56 S57 F59 T70 V83 I85 | L56-V72 HydrophobicContact CD2-CB 4.43Å; L56-V72 HydrophobicContact CD2-CG2 3.59Å; S57-V72 WeakPolarHBondContact O-CB 3.3Å; F59-V72 WeakPolarHBondContact CE2-O 3.28Å; T70-V72 HydrophobicContact CG2-CG1 4.16Å; V72-V83 HydrophobicContact CG2-CB 3.87Å; V72-V83 HydrophobicContact CG2-CG1 4.48Å; V72-V83 PolarHBondContact N-O 2.83Å; V72-V83 PolarHBondContact O-N 3.12Å; V72-I85 HydrophobicContact CG1-CG1 4.14Å; V72-I85 HydrophobicContact CG2-CD1 3.89Å; V72-I85 HydrophobicContact CG2-CG1 3.53Å |
| 73 | F | 92.8 | Very high | 82.9 | Confident | 76 Ų | 76 | 55.7 Ų | 55.7 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 139.9 | 162.9 | -76.2 | -68.8 | 0 | 0 | 0 | 109.6 | L56 S57 F59 V81 | L56-F73 CarbonylContact C-O 3.6Å; L56-F73 WeakPolarHBondContact CA-O 3.41Å; S57-F73 PolarHBondContact N-O 3.45Å; S57-F73 PolarHBondContact O-N 3.11Å; S57-F73 WeakPolarHBondContact OG-CB 3.24Å; F59-F73 HydrophobicContact CD1-CD2 4.16Å; F59-F73 AromaticContact CD1-CE2 3.6Å; F59-F73 HydrophobicContact CD1-CE2 3.6Å; F59-F73 HydrophobicContact CD1-CZ 4.24Å; F59-F73 HydrophobicContact CD2-CD2 4.24Å; F59-F73 HydrophobicContact CD2-CE2 4.41Å; F59-F73 AromaticContact CE1-CD2 3.8Å; F59-F73 HydrophobicContact CE1-CD2 3.8Å; F59-F73 HydrophobicContact CE1-CE1 4.12Å; F59-F73 AromaticContact CE1-CE2 3.04Å; F59-F73 HydrophobicContact CE1-CE2 3.04Å; F59-F73 AromaticContact CE1-CZ 3.24Å; F59-F73 HydrophobicContact CE1-CZ 3.24Å; F59-F73 HydrophobicContact CE2-CD1 4.43Å; F59-F73 AromaticContact CE2-CD2 3.9Å; F59-F73 HydrophobicContact CE2-CD2 3.9Å; F59-F73 HydrophobicContact CE2-CE1 4.47Å; F59-F73 AromaticContact CE2-CE2 3.98Å; F59-F73 HydrophobicContact CE2-CE2 3.98Å; F59-F73 HydrophobicContact CE2-CG 4.16Å; F59-F73 HydrophobicContact CE2-CZ 4.27Å; F59-F73 HydrophobicContact CG-CD2 4.37Å; F59-F73 HydrophobicContact CG-CE2 4.27Å; F59-F73 HydrophobicContact CZ-CD1 4.03Å; F59-F73 AromaticContact CZ-CD2 3.66Å; F59-F73 HydrophobicContact CZ-CD2 3.66Å; F59-F73 AromaticContact CZ-CE1 3.65Å; F59-F73 HydrophobicContact CZ-CE1 3.65Å; F59-F73 AromaticContact CZ-CE2 3.26Å; F59-F73 HydrophobicContact CZ-CE2 3.26Å; F59-F73 HydrophobicContact CZ-CG 4.04Å; F59-F73 AromaticContact CZ-CZ 3.26Å; F59-F73 HydrophobicContact CZ-CZ 3.26Å; F73-V81 WeakPolarHBondContact CA-O 3.45Å |
| 74 | F | 95.3 | Very high | 85 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.3 | 165.4 | -175.3 | -88.1 | 0 | 0 | 0 | 108 | L52 Q53 G54 S55 L56 S80 V81 V83 M104 | L52-F74 HydrophobicContact CB-CD1 4.19Å; L52-F74 HydrophobicContact CB-CE1 3.46Å; L52-F74 VanDerWaalsContact CB-CE1 3.46Å; L52-F74 HydrophobicContact CB-CZ 3.86Å; L52-F74 HydrophobicContact CD1-CD1 4.16Å; L52-F74 HydrophobicContact CD1-CE1 4.28Å; Q53-F74 VanDerWaalsContact C-CZ 3.42Å; G54-F74 VanDerWaalsContact CA-CZ 3.43Å; S55-F74 WeakPolarHBondContact O-CA 3.4Å; L56-F74 HydrophobicContact CD2-CB 3.96Å; L56-F74 HydrophobicContact CD2-CD2 3.59Å; L56-F74 HydrophobicContact CD2-CG 4.27Å; L56-F74 HydrophobicContact CG-CD2 4.08Å; F74-S80 CarbonylContact O-C 3.54Å; F74-S80 WeakPolarHBondContact O-CA 3.23Å; F74-V81 HydrophobicContact CB-CG1 4.16Å; F74-V81 PolarHBondContact N-O 3.46Å; F74-V81 PolarHBondContact O-N 3.02Å; F74-V83 HydrophobicContact CB-CG2 3.49Å; F74-V83 VanDerWaalsContact CB-CG2 3.49Å; F74-M104 HydrophobicContact CB-CE 3.78Å; F74-M104 HydrophobicContact CD1-CE 4.2Å; F74-M104 HydrophobicContact CD2-CE 3.14Å; F74-M104 HydrophobicContact CD2-SD 4.28Å; F74-M104 HydrophobicContact CE2-CB 4.01Å; F74-M104 HydrophobicContact CE2-CE 3.59Å; F74-M104 HydrophobicContact CG-CE 3.44Å; F74-M104 VanDerWaalsContact CG-CE 3.44Å; F74-M104 HydrophobicContact CZ-CB 4.35Å; F74-M104 HydrophobicContact CZ-CE 4.26Å |
| 75 | T | 95.6 | Very high | 87 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.2 | -173.2 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | G54 S55 G79 S80 | G54-T75 CarbonylContact C-O 3.48Å; G54-T75 WeakPolarHBondContact CA-O 3.31Å; S55-T75 PolarHBondContact N-O 3.45Å; S55-T75 PolarHBondContact O-N 3.22Å; T75-G79 WeakPolarHBondContact CA-O 3.4Å; T75-S80 WeakPolarHBondContact CG2-OG 3.36Å; T75-S80 WeakPolarHBondContact OG1-CB 3.27Å; T75-S80 PolarHBondContact OG1-OG 2.84Å |
| 76 | D | 96.2 | Very high | 88.9 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -170 | 167.6 | 70.1 | 18.4 | 0 | 0 | 0 | 110.6 | F20 C21 Q53 T78 G79 | F20-D76 VanDerWaalsContact CA-OD2 3.24Å; F20-D76 WeakPolarHBondContact CA-OD2 3.25Å; C21-D76 PolarHBondContact N-OD2 3.5Å; C21-D76 PolarHBondContact SG-OD2 3.02Å; Q53-D76 VanDerWaalsContact O-CB 3.31Å; Q53-D76 WeakPolarHBondContact O-CB 3.47Å; D76-T78 PolarHBondContact O-N 2.93Å; D76-T78 VanDerWaalsContact O-N 3.09Å; D76-T78 WeakPolarHBondContact OD1-CA 3.41Å; D76-T78 WeakPolarHBondContact OD1-CB 3.5Å; D76-T78 PolarHBondContact OD1-N 3.4Å; D76-T78 PolarHBondContact OD1-OG1 3.27Å; D76-G79 PolarHBondContact N-O 3.38Å; D76-G79 PolarHBondContact OD1-N 2.75Å |
| 77 | M | 94.5 | Very high | 90.5 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16 | -179.8 | -59.3 | 177.4 | -78.3 | 0 | 0 | 114.5 | F20 E137 A141 | F20-M77 HydrophobicContact CE1-CE 3.68Å; F20-M77 HydrophobicContact CZ-CE 4.26Å; M77-E137 HydrophobicContact CE-CB 4.06Å; M77-E137 VanDerWaalsContact CE-O 3.26Å; M77-E137 WeakPolarHBondContact CE-O 3.26Å; M77-E137 HydrophobicContact CG-CB 4.21Å; M77-E137 HydrophobicContact CG-CG 4.24Å; M77-E137 HydrophobicContact SD-CB 3.66Å; M77-E137 HydrophobicContact SD-CG 4.33Å; M77-A141 HydrophobicContact CE-CB 4.03Å |
| 78 | T | 95.1 | Very high | 91.7 | Very high | 55 Ų | 55 | 47 Ų | 47 | 34% | 0.337 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -15.9 | -170.9 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | F20 C21 C22 D76 | F20-T78 HydrophobicContact CB-CG2 3.69Å; F20-T78 WeakPolarHBondContact CB-OG1 3.48Å; F20-T78 HydrophobicContact CD1-CG2 3.71Å; F20-T78 HydrophobicContact CD2-CG2 4.08Å; F20-T78 HydrophobicContact CE1-CG2 4.24Å; F20-T78 HydrophobicContact CG-CG2 3.59Å; C21-T78 PolarHBondContact N-OG1 3.46Å; C22-T78 WeakPolarHBondContact CB-OG1 3.4Å; C22-T78 PolarHBondContact N-OG1 3.21Å; C22-T78 VanDerWaalsContact N-OG1 3.11Å; C22-T78 VanDerWaalsContact SG-CB 3.55Å; C22-T78 PolarHBondContact SG-OG1 3.08Å; D76-T78 PolarHBondContact O-N 2.93Å; D76-T78 VanDerWaalsContact O-N 3.09Å; D76-T78 WeakPolarHBondContact OD1-CA 3.41Å; D76-T78 WeakPolarHBondContact OD1-CB 3.5Å; D76-T78 PolarHBondContact OD1-N 3.4Å; D76-T78 PolarHBondContact OD1-OG1 3.27Å |
| 79 | G | 94.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -163.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C21 T75 D76 | C21-G79 WeakPolarHBondContact CB-O 3.31Å; T75-G79 WeakPolarHBondContact CA-O 3.4Å; D76-G79 PolarHBondContact N-O 3.38Å; D76-G79 PolarHBondContact OD1-N 2.75Å |
| 80 | S | 93.3 | Very high | 92.3 | Very high | 71 Ų | 71 | 49 Ų | 49 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 150.1 | -176.6 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | F74 T75 | F74-S80 CarbonylContact O-C 3.54Å; F74-S80 WeakPolarHBondContact O-CA 3.23Å; T75-S80 WeakPolarHBondContact CG2-OG 3.36Å; T75-S80 WeakPolarHBondContact OG1-CB 3.27Å; T75-S80 PolarHBondContact OG1-OG 2.84Å |
| 81 | V | 92.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 148.6 | 174.8 | 67.5 | 0 | 0 | 0 | 0 | 110.8 | L24 L52 F73 F74 V83 V118 V120 | L24-V81 HydrophobicContact CD1-CB 3.98Å; L24-V81 HydrophobicContact CD1-CG1 3.9Å; L24-V81 HydrophobicContact CD1-CG2 3.77Å; L52-V81 HydrophobicContact CD1-CG1 4.21Å; F73-V81 WeakPolarHBondContact CA-O 3.45Å; F74-V81 HydrophobicContact CB-CG1 4.16Å; F74-V81 PolarHBondContact N-O 3.46Å; F74-V81 PolarHBondContact O-N 3.02Å; V81-V83 HydrophobicContact CG1-CG2 3.97Å; V81-V118 WeakPolarHBondContact CG2-O 3.49Å; V81-V120 HydrophobicContact CG1-CG2 4.39Å; V81-V120 HydrophobicContact CG2-CG2 4.45Å |
| 82 | R | 92.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 128.5 | 172.7 | -176.4 | -177.9 | -69 | -126.8 | 2.1 | 109.5 | F59 T119 V120 | F59-R82 HydrophobicContact CE2-CG 4.09Å; F59-R82 HydrophobicContact CZ-CG 4.03Å; R82-T119 HydrophobicContact CG-CG2 4.38Å; R82-V120 PolarHBondContact O-N 2.95Å; R82-V120 VanDerWaalsContact O-N 3.07Å |
| 83 | V | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.3 | 179.4 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | N71 V72 F74 V81 I85 M104 V120 A122 | N71-V83 WeakPolarHBondContact CA-O 3.41Å; V72-V83 HydrophobicContact CG2-CB 3.87Å; V72-V83 HydrophobicContact CG2-CG1 4.48Å; V72-V83 PolarHBondContact N-O 2.83Å; V72-V83 PolarHBondContact O-N 3.12Å; F74-V83 HydrophobicContact CB-CG2 3.49Å; F74-V83 VanDerWaalsContact CB-CG2 3.49Å; V81-V83 HydrophobicContact CG1-CG2 3.97Å; V83-I85 HydrophobicContact CG1-CD1 3.75Å; V83-M104 HydrophobicContact CB-CE 4.38Å; V83-M104 HydrophobicContact CG1-CE 3.89Å; V83-M104 HydrophobicContact CG1-SD 4.05Å; V83-M104 HydrophobicContact CG2-CE 3.79Å; V83-V120 CarbonylContact C-O 3.51Å; V83-V120 VanDerWaalsContact CA-O 3.28Å; V83-V120 WeakPolarHBondContact CA-O 3.32Å; V83-V120 HydrophobicContact CB-CG2 4.32Å; V83-V120 HydrophobicContact CG1-CG2 4.25Å; V83-V120 HydrophobicContact CG2-CG2 3.71Å; V83-A122 HydrophobicContact CG1-CB 4Å |
| 84 | I | 92.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.226 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.5 | 167 | -57.9 | 174.2 | 0 | 0 | 0 | 107.7 | A69 P86 V109 T119 V120 K121 A122 | A69-I84 HydrophobicContact CB-CG2 3.79Å; I84-P86 WeakPolarHBondContact O-CD 3.17Å; I84-V109 HydrophobicContact CD1-CG2 4.24Å; I84-T119 HydrophobicContact CD1-CG2 3.69Å; I84-T119 HydrophobicContact CG1-CG2 3.71Å; I84-V120 PolarHBondContact N-O 2.88Å; I84-K121 HydrophobicContact CB-CB 4.4Å; I84-K121 HydrophobicContact CB-CG 4.39Å; I84-K121 WeakPolarHBondContact O-CA 3.45Å; I84-A122 PolarHBondContact O-N 2.89Å |
| 85 | I | 92.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 111.1 | 170.9 | -54.8 | -57.4 | 0 | 0 | 0 | 108.6 | A69 T70 V72 V83 L89 V93 M104 A122 | A69-I85 CarbonylContact C-O 3.53Å; A69-I85 VanDerWaalsContact CA-O 3.23Å; A69-I85 WeakPolarHBondContact CA-O 3.31Å; T70-I85 PolarHBondContact N-O 2.87Å; T70-I85 PolarHBondContact O-N 2.87Å; V72-I85 HydrophobicContact CG1-CG1 4.14Å; V72-I85 HydrophobicContact CG2-CD1 3.89Å; V72-I85 HydrophobicContact CG2-CG1 3.53Å; V83-I85 HydrophobicContact CG1-CD1 3.75Å; I85-L89 HydrophobicContact CG2-CB 3.98Å; I85-V93 HydrophobicContact CG2-CG2 3.82Å; I85-M104 HydrophobicContact CD1-SD 4.31Å; I85-A122 HydrophobicContact CD1-CB 3.59Å |
| 86 | P | 92.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 149 | 172.9 | -19.7 | 34.8 | 0 | 0 | 0 | 110.9 | I84 V88 L89 K121 A122 | I84-P86 WeakPolarHBondContact O-CD 3.17Å; P86-V88 HydrophobicContact CB-CG2 3.89Å; P86-V88 PolarHBondContact O-N 2.81Å; P86-L89 PolarHBondContact O-N 2.94Å; P86-K121 HydrophobicContact CG-CD 4.43Å; P86-K121 HydrophobicContact CG-CG 3.97Å; P86-A122 WeakPolarHBondContact CD-O 3.46Å; P86-A122 WeakPolarHBondContact CG-O 3.17Å |
| 87 | Y | 89.3 | Confident | 91.2 | Very high | 142 Ų | 142 | 60.8 Ų | 60.8 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -53.4 | -31.3 | 179.7 | -173.9 | -96.3 | 0 | 0 | 0 | 113.7 | S68 L89 K90 | S68-Y87 VanDerWaalsContact O-CB 3.27Å; S68-Y87 WeakPolarHBondContact O-CB 3.22Å; S68-Y87 PolarHBondContact O-N 2.92Å; Y87-L89 PolarHBondContact O-N 3.39Å; Y87-L89 VanDerWaalsContact O-N 3.12Å; Y87-K90 HydrophobicContact CD2-CD 3.93Å; Y87-K90 HydrophobicContact CE2-CD 3.49Å; Y87-K90 VanDerWaalsContact CE2-CD 3.49Å; Y87-K90 WeakPolarHBondContact O-CB 3.41Å; Y87-K90 PolarHBondContact O-N 3.45Å |
| 88 | V | 91.4 | Very high | 90.9 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 79% | 0.788 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -60.4 | -20.8 | 176.6 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | P86 | P86-V88 HydrophobicContact CB-CG2 3.89Å; P86-V88 PolarHBondContact O-N 2.81Å |
| 89 | L | 92.3 | Very high | 90.6 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -97.5 | 1.9 | 175.7 | -63.3 | -176.9 | 0 | 0 | 0 | 113.2 | I85 P86 Y87 N91 A92 V93 A122 | I85-L89 HydrophobicContact CG2-CB 3.98Å; P86-L89 PolarHBondContact O-N 2.94Å; Y87-L89 PolarHBondContact O-N 3.39Å; Y87-L89 VanDerWaalsContact O-N 3.12Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.25Å; L89-A92 WeakPolarHBondContact O-CB 3.23Å; L89-A92 PolarHBondContact O-N 3.13Å; L89-V93 PolarHBondContact O-N 3.38Å; L89-A122 HydrophobicContact CD1-CB 3.67Å |
| 90 | K | 87 | Confident | 90.6 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.6 | -45 | -177 | -177.2 | 175.9 | 178.3 | 178.3 | 0 | 112.2 | Y87 A92 V93 S94 | Y87-K90 HydrophobicContact CD2-CD 3.93Å; Y87-K90 HydrophobicContact CE2-CD 3.49Å; Y87-K90 VanDerWaalsContact CE2-CD 3.49Å; Y87-K90 WeakPolarHBondContact O-CB 3.41Å; Y87-K90 PolarHBondContact O-N 3.45Å; K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 2.77Å; K90-V93 PolarHBondContact O-N 2.91Å; K90-S94 WeakPolarHBondContact O-CB 3.46Å; K90-S94 PolarHBondContact O-N 2.84Å; K90-S94 PolarHBondContact O-OG 2.86Å |
| 91 | N | 87.9 | Confident | 90.7 | Very high | 122 Ų | 122 | 60.8 Ų | 60.8 | 65% | 0.652 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.9 | -33.8 | 177.8 | -69.9 | -8.3 | 0 | 0 | 0 | 112.6 | L89 N95 | L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 3.25Å; N91-N95 WeakPolarHBondContact O-CB 2.99Å; N91-N95 VanDerWaalsContact O-CG 3.32Å; N91-N95 PolarHBondContact O-N 3.13Å; N91-N95 PolarHBondContact O-ND2 2.87Å |
| 92 | A | 90.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | L89 K90 N95 L96 L125 | L89-A92 WeakPolarHBondContact O-CB 3.23Å; L89-A92 PolarHBondContact O-N 3.13Å; K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 2.77Å; A92-N95 PolarHBondContact O-N 2.71Å; A92-L96 PolarHBondContact O-N 2.96Å; A92-L125 HydrophobicContact CB-CD2 4.13Å |
| 93 | V | 89.9 | Confident | 91.1 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 24% | 0.242 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -43.9 | 176.7 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | L56 I85 L89 K90 N95 L96 L125 | L56-V93 HydrophobicContact CD1-CG1 4.44Å; L56-V93 HydrophobicContact CD1-CG2 4.17Å; I85-V93 HydrophobicContact CG2-CG2 3.82Å; L89-V93 PolarHBondContact O-N 3.38Å; K90-V93 PolarHBondContact O-N 2.91Å; V93-N95 PolarHBondContact O-N 3.04Å; V93-L96 HydrophobicContact CG1-CD1 4.29Å; V93-L96 WeakPolarHBondContact O-CB 3.38Å; V93-L96 WeakPolarHBondContact O-CG 3.44Å; V93-L96 PolarHBondContact O-N 2.9Å; V93-L96 VanDerWaalsContact O-N 3.16Å; V93-L125 HydrophobicContact CG2-CD1 4.2Å |
| 94 | S | 87.2 | Confident | 91.3 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 62% | 0.622 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.1 | -23 | 177.3 | -68.3 | 0 | 0 | 0 | 0 | 114 | K90 | K90-S94 WeakPolarHBondContact O-CB 3.46Å; K90-S94 PolarHBondContact O-N 2.84Å; K90-S94 PolarHBondContact O-OG 2.86Å |
| 95 | N | 89.1 | Confident | 91.5 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 69% | 0.69 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 10.1 | -179.6 | -71.6 | -42.3 | 0 | 0 | 0 | 113.1 | N91 A92 V93 | N91-N95 WeakPolarHBondContact O-CB 2.99Å; N91-N95 VanDerWaalsContact O-CG 3.32Å; N91-N95 PolarHBondContact O-N 3.13Å; N91-N95 PolarHBondContact O-ND2 2.87Å; A92-N95 PolarHBondContact O-N 2.71Å; V93-N95 PolarHBondContact O-N 3.04Å |
| 96 | L | 91 | Very high | 91.6 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | trans | -63.8 | 143.5 | 175.2 | -74.7 | 171.9 | 0 | 0 | 0 | 110.8 | L56 A92 V93 N100 C102 L125 P127 | L56-L96 HydrophobicContact CD1-CD1 3.72Å; A92-L96 PolarHBondContact O-N 2.96Å; V93-L96 HydrophobicContact CG1-CD1 4.29Å; V93-L96 WeakPolarHBondContact O-CB 3.38Å; V93-L96 WeakPolarHBondContact O-CG 3.44Å; V93-L96 PolarHBondContact O-N 2.9Å; V93-L96 VanDerWaalsContact O-N 3.16Å; L96-N100 HydrophobicContact CB-CB 4.42Å; L96-N100 HydrophobicContact CD1-CB 3.97Å; L96-C102 HydrophobicContact CD2-CB 3.64Å; L96-L125 HydrophobicContact CD1-CD1 4.13Å; L96-L125 HydrophobicContact CD2-CD1 4.36Å; L96-L125 HydrophobicContact CD2-CD2 3.47Å; L96-L125 VanDerWaalsContact CD2-CD2 3.47Å; L96-L125 HydrophobicContact CD2-CG 4.37Å; L96-L125 HydrophobicContact CG-CD2 4.18Å; L96-P127 HydrophobicContact CD2-CB 4.1Å | ||
| 97 | P | 88.4 | Confident | 91.7 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 26% | 0.26 | 32% | 0.316 | S | S | . | . | trans | -71.9 | -176.7 | 175.5 | 32.4 | -34.9 | 0 | 0 | 0 | 110.7 | N100 P127 L128 P130 | P97-N100 PolarHBondContact O-N 3.13Å; P97-N100 VanDerWaalsContact O-N 3.08Å; P97-P127 HydrophobicContact CG-CB 4.29Å; P97-L128 WeakPolarHBondContact CG-O 3.46Å; P97-P130 HydrophobicContact CB-CG 3.99Å; P97-P130 HydrophobicContact CG-CG 4.38Å | ||
| 98 | A | 86.5 | Confident | 91.8 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -48.6 | 147.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | N100 P130 | A98-N100 PolarHBondContact O-N 3.16Å; A98-N100 VanDerWaalsContact O-N 3.08Å; A98-P130 HydrophobicContact CB-CB 4.48Å; A98-P130 HydrophobicContact CB-CG 4.11Å; A98-P130 WeakPolarHBondContact O-CB 3.36Å |
| 99 | E | 89.7 | Confident | 91.7 | Very high | 115 Ų | 115 | 46.3 Ų | 46.3 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | 62.3 | 7.6 | -176.3 | -52 | 179.8 | -153 | 0 | 0 | 115.5 | S55 Y101 K133 | S55-E99 VanDerWaalsContact CB-O 3.23Å; S55-E99 WeakPolarHBondContact CB-O 3.46Å; S55-E99 PolarHBondContact OG-O 2.92Å; E99-Y101 PolarHBondContact O-N 2.75Å; E99-Y101 VanDerWaalsContact O-N 3.08Å; E99-K133 WeakPolarHBondContact OE2-CD 3.47Å; E99-K133 IonicContact OE2-NZ 2.71Å; E99-K133 PolarHBondContact OE2-NZ 2.96Å |
| 100 | N | 94.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | 51 | 32.6 | -179 | -54.2 | -40.9 | 0 | 0 | 0 | 113.5 | L56 L96 P97 A98 | L56-N100 HydrophobicContact CB-CB 3.95Å; L56-N100 PolarHBondContact N-O 3.31Å; L56-N100 VanDerWaalsContact O-CB 3.31Å; L56-N100 WeakPolarHBondContact O-CB 3.43Å; L56-N100 PolarHBondContact O-ND2 3.16Å; L96-N100 HydrophobicContact CB-CB 4.42Å; L96-N100 HydrophobicContact CD1-CB 3.97Å; P97-N100 PolarHBondContact O-N 3.13Å; P97-N100 VanDerWaalsContact O-N 3.08Å; A98-N100 PolarHBondContact O-N 3.16Å; A98-N100 VanDerWaalsContact O-N 3.08Å |
| 101 | Y | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127 | -174.5 | -170.4 | -121.9 | 0 | 0 | 0 | 111.1 | Q53 G54 E99 L128 K133 L136 E137 | Q53-Y101 HydrophobicContact CG-CE2 4.31Å; Q53-Y101 PolarHBondContact NE2-OH 2.86Å; G54-Y101 VanDerWaalsContact O-CD2 3.26Å; G54-Y101 WeakPolarHBondContact O-CD2 3.13Å; E99-Y101 PolarHBondContact O-N 2.75Å; E99-Y101 VanDerWaalsContact O-N 3.08Å; Y101-L128 HydrophobicContact CD1-CB 3.5Å; Y101-L128 HydrophobicContact CD1-CD1 4.17Å; Y101-L128 HydrophobicContact CD1-CG 4.49Å; Y101-L128 HydrophobicContact CE1-CB 3.78Å; Y101-L128 HydrophobicContact CE1-CD1 3.73Å; Y101-L128 HydrophobicContact CE1-CG 4.44Å; Y101-L128 HydrophobicContact CG-CB 4.39Å; Y101-L128 PolarHBondContact O-N 3.35Å; Y101-K133 HydrophobicContact CD1-CB 4.28Å; Y101-K133 HydrophobicContact CD1-CG 4.12Å; Y101-K133 HydrophobicContact CD2-CD 4.35Å; Y101-K133 HydrophobicContact CD2-CG 4.12Å; Y101-K133 HydrophobicContact CE1-CB 4.25Å; Y101-K133 HydrophobicContact CE1-CG 4.01Å; Y101-K133 HydrophobicContact CE2-CG 4.02Å; Y101-K133 HydrophobicContact CG-CD 4.45Å; Y101-K133 HydrophobicContact CG-CG 4.18Å; Y101-L136 HydrophobicContact CE1-CB 4Å; Y101-L136 HydrophobicContact CE1-CD1 3.87Å; Y101-E137 HydrophobicContact CE2-CG 4.23Å; Y101-E137 VanDerWaalsContact OH-CG 3.26Å; Y101-E137 WeakPolarHBondContact OH-CG 3.42Å |
| 102 | C | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 162.8 | -172.7 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | G54 L96 L125 A126 | G54-C102 PolarHBondContact N-O 2.9Å; G54-C102 PolarHBondContact O-N 2.64Å; G54-C102 VanDerWaalsContact O-O 3.05Å; L96-C102 HydrophobicContact CD2-CB 3.64Å; C102-L125 HydrophobicContact CB-CD1 4.23Å; C102-L125 HydrophobicContact CB-CD2 4.16Å; C102-L125 HydrophobicContact CB-CG 3.98Å; C102-A126 VanDerWaalsContact CA-O 3.31Å; C102-A126 WeakPolarHBondContact CA-O 3.37Å; C102-A126 WeakPolarHBondContact CB-O 3.44Å |
| 103 | S | 96.9 | Very high | 88.1 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.5 | 165.6 | 165.8 | 0 | 0 | 0 | 0 | 108.3 | W51 L125 A126 | W51-S103 PolarHBondContact NE1-OG 3.24Å; S103-L125 CarbonylContact O-C 3.5Å; S103-L125 WeakPolarHBondContact O-CA 3.32Å; S103-A126 PolarHBondContact N-O 2.74Å; S103-A126 PolarHBondContact O-N 3.42Å |
| 104 | M | 96.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 133.7 | -172.6 | -167.6 | 168.7 | 54.5 | 0 | 0 | 111.9 | W51 L52 L56 F74 V83 I85 C106 A122 R124 L125 | W51-M104 WeakPolarHBondContact CA-O 3.28Å; L52-M104 PolarHBondContact N-O 2.86Å; L52-M104 PolarHBondContact O-N 2.95Å; L56-M104 HydrophobicContact CD2-CE 4.39Å; F74-M104 HydrophobicContact CB-CE 3.78Å; F74-M104 HydrophobicContact CD1-CE 4.2Å; F74-M104 HydrophobicContact CD2-CE 3.14Å; F74-M104 HydrophobicContact CD2-SD 4.28Å; F74-M104 HydrophobicContact CE2-CB 4.01Å; F74-M104 HydrophobicContact CE2-CE 3.59Å; F74-M104 HydrophobicContact CG-CE 3.44Å; F74-M104 VanDerWaalsContact CG-CE 3.44Å; F74-M104 HydrophobicContact CZ-CB 4.35Å; F74-M104 HydrophobicContact CZ-CE 4.26Å; V83-M104 HydrophobicContact CB-CE 4.38Å; V83-M104 HydrophobicContact CG1-CE 3.89Å; V83-M104 HydrophobicContact CG1-SD 4.05Å; V83-M104 HydrophobicContact CG2-CE 3.79Å; I85-M104 HydrophobicContact CD1-SD 4.31Å; M104-C106 VanDerWaalsContact CE-SG 3.51Å; M104-C106 VanDerWaalsContact CG-SG 3.58Å; M104-A122 HydrophobicContact CG-CB 4.31Å; M104-A122 HydrophobicContact SD-CB 3.78Å; M104-R124 WeakPolarHBondContact CA-O 3.26Å; M104-R124 WeakPolarHBondContact CG-O 3.48Å; M104-L125 HydrophobicContact SD-CD1 4.49Å |
| 105 | I | 96.1 | Very high | 85 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.9 | 169.4 | -62.9 | 163.8 | 0 | 0 | 0 | 107.8 | M16 L49 V50 W51 K123 R124 | M16-I105 HydrophobicContact CE-CD1 3.53Å; M16-I105 HydrophobicContact CE-CG1 3.93Å; M16-I105 HydrophobicContact CE-CG2 4.04Å; M16-I105 HydrophobicContact SD-CD1 4.18Å; M16-I105 HydrophobicContact SD-CG1 4.09Å; L49-I105 HydrophobicContact CB-CG2 4.29Å; L49-I105 HydrophobicContact CD1-CG2 4.35Å; L49-I105 HydrophobicContact CD2-CG2 4.2Å; V50-I105 CarbonylContact O-C 3.59Å; V50-I105 VanDerWaalsContact O-CA 3.29Å; V50-I105 WeakPolarHBondContact O-CA 3.24Å; W51-I105 HydrophobicContact CG-CG1 4.5Å; I105-K123 PolarHBondContact O-N 2.8Å; I105-R124 HydrophobicContact CB-CB 4.26Å; I105-R124 HydrophobicContact CD1-CB 4.3Å; I105-R124 PolarHBondContact N-O 3.12Å; I105-R124 PolarHBondContact O-N 2.6Å |
| 106 | C | 95.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 153.2 | -179.6 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | L49 V50 M104 V120 K121 | L49-C106 CarbonylContact C-O 3.52Å; L49-C106 VanDerWaalsContact CA-O 3.27Å; L49-C106 WeakPolarHBondContact CA-O 3.24Å; V50-C106 HydrophobicContact CG2-CB 3.77Å; V50-C106 PolarHBondContact N-O 3.42Å; V50-C106 PolarHBondContact O-N 3.45Å; M104-C106 VanDerWaalsContact CE-SG 3.51Å; M104-C106 VanDerWaalsContact CG-SG 3.58Å; C106-V120 HydrophobicContact CB-CB 3.68Å; C106-V120 HydrophobicContact CB-CG2 3.67Å; C106-K121 CarbonylContact C-O 3.51Å; C106-K121 VanDerWaalsContact CA-O 3.26Å; C106-K121 WeakPolarHBondContact CA-O 3.42Å |
| 107 | E | 93.4 | Very high | 83 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135 | 166 | 174.2 | -176.8 | -165.4 | 0 | 0 | 109 | Y48 L49 V109 V120 K121 K123 | Y48-E107 HydrophobicContact CE1-CG 4.44Å; Y48-E107 HydrophobicContact CE2-CG 4.12Å; Y48-E107 VanDerWaalsContact CZ-OE1 3.32Å; Y48-E107 WeakPolarHBondContact O-CA 3.31Å; Y48-E107 VanDerWaalsContact OH-CD 3.22Å; Y48-E107 PolarHBondContact OH-OE1 3.4Å; L49-E107 HydrophobicContact CD2-CB 4.23Å; E107-V109 HydrophobicContact CG-CG1 4.09Å; E107-V109 PolarHBondContact O-N 3.03Å; E107-V120 CarbonylContact O-C 3.55Å; E107-V120 VanDerWaalsContact O-CA 3.23Å; E107-V120 WeakPolarHBondContact O-CA 3.35Å; E107-V120 WeakPolarHBondContact O-CB 3.33Å; E107-K121 PolarHBondContact N-O 2.85Å; E107-K121 PolarHBondContact O-N 2.97Å; E107-K123 HydrophobicContact CB-CD 4.02Å; E107-K123 HydrophobicContact CB-CG 3.99Å; E107-K123 VanDerWaalsContact OE2-CE 3.28Å; E107-K123 WeakPolarHBondContact OE2-CE 3.37Å; E107-K123 IonicContact OE2-NZ 3.88Å; E107-K123 PolarHBondContact OE2-NZ 3.27Å |
| 108 | V | 92.2 | Very high | 82.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 121.3 | 169.4 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | V27 W36 V47 Y48 V50 V118 V120 | V27-V108 HydrophobicContact CG1-CG1 3.85Å; V27-V108 HydrophobicContact CG1-CG2 4.45Å; W36-V108 HydrophobicContact CB-CB 4.47Å; W36-V108 HydrophobicContact CB-CG1 4.35Å; W36-V108 HydrophobicContact CD2-CB 4.41Å; W36-V108 HydrophobicContact CD2-CG1 3.64Å; W36-V108 HydrophobicContact CE3-CG1 4.12Å; W36-V108 HydrophobicContact CG-CB 4Å; W36-V108 HydrophobicContact CG-CG1 3.73Å; W36-V108 HydrophobicContact CZ2-CG1 4.44Å; W36-V108 PolarHBondContact NE1-O 2.97Å; V47-V108 HydrophobicContact CG2-CG2 4.43Å; Y48-V108 PolarHBondContact O-N 3.16Å; V50-V108 HydrophobicContact CG1-CG2 4.18Å; V108-V118 HydrophobicContact CG1-CG1 4.13Å; V108-V120 HydrophobicContact CG2-CG1 4.37Å |
| 109 | V | 88.6 | Confident | 83.1 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -34.1 | -175.3 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | I84 E107 T119 K121 | I84-V109 HydrophobicContact CD1-CG2 4.24Å; E107-V109 HydrophobicContact CG-CG1 4.09Å; E107-V109 PolarHBondContact O-N 3.03Å; V109-T119 HydrophobicContact CG2-CG2 3.86Å; V109-T119 WeakPolarHBondContact CG2-O 3.36Å; V109-T119 PolarHBondContact N-O 2.84Å; V109-T119 VanDerWaalsContact N-O 3.13Å; V109-K121 HydrophobicContact CG1-CB 3.53Å; V109-K121 HydrophobicContact CG1-CD 4.25Å; V109-K121 HydrophobicContact CG2-CB 4.3Å |
| 110 | D | 82.1 | Confident | 83.3 | Confident | 78 Ų | 78 | 37.7 Ų | 37.7 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 153.7 | -179.7 | -162.1 | 16.3 | 0 | 0 | 0 | 111.5 | T119 | D110-T119 PolarHBondContact N-O 2.85Å; D110-T119 PolarHBondContact O-N 3.49Å |
| 111 | V | 74.9 | Confident | 83.3 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 112.8 | 171 | 177.4 | 0 | 0 | 0 | 0 | 105.9 | V27 W36 S113 V118 | V27-V111 HydrophobicContact CG1-CG2 4.28Å; W36-V111 HydrophobicContact CE3-CG2 3.87Å; W36-V111 HydrophobicContact CH2-CB 4.16Å; W36-V111 HydrophobicContact CH2-CG2 3.86Å; W36-V111 HydrophobicContact CZ3-CB 3.79Å; W36-V111 HydrophobicContact CZ3-CG2 3.26Å; V111-S113 PolarHBondContact O-N 3Å; V111-V118 HydrophobicContact CG1-CG2 4.22Å; V111-V118 HydrophobicContact CG2-CB 4.45Å; V111-V118 HydrophobicContact CG2-CG1 4.17Å; V111-V118 HydrophobicContact CG2-CG2 3.84Å |
| 112 | E | 69.8 | Low | 83.3 | Confident | 72 Ų | 72 | 38.5 Ų | 38.5 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | trans | -56.6 | 141 | 179.2 | -70.3 | -177.2 | 179.9 | 0 | 0 | 109.6 | A114 G115 N117 | E112-A114 PolarHBondContact O-N 2.83Å; E112-G115 PolarHBondContact O-N 3.4Å; E112-N117 HydrophobicContact CB-CB 4.14Å; E112-N117 HydrophobicContact CG-CB 4.02Å; E112-N117 PolarHBondContact N-O 3.21Å; E112-N117 VanDerWaalsContact OE2-CB 3.3Å; E112-N117 WeakPolarHBondContact OE2-CB 3.5Å; E112-N117 PolarHBondContact OE2-ND2 2.84Å | ||
| 113 | S | 56.9 | Low | 83.2 | Confident | 138 Ų | 138 | 42.5 Ų | 42.5 | 97% | 0.965 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -16.6 | -173.1 | -48 | 0 | 0 | 0 | 0 | 114 | V111 G115 | V111-S113 PolarHBondContact O-N 3Å; S113-G115 PolarHBondContact O-N 3.24Å |
| 114 | A | 57.7 | Low | 83.1 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 68% | 0.678 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -1.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | E112 T116 | E112-A114 PolarHBondContact O-N 2.83Å; A114-T116 VanDerWaalsContact C-N 3.28Å; A114-T116 PolarHBondContact O-N 2.8Å |
| 115 | G | 53.2 | Low | 83 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 75.7 | 3.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | R28 E112 S113 | R28-G115 PolarHBondContact NH2-O 3.43Å; E112-G115 PolarHBondContact O-N 3.4Å; S113-G115 PolarHBondContact O-N 3.24Å |
| 116 | T | 63.3 | Low | 82.9 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -113.3 | -27.2 | -176.8 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | A114 | A114-T116 VanDerWaalsContact C-N 3.28Å; A114-T116 PolarHBondContact O-N 2.8Å |
| 117 | N | 75.3 | Confident | 82.9 | Confident | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 32% | 0.319 | S | S | . | . | trans | -107.4 | 105.1 | -174.2 | -62.5 | -20.8 | 0 | 0 | 0 | 109.8 | E112 | E112-N117 HydrophobicContact CB-CB 4.14Å; E112-N117 HydrophobicContact CG-CB 4.02Å; E112-N117 PolarHBondContact N-O 3.21Å; E112-N117 VanDerWaalsContact OE2-CB 3.3Å; E112-N117 WeakPolarHBondContact OE2-CB 3.5Å; E112-N117 PolarHBondContact OE2-ND2 2.84Å | ||
| 118 | V | 86.5 | Confident | 83 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 133.5 | 169.9 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | L24 V27 V81 V108 V111 V120 | L24-V118 HydrophobicContact CB-CB 4.37Å; L24-V118 WeakPolarHBondContact O-CG2 3.23Å; V27-V118 HydrophobicContact CB-CG2 4.41Å; V81-V118 WeakPolarHBondContact CG2-O 3.49Å; V108-V118 HydrophobicContact CG1-CG1 4.13Å; V111-V118 HydrophobicContact CG1-CG2 4.22Å; V111-V118 HydrophobicContact CG2-CB 4.45Å; V111-V118 HydrophobicContact CG2-CG1 4.17Å; V111-V118 HydrophobicContact CG2-CG2 3.84Å; V118-V120 HydrophobicContact CG1-CG1 4.03Å |
| 119 | T | 90.3 | Very high | 83.1 | Confident | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.8 | 169.4 | -60.3 | 0 | 0 | 0 | 0 | 108.5 | R82 I84 V109 D110 | R82-T119 HydrophobicContact CG-CG2 4.38Å; I84-T119 HydrophobicContact CD1-CG2 3.69Å; I84-T119 HydrophobicContact CG1-CG2 3.71Å; V109-T119 HydrophobicContact CG2-CG2 3.86Å; V109-T119 WeakPolarHBondContact CG2-O 3.36Å; V109-T119 PolarHBondContact N-O 2.84Å; V109-T119 VanDerWaalsContact N-O 3.13Å; D110-T119 PolarHBondContact N-O 2.85Å; D110-T119 PolarHBondContact O-N 3.49Å |
| 120 | V | 94.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 153.3 | 173.4 | -56.4 | 0 | 0 | 0 | 0 | 110 | L24 V81 R82 V83 I84 C106 E107 V108 V118 | L24-V120 HydrophobicContact CD1-CG1 4.29Å; V81-V120 HydrophobicContact CG1-CG2 4.39Å; V81-V120 HydrophobicContact CG2-CG2 4.45Å; R82-V120 PolarHBondContact O-N 2.95Å; R82-V120 VanDerWaalsContact O-N 3.07Å; V83-V120 CarbonylContact C-O 3.51Å; V83-V120 VanDerWaalsContact CA-O 3.28Å; V83-V120 WeakPolarHBondContact CA-O 3.32Å; V83-V120 HydrophobicContact CB-CG2 4.32Å; V83-V120 HydrophobicContact CG1-CG2 4.25Å; V83-V120 HydrophobicContact CG2-CG2 3.71Å; I84-V120 PolarHBondContact N-O 2.88Å; C106-V120 HydrophobicContact CB-CB 3.68Å; C106-V120 HydrophobicContact CB-CG2 3.67Å; E107-V120 CarbonylContact O-C 3.55Å; E107-V120 VanDerWaalsContact O-CA 3.23Å; E107-V120 WeakPolarHBondContact O-CA 3.35Å; E107-V120 WeakPolarHBondContact O-CB 3.33Å; V108-V120 HydrophobicContact CG2-CG1 4.37Å; V118-V120 HydrophobicContact CG1-CG1 4.03Å |
| 121 | K | 93.9 | Very high | 83.8 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.1 | 177.4 | 179.9 | 179.4 | 179.8 | 177.7 | 0 | 109.5 | I84 P86 C106 E107 V109 K123 | I84-K121 HydrophobicContact CB-CB 4.4Å; I84-K121 HydrophobicContact CB-CG 4.39Å; I84-K121 WeakPolarHBondContact O-CA 3.45Å; P86-K121 HydrophobicContact CG-CD 4.43Å; P86-K121 HydrophobicContact CG-CG 3.97Å; C106-K121 CarbonylContact C-O 3.51Å; C106-K121 VanDerWaalsContact CA-O 3.26Å; C106-K121 WeakPolarHBondContact CA-O 3.42Å; E107-K121 PolarHBondContact N-O 2.85Å; E107-K121 PolarHBondContact O-N 2.97Å; V109-K121 HydrophobicContact CG1-CB 3.53Å; V109-K121 HydrophobicContact CG1-CD 4.25Å; V109-K121 HydrophobicContact CG2-CB 4.3Å; K121-K123 PolarHBondContact O-N 2.92Å |
| 122 | A | 95.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.008 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 133.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | V83 I84 I85 P86 L89 M104 | V83-A122 HydrophobicContact CG1-CB 4Å; I84-A122 PolarHBondContact O-N 2.89Å; I85-A122 HydrophobicContact CD1-CB 3.59Å; P86-A122 WeakPolarHBondContact CD-O 3.46Å; P86-A122 WeakPolarHBondContact CG-O 3.17Å; L89-A122 HydrophobicContact CD1-CB 3.67Å; M104-A122 HydrophobicContact CG-CB 4.31Å; M104-A122 HydrophobicContact SD-CB 3.78Å |
| 123 | K | 94.8 | Very high | 86 | Confident | 84 Ų | 84 | 60 Ų | 60 | 37% | 0.365 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -34.8 | 177 | -56.2 | -67.2 | -106 | -163.5 | 0 | 111.3 | L49 I105 E107 K121 | L49-K123 HydrophobicContact CD2-CG 4.11Å; I105-K123 PolarHBondContact O-N 2.8Å; E107-K123 HydrophobicContact CB-CD 4.02Å; E107-K123 HydrophobicContact CB-CG 3.99Å; E107-K123 VanDerWaalsContact OE2-CE 3.28Å; E107-K123 WeakPolarHBondContact OE2-CE 3.37Å; E107-K123 IonicContact OE2-NZ 3.88Å; E107-K123 PolarHBondContact OE2-NZ 3.27Å; K121-K123 PolarHBondContact O-N 2.92Å |
| 124 | R | 94.3 | Very high | 87.8 | Confident | 179 Ų | 179 | 60.5 Ų | 60.5 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147 | 149.1 | 173.8 | -64.8 | -174.4 | 174.2 | -175.3 | -1.4 | 110.1 | M104 I105 | M104-R124 WeakPolarHBondContact CA-O 3.26Å; M104-R124 WeakPolarHBondContact CG-O 3.48Å; I105-R124 HydrophobicContact CB-CB 4.26Å; I105-R124 HydrophobicContact CD1-CB 4.3Å; I105-R124 PolarHBondContact N-O 3.12Å; I105-R124 PolarHBondContact O-N 2.6Å |
| 125 | L | 93.9 | Very high | 89.7 | Confident | 23 Ų | 23 | 63.7 Ų | 63.7 | 12% | 0.12 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 138.9 | 174.4 | 177.6 | 151.4 | 0 | 0 | 0 | 108.9 | L56 A92 V93 L96 C102 S103 M104 | L56-L125 HydrophobicContact CD1-CD1 3.66Å; A92-L125 HydrophobicContact CB-CD2 4.13Å; V93-L125 HydrophobicContact CG2-CD1 4.2Å; L96-L125 HydrophobicContact CD1-CD1 4.13Å; L96-L125 HydrophobicContact CD2-CD1 4.36Å; L96-L125 HydrophobicContact CD2-CD2 3.47Å; L96-L125 VanDerWaalsContact CD2-CD2 3.47Å; L96-L125 HydrophobicContact CD2-CG 4.37Å; L96-L125 HydrophobicContact CG-CD2 4.18Å; C102-L125 HydrophobicContact CB-CD1 4.23Å; C102-L125 HydrophobicContact CB-CD2 4.16Å; C102-L125 HydrophobicContact CB-CG 3.98Å; S103-L125 CarbonylContact O-C 3.5Å; S103-L125 WeakPolarHBondContact O-CA 3.32Å; M104-L125 HydrophobicContact SD-CD1 4.49Å |
| 126 | A | 94.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 64.3 Ų | 64.3 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | C102 S103 | C102-A126 VanDerWaalsContact CA-O 3.31Å; C102-A126 WeakPolarHBondContact CA-O 3.37Å; C102-A126 WeakPolarHBondContact CB-O 3.44Å; S103-A126 PolarHBondContact N-O 2.74Å; S103-A126 PolarHBondContact O-N 3.42Å |
| 127 | P | 95.6 | Very high | 93.4 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 142.4 | 177.4 | 27.2 | -33.9 | 0 | 0 | 0 | 110.7 | L96 P97 | L96-P127 HydrophobicContact CD2-CB 4.1Å; P97-P127 HydrophobicContact CG-CB 4.29Å |
| 128 | L | 95.7 | Very high | 94.4 | Very high | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | trans | -116.9 | 148.2 | 173.2 | -67.2 | 178.3 | 0 | 0 | 0 | 109.7 | Q53 P97 Y101 P130 L136 | Q53-L128 VanDerWaalsContact CD-CD1 3.43Å; Q53-L128 HydrophobicContact CG-CD1 3.42Å; Q53-L128 VanDerWaalsContact CG-CD1 3.42Å; P97-L128 WeakPolarHBondContact CG-O 3.46Å; Y101-L128 HydrophobicContact CD1-CB 3.5Å; Y101-L128 HydrophobicContact CD1-CD1 4.17Å; Y101-L128 HydrophobicContact CD1-CG 4.49Å; Y101-L128 HydrophobicContact CE1-CB 3.78Å; Y101-L128 HydrophobicContact CE1-CD1 3.73Å; Y101-L128 HydrophobicContact CE1-CG 4.44Å; Y101-L128 HydrophobicContact CG-CB 4.39Å; Y101-L128 PolarHBondContact O-N 3.35Å; L128-P130 VanDerWaalsContact O-CD 3.24Å; L128-P130 WeakPolarHBondContact O-CD 3.29Å; L128-L136 HydrophobicContact CB-CD1 4.12Å; L128-L136 HydrophobicContact CD1-CD1 4.5Å | ||
| 129 | N | 93.8 | Very high | 94.9 | Very high | 84 Ų | 84 | 66.3 Ų | 66.3 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | trans | -67.3 | 116.3 | -178.5 | -176.4 | 11.4 | 0 | 0 | 0 | 110.3 | A131 D132 | N129-A131 PolarHBondContact O-N 3.07Å; N129-A131 PolarHBondContact OD1-N 3.29Å; N129-D132 HydrophobicContact CB-CB 4.33Å; N129-D132 PolarHBondContact ND2-OD2 3.15Å; N129-D132 PolarHBondContact O-N 3.17Å | ||
| 130 | P | 91.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -66.1 | -24.8 | -179.5 | 26.7 | -35.1 | 0 | 0 | 0 | 112.6 | P97 A98 L128 D132 K133 | P97-P130 HydrophobicContact CB-CG 3.99Å; P97-P130 HydrophobicContact CG-CG 4.38Å; A98-P130 HydrophobicContact CB-CB 4.48Å; A98-P130 HydrophobicContact CB-CG 4.11Å; A98-P130 WeakPolarHBondContact O-CB 3.36Å; L128-P130 VanDerWaalsContact O-CD 3.24Å; L128-P130 WeakPolarHBondContact O-CD 3.29Å; P130-D132 PolarHBondContact O-N 3.17Å; P130-K133 VanDerWaalsContact O-CB 3.23Å; P130-K133 WeakPolarHBondContact O-CB 3.27Å; P130-K133 PolarHBondContact O-N 3Å; P130-K133 VanDerWaalsContact O-N 3.12Å |
| 131 | A | 94.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 67.2 Ų | 67.2 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -66.1 | -18.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N129 | N129-A131 PolarHBondContact O-N 3.07Å; N129-A131 PolarHBondContact OD1-N 3.29Å |
| 132 | D | 95.5 | Very high | 95.6 | Very high | 50 Ų | 50 | 66.6 Ų | 66.6 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -101.6 | 6.3 | 176.5 | -74.1 | -71.8 | 0 | 0 | 0 | 112.5 | N129 P130 E134 R135 L136 | N129-D132 HydrophobicContact CB-CB 4.33Å; N129-D132 PolarHBondContact ND2-OD2 3.15Å; N129-D132 PolarHBondContact O-N 3.17Å; P130-D132 PolarHBondContact O-N 3.17Å; D132-E134 PolarHBondContact O-N 3.38Å; D132-R135 PolarHBondContact O-N 2.8Å; D132-R135 IonicContact OD1-CZ 3.19Å; D132-R135 IonicContact OD1-NE 3.35Å; D132-R135 PolarHBondContact OD1-NE 3.24Å; D132-R135 IonicContact OD1-NH2 3.45Å; D132-R135 PolarHBondContact OD1-NH2 2.89Å; D132-R135 IonicContact OD2-NH2 2.83Å; D132-L136 HydrophobicContact CB-CD1 3.7Å; D132-L136 HydrophobicContact CB-CG 3.93Å; D132-L136 WeakPolarHBondContact O-CB 3.25Å; D132-L136 WeakPolarHBondContact O-CG 3.27Å; D132-L136 PolarHBondContact O-N 3.33Å |
| 133 | K | 95.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 70.2 Ų | 70.2 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -51.7 | -55 | -166.6 | -177.3 | 179.9 | -176.4 | -176.1 | 0 | 113.4 | E99 Y101 P130 R135 L136 E137 | E99-K133 WeakPolarHBondContact OE2-CD 3.47Å; E99-K133 IonicContact OE2-NZ 2.71Å; E99-K133 PolarHBondContact OE2-NZ 2.96Å; Y101-K133 HydrophobicContact CD1-CB 4.28Å; Y101-K133 HydrophobicContact CD1-CG 4.12Å; Y101-K133 HydrophobicContact CD2-CD 4.35Å; Y101-K133 HydrophobicContact CD2-CG 4.12Å; Y101-K133 HydrophobicContact CE1-CB 4.25Å; Y101-K133 HydrophobicContact CE1-CG 4.01Å; Y101-K133 HydrophobicContact CE2-CG 4.02Å; Y101-K133 HydrophobicContact CG-CD 4.45Å; Y101-K133 HydrophobicContact CG-CG 4.18Å; P130-K133 VanDerWaalsContact O-CB 3.23Å; P130-K133 WeakPolarHBondContact O-CB 3.27Å; P130-K133 PolarHBondContact O-N 3Å; P130-K133 VanDerWaalsContact O-N 3.12Å; K133-R135 PolarHBondContact O-N 3.33Å; K133-L136 PolarHBondContact O-N 2.88Å; K133-L136 VanDerWaalsContact O-N 3.11Å; K133-E137 WeakPolarHBondContact CE-OE1 3.29Å; K133-E137 HydrophobicContact CG-CG 4.31Å; K133-E137 WeakPolarHBondContact O-CB 3.42Å; K133-E137 WeakPolarHBondContact O-CG 3.3Å; K133-E137 PolarHBondContact O-N 2.64Å |
| 134 | E | 95.4 | Very high | 95.6 | Very high | 147 Ų | 147 | 66.2 Ų | 66.2 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55.8 | -50 | -179.6 | -176.7 | 176.9 | -164.6 | 0 | 0 | 111.7 | D132 L136 E137 E138 | D132-E134 PolarHBondContact O-N 3.38Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 3.01Å; E134-E137 PolarHBondContact O-N 2.77Å; E134-E138 WeakPolarHBondContact O-CG 3.48Å; E134-E138 PolarHBondContact O-N 2.85Å |
| 135 | R | 97.4 | Very high | 95.6 | Very high | 150 Ų | 150 | 63.5 Ų | 63.5 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61 | -38.9 | 177.1 | -176 | 179.6 | 69.9 | 96.5 | -3.2 | 112.5 | D132 K133 A139 | D132-R135 PolarHBondContact O-N 2.8Å; D132-R135 IonicContact OD1-CZ 3.19Å; D132-R135 IonicContact OD1-NE 3.35Å; D132-R135 PolarHBondContact OD1-NE 3.24Å; D132-R135 IonicContact OD1-NH2 3.45Å; D132-R135 PolarHBondContact OD1-NH2 2.89Å; D132-R135 IonicContact OD2-NH2 2.83Å; K133-R135 PolarHBondContact O-N 3.33Å; R135-A139 VanDerWaalsContact O-CB 3.31Å; R135-A139 WeakPolarHBondContact O-CB 3.28Å; R135-A139 PolarHBondContact O-N 3.13Å |
| 136 | L | 97.1 | Very high | 95.5 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72 | -36.6 | 179 | -72.5 | 171.9 | 0 | 0 | 0 | 111.7 | Q53 Y101 L128 D132 K133 E134 A139 W140 | Q53-L136 VanDerWaalsContact NE2-C 3.31Å; Q53-L136 PolarHBondContact NE2-O 3.34Å; Y101-L136 HydrophobicContact CE1-CB 4Å; Y101-L136 HydrophobicContact CE1-CD1 3.87Å; L128-L136 HydrophobicContact CB-CD1 4.12Å; L128-L136 HydrophobicContact CD1-CD1 4.5Å; D132-L136 HydrophobicContact CB-CD1 3.7Å; D132-L136 HydrophobicContact CB-CG 3.93Å; D132-L136 WeakPolarHBondContact O-CB 3.25Å; D132-L136 WeakPolarHBondContact O-CG 3.27Å; D132-L136 PolarHBondContact O-N 3.33Å; K133-L136 PolarHBondContact O-N 2.88Å; K133-L136 VanDerWaalsContact O-N 3.11Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 3.01Å; L136-A139 PolarHBondContact O-N 3.48Å; L136-W140 VanDerWaalsContact O-CB 3.25Å; L136-W140 WeakPolarHBondContact O-CB 3.47Å; L136-W140 PolarHBondContact O-N 2.65Å |
| 137 | E | 97.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 68.3 Ų | 68.3 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 174.6 | -77.8 | -177.5 | 169.8 | 0 | 0 | 111.1 | M77 Y101 K133 E134 A139 W140 A141 | M77-E137 HydrophobicContact CE-CB 4.06Å; M77-E137 VanDerWaalsContact CE-O 3.26Å; M77-E137 WeakPolarHBondContact CE-O 3.26Å; M77-E137 HydrophobicContact CG-CB 4.21Å; M77-E137 HydrophobicContact CG-CG 4.24Å; M77-E137 HydrophobicContact SD-CB 3.66Å; M77-E137 HydrophobicContact SD-CG 4.33Å; Y101-E137 HydrophobicContact CE2-CG 4.23Å; Y101-E137 VanDerWaalsContact OH-CG 3.26Å; Y101-E137 WeakPolarHBondContact OH-CG 3.42Å; K133-E137 WeakPolarHBondContact CE-OE1 3.29Å; K133-E137 HydrophobicContact CG-CG 4.31Å; K133-E137 WeakPolarHBondContact O-CB 3.42Å; K133-E137 WeakPolarHBondContact O-CG 3.3Å; K133-E137 PolarHBondContact O-N 2.64Å; E134-E137 PolarHBondContact O-N 2.77Å; E137-A139 PolarHBondContact O-N 2.87Å; E137-W140 WeakPolarHBondContact O-CB 3.5Å; E137-W140 PolarHBondContact O-N 3.17Å; E137-A141 PolarHBondContact O-N 3.13Å |
| 138 | E | 97.2 | Very high | 95.2 | Very high | 120 Ų | 120 | 65.4 Ų | 65.4 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.8 | -47 | 172.9 | -70.7 | -179 | 167.6 | 0 | 0 | 112.2 | E134 W140 A141 V142 | E134-E138 WeakPolarHBondContact O-CG 3.48Å; E134-E138 PolarHBondContact O-N 2.85Å; E138-W140 VanDerWaalsContact C-N 3.29Å; E138-W140 PolarHBondContact O-N 2.85Å; E138-A141 PolarHBondContact O-N 3.49Å; E138-V142 WeakPolarHBondContact O-CG2 3.49Å; E138-V142 PolarHBondContact O-N 2.96Å; E138-V142 VanDerWaalsContact O-N 3.11Å |
| 139 | A | 97.3 | Very high | 94.9 | Very high | 53 Ų | 53 | 67.2 Ų | 67.2 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R135 L136 E137 V142 E143 | R135-A139 VanDerWaalsContact O-CB 3.31Å; R135-A139 WeakPolarHBondContact O-CB 3.28Å; R135-A139 PolarHBondContact O-N 3.13Å; L136-A139 PolarHBondContact O-N 3.48Å; E137-A139 PolarHBondContact O-N 2.87Å; A139-V142 PolarHBondContact O-N 3.29Å; A139-E143 WeakPolarHBondContact O-CB 3.49Å; A139-E143 PolarHBondContact O-N 3.41Å |
| 140 | W | 97.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 70.1 Ų | 70.1 | 1% | 0.011 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175.8 | -179.5 | -113.9 | 0 | 0 | 0 | 111.7 | K18 F20 W51 Q53 L136 E137 E138 V142 E143 V144 | K18-W140 HydrophobicContact CB-CH2 3.85Å; K18-W140 HydrophobicContact CB-CZ2 4.3Å; K18-W140 HydrophobicContact CD-CH2 4.24Å; K18-W140 HydrophobicContact CD-CZ3 4.22Å; K18-W140 HydrophobicContact CG-CH2 3.97Å; K18-W140 HydrophobicContact CG-CZ3 4.44Å; F20-W140 AromaticContact CE1-CD1 3.74Å; W51-W140 HydrophobicContact CB-CH2 4.22Å; W51-W140 AromaticContact CD1-CH2 3.86Å; W51-W140 HydrophobicContact CD2-CH2 4.07Å; W51-W140 HydrophobicContact CD2-CZ3 4.25Å; W51-W140 AromaticContact CG-CH2 3.78Å; W51-W140 HydrophobicContact CG-CH2 3.78Å; W51-W140 HydrophobicContact CG-CZ3 4.4Å; W51-W140 VanDerWaalsContact O-CZ2 3.28Å; W51-W140 WeakPolarHBondContact O-CZ2 3.45Å; Q53-W140 HydrophobicContact CB-CB 4.48Å; Q53-W140 HydrophobicContact CB-CD2 3.71Å; Q53-W140 HydrophobicContact CB-CE3 4.26Å; Q53-W140 HydrophobicContact CB-CG 3.79Å; Q53-W140 HydrophobicContact CB-CZ2 4.45Å; L136-W140 VanDerWaalsContact O-CB 3.25Å; L136-W140 WeakPolarHBondContact O-CB 3.47Å; L136-W140 PolarHBondContact O-N 2.65Å; E137-W140 WeakPolarHBondContact O-CB 3.5Å; E137-W140 PolarHBondContact O-N 3.17Å; E138-W140 VanDerWaalsContact C-N 3.29Å; E138-W140 PolarHBondContact O-N 2.85Å; W140-V142 PolarHBondContact O-N 2.89Å; W140-E143 PolarHBondContact O-N 3.48Å; W140-E143 VanDerWaalsContact O-N 3.16Å; W140-V144 HydrophobicContact CD2-CG2 3.83Å; W140-V144 HydrophobicContact CE3-CG2 4.38Å; W140-V144 HydrophobicContact CG-CG2 4.26Å; W140-V144 HydrophobicContact CH2-CG2 4.21Å; W140-V144 HydrophobicContact CZ2-CG2 3.61Å; W140-V144 WeakPolarHBondContact O-CB 3.06Å; W140-V144 VanDerWaalsContact O-CG2 3.31Å; W140-V144 WeakPolarHBondContact O-CG2 3.36Å; W140-V144 PolarHBondContact O-N 3.27Å |
| 141 | A | 97.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 68.9 Ų | 68.9 | 26% | 0.256 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F20 M77 E137 E138 E143 V144 E145 | F20-A141 HydrophobicContact CE1-CB 4.5Å; F20-A141 HydrophobicContact CZ-CB 3.84Å; M77-A141 HydrophobicContact CE-CB 4.03Å; E137-A141 PolarHBondContact O-N 3.13Å; E138-A141 PolarHBondContact O-N 3.49Å; A141-E143 VanDerWaalsContact C-N 3.28Å; A141-E143 PolarHBondContact O-N 2.67Å; A141-V144 PolarHBondContact O-N 2.71Å; A141-E145 WeakPolarHBondContact O-CB 3.39Å; A141-E145 PolarHBondContact O-N 3.13Å |
| 142 | V | 97.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 65.8 Ų | 65.8 | 39% | 0.394 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | E138 A139 W140 K146 | E138-V142 WeakPolarHBondContact O-CG2 3.49Å; E138-V142 PolarHBondContact O-N 2.96Å; E138-V142 VanDerWaalsContact O-N 3.11Å; A139-V142 PolarHBondContact O-N 3.29Å; W140-V142 PolarHBondContact O-N 2.89Å; V142-K146 HydrophobicContact CG1-CD 4.01Å; V142-K146 WeakPolarHBondContact O-CB 3.41Å; V142-K146 VanDerWaalsContact O-CG 3.23Å; V142-K146 WeakPolarHBondContact O-CG 3.18Å; V142-K146 PolarHBondContact O-N 3.2Å |
| 143 | E | 96.4 | Very high | 93 | Very high | 76 Ų | 76 | 68.4 Ų | 68.4 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70 | -43.1 | 179.6 | -174.1 | 170.2 | -173 | 0 | 0 | 112.6 | K18 A139 W140 A141 Y147 | K18-E143 HydrophobicContact CD-CG 4.12Å; K18-E143 IonicContact NZ-OE1 2.65Å; K18-E143 PolarHBondContact NZ-OE1 3.05Å; A139-E143 WeakPolarHBondContact O-CB 3.49Å; A139-E143 PolarHBondContact O-N 3.41Å; W140-E143 PolarHBondContact O-N 3.48Å; W140-E143 VanDerWaalsContact O-N 3.16Å; A141-E143 VanDerWaalsContact C-N 3.28Å; A141-E143 PolarHBondContact O-N 2.67Å; E143-Y147 VanDerWaalsContact O-CB 3.3Å; E143-Y147 WeakPolarHBondContact O-CB 3.36Å; E143-Y147 PolarHBondContact O-N 2.8Å |
| 144 | V | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | K18 F20 W140 A141 K146 Y147 H148 | K18-V144 HydrophobicContact CB-CG2 4.21Å; F20-V144 HydrophobicContact CD2-CG1 3.8Å; F20-V144 HydrophobicContact CE2-CB 4.09Å; F20-V144 HydrophobicContact CE2-CG1 3.74Å; F20-V144 HydrophobicContact CG-CG1 4.5Å; F20-V144 HydrophobicContact CZ-CB 4.28Å; F20-V144 HydrophobicContact CZ-CG1 4.38Å; W140-V144 HydrophobicContact CD2-CG2 3.83Å; W140-V144 HydrophobicContact CE3-CG2 4.38Å; W140-V144 HydrophobicContact CG-CG2 4.26Å; W140-V144 HydrophobicContact CH2-CG2 4.21Å; W140-V144 HydrophobicContact CZ2-CG2 3.61Å; W140-V144 WeakPolarHBondContact O-CB 3.06Å; W140-V144 VanDerWaalsContact O-CG2 3.31Å; W140-V144 WeakPolarHBondContact O-CG2 3.36Å; W140-V144 PolarHBondContact O-N 3.27Å; A141-V144 PolarHBondContact O-N 2.71Å; V144-K146 PolarHBondContact O-N 2.86Å; V144-Y147 WeakPolarHBondContact O-CA 3.45Å; V144-Y147 WeakPolarHBondContact O-CB 3.38Å; V144-Y147 PolarHBondContact O-N 3.02Å; V144-Y147 VanDerWaalsContact O-N 3.12Å; V144-H148 WeakPolarHBondContact CG1-CE1 3.48Å; V144-H148 WeakPolarHBondContact CG1-NE2 3.32Å; V144-H148 PolarHBondContact O-N 3.09Å |
| 145 | E | 93.1 | Very high | 90.4 | Very high | 123 Ų | 123 | 70.5 Ų | 70.5 | 58% | 0.575 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.8 | -46.9 | 177.5 | -178 | -178.4 | -153.1 | 0 | 0 | 111.9 | A141 Y147 H148 C149 | A141-E145 WeakPolarHBondContact O-CB 3.39Å; A141-E145 PolarHBondContact O-N 3.13Å; E145-Y147 VanDerWaalsContact C-N 3.28Å; E145-Y147 PolarHBondContact O-N 2.97Å; E145-H148 PolarHBondContact O-N 2.82Å; E145-C149 WeakPolarHBondContact O-CB 3.42Å; E145-C149 PolarHBondContact O-N 3.18Å; E145-C149 PolarHBondContact O-SG 3.21Å; E145-C149 VanDerWaalsContact O-SG 3.33Å |
| 146 | K | 92.9 | Very high | 88.3 | Confident | 142 Ų | 142 | 64.4 Ų | 64.4 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 175.3 | -77 | 173 | -178.5 | 171.8 | 0 | 111.9 | V142 V144 W150 | V142-K146 HydrophobicContact CG1-CD 4.01Å; V142-K146 WeakPolarHBondContact O-CB 3.41Å; V142-K146 VanDerWaalsContact O-CG 3.23Å; V142-K146 WeakPolarHBondContact O-CG 3.18Å; V142-K146 PolarHBondContact O-N 3.2Å; V144-K146 PolarHBondContact O-N 2.86Å; K146-W150 WeakPolarHBondContact O-CB 3.47Å; K146-W150 PolarHBondContact O-N 3.5Å |
| 147 | Y | 92.4 | Very high | 86.2 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 176.5 | 176.5 | -102.9 | 0 | 0 | 0 | 111.5 | M16 R17 K18 E143 V144 E145 W150 L151 | M16-Y147 PolarHBondContact O-OH 2.86Å; R17-Y147 WeakPolarHBondContact CD-OH 3.24Å; R17-Y147 PolarHBondContact NH1-OH 3.01Å; K18-Y147 HydrophobicContact CB-CD1 3.83Å; K18-Y147 HydrophobicContact CB-CE1 4.29Å; K18-Y147 HydrophobicContact CB-CG 4.12Å; K18-Y147 HydrophobicContact CD-CD2 4.48Å; K18-Y147 HydrophobicContact CD-CG 4.3Å; K18-Y147 HydrophobicContact CG-CD1 4.43Å; K18-Y147 HydrophobicContact CG-CG 4.36Å; E143-Y147 VanDerWaalsContact O-CB 3.3Å; E143-Y147 WeakPolarHBondContact O-CB 3.36Å; E143-Y147 PolarHBondContact O-N 2.8Å; V144-Y147 WeakPolarHBondContact O-CA 3.45Å; V144-Y147 WeakPolarHBondContact O-CB 3.38Å; V144-Y147 PolarHBondContact O-N 3.02Å; V144-Y147 VanDerWaalsContact O-N 3.12Å; E145-Y147 VanDerWaalsContact C-N 3.28Å; E145-Y147 PolarHBondContact O-N 2.97Å; Y147-W150 HydrophobicContact CD2-CE3 4.03Å; Y147-W150 HydrophobicContact CD2-CZ3 4.31Å; Y147-W150 AromaticContact CE2-CE3 3.92Å; Y147-W150 HydrophobicContact CE2-CE3 3.92Å; Y147-W150 AromaticContact CE2-CZ3 3.74Å; Y147-W150 HydrophobicContact CE2-CZ3 3.74Å; Y147-W150 PolarHBondContact O-N 2.98Å; Y147-L151 HydrophobicContact CD1-CD1 3.92Å; Y147-L151 HydrophobicContact CD1-CG 4.34Å; Y147-L151 HydrophobicContact CE1-CD1 3.29Å; Y147-L151 HydrophobicContact CE1-CD2 4.46Å; Y147-L151 HydrophobicContact CE1-CG 3.89Å; Y147-L151 HydrophobicContact CE2-CD2 4.47Å; Y147-L151 HydrophobicContact CE2-CG 4.4Å; Y147-L151 WeakPolarHBondContact O-CG 3.43Å; Y147-L151 PolarHBondContact O-N 3.07Å |
| 148 | H | 90.5 | Very high | 83.7 | Confident | 20 Ų | 20 | 71 Ų | 71 | 9% | 0.093 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 175.5 | -64 | 168.2 | 0 | 0 | 0 | 112.5 | K18 E23 V40 V144 E145 W150 L151 G152 | K18-H148 PolarHBondContact O-NE2 3.2Å; E23-H148 IonicContact OE1-CE1 3.76Å; E23-H148 PolarHBondContact OE1-CE1 2.83Å; E23-H148 IonicContact OE1-ND1 3.57Å; E23-H148 IonicContact OE1-NE2 2.86Å; E23-H148 PolarHBondContact OE1-NE2 2.83Å; E23-H148 IonicContact OE2-CE1 2.6Å; E23-H148 PolarHBondContact OE2-CE1 3.2Å; E23-H148 VanDerWaalsContact OE2-CE1 3.24Å; E23-H148 IonicContact OE2-NE2 3.24Å; V40-H148 HydrophobicContact CG1-CB 3.96Å; V144-H148 WeakPolarHBondContact CG1-CE1 3.48Å; V144-H148 WeakPolarHBondContact CG1-NE2 3.32Å; V144-H148 PolarHBondContact O-N 3.09Å; E145-H148 PolarHBondContact O-N 2.82Å; H148-W150 VanDerWaalsContact C-N 3.25Å; H148-W150 PolarHBondContact O-N 3.48Å; H148-L151 CarbonylContact O-C 3.45Å; H148-L151 WeakPolarHBondContact O-CB 3.06Å; H148-L151 PolarHBondContact O-N 3.03Å; H148-L151 VanDerWaalsContact O-N 3.07Å; H148-G152 PolarHBondContact O-N 3.24Å |
| 149 | C | 88.9 | Confident | 80.9 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 49% | 0.486 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.2 | -42.3 | 173.9 | -73.4 | 0 | 0 | 0 | 0 | 111.8 | E145 G152 S153 | E145-C149 WeakPolarHBondContact O-CB 3.42Å; E145-C149 PolarHBondContact O-N 3.18Å; E145-C149 PolarHBondContact O-SG 3.21Å; E145-C149 VanDerWaalsContact O-SG 3.33Å; C149-G152 PolarHBondContact O-N 3.25Å; C149-S153 PolarHBondContact O-N 3.19Å; C149-S153 VanDerWaalsContact O-N 3.09Å; C149-S153 PolarHBondContact O-OG 2.87Å |
| 150 | W | 88.5 | Confident | 80 | Confident | 146 Ų | 146 | 78.7 Ų | 78.7 | 55% | 0.553 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.3 | -46.6 | 174.4 | 171.4 | 77.5 | 0 | 0 | 0 | 111.7 | K146 Y147 H148 G152 S153 T154 | K146-W150 WeakPolarHBondContact O-CB 3.47Å; K146-W150 PolarHBondContact O-N 3.5Å; Y147-W150 HydrophobicContact CD2-CE3 4.03Å; Y147-W150 HydrophobicContact CD2-CZ3 4.31Å; Y147-W150 AromaticContact CE2-CE3 3.92Å; Y147-W150 HydrophobicContact CE2-CE3 3.92Å; Y147-W150 AromaticContact CE2-CZ3 3.74Å; Y147-W150 HydrophobicContact CE2-CZ3 3.74Å; Y147-W150 PolarHBondContact O-N 2.98Å; H148-W150 VanDerWaalsContact C-N 3.25Å; H148-W150 PolarHBondContact O-N 3.48Å; W150-G152 VanDerWaalsContact C-N 3.33Å; W150-G152 PolarHBondContact O-N 3.37Å; W150-S153 WeakPolarHBondContact O-CA 3.43Å; W150-S153 WeakPolarHBondContact O-CB 3.47Å; W150-S153 PolarHBondContact O-N 3.06Å; W150-T154 HydrophobicContact CD2-CG2 4.38Å; W150-T154 HydrophobicContact CH2-CG2 4.49Å; W150-T154 HydrophobicContact CZ2-CG2 4.04Å; W150-T154 WeakPolarHBondContact O-CG2 3.43Å; W150-T154 PolarHBondContact O-N 2.83Å; W150-T154 VanDerWaalsContact O-N 3.13Å |
| 151 | L | 85.4 | Confident | 79.1 | Confident | 3 Ų | 3 | 82.7 Ų | 82.7 | 2% | 0.016 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 175 | -74.4 | -178.6 | 0 | 0 | 0 | 112.1 | F45 Y147 H148 S153 T154 | F45-L151 HydrophobicContact CE1-CB 4.42Å; F45-L151 HydrophobicContact CE1-CD2 4.37Å; F45-L151 HydrophobicContact CE2-CB 4.3Å; F45-L151 HydrophobicContact CZ-CB 3.94Å; Y147-L151 HydrophobicContact CD1-CD1 3.92Å; Y147-L151 HydrophobicContact CD1-CG 4.34Å; Y147-L151 HydrophobicContact CE1-CD1 3.29Å; Y147-L151 HydrophobicContact CE1-CD2 4.46Å; Y147-L151 HydrophobicContact CE1-CG 3.89Å; Y147-L151 HydrophobicContact CE2-CD2 4.47Å; Y147-L151 HydrophobicContact CE2-CG 4.4Å; Y147-L151 WeakPolarHBondContact O-CG 3.43Å; Y147-L151 PolarHBondContact O-N 3.07Å; H148-L151 CarbonylContact O-C 3.45Å; H148-L151 WeakPolarHBondContact O-CB 3.06Å; H148-L151 PolarHBondContact O-N 3.03Å; H148-L151 VanDerWaalsContact O-N 3.07Å; L151-S153 PolarHBondContact O-N 3.47Å; L151-T154 PolarHBondContact O-N 3.42Å; L151-T154 PolarHBondContact O-OG1 2.99Å |
| 152 | G | 80.7 | Confident | 78.1 | Confident | 26 Ų | 26 | 85.6 Ų | 85.6 | 27% | 0.268 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.3 | -28.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K43 H148 C149 W150 | K43-G152 PolarHBondContact NZ-O 3.38Å; H148-G152 PolarHBondContact O-N 3.24Å; C149-G152 PolarHBondContact O-N 3.25Å; W150-G152 VanDerWaalsContact C-N 3.33Å; W150-G152 PolarHBondContact O-N 3.37Å |
| 153 | S | 81.6 | Confident | 77 | Confident | 104 Ų | 104 | 86.8 Ų | 86.8 | 73% | 0.727 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -81.6 | -18.9 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | C149 W150 L151 | C149-S153 PolarHBondContact O-N 3.19Å; C149-S153 VanDerWaalsContact O-N 3.09Å; C149-S153 PolarHBondContact O-OG 2.87Å; W150-S153 WeakPolarHBondContact O-CA 3.43Å; W150-S153 WeakPolarHBondContact O-CB 3.47Å; W150-S153 PolarHBondContact O-N 3.06Å; L151-S153 PolarHBondContact O-N 3.47Å |
| 154 | T | 71.9 | Confident | 75.8 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 25% | 0.252 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -74.1 | 148.3 | 173.9 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | K43 W150 L151 G156 | K43-T154 PolarHBondContact NZ-O 2.63Å; W150-T154 HydrophobicContact CD2-CG2 4.38Å; W150-T154 HydrophobicContact CH2-CG2 4.49Å; W150-T154 HydrophobicContact CZ2-CG2 4.04Å; W150-T154 WeakPolarHBondContact O-CG2 3.43Å; W150-T154 PolarHBondContact O-N 2.83Å; W150-T154 VanDerWaalsContact O-N 3.13Å; L151-T154 PolarHBondContact O-N 3.42Å; L151-T154 PolarHBondContact O-OG1 2.99Å; T154-G156 PolarHBondContact O-N 3.2Å |
| 155 | K | 62.5 | Low | 74.5 | Confident | 198 Ų | 198 | 93.3 Ų | 93.3 | 86% | 0.861 | 51% | 0.508 | S | S | * | . | trans | -65 | 108.6 | 166 | -68.4 | -170.1 | 177.2 | -170.3 | 0 | 106.8 | ||||
| 156 | G | 54.7 | Low | 73.2 | Confident | 22 Ų | 22 | 91.1 Ų | 91.1 | 23% | 0.227 | 50% | 0.503 | C | S | . | . | trans | -60.7 | 156.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T154 G158 | T154-G156 PolarHBondContact O-N 3.2Å; G156-G158 VanDerWaalsContact C-N 3.34Å; G156-G158 PolarHBondContact O-N 2.98Å | ||
| 157 | V | 53 | Low | 71.7 | Confident | 141 Ų | 141 | 87.2 Ų | 87.2 | 86% | 0.855 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -71.2 | 95.9 | 168.5 | -177.1 | 0 | 0 | 0 | 0 | 106.4 | ||
| 158 | G | 44.1 | Very low | 69.9 | Low | 76 Ų | 76 | 92.2 Ų | 92.2 | 78% | 0.784 | 53% | 0.527 | S | S | * | . | trans | 141.2 | 39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | G156 | G156-G158 VanDerWaalsContact C-N 3.34Å; G156-G158 PolarHBondContact O-N 2.98Å | ||
| 159 | E | 37.4 | Very low | 68.1 | Low | 257 Ų | 257 | 98.7 Ų | 98.7 | 100% | 1.201 | 57% | 0.566 | S | S | * | * | trans | -109.2 | 0 | 148.3 | -78.3 | -176.2 | 165.3 | 0 | 0 | 109.3 |
Retrieved 159 of 159 residues in 102.9 ms
(Link to these results)