| 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 | 30.8 | Very low | 41.8 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 52% | 0.522 | 71% | 0.711 | S | S | . | * | 0 | 92.2 | 0 | -83.8 | -167.6 | -175.8 | 0 | 0 | 108.7 | L37 | M1-L37 HydrophobicContact CE-CB 4.16Å; M1-L37 HydrophobicContact CE-CD1 3.78Å; M1-L37 HydrophobicContact CE-CG 3.83Å | |||
| 2 | E | 31.7 | Very low | 45.3 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | trans | -116.3 | 139.9 | 168.8 | -64.8 | -175.3 | 140.8 | 0 | 0 | 107.8 | ||||
| 3 | S | 29 | Very low | 48.5 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 62% | 0.624 | S | S | * | * | trans | -107.1 | 93.6 | -173.8 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | Y | 29.5 | Very low | 51.4 | Low | 205 Ų | 205 | 120.3 Ų | 120.3 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | trans | -101.5 | 157.1 | 160.4 | -90.1 | -92 | 0 | 0 | 0 | 110.3 | ||||
| 5 | F | 37.7 | Very low | 54.1 | Low | 203 Ų | 203 | 114 Ų | 114 | 89% | 0.89 | 56% | 0.564 | S | S | * | * | trans | 72.8 | 124.8 | -173 | -59 | -76.5 | 0 | 0 | 0 | 116.3 | ||||
| 6 | E | 35.6 | Very low | 56.3 | Low | 174 Ų | 174 | 116.3 Ų | 116.3 | 81% | 0.813 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -81.2 | 172.9 | 174.8 | -61.6 | 169.8 | 115.4 | 0 | 0 | 110.7 | D8 | E6-D8 PolarHBondContact O-N 3.27Š|
| 7 | N | 36.4 | Very low | 58.3 | Low | 158 Ų | 158 | 110.2 Ų | 110.2 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 73.9 | -10.4 | 162.1 | -59.4 | -27.7 | 0 | 0 | 0 | 121 | ||
| 8 | D | 45.4 | Very low | 60 | Low | 143 Ų | 143 | 110.1 Ų | 110.1 | 77% | 0.765 | 53% | 0.533 | S | S | * | . | trans | -142.7 | 126.2 | 164.4 | -122.3 | -36.5 | 0 | 0 | 0 | 116 | E6 T10 | E6-D8 PolarHBondContact O-N 3.27Å; D8-T10 VanDerWaalsContact C-N 3.3Å; D8-T10 PolarHBondContact O-N 3.21Å | ||
| 9 | K | 53.3 | Low | 61.5 | Low | 181 Ų | 181 | 104.4 Ų | 104.4 | 79% | 0.787 | 51% | 0.506 | S | S | * | . | trans | -86.3 | 62 | -168.4 | -71.3 | -177 | -179.7 | 176.1 | 0 | 112.8 | ||||
| 10 | T | 58.3 | Low | 62.7 | Low | 108 Ų | 108 | 102.2 Ų | 102.2 | 66% | 0.663 | 50% | 0.495 | S | S | * | . | trans | -68.5 | 139.2 | 170.5 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | D8 | D8-T10 VanDerWaalsContact C-N 3.3Å; D8-T10 PolarHBondContact O-N 3.21Å | ||
| 11 | M | 72.6 | Confident | 63.9 | Low | 23 Ų | 23 | 99.1 Ų | 99.1 | 11% | 0.113 | 48% | 0.48 | C | S | . | . | trans | -83.1 | 123.5 | 169 | -65.1 | -173.4 | 177.1 | 0 | 0 | 108.6 | L37 Y38 F43 I167 P168 | M11-L37 HydrophobicContact CB-CD1 4.37Å; M11-L37 HydrophobicContact CB-CD2 3.83Å; M11-L37 HydrophobicContact CE-CD2 4.38Å; M11-L37 HydrophobicContact CG-CD2 3.56Å; M11-L37 HydrophobicContact SD-CD2 3.88Å; M11-Y38 HydrophobicContact CE-CD1 4.4Å; M11-Y38 HydrophobicContact CE-CE1 3.66Å; M11-Y38 HydrophobicContact CE-CE2 4.38Å; M11-Y38 HydrophobicContact SD-CE2 4.25Å; M11-Y38 PolarHBondContact SD-OH 2.9Å; M11-F43 HydrophobicContact CE-CE1 4.44Å; M11-F43 HydrophobicContact CE-CE2 3.45Å; M11-F43 VanDerWaalsContact CE-CE2 3.45Å; M11-F43 HydrophobicContact CE-CZ 3.28Å; M11-I167 HydrophobicContact CB-CG1 4.41Å; M11-I167 HydrophobicContact CB-CG2 4.29Å; M11-I167 HydrophobicContact SD-CD1 4.21Å; M11-I167 HydrophobicContact SD-CG1 4.18Å; M11-P168 WeakPolarHBondContact O-CD 3.35Å | ||
| 12 | L | 83 | Confident | 66.4 | Low | 53 Ų | 53 | 98.4 Ų | 98.4 | 28% | 0.277 | 48% | 0.484 | S | S | . | . | trans | -135.5 | 133.5 | 177.6 | 175.4 | 62.9 | 0 | 0 | 0 | 109.9 | P168 R170 | L12-P168 HydrophobicContact CD1-CB 4.08Å; L12-R170 HydrophobicContact CD1-CB 4.21Å; L12-R170 HydrophobicContact CD1-CG 3.85Å | ||
| 13 | I | 87.7 | Confident | 69.1 | Low | 3 Ų | 3 | 93.9 Ų | 93.9 | 2% | 0.015 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.3 | 163.2 | -65.7 | 170 | 0 | 0 | 0 | 107.1 | Y15 L30 D33 V34 L37 I167 P168 I169 R170 | I13-Y15 HydrophobicContact CG2-CD2 4.45Å; I13-Y15 HydrophobicContact CG2-CE1 4.32Å; I13-Y15 HydrophobicContact CG2-CE2 3.99Å; I13-L30 HydrophobicContact CD1-CD2 3.97Å; I13-L30 HydrophobicContact CG2-CD2 4.03Å; I13-D33 HydrophobicContact CD1-CB 4.27Å; I13-V34 HydrophobicContact CD1-CG2 3.73Å; I13-L37 HydrophobicContact CD1-CD1 4.39Å; I13-L37 HydrophobicContact CG1-CD1 3.77Å; I13-I167 HydrophobicContact CD1-CG2 4.05Å; I13-I167 HydrophobicContact CG1-CG2 4.16Å; I13-P168 PolarHBondContact N-O 3.18Å; I13-P168 VanDerWaalsContact N-O 3.09Å; I13-I169 HydrophobicContact CB-CG1 3.93Å; I13-I169 HydrophobicContact CG2-CG1 4.31Å; I13-I169 CarbonylContact O-C 3.59Å; I13-I169 VanDerWaalsContact O-CA 3.29Å; I13-I169 WeakPolarHBondContact O-CA 3.15Å; I13-R170 PolarHBondContact O-N 3.22Å |
| 14 | S | 88.4 | Confident | 71.9 | Confident | 35 Ų | 35 | 90.9 Ų | 90.9 | 25% | 0.245 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.3 | 174.9 | -51.5 | 0 | 0 | 0 | 0 | 109.7 | R170 | S14-R170 CarbonylContact C-O 3.54Å; S14-R170 VanDerWaalsContact CA-O 3.28Å; S14-R170 WeakPolarHBondContact CA-O 3.27Å |
| 15 | Y | 91.5 | Very high | 74.9 | Confident | 26 Ų | 26 | 83.1 Ų | 83.1 | 10% | 0.102 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 154.7 | 165.7 | -62.4 | -53.3 | 0 | 0 | 0 | 109.4 | I13 V27 L30 D33 L90 R170 I171 Y172 | I13-Y15 HydrophobicContact CG2-CD2 4.45Å; I13-Y15 HydrophobicContact CG2-CE1 4.32Å; I13-Y15 HydrophobicContact CG2-CE2 3.99Å; Y15-V27 HydrophobicContact CD2-CG1 3.72Å; Y15-V27 HydrophobicContact CE2-CG1 4.48Å; Y15-V27 HydrophobicContact CG-CG1 3.86Å; Y15-L30 HydrophobicContact CE2-CD2 3.63Å; Y15-L30 HydrophobicContact CE2-CG 4.24Å; Y15-L30 PolarHBondContact OH-N 3.38Å; Y15-D33 WeakPolarHBondContact CE1-OD2 3.31Å; Y15-D33 PolarHBondContact OH-OD2 2.79Å; Y15-L90 HydrophobicContact CD2-CD2 4.25Å; Y15-L90 HydrophobicContact CE2-CD2 4.18Å; Y15-R170 PolarHBondContact N-O 3.19Å; Y15-I171 WeakPolarHBondContact O-CA 3.26Å; Y15-Y172 WeakPolarHBondContact O-CD2 3.39Å; Y15-Y172 PolarHBondContact O-N 2.93Å |
| 16 | R | 90.3 | Very high | 77.6 | Confident | 150 Ų | 150 | 78.1 Ų | 78.1 | 57% | 0.566 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.5 | 174.5 | 177.7 | 171.3 | -96.2 | -124 | 2.6 | 105.9 | Y172 E174 | R16-Y172 WeakPolarHBondContact CA-O 3.44Å; R16-E174 WeakPolarHBondContact CD-OE1 3.46Å; R16-E174 HydrophobicContact CG-CG 3.78Å; R16-E174 IonicContact CZ-OE1 3.59Å; R16-E174 IonicContact NE-OE1 2.75Å; R16-E174 IonicContact NH1-OE1 2.65Å; R16-E174 PolarHBondContact NH1-OE1 3.48Å |
| 17 | I | 90.1 | Very high | 80.2 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.072 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 151.6 | -177.7 | 58.8 | 173.9 | 0 | 0 | 0 | 107.9 | L21 V27 F81 I96 I171 Y172 I173 E174 | I17-L21 HydrophobicContact CB-CD1 3.81Å; I17-L21 HydrophobicContact CD1-CD1 4.4Å; I17-L21 HydrophobicContact CG2-CD1 4.16Å; I17-V27 HydrophobicContact CG2-CG1 3.9Å; I17-V27 HydrophobicContact CG2-CG2 4.45Å; I17-F81 HydrophobicContact CD1-CE1 3.93Å; I17-F81 HydrophobicContact CD1-CZ 3.88Å; I17-I96 HydrophobicContact CD1-CG1 4.28Å; I17-I96 HydrophobicContact CD1-CG2 4.48Å; I17-I171 HydrophobicContact CD1-CG2 3.64Å; I17-I171 HydrophobicContact CG1-CG2 3.79Å; I17-Y172 PolarHBondContact N-O 3.06Å; I17-I173 HydrophobicContact CD1-CG1 4.49Å; I17-I173 HydrophobicContact CG1-CG1 4.39Å; I17-I173 CarbonylContact O-C 3.54Å; I17-I173 WeakPolarHBondContact O-CA 3.37Å; I17-E174 PolarHBondContact O-N 2.79Å |
| 18 | Q | 89.2 | Confident | 82.8 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 165.5 | 162.4 | -53 | -174.9 | -88.8 | 0 | 0 | 109.2 | L21 E174 I176 | Q18-L21 WeakPolarHBondContact O-CD1 3.43Å; Q18-L21 WeakPolarHBondContact O-CG 3.33Å; Q18-E174 WeakPolarHBondContact CA-O 3.32Å; Q18-E174 HydrophobicContact CG-CB 4.38Å; Q18-I176 HydrophobicContact CB-CD1 3.96Å; Q18-I176 HydrophobicContact CB-CG1 4.18Å |
| 19 | E | 88.3 | Confident | 85.1 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -73.8 | -168 | 162.6 | 69 | -179.4 | 119 | 0 | 0 | 112.3 | L21 I96 Y98 I173 E174 D175 I176 | E19-L21 PolarHBondContact O-N 2.89Å; E19-I96 HydrophobicContact CB-CG2 4.37Å; E19-Y98 WeakPolarHBondContact OE1-CB 3.25Å; E19-Y98 VanDerWaalsContact OE2-CB 3.24Å; E19-Y98 WeakPolarHBondContact OE2-CB 3.41Å; E19-Y98 PolarHBondContact OE2-N 2.8Å; E19-I173 HydrophobicContact CB-CG2 3.88Å; E19-E174 PolarHBondContact N-O 2.83Å; E19-E174 VanDerWaalsContact N-O 3.1Å; E19-D175 WeakPolarHBondContact OE1-CA 3.46Å; E19-I176 HydrophobicContact CG-CB 3.89Å; E19-I176 HydrophobicContact CG-CD1 3.85Å; E19-I176 HydrophobicContact CG-CG1 3.78Å; E19-I176 PolarHBondContact OE1-N 2.85Å |
| 20 | E | 85.7 | Confident | 86.9 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 55.4 | 6.9 | -177.2 | -69.4 | -54.3 | 93.1 | 0 | 0 | 116.6 | P22 R95 I96 I176 | E20-P22 WeakPolarHBondContact O-CD 3.29Å; E20-R95 VanDerWaalsContact CD-CZ 3.46Å; E20-R95 IonicContact OE1-CZ 2.7Å; E20-R95 IonicContact OE1-NE 2.67Å; E20-R95 PolarHBondContact OE1-NE 2.8Å; E20-R95 IonicContact OE1-NH1 3.69Å; E20-R95 IonicContact OE1-NH2 2.79Å; E20-R95 PolarHBondContact OE1-NH2 2.88Å; E20-R95 IonicContact OE2-CZ 3.52Å; E20-R95 VanDerWaalsContact OE2-CZ 3.23Å; E20-R95 IonicContact OE2-NE 3.63Å; E20-R95 PolarHBondContact OE2-NE 3.02Å; E20-R95 IonicContact OE2-NH2 3.64Å; E20-R95 PolarHBondContact OE2-NH2 3.35Å; E20-I96 PolarHBondContact N-O 3.47Å; E20-I176 HydrophobicContact CB-CD1 4.19Å |
| 21 | L | 86.4 | Confident | 88.3 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 20% | 0.199 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 123.2 | -179.5 | -67.1 | -174.2 | 0 | 0 | 0 | 111.2 | I17 Q18 E19 T25 T92 | I17-L21 HydrophobicContact CB-CD1 3.81Å; I17-L21 HydrophobicContact CD1-CD1 4.4Å; I17-L21 HydrophobicContact CG2-CD1 4.16Å; Q18-L21 WeakPolarHBondContact O-CD1 3.43Å; Q18-L21 WeakPolarHBondContact O-CG 3.33Å; E19-L21 PolarHBondContact O-N 2.89Å; L21-T25 HydrophobicContact CB-CG2 4.38Å; L21-T25 HydrophobicContact CD1-CG2 4.07Å; L21-T25 HydrophobicContact CD2-CG2 4.28Å; L21-T25 HydrophobicContact CG-CG2 4.49Å; L21-T92 HydrophobicContact CB-CG2 4.18Å; L21-T92 HydrophobicContact CD1-CG2 4.47Å |
| 22 | P | 85.1 | Confident | 89.1 | Confident | 91 Ų | 91 | 48.7 Ų | 48.7 | 59% | 0.591 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 149.8 | 176 | -26.8 | 35.4 | 0 | 0 | 0 | 112.3 | E20 G24 T25 T92 | E20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-G24 PolarHBondContact O-N 3.46Å; P22-T25 WeakPolarHBondContact O-CB 3.31Å; P22-T25 PolarHBondContact O-N 2.88Å; P22-T25 PolarHBondContact O-OG1 3.47Å; P22-T92 PolarHBondContact O-OG1 2.85Å |
| 23 | S | 86.6 | Confident | 89.4 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 132.8 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | Q93 | S23-Q93 VanDerWaalsContact CB-O 3.31Å; S23-Q93 WeakPolarHBondContact CB-O 3.27Å; S23-Q93 PolarHBondContact OG-O 3.06Å |
| 24 | G | 88.9 | Confident | 89.3 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 9.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P22 F91 T92 | P22-G24 PolarHBondContact O-N 3.46Å; G24-F91 WeakPolarHBondContact O-CD1 3.19Å; G24-T92 PolarHBondContact N-O 2.84Å; G24-T92 PolarHBondContact N-OG1 2.91Å |
| 25 | T | 92.5 | Very high | 89.1 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 26% | 0.258 | 27% | 0.265 | S | S | . | . | trans | -73.8 | 132.5 | 174.4 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | L21 P22 V27 F91 T92 | L21-T25 HydrophobicContact CB-CG2 4.38Å; L21-T25 HydrophobicContact CD1-CG2 4.07Å; L21-T25 HydrophobicContact CD2-CG2 4.28Å; L21-T25 HydrophobicContact CG-CG2 4.49Å; P22-T25 WeakPolarHBondContact O-CB 3.31Å; P22-T25 PolarHBondContact O-N 2.88Å; P22-T25 PolarHBondContact O-OG1 3.47Å; T25-V27 PolarHBondContact O-N 3.1Å; T25-F91 CarbonylContact O-C 3.57Å; T25-F91 WeakPolarHBondContact O-CA 3.09Å; T25-T92 PolarHBondContact N-OG1 2.71Å; T25-T92 PolarHBondContact O-N 3.27Å | ||
| 26 | L | 93.3 | Very high | 88.7 | Confident | 98 Ų | 98 | 52.2 Ų | 52.2 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 116.7 | 179.6 | 178.3 | 64.3 | 0 | 0 | 0 | 111.3 | D89 F91 | L26-D89 HydrophobicContact CD1-CB 3.62Å; L26-F91 HydrophobicContact CB-CD1 4.14Å; L26-F91 HydrophobicContact CB-CE1 3.97Å; L26-F91 HydrophobicContact CD1-CD1 4.26Å; L26-F91 HydrophobicContact CD1-CE1 3.89Å; L26-F91 HydrophobicContact CD1-CZ 4.15Å |
| 27 | V | 91.7 | Very high | 88.1 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -37.5 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | Y15 I17 T25 F81 L90 T92 | Y15-V27 HydrophobicContact CD2-CG1 3.72Å; Y15-V27 HydrophobicContact CE2-CG1 4.48Å; Y15-V27 HydrophobicContact CG-CG1 3.86Å; I17-V27 HydrophobicContact CG2-CG1 3.9Å; I17-V27 HydrophobicContact CG2-CG2 4.45Å; T25-V27 PolarHBondContact O-N 3.1Å; V27-F81 HydrophobicContact CG2-CD1 4.03Å; V27-F81 HydrophobicContact CG2-CE1 3.91Å; V27-L90 HydrophobicContact CB-CB 4.33Å; V27-L90 HydrophobicContact CB-CD2 4.3Å; V27-L90 HydrophobicContact CB-CG 4.23Å; V27-L90 WeakPolarHBondContact CB-O 3.43Å; V27-L90 HydrophobicContact CG1-CD2 4.18Å; V27-L90 PolarHBondContact N-O 2.71Å; V27-T92 HydrophobicContact CG2-CG2 4.1Å |
| 28 | G | 91.1 | Very high | 87.4 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 14% | 0.144 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L90 | G28-L90 PolarHBondContact O-N 3.11Å |
| 29 | N | 92.7 | Very high | 86.8 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 98.8 | 179.4 | -171.5 | -76 | 0 | 0 | 0 | 111.4 | F31 N32 D33 T87 G88 D89 | N29-F31 VanDerWaalsContact C-N 3.28Å; N29-F31 PolarHBondContact O-N 2.96Å; N29-F31 PolarHBondContact OD1-N 3.01Å; N29-N32 HydrophobicContact CB-CB 4.16Å; N29-N32 PolarHBondContact O-N 3.42Å; N29-N32 VanDerWaalsContact OD1-CB 3.24Å; N29-N32 WeakPolarHBondContact OD1-CB 3.38Å; N29-N32 PolarHBondContact OD1-N 3.37Å; N29-D33 PolarHBondContact O-N 3.04Å; N29-T87 PolarHBondContact ND2-O 3.27Å; N29-G88 CarbonylContact C-O 3.58Å; N29-G88 WeakPolarHBondContact CA-O 3.02Å; N29-D89 WeakPolarHBondContact CB-OD1 3.35Å; N29-D89 PolarHBondContact ND2-OD1 2.88Å |
| 30 | L | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -32.9 | -177.7 | -74.8 | 176.9 | 0 | 0 | 0 | 113 | I13 Y15 V34 F65 L67 L83 G88 L90 L154 I169 | I13-L30 HydrophobicContact CD1-CD2 3.97Å; I13-L30 HydrophobicContact CG2-CD2 4.03Å; Y15-L30 HydrophobicContact CE2-CD2 3.63Å; Y15-L30 HydrophobicContact CE2-CG 4.24Å; Y15-L30 PolarHBondContact OH-N 3.38Å; L30-V34 VanDerWaalsContact O-CB 3.27Å; L30-V34 WeakPolarHBondContact O-CB 3.5Å; L30-V34 WeakPolarHBondContact O-CG2 3.24Å; L30-V34 PolarHBondContact O-N 2.83Å; L30-F65 HydrophobicContact CB-CE1 4.39Å; L30-F65 HydrophobicContact CB-CZ 4.01Å; L30-L67 HydrophobicContact CD1-CD1 4.21Å; L30-L67 HydrophobicContact CD1-CD2 4.07Å; L30-L83 HydrophobicContact CD1-CD1 4.12Å; L30-L83 HydrophobicContact CD1-CD2 4.35Å; L30-G88 PolarHBondContact N-O 3.02Å; L30-L90 HydrophobicContact CD1-CB 4.39Å; L30-L90 HydrophobicContact CD1-CD2 4.36Å; L30-L90 HydrophobicContact CG-CB 4.46Å; L30-L154 HydrophobicContact CB-CD2 4.13Å; L30-L154 HydrophobicContact CD1-CD1 4.47Å; L30-L154 HydrophobicContact CD1-CD2 4.32Å; L30-L154 HydrophobicContact CD2-CD2 4.43Å; L30-I169 HydrophobicContact CD1-CD1 3.76Å; L30-I169 HydrophobicContact CD2-CD1 3.46Å; L30-I169 VanDerWaalsContact CD2-CD1 3.46Å; L30-I169 HydrophobicContact CD2-CG1 3.91Å; L30-I169 HydrophobicContact CG-CD1 4.29Å |
| 31 | F | 88.9 | Confident | 85 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.2 | -44.4 | -179.7 | 173.6 | -110.3 | 0 | 0 | 0 | 111.9 | N29 R35 L56 I59 L62 F65 | N29-F31 VanDerWaalsContact C-N 3.28Å; N29-F31 PolarHBondContact O-N 2.96Å; N29-F31 PolarHBondContact OD1-N 3.01Å; F31-R35 WeakPolarHBondContact O-CB 3.31Å; F31-R35 PolarHBondContact O-N 3Å; F31-L56 HydrophobicContact CE2-CB 4.21Å; F31-L56 HydrophobicContact CE2-CD1 4.22Å; F31-L56 HydrophobicContact CZ-CB 3.83Å; F31-I59 HydrophobicContact CB-CD1 3.79Å; F31-I59 HydrophobicContact CB-CG1 3.77Å; F31-I59 HydrophobicContact CD1-CG1 4.08Å; F31-I59 HydrophobicContact CD2-CD1 4.4Å; F31-I59 HydrophobicContact CD2-CG1 3.45Å; F31-I59 VanDerWaalsContact CD2-CG1 3.45Å; F31-I59 HydrophobicContact CE2-CG1 4.02Å; F31-I59 HydrophobicContact CG-CD1 4.05Å; F31-I59 HydrophobicContact CG-CG1 3.48Å; F31-I59 VanDerWaalsContact CG-CG1 3.48Å; F31-L62 HydrophobicContact CD2-CD1 4.28Å; F31-L62 HydrophobicContact CE2-CD1 4.26Å; F31-F65 HydrophobicContact CB-CE1 4.23Å; F31-F65 HydrophobicContact CB-CZ 3.95Å |
| 32 | N | 88 | Confident | 83.5 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.4 | -169.3 | 14 | 0 | 0 | 0 | 111 | N29 R35 K36 | N29-N32 HydrophobicContact CB-CB 4.16Å; N29-N32 PolarHBondContact O-N 3.42Å; N29-N32 VanDerWaalsContact OD1-CB 3.24Å; N29-N32 WeakPolarHBondContact OD1-CB 3.38Å; N29-N32 PolarHBondContact OD1-N 3.37Å; N32-R35 WeakPolarHBondContact O-CB 3.28Å; N32-R35 PolarHBondContact O-N 2.7Å; N32-K36 VanDerWaalsContact O-CG 3.32Å; N32-K36 WeakPolarHBondContact O-CG 3.16Å; N32-K36 PolarHBondContact O-N 2.84Å; N32-K36 VanDerWaalsContact OD1-CE 3.32Å; N32-K36 WeakPolarHBondContact OD1-CE 3.44Å |
| 33 | D | 89.4 | Confident | 82 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.4 | -38.6 | -179.8 | -67.4 | -31.2 | 0 | 0 | 0 | 112.9 | I13 Y15 N29 R35 K36 L37 | I13-D33 HydrophobicContact CD1-CB 4.27Å; Y15-D33 WeakPolarHBondContact CE1-OD2 3.31Å; Y15-D33 PolarHBondContact OH-OD2 2.79Å; N29-D33 PolarHBondContact O-N 3.04Å; D33-R35 VanDerWaalsContact C-N 3.32Å; D33-R35 PolarHBondContact O-N 3.26Å; D33-K36 PolarHBondContact O-N 2.99Å; D33-K36 IonicContact OD1-NZ 2.79Å; D33-K36 PolarHBondContact OD1-NZ 2.94Å; D33-L37 WeakPolarHBondContact O-CB 3.45Å; D33-L37 PolarHBondContact O-N 2.84Å |
| 34 | V | 85.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 166.7 | 166.3 | 0 | 0 | 0 | 0 | 110.6 | I13 L30 L37 Y38 I53 F65 L154 I167 | I13-V34 HydrophobicContact CD1-CG2 3.73Å; L30-V34 VanDerWaalsContact O-CB 3.27Å; L30-V34 WeakPolarHBondContact O-CB 3.5Å; L30-V34 WeakPolarHBondContact O-CG2 3.24Å; L30-V34 PolarHBondContact O-N 2.83Å; V34-L37 WeakPolarHBondContact O-CA 3.23Å; V34-L37 WeakPolarHBondContact O-CB 3.41Å; V34-L37 PolarHBondContact O-N 2.8Å; V34-L37 VanDerWaalsContact O-N 3.11Å; V34-Y38 HydrophobicContact CG1-CD2 3.94Å; V34-Y38 HydrophobicContact CG1-CE2 3.93Å; V34-Y38 WeakPolarHBondContact O-CD2 3.5Å; V34-Y38 PolarHBondContact O-N 2.99Å; V34-Y38 VanDerWaalsContact O-N 3.07Å; V34-I53 HydrophobicContact CG1-CG2 4.23Å; V34-F65 HydrophobicContact CG2-CE2 4.41Å; V34-L154 HydrophobicContact CG2-CD2 3.54Å; V34-I167 HydrophobicContact CG1-CD1 4.09Å; V34-I167 HydrophobicContact CG2-CD1 3.8Å |
| 35 | R | 83.9 | Confident | 78.3 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 28% | 0.275 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 179.3 | -173.5 | -176.8 | 143.7 | 175.1 | -10.9 | 111.7 | F31 N32 D33 L37 Y38 E39 T54 L56 | F31-R35 WeakPolarHBondContact O-CB 3.31Å; F31-R35 PolarHBondContact O-N 3Å; N32-R35 WeakPolarHBondContact O-CB 3.28Å; N32-R35 PolarHBondContact O-N 2.7Å; D33-R35 VanDerWaalsContact C-N 3.32Å; D33-R35 PolarHBondContact O-N 3.26Å; R35-L37 PolarHBondContact O-N 2.91Å; R35-Y38 PolarHBondContact O-N 2.82Å; R35-E39 IonicContact CZ-OE1 3.23Å; R35-E39 VanDerWaalsContact CZ-OE1 3.22Å; R35-E39 IonicContact NE-OE1 3.07Å; R35-E39 PolarHBondContact NE-OE1 2.88Å; R35-E39 IonicContact NH2-OE1 2.77Å; R35-E39 PolarHBondContact NH2-OE1 2.77Å; R35-E39 WeakPolarHBondContact O-CG 3.21Å; R35-E39 PolarHBondContact O-N 2.79Å; R35-T54 PolarHBondContact NE-O 3.01Å; R35-L56 PolarHBondContact NH1-O 2.91Å |
| 36 | K | 82.9 | Confident | 76.4 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 39% | 0.391 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.7 | -37.1 | 173.1 | -67.8 | 168 | -158.3 | 160.2 | 0 | 112 | N32 D33 E39 K40 | N32-K36 VanDerWaalsContact O-CG 3.32Å; N32-K36 WeakPolarHBondContact O-CG 3.16Å; N32-K36 PolarHBondContact O-N 2.84Å; N32-K36 VanDerWaalsContact OD1-CE 3.32Å; N32-K36 WeakPolarHBondContact OD1-CE 3.44Å; D33-K36 PolarHBondContact O-N 2.99Å; D33-K36 IonicContact OD1-NZ 2.79Å; D33-K36 PolarHBondContact OD1-NZ 2.94Å; K36-E39 PolarHBondContact O-N 2.91Å; K36-K40 VanDerWaalsContact O-CB 3.27Å; K36-K40 WeakPolarHBondContact O-CB 3.34Å; K36-K40 PolarHBondContact O-N 3.18Å |
| 37 | L | 78.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 177 | -139.7 | 155.9 | 0 | 0 | 0 | 110.5 | M1 M11 I13 D33 V34 R35 K40 F41 I167 | M1-L37 HydrophobicContact CE-CB 4.16Å; M1-L37 HydrophobicContact CE-CD1 3.78Å; M1-L37 HydrophobicContact CE-CG 3.83Å; M11-L37 HydrophobicContact CB-CD1 4.37Å; M11-L37 HydrophobicContact CB-CD2 3.83Å; M11-L37 HydrophobicContact CE-CD2 4.38Å; M11-L37 HydrophobicContact CG-CD2 3.56Å; M11-L37 HydrophobicContact SD-CD2 3.88Å; I13-L37 HydrophobicContact CD1-CD1 4.39Å; I13-L37 HydrophobicContact CG1-CD1 3.77Å; D33-L37 WeakPolarHBondContact O-CB 3.45Å; D33-L37 PolarHBondContact O-N 2.84Å; V34-L37 WeakPolarHBondContact O-CA 3.23Å; V34-L37 WeakPolarHBondContact O-CB 3.41Å; V34-L37 PolarHBondContact O-N 2.8Å; V34-L37 VanDerWaalsContact O-N 3.11Å; R35-L37 PolarHBondContact O-N 2.91Å; L37-K40 PolarHBondContact O-N 2.99Å; L37-F41 HydrophobicContact CD2-CD2 3.58Å; L37-F41 HydrophobicContact CD2-CE2 3.74Å; L37-F41 HydrophobicContact CG-CD2 4.37Å; L37-F41 HydrophobicContact CG-CE2 4.42Å; L37-F41 WeakPolarHBondContact O-CB 3.14Å; L37-F41 WeakPolarHBondContact O-CD2 3.26Å; L37-F41 PolarHBondContact O-N 3.22Å; L37-I167 HydrophobicContact CD1-CG2 4.4Å |
| 38 | Y | 75.4 | Confident | 73.1 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.2 | -33.7 | 175.7 | -77.3 | -81.8 | 0 | 0 | 0 | 113.8 | M11 V34 R35 F43 L49 A50 I53 R165 I167 | M11-Y38 HydrophobicContact CE-CD1 4.4Å; M11-Y38 HydrophobicContact CE-CE1 3.66Å; M11-Y38 HydrophobicContact CE-CE2 4.38Å; M11-Y38 HydrophobicContact SD-CE2 4.25Å; M11-Y38 PolarHBondContact SD-OH 2.9Å; V34-Y38 HydrophobicContact CG1-CD2 3.94Å; V34-Y38 HydrophobicContact CG1-CE2 3.93Å; V34-Y38 WeakPolarHBondContact O-CD2 3.5Å; V34-Y38 PolarHBondContact O-N 2.99Å; V34-Y38 VanDerWaalsContact O-N 3.07Å; R35-Y38 PolarHBondContact O-N 2.82Å; Y38-F43 HydrophobicContact CD1-CD2 4.18Å; Y38-F43 HydrophobicContact CD1-CE2 4.04Å; Y38-F43 HydrophobicContact CE1-CD2 4.44Å; Y38-F43 HydrophobicContact CE1-CE2 4.09Å; Y38-L49 HydrophobicContact CE1-CD2 3.74Å; Y38-L49 HydrophobicContact CE2-CD2 4.46Å; Y38-A50 HydrophobicContact CD1-CB 3.93Å; Y38-A50 HydrophobicContact CE1-CB 4.36Å; Y38-I53 HydrophobicContact CD2-CB 4.17Å; Y38-I53 HydrophobicContact CD2-CD1 3.9Å; Y38-I53 HydrophobicContact CD2-CG2 3.64Å; Y38-I53 HydrophobicContact CE2-CD1 3.69Å; Y38-I53 HydrophobicContact CE2-CG2 4.44Å; Y38-I53 HydrophobicContact CG-CB 4.22Å; Y38-I53 HydrophobicContact CG-CD1 4.48Å; Y38-I53 HydrophobicContact CG-CG2 4Å; Y38-R165 WeakPolarHBondContact OH-CG 3.44Å; Y38-I167 HydrophobicContact CE2-CD1 4.21Å |
| 39 | E | 75.3 | Confident | 71.7 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 38% | 0.379 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 172.5 | -71.9 | 178.6 | 179.3 | 0 | 0 | 111.9 | R35 K36 T54 | R35-E39 IonicContact CZ-OE1 3.23Å; R35-E39 VanDerWaalsContact CZ-OE1 3.22Å; R35-E39 IonicContact NE-OE1 3.07Å; R35-E39 PolarHBondContact NE-OE1 2.88Å; R35-E39 IonicContact NH2-OE1 2.77Å; R35-E39 PolarHBondContact NH2-OE1 2.77Å; R35-E39 WeakPolarHBondContact O-CG 3.21Å; R35-E39 PolarHBondContact O-N 2.79Å; K36-E39 PolarHBondContact O-N 2.91Å; E39-T54 HydrophobicContact CB-CG2 4.31Å; E39-T54 HydrophobicContact CG-CG2 3.56Å |
| 40 | K | 71.8 | Confident | 70.2 | Confident | 141 Ų | 141 | 62.5 Ų | 62.5 | 61% | 0.613 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -71.8 | -42.5 | -179.8 | -174.4 | 177.5 | -178.9 | -178.3 | 0 | 112.6 | K36 L37 K42 | K36-K40 VanDerWaalsContact O-CB 3.27Å; K36-K40 WeakPolarHBondContact O-CB 3.34Å; K36-K40 PolarHBondContact O-N 3.18Å; L37-K40 PolarHBondContact O-N 2.99Å; K40-K42 PolarHBondContact O-N 3.16Å |
| 41 | F | 64.9 | Low | 68.8 | Low | 75 Ų | 75 | 67.4 Ų | 67.4 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -81.2 | -7.1 | -172.1 | -87.1 | -88.4 | 0 | 0 | 0 | 115.3 | L37 F43 | L37-F41 HydrophobicContact CD2-CD2 3.58Å; L37-F41 HydrophobicContact CD2-CE2 3.74Å; L37-F41 HydrophobicContact CG-CD2 4.37Å; L37-F41 HydrophobicContact CG-CE2 4.42Å; L37-F41 WeakPolarHBondContact O-CB 3.14Å; L37-F41 WeakPolarHBondContact O-CD2 3.26Å; L37-F41 PolarHBondContact O-N 3.22Å; F41-F43 HydrophobicContact CB-CD2 4.27Å; F41-F43 HydrophobicContact CB-CE2 3.61Å; F41-F43 HydrophobicContact CB-CZ 4.01Å; F41-F43 PolarHBondContact O-N 2.57Å; F41-F43 VanDerWaalsContact O-N 3.08Å |
| 42 | K | 54.6 | Low | 67.9 | Low | 173 Ų | 173 | 71.9 Ų | 71.9 | 75% | 0.752 | 37% | 0.37 | S | S | * | . | trans | 26.7 | 68.4 | 172.1 | -87.6 | -168.1 | 175.7 | 179.5 | 0 | 113.7 | K40 T44 | K40-K42 PolarHBondContact O-N 3.16Å; K42-T44 PolarHBondContact O-N 3.15Å | ||
| 43 | F | 54 | Low | 67.1 | Low | 79 Ų | 79 | 68.5 Ų | 68.5 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | trans | -56.6 | 115.5 | -174.2 | -77.4 | -85.4 | 0 | 0 | 0 | 111.4 | M11 Y38 F41 T45 A50 | M11-F43 HydrophobicContact CE-CE1 4.44Å; M11-F43 HydrophobicContact CE-CE2 3.45Å; M11-F43 VanDerWaalsContact CE-CE2 3.45Å; M11-F43 HydrophobicContact CE-CZ 3.28Å; Y38-F43 HydrophobicContact CD1-CD2 4.18Å; Y38-F43 HydrophobicContact CD1-CE2 4.04Å; Y38-F43 HydrophobicContact CE1-CD2 4.44Å; Y38-F43 HydrophobicContact CE1-CE2 4.09Å; F41-F43 HydrophobicContact CB-CD2 4.27Å; F41-F43 HydrophobicContact CB-CE2 3.61Å; F41-F43 HydrophobicContact CB-CZ 4.01Å; F41-F43 PolarHBondContact O-N 2.57Å; F41-F43 VanDerWaalsContact O-N 3.08Å; F43-T45 PolarHBondContact O-N 2.83Å; F43-A50 HydrophobicContact CB-CB 3.91Å; F43-A50 HydrophobicContact CD2-CB 3.81Å; F43-A50 HydrophobicContact CG-CB 4.15Å | ||
| 44 | T | 48.6 | Very low | 66.2 | Low | 151 Ų | 151 | 68.9 Ų | 68.9 | 93% | 0.926 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -73.1 | -6.7 | 170.1 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | K42 | K42-T44 PolarHBondContact O-N 3.15Š|
| 45 | T | 49.2 | Very low | 65.6 | Low | 87 Ų | 87 | 73 Ų | 73 | 53% | 0.534 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -90.1 | 144.1 | 168.9 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | F43 S47 | F43-T45 PolarHBondContact O-N 2.83Å; T45-S47 PolarHBondContact O-N 2.85Å |
| 46 | S | 52.4 | Low | 65.2 | Low | 126 Ų | 126 | 70 Ų | 70 | 88% | 0.881 | 37% | 0.37 | S | S | * | . | trans | -74.8 | 35.7 | -170.2 | 47 | 0 | 0 | 0 | 0 | 115.5 | P48 | S46-P48 VanDerWaalsContact O-CD 3.32Å; S46-P48 WeakPolarHBondContact O-CD 3.35Å | ||
| 47 | S | 57.5 | Low | 64.7 | Low | 17 Ų | 17 | 73.3 Ų | 73.3 | 12% | 0.119 | 39% | 0.387 | C | S | . | . | trans | -64.6 | 118 | 174.5 | 165.4 | 0 | 0 | 0 | 0 | 110.5 | T45 L49 A50 T51 D163 | T45-S47 PolarHBondContact O-N 2.85Å; S47-L49 PolarHBondContact O-N 2.97Å; S47-L49 WeakPolarHBondContact OG-CB 3.46Å; S47-L49 PolarHBondContact OG-N 2.87Å; S47-A50 PolarHBondContact O-N 2.88Å; S47-A50 PolarHBondContact OG-N 2.87Å; S47-T51 PolarHBondContact O-OG1 2.81Å; S47-D163 PolarHBondContact OG-OD2 3.08Å | ||
| 48 | P | 59 | Low | 64.5 | Low | 72 Ų | 72 | 75 Ų | 75 | 47% | 0.468 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.2 | -11.6 | 174.2 | 30.7 | -35.5 | 0 | 0 | 0 | 112.3 | S46 R52 | S46-P48 VanDerWaalsContact O-CD 3.32Å; S46-P48 WeakPolarHBondContact O-CD 3.35Å; P48-R52 VanDerWaalsContact O-CB 3.29Å; P48-R52 WeakPolarHBondContact O-CB 3.22Å; P48-R52 WeakPolarHBondContact O-CG 3.4Å; P48-R52 PolarHBondContact O-N 3.04Å |
| 49 | L | 61.2 | Low | 64.6 | Low | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -78.8 | -41.2 | 175.3 | -178.2 | 133.5 | 0 | 0 | 0 | 111.8 | Y38 S47 T51 R52 I53 L158 D163 R165 | Y38-L49 HydrophobicContact CE1-CD2 3.74Å; Y38-L49 HydrophobicContact CE2-CD2 4.46Å; S47-L49 PolarHBondContact O-N 2.97Å; S47-L49 WeakPolarHBondContact OG-CB 3.46Å; S47-L49 PolarHBondContact OG-N 2.87Å; L49-T51 VanDerWaalsContact C-N 3.33Å; L49-T51 PolarHBondContact O-N 3.11Å; L49-R52 PolarHBondContact O-N 2.86Å; L49-I53 HydrophobicContact CD1-CD1 4.25Å; L49-I53 HydrophobicContact CD2-CD1 3.5Å; L49-I53 HydrophobicContact CD2-CG1 4.42Å; L49-I53 HydrophobicContact CG-CD1 3.65Å; L49-I53 HydrophobicContact CG-CG1 4.15Å; L49-I53 WeakPolarHBondContact O-CG1 3.02Å; L49-I53 PolarHBondContact O-N 2.92Å; L49-L158 HydrophobicContact CB-CD1 3.85Å; L49-L158 HydrophobicContact CD1-CB 4.31Å; L49-L158 HydrophobicContact CD1-CD1 3.88Å; L49-L158 HydrophobicContact CD1-CG 4.06Å; L49-L158 HydrophobicContact CG-CD1 3.76Å; L49-L158 HydrophobicContact CG-CG 4.38Å; L49-D163 HydrophobicContact CB-CB 3.88Å; L49-D163 VanDerWaalsContact CB-OD2 3.31Å; L49-D163 WeakPolarHBondContact CB-OD2 3.31Å; L49-D163 HydrophobicContact CD1-CB 4.09Å; L49-D163 VanDerWaalsContact CD1-O 3.24Å; L49-D163 WeakPolarHBondContact CD1-O 3.33Å; L49-R165 HydrophobicContact CD2-CG 4.05Å |
| 50 | A | 60.9 | Low | 64.6 | Low | 11 Ų | 11 | 78 Ų | 78 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y38 F43 S47 | Y38-A50 HydrophobicContact CD1-CB 3.93Å; Y38-A50 HydrophobicContact CE1-CB 4.36Å; F43-A50 HydrophobicContact CB-CB 3.91Å; F43-A50 HydrophobicContact CD2-CB 3.81Å; F43-A50 HydrophobicContact CG-CB 4.15Å; S47-A50 PolarHBondContact O-N 2.88Å; S47-A50 PolarHBondContact OG-N 2.87Å |
| 51 | T | 63.4 | Low | 64.8 | Low | 102 Ų | 102 | 75.2 Ų | 75.2 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -76.7 | -25.1 | 178.1 | -17.3 | 0 | 0 | 0 | 0 | 113.5 | S47 L49 T54 T55 | S47-T51 PolarHBondContact O-OG1 2.81Å; L49-T51 VanDerWaalsContact C-N 3.33Å; L49-T51 PolarHBondContact O-N 3.11Å; T51-T54 PolarHBondContact O-OG1 3.07Å; T51-T55 PolarHBondContact O-OG1 2.87Å |
| 52 | R | 69.4 | Low | 65.4 | Low | 120 Ų | 120 | 72 Ų | 72 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -86.1 | -40.6 | 178.5 | -83.7 | 179.6 | 166.2 | 172.1 | -1.5 | 113.4 | P48 L49 T54 T55 L56 L158 N160 | P48-R52 VanDerWaalsContact O-CB 3.29Å; P48-R52 WeakPolarHBondContact O-CB 3.22Å; P48-R52 WeakPolarHBondContact O-CG 3.4Å; P48-R52 PolarHBondContact O-N 3.04Å; L49-R52 PolarHBondContact O-N 2.86Å; R52-T54 VanDerWaalsContact C-N 3.27Å; R52-T54 PolarHBondContact O-N 3.1Å; R52-T55 CarbonylContact O-C 3.58Å; R52-T55 PolarHBondContact O-N 2.82Å; R52-T55 PolarHBondContact O-OG1 3.25Å; R52-L56 WeakPolarHBondContact O-CG 3.27Å; R52-L56 PolarHBondContact O-N 3.02Å; R52-L158 HydrophobicContact CB-CD1 3.57Å; R52-L158 HydrophobicContact CB-CD2 4.3Å; R52-L158 HydrophobicContact CG-CD1 4.41Å; R52-N160 PolarHBondContact NH1-O 3.44Å |
| 53 | I | 70.7 | Confident | 66.6 | Low | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.1 | -39.9 | -176.8 | -76.3 | 179.2 | 0 | 0 | 0 | 111.8 | V34 Y38 L49 T55 L56 V156 | V34-I53 HydrophobicContact CG1-CG2 4.23Å; Y38-I53 HydrophobicContact CD2-CB 4.17Å; Y38-I53 HydrophobicContact CD2-CD1 3.9Å; Y38-I53 HydrophobicContact CD2-CG2 3.64Å; Y38-I53 HydrophobicContact CE2-CD1 3.69Å; Y38-I53 HydrophobicContact CE2-CG2 4.44Å; Y38-I53 HydrophobicContact CG-CB 4.22Å; Y38-I53 HydrophobicContact CG-CD1 4.48Å; Y38-I53 HydrophobicContact CG-CG2 4Å; L49-I53 HydrophobicContact CD1-CD1 4.25Å; L49-I53 HydrophobicContact CD2-CD1 3.5Å; L49-I53 HydrophobicContact CD2-CG1 4.42Å; L49-I53 HydrophobicContact CG-CD1 3.65Å; L49-I53 HydrophobicContact CG-CG1 4.15Å; L49-I53 WeakPolarHBondContact O-CG1 3.02Å; L49-I53 PolarHBondContact O-N 2.92Å; I53-T55 PolarHBondContact O-N 2.04Å; I53-L56 HydrophobicContact CG1-CD1 4.43Å; I53-L56 PolarHBondContact O-N 2.98Å; I53-V156 HydrophobicContact CD1-CG1 3.94Å |
| 54 | T | 71.1 | Confident | 67.8 | Low | 36 Ų | 36 | 70.6 Ų | 70.6 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.2 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | R35 E39 T51 R52 | R35-T54 PolarHBondContact NE-O 3.01Å; E39-T54 HydrophobicContact CB-CG2 4.31Å; E39-T54 HydrophobicContact CG-CG2 3.56Å; T51-T54 PolarHBondContact O-OG1 3.07Å; R52-T54 VanDerWaalsContact C-N 3.27Å; R52-T54 PolarHBondContact O-N 3.1Å |
| 55 | T | 73.5 | Confident | 69.6 | Low | 87 Ų | 87 | 64 Ų | 64 | 53% | 0.534 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 7 | 176.6 | 53 | 0 | 0 | 0 | 0 | 113.4 | T51 R52 I53 | T51-T55 PolarHBondContact O-OG1 2.87Å; R52-T55 CarbonylContact O-C 3.58Å; R52-T55 PolarHBondContact O-N 2.82Å; R52-T55 PolarHBondContact O-OG1 3.25Å; I53-T55 PolarHBondContact O-N 2.04Å |
| 56 | L | 75 | Confident | 71.3 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | trans | -77.6 | 141.5 | 173.6 | -58.5 | -172.8 | 0 | 0 | 0 | 111.8 | F31 R35 R52 I53 Q61 L62 L158 | F31-L56 HydrophobicContact CE2-CB 4.21Å; F31-L56 HydrophobicContact CE2-CD1 4.22Å; F31-L56 HydrophobicContact CZ-CB 3.83Å; R35-L56 PolarHBondContact NH1-O 2.91Å; R52-L56 WeakPolarHBondContact O-CG 3.27Å; R52-L56 PolarHBondContact O-N 3.02Å; I53-L56 HydrophobicContact CG1-CD1 4.43Å; I53-L56 PolarHBondContact O-N 2.98Å; L56-Q61 HydrophobicContact CD1-CB 4.47Å; L56-Q61 HydrophobicContact CD2-CB 3.75Å; L56-Q61 HydrophobicContact CD2-CG 4.44Å; L56-L62 HydrophobicContact CD1-CD2 3.66Å; L56-L62 HydrophobicContact CD1-CG 3.89Å; L56-L158 HydrophobicContact CD1-CD2 4.08Å; L56-L158 HydrophobicContact CD2-CD2 4.28Å | ||
| 57 | H | 72.9 | Confident | 72.9 | Confident | 160 Ų | 160 | 58.1 Ų | 58.1 | 74% | 0.741 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -111.5 | -11.1 | 174.4 | -61.8 | -66.7 | 0 | 0 | 0 | 112.5 | ||
| 58 | S | 74.5 | Confident | 74 | Confident | 37 Ų | 37 | 59.8 Ų | 59.8 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | trans | -157.8 | 146.6 | 175.1 | -180 | 0 | 0 | 0 | 0 | 112.7 | K60 Q61 | S58-K60 PolarHBondContact O-N 3.43Å; S58-K60 VanDerWaalsContact O-N 3.08Å; S58-K60 PolarHBondContact OG-N 2.74Å; S58-Q61 VanDerWaalsContact N-OE1 3.1Å; S58-Q61 WeakPolarHBondContact O-CB 3.33Å; S58-Q61 PolarHBondContact O-N 3.3Å; S58-Q61 PolarHBondContact O-OE1 2.79Å | ||
| 59 | I | 77.7 | Confident | 74.9 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -52.4 | -28.5 | 170.8 | -63.9 | 167.8 | 0 | 0 | 0 | 112.1 | F31 Q61 L62 F65 Q85 T87 | F31-I59 HydrophobicContact CB-CD1 3.79Å; F31-I59 HydrophobicContact CB-CG1 3.77Å; F31-I59 HydrophobicContact CD1-CG1 4.08Å; F31-I59 HydrophobicContact CD2-CD1 4.4Å; F31-I59 HydrophobicContact CD2-CG1 3.45Å; F31-I59 VanDerWaalsContact CD2-CG1 3.45Å; F31-I59 HydrophobicContact CE2-CG1 4.02Å; F31-I59 HydrophobicContact CG-CD1 4.05Å; F31-I59 HydrophobicContact CG-CG1 3.48Å; F31-I59 VanDerWaalsContact CG-CG1 3.48Å; I59-Q61 PolarHBondContact O-N 3.14Å; I59-L62 HydrophobicContact CG2-CD1 4.39Å; I59-L62 WeakPolarHBondContact O-CB 3.17Å; I59-L62 PolarHBondContact O-N 3.36Å; I59-F65 HydrophobicContact CD1-CD1 3.97Å; I59-F65 HydrophobicContact CD1-CE1 3.98Å; I59-F65 HydrophobicContact CG1-CD1 4.29Å; I59-F65 HydrophobicContact CG1-CE1 4.45Å; I59-F65 HydrophobicContact CG2-CB 3.86Å; I59-F65 HydrophobicContact CG2-CD1 4.04Å; I59-F65 HydrophobicContact CG2-CG 4.11Å; I59-Q85 WeakPolarHBondContact CG2-O 2.43Å; I59-T87 VanDerWaalsContact CD1-C 3.46Å |
| 60 | K | 74.7 | Confident | 75.6 | Confident | 134 Ų | 134 | 64.1 Ų | 64.1 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -57.9 | -15.7 | 177 | -65.4 | 176.9 | -179.7 | 175.4 | 0 | 113.4 | S58 K159 | S58-K60 PolarHBondContact O-N 3.43Å; S58-K60 VanDerWaalsContact O-N 3.08Å; S58-K60 PolarHBondContact OG-N 2.74Å; K60-K159 PolarHBondContact O-NZ 2.81Å |
| 61 | Q | 75.3 | Confident | 76 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -85.9 | -18 | 174.6 | -58.7 | 174.6 | -74.9 | 0 | 0 | 113.7 | L56 S58 I59 | L56-Q61 HydrophobicContact CD1-CB 4.47Å; L56-Q61 HydrophobicContact CD2-CB 3.75Å; L56-Q61 HydrophobicContact CD2-CG 4.44Å; S58-Q61 VanDerWaalsContact N-OE1 3.1Å; S58-Q61 WeakPolarHBondContact O-CB 3.33Å; S58-Q61 PolarHBondContact O-N 3.3Å; S58-Q61 PolarHBondContact O-OE1 2.79Å; I59-Q61 PolarHBondContact O-N 3.14Å |
| 62 | L | 77.8 | Confident | 75.7 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 159 | 171.2 | -64 | 168.6 | 0 | 0 | 0 | 110.7 | F31 L56 I59 F65 V156 S157 L158 K159 | F31-L62 HydrophobicContact CD2-CD1 4.28Å; F31-L62 HydrophobicContact CE2-CD1 4.26Å; L56-L62 HydrophobicContact CD1-CD2 3.66Å; L56-L62 HydrophobicContact CD1-CG 3.89Å; I59-L62 HydrophobicContact CG2-CD1 4.39Å; I59-L62 WeakPolarHBondContact O-CB 3.17Å; I59-L62 PolarHBondContact O-N 3.36Å; L62-F65 HydrophobicContact CD1-CB 3.89Å; L62-F65 HydrophobicContact CD1-CD2 3.48Å; L62-F65 VanDerWaalsContact CD1-CD2 3.48Å; L62-F65 HydrophobicContact CD1-CE2 4.23Å; L62-F65 HydrophobicContact CD1-CG 3.87Å; L62-V156 HydrophobicContact CD1-CG1 4.35Å; L62-V156 HydrophobicContact CD2-CG1 3.99Å; L62-S157 WeakPolarHBondContact CB-O 3.5Å; L62-L158 HydrophobicContact CD2-CD2 3.98Å; L62-L158 HydrophobicContact CD2-CG 4.2Å; L62-K159 WeakPolarHBondContact O-CD 3.43Å; L62-K159 WeakPolarHBondContact O-CE 3.34Å; L62-K159 PolarHBondContact O-NZ 3.08Å |
| 63 | R | 79 | Confident | 75.1 | Confident | 147 Ų | 147 | 72 Ų | 72 | 56% | 0.555 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -39.5 | 170.1 | 170.1 | 177.2 | 166 | -133.2 | -6.5 | 110.8 | S157 L158 K159 E164 | R63-S157 PolarHBondContact N-O 3.11Å; R63-L158 WeakPolarHBondContact CB-O 3.35Å; R63-K159 HydrophobicContact CB-CG 4.07Å; R63-E164 IonicContact CZ-OE1 3.37Å; R63-E164 IonicContact NH1-OE1 2.7Å; R63-E164 PolarHBondContact NH1-OE1 3.48Å; R63-E164 IonicContact NH2-OE1 3.78Å |
| 64 | K | 81 | Confident | 74.4 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 33% | 0.326 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 133.1 | -175.1 | -155.5 | 172.1 | -179.2 | -158.2 | 0 | 109 | E66 F155 S157 | K64-E66 WeakPolarHBondContact CE-OE1 3.39Å; K64-E66 WeakPolarHBondContact CE-OE2 3.41Å; K64-E66 HydrophobicContact CG-CG 4.31Å; K64-E66 WeakPolarHBondContact CG-OE1 3.29Å; K64-E66 IonicContact NZ-OE1 3.22Å; K64-E66 IonicContact NZ-OE2 2.94Å; K64-E66 PolarHBondContact NZ-OE2 3.47Å; K64-F155 HydrophobicContact CB-CD1 3.8Å; K64-F155 HydrophobicContact CB-CE1 3.77Å; K64-F155 HydrophobicContact CD-CD1 3.61Å; K64-F155 HydrophobicContact CD-CE1 3.56Å; K64-F155 HydrophobicContact CG-CD1 3.74Å; K64-F155 HydrophobicContact CG-CE1 3.97Å; K64-S157 PolarHBondContact N-O 3.46Å; K64-S157 PolarHBondContact O-N 2.82Å |
| 65 | F | 85.5 | Confident | 73.8 | Confident | 12 Ų | 12 | 77 Ų | 77 | 5% | 0.053 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 82.4 | 179.2 | -167.8 | -105.6 | 0 | 0 | 0 | 107.7 | L30 F31 V34 I59 L62 L83 L154 F155 V156 | L30-F65 HydrophobicContact CB-CE1 4.39Å; L30-F65 HydrophobicContact CB-CZ 4.01Å; F31-F65 HydrophobicContact CB-CE1 4.23Å; F31-F65 HydrophobicContact CB-CZ 3.95Å; V34-F65 HydrophobicContact CG2-CE2 4.41Å; I59-F65 HydrophobicContact CD1-CD1 3.97Å; I59-F65 HydrophobicContact CD1-CE1 3.98Å; I59-F65 HydrophobicContact CG1-CD1 4.29Å; I59-F65 HydrophobicContact CG1-CE1 4.45Å; I59-F65 HydrophobicContact CG2-CB 3.86Å; I59-F65 HydrophobicContact CG2-CD1 4.04Å; I59-F65 HydrophobicContact CG2-CG 4.11Å; L62-F65 HydrophobicContact CD1-CB 3.89Å; L62-F65 HydrophobicContact CD1-CD2 3.48Å; L62-F65 VanDerWaalsContact CD1-CD2 3.48Å; L62-F65 HydrophobicContact CD1-CE2 4.23Å; L62-F65 HydrophobicContact CD1-CG 3.87Å; F65-L83 HydrophobicContact CD1-CD2 4.05Å; F65-L83 HydrophobicContact CE1-CD1 4.4Å; F65-L83 HydrophobicContact CE1-CD2 4Å; F65-L154 HydrophobicContact CD1-CD1 4.45Å; F65-L154 HydrophobicContact CD2-CD1 4.22Å; F65-L154 HydrophobicContact CE1-CD1 4.25Å; F65-L154 HydrophobicContact CE2-CD1 4.03Å; F65-L154 HydrophobicContact CE2-CD2 3.79Å; F65-L154 HydrophobicContact CE2-CG 4.22Å; F65-L154 HydrophobicContact CG-CD1 4.44Å; F65-L154 HydrophobicContact CZ-CD1 4.04Å; F65-L154 HydrophobicContact CZ-CD2 3.84Å; F65-L154 HydrophobicContact CZ-CG 4.47Å; F65-F155 VanDerWaalsContact CA-O 3.28Å; F65-F155 WeakPolarHBondContact CA-O 3.39Å; F65-V156 HydrophobicContact CD2-CG1 4.36Å; F65-V156 HydrophobicContact CD2-CG2 3.96Å; F65-V156 HydrophobicContact CE2-CG2 3.98Å |
| 66 | E | 84.5 | Confident | 73.2 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129 | -167.3 | -81.8 | 170.1 | -140.4 | 0 | 0 | 110.9 | K64 N68 F155 | K64-E66 WeakPolarHBondContact CE-OE1 3.39Å; K64-E66 WeakPolarHBondContact CE-OE2 3.41Å; K64-E66 HydrophobicContact CG-CG 4.31Å; K64-E66 WeakPolarHBondContact CG-OE1 3.29Å; K64-E66 IonicContact NZ-OE1 3.22Å; K64-E66 IonicContact NZ-OE2 2.94Å; K64-E66 PolarHBondContact NZ-OE2 3.47Å; E66-N68 PolarHBondContact O-ND2 2.77Å; E66-F155 PolarHBondContact N-O 3.01Å; E66-F155 VanDerWaalsContact N-O 3.11Å; E66-F155 PolarHBondContact O-N 2.73Å |
| 67 | L | 85.9 | Confident | 72.9 | Confident | 17 Ų | 17 | 79.5 Ų | 79.5 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137.9 | 174.2 | -166.7 | 61.3 | 0 | 0 | 0 | 109.2 | L30 M77 L83 L90 L152 L154 I169 | L30-L67 HydrophobicContact CD1-CD1 4.21Å; L30-L67 HydrophobicContact CD1-CD2 4.07Å; L67-M77 VanDerWaalsContact C-SD 3.53Å; L67-M77 HydrophobicContact CB-CE 4.12Å; L67-M77 HydrophobicContact CB-SD 3.64Å; L67-M77 HydrophobicContact CD2-CE 4.02Å; L67-M77 HydrophobicContact CD2-SD 3.8Å; L67-M77 HydrophobicContact CG-CE 4.22Å; L67-M77 HydrophobicContact CG-SD 3.46Å; L67-M77 WeakPolarHBondContact CG-SD 3.06Å; L67-M77 VanDerWaalsContact O-SD 3.4Å; L67-L83 HydrophobicContact CB-CB 4.33Å; L67-L83 HydrophobicContact CB-CD2 3.91Å; L67-L83 HydrophobicContact CD2-CB 4.43Å; L67-L90 HydrophobicContact CD2-CD1 3.42Å; L67-L90 VanDerWaalsContact CD2-CD1 3.42Å; L67-L90 HydrophobicContact CD2-CD2 4.35Å; L67-L152 HydrophobicContact CD1-CB 3.91Å; L67-L152 HydrophobicContact CD1-CD1 4.39Å; L67-L152 HydrophobicContact CD2-CD1 3.8Å; L67-L152 HydrophobicContact CG-CB 4.34Å; L67-L152 HydrophobicContact CG-CD1 4.16Å; L67-L154 HydrophobicContact CD1-CB 4.03Å; L67-I169 HydrophobicContact CD1-CD1 3.32Å |
| 68 | N | 82 | Confident | 72.7 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 28% | 0.283 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 158.2 | -177.6 | -65.1 | -91.9 | 0 | 0 | 0 | 109 | E66 L152 I153 | E66-N68 PolarHBondContact O-ND2 2.77Å; N68-L152 WeakPolarHBondContact O-CA 3.35Å; N68-I153 HydrophobicContact CB-CG2 3.92Å; N68-I153 PolarHBondContact N-O 2.88Å; N68-I153 PolarHBondContact O-N 2.76Å |
| 69 | P | 76.8 | Confident | 72.9 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 29% | 0.286 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 150.9 | 165.8 | 29 | -35.2 | 0 | 0 | 0 | 110.8 | S74 | P69-S74 WeakPolarHBondContact CB-OG 3.04Å |
| 70 | Y | 75.3 | Confident | 73.3 | Confident | 118 Ų | 118 | 77.2 Ų | 77.2 | 46% | 0.463 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -78 | -32.7 | -178.8 | -173 | -87.2 | 0 | 0 | 0 | 113 | Q151 I153 P168 | Y70-Q151 VanDerWaalsContact CB-O 3.23Å; Y70-Q151 WeakPolarHBondContact CB-O 3.49Å; Y70-Q151 HydrophobicContact CD1-CB 4.33Å; Y70-Q151 HydrophobicContact CD2-CB 4.44Å; Y70-Q151 HydrophobicContact CG-CB 3.92Å; Y70-Q151 PolarHBondContact N-O 2.89Å; Y70-I153 HydrophobicContact CD2-CB 4.2Å; Y70-I153 HydrophobicContact CD2-CD1 4.34Å; Y70-I153 HydrophobicContact CE2-CD1 4.42Å; Y70-P168 HydrophobicContact CE2-CB 4.19Å; Y70-P168 HydrophobicContact CE2-CG 4.16Å |
| 71 | D | 69.8 | Low | 74 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -114.4 | 142.5 | 170.1 | -173.7 | -10.4 | 0 | 0 | 0 | 108.8 | N73 S74 | D71-N73 PolarHBondContact O-N 3.37Å; D71-N73 PolarHBondContact OD1-N 2.83Å; D71-N73 PolarHBondContact OD1-ND2 3.23Å; D71-S74 PolarHBondContact O-N 2.91Å; D71-S74 PolarHBondContact O-OG 3.4Å |
| 72 | L | 57.8 | Low | 74.7 | Confident | 169 Ų | 169 | 72.7 Ų | 72.7 | 89% | 0.885 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.4 | 173.4 | -72 | 165.3 | 0 | 0 | 0 | 112.6 | ||
| 73 | N | 55.5 | Low | 75.3 | Confident | 144 Ų | 144 | 73.3 Ų | 73.3 | 77% | 0.77 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -8.2 | 177.8 | -61 | -48.3 | 0 | 0 | 0 | 114.2 | D71 | D71-N73 PolarHBondContact O-N 3.37Å; D71-N73 PolarHBondContact OD1-N 2.83Å; D71-N73 PolarHBondContact OD1-ND2 3.23Å |
| 74 | S | 57.4 | Low | 75.7 | Confident | 54 Ų | 54 | 69 Ų | 69 | 38% | 0.378 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -71.2 | 155.6 | 179.9 | 77.5 | 0 | 0 | 0 | 0 | 111.4 | P69 D71 | P69-S74 WeakPolarHBondContact CB-OG 3.04Å; D71-S74 PolarHBondContact O-N 2.91Å; D71-S74 PolarHBondContact O-OG 3.4Å |
| 75 | K | 57.8 | Low | 75.9 | Confident | 90 Ų | 90 | 71.8 Ų | 71.8 | 39% | 0.391 | 36% | 0.357 | S | S | . | . | trans | -45.8 | 144.7 | 164 | -79.9 | -177.1 | 175.8 | 175.9 | 0 | 110 | M77 E79 Y80 Y100 | K75-M77 PolarHBondContact O-N 3.16Å; K75-E79 WeakPolarHBondContact CB-OE2 2.99Å; K75-Y80 HydrophobicContact CB-CE2 4.12Å; K75-Y80 HydrophobicContact CD-CE2 3.77Å; K75-Y80 WeakPolarHBondContact CD-OH 3.39Å; K75-Y80 PolarHBondContact NZ-OH 3.42Å; K75-Y100 VanDerWaalsContact NZ-CZ 3.33Å; K75-Y100 PolarHBondContact NZ-OH 2.9Å | ||
| 76 | Q | 61.2 | Low | 75.8 | Confident | 135 Ų | 135 | 77.3 Ų | 77.3 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | trans | -62.4 | 132.7 | -170.6 | -64.8 | -171.9 | 11 | 0 | 0 | 109.8 | N78 E79 | Q76-N78 PolarHBondContact O-N 3.42Å; Q76-N78 VanDerWaalsContact O-N 3.07Å; Q76-E79 WeakPolarHBondContact O-CB 3.24Å; Q76-E79 PolarHBondContact O-N 3.11Å | ||
| 77 | M | 68.5 | Low | 76 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -48.2 | -41.3 | 173.9 | 177.1 | -152.6 | 118 | 0 | 0 | 111.8 | L67 K75 E79 Y80 F81 L152 | L67-M77 VanDerWaalsContact C-SD 3.53Å; L67-M77 HydrophobicContact CB-CE 4.12Å; L67-M77 HydrophobicContact CB-SD 3.64Å; L67-M77 HydrophobicContact CD2-CE 4.02Å; L67-M77 HydrophobicContact CD2-SD 3.8Å; L67-M77 HydrophobicContact CG-CE 4.22Å; L67-M77 HydrophobicContact CG-SD 3.46Å; L67-M77 WeakPolarHBondContact CG-SD 3.06Å; L67-M77 VanDerWaalsContact O-SD 3.4Å; K75-M77 PolarHBondContact O-N 3.16Å; M77-E79 PolarHBondContact O-N 3.4Å; M77-E79 VanDerWaalsContact O-N 3.09Å; M77-Y80 PolarHBondContact O-N 2.99Å; M77-Y80 VanDerWaalsContact O-N 3.07Å; M77-F81 VanDerWaalsContact CE-O 3.24Å; M77-F81 WeakPolarHBondContact CE-O 3.26Å; M77-F81 PolarHBondContact O-N 2.12Å; M77-F81 VanDerWaalsContact O-O 3.14Å; M77-L152 HydrophobicContact CB-CD2 3.96Å; M77-L152 HydrophobicContact CG-CD1 4.04Å; M77-L152 HydrophobicContact CG-CD2 3.7Å |
| 78 | N | 67.9 | Low | 76.1 | Confident | 93 Ų | 93 | 76 Ų | 76 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.5 | -10.4 | 179.1 | -57.8 | -29.8 | 0 | 0 | 0 | 114.3 | Q76 Q93 | Q76-N78 PolarHBondContact O-N 3.42Å; Q76-N78 VanDerWaalsContact O-N 3.07Å; N78-Q93 VanDerWaalsContact O-CD 3.26Å; N78-Q93 PolarHBondContact O-NE2 2.85Å |
| 79 | E | 79.5 | Confident | 76.6 | Confident | 56 Ų | 56 | 75 Ų | 75 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.4 | -43.8 | 171.8 | -167.5 | 174.9 | 163.2 | 0 | 0 | 110.1 | K75 Q76 M77 N94 | K75-E79 WeakPolarHBondContact CB-OE2 2.99Å; Q76-E79 WeakPolarHBondContact O-CB 3.24Å; Q76-E79 PolarHBondContact O-N 3.11Å; M77-E79 PolarHBondContact O-N 3.4Å; M77-E79 VanDerWaalsContact O-N 3.09Å; E79-N94 WeakPolarHBondContact O-CB 3.32Å; E79-N94 PolarHBondContact O-N 3.03Å; E79-N94 PolarHBondContact O-ND2 2.84Å |
| 80 | Y | 86.3 | Confident | 77.4 | Confident | 15 Ų | 15 | 73 Ų | 73 | 6% | 0.059 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -109.4 | -31.3 | -170.2 | -60.7 | -70.3 | 0 | 0 | 0 | 114.4 | K75 M77 T92 Q93 I96 I101 I150 | K75-Y80 HydrophobicContact CB-CE2 4.12Å; K75-Y80 HydrophobicContact CD-CE2 3.77Å; K75-Y80 WeakPolarHBondContact CD-OH 3.39Å; K75-Y80 PolarHBondContact NZ-OH 3.42Å; M77-Y80 PolarHBondContact O-N 2.99Å; M77-Y80 VanDerWaalsContact O-N 3.07Å; Y80-T92 CarbonylContact O-C 3.55Å; Y80-T92 WeakPolarHBondContact O-CA 3Å; Y80-Q93 PolarHBondContact O-N 3.4Å; Y80-I96 HydrophobicContact CD1-CD1 3.91Å; Y80-I96 HydrophobicContact CG-CD1 4.36Å; Y80-I101 HydrophobicContact CD1-CD1 3.97Å; Y80-I101 HydrophobicContact CE1-CD1 3.67Å; Y80-I101 HydrophobicContact CE1-CG1 3.83Å; Y80-I150 HydrophobicContact CD2-CD1 4.35Å; Y80-I150 HydrophobicContact CG-CD1 4.32Å |
| 81 | F | 89.7 | Confident | 78.2 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 0% | 0.004 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 150.8 | -173.5 | -58.6 | -72.6 | 0 | 0 | 0 | 114.4 | I17 V27 M77 L90 F91 T92 I96 I150 L152 I171 | I17-F81 HydrophobicContact CD1-CE1 3.93Å; I17-F81 HydrophobicContact CD1-CZ 3.88Å; V27-F81 HydrophobicContact CG2-CD1 4.03Å; V27-F81 HydrophobicContact CG2-CE1 3.91Å; M77-F81 VanDerWaalsContact CE-O 3.24Å; M77-F81 WeakPolarHBondContact CE-O 3.26Å; M77-F81 PolarHBondContact O-N 2.12Å; M77-F81 VanDerWaalsContact O-O 3.14Å; F81-L90 HydrophobicContact CB-CD1 3.95Å; F81-F91 CarbonylContact C-O 3.58Å; F81-F91 WeakPolarHBondContact CA-O 3.27Å; F81-T92 HydrophobicContact CE1-CG2 4.2Å; F81-I96 HydrophobicContact CE1-CD1 4.23Å; F81-I96 HydrophobicContact CZ-CD1 4.05Å; F81-I150 HydrophobicContact CD2-CG2 4.46Å; F81-I150 HydrophobicContact CE2-CB 4.25Å; F81-I150 HydrophobicContact CE2-CD1 3.71Å; F81-I150 HydrophobicContact CE2-CG2 4Å; F81-I150 HydrophobicContact CZ-CD1 4.34Å; F81-L152 HydrophobicContact CB-CD1 4.46Å; F81-L152 HydrophobicContact CD2-CD1 4.03Å; F81-L152 HydrophobicContact CG-CD1 4.49Å; F81-I171 HydrophobicContact CD1-CD1 4.16Å; F81-I171 HydrophobicContact CD2-CD1 3.86Å; F81-I171 HydrophobicContact CE1-CD1 3.97Å; F81-I171 HydrophobicContact CE1-CG2 4.34Å; F81-I171 HydrophobicContact CE2-CD1 3.64Å; F81-I171 HydrophobicContact CE2-CG2 4.44Å; F81-I171 HydrophobicContact CG-CD1 4.12Å; F81-I171 HydrophobicContact CZ-CB 4.36Å; F81-I171 HydrophobicContact CZ-CD1 3.71Å; F81-I171 HydrophobicContact CZ-CG2 3.79Å |
| 82 | K | 88.9 | Confident | 79.2 | Confident | 121 Ų | 121 | 66.1 Ų | 66.1 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 123.7 | -177.1 | -174.3 | -176.6 | -177.1 | 177.8 | 0 | 111.2 | F91 Q93 | K82-F91 PolarHBondContact N-O 3.47Å; K82-F91 PolarHBondContact O-N 2.67Å; K82-Q93 HydrophobicContact CB-CB 4.33Å |
| 83 | L | 90.2 | Very high | 80.6 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.2 | 175.7 | 177.9 | 56.5 | 0 | 0 | 0 | 111.1 | L30 F65 L67 Q85 G88 D89 L90 L154 | L30-L83 HydrophobicContact CD1-CD1 4.12Å; L30-L83 HydrophobicContact CD1-CD2 4.35Å; F65-L83 HydrophobicContact CD1-CD2 4.05Å; F65-L83 HydrophobicContact CE1-CD1 4.4Å; F65-L83 HydrophobicContact CE1-CD2 4Å; L67-L83 HydrophobicContact CB-CB 4.33Å; L67-L83 HydrophobicContact CB-CD2 3.91Å; L67-L83 HydrophobicContact CD2-CB 4.43Å; L83-Q85 PolarHBondContact O-N 3.02Å; L83-G88 WeakPolarHBondContact CD1-O 3.47Å; L83-D89 WeakPolarHBondContact CD1-O 3.5Å; L83-L90 HydrophobicContact CB-CD1 4.36Å; L83-L154 HydrophobicContact CD2-CD1 4.15Å |
| 84 | D | 89.4 | Confident | 82 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 31% | 0.305 | 29% | 0.287 | S | S | . | . | trans | -73.4 | 114.5 | 166.7 | -171.8 | -56.7 | 0 | 0 | 0 | 110.1 | Q86 T87 G88 D89 F91 | D84-Q86 PolarHBondContact O-N 2.71Å; D84-Q86 VanDerWaalsContact OD1-CA 3.3Å; D84-Q86 WeakPolarHBondContact OD1-CA 2.79Å; D84-Q86 VanDerWaalsContact OD1-CB 3.27Å; D84-Q86 WeakPolarHBondContact OD1-CB 3.4Å; D84-Q86 PolarHBondContact OD1-N 2.74Å; D84-T87 WeakPolarHBondContact CB-OG1 3.34Å; D84-T87 PolarHBondContact OD1-N 3.19Å; D84-G88 VanDerWaalsContact O-CA 3.3Å; D84-G88 WeakPolarHBondContact O-CA 3.39Å; D84-G88 PolarHBondContact O-N 3.37Å; D84-D89 PolarHBondContact N-O 3.34Å; D84-F91 HydrophobicContact CB-CE2 4.09Å | ||
| 85 | Q | 83.9 | Confident | 83.3 | Confident | 133 Ų | 133 | 61.6 Ų | 61.6 | 62% | 0.621 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -7.2 | -177.6 | -64 | -177.9 | -11.6 | 0 | 0 | 114.2 | I59 L83 | I59-Q85 WeakPolarHBondContact CG2-O 2.43Å; L83-Q85 PolarHBondContact O-N 3.02Å |
| 86 | Q | 84.1 | Confident | 84.6 | Confident | 128 Ų | 128 | 57.3 Ų | 57.3 | 60% | 0.598 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -41.1 | 176.9 | -52.5 | -161.3 | 58.7 | 0 | 0 | 112.3 | D84 | D84-Q86 PolarHBondContact O-N 2.71Å; D84-Q86 VanDerWaalsContact OD1-CA 3.3Å; D84-Q86 WeakPolarHBondContact OD1-CA 2.79Å; D84-Q86 VanDerWaalsContact OD1-CB 3.27Å; D84-Q86 WeakPolarHBondContact OD1-CB 3.4Å; D84-Q86 PolarHBondContact OD1-N 2.74Å |
| 87 | T | 88.6 | Confident | 85.8 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -29.7 | -176.2 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | N29 I59 D84 D89 | N29-T87 PolarHBondContact ND2-O 3.27Å; I59-T87 VanDerWaalsContact CD1-C 3.46Å; D84-T87 WeakPolarHBondContact CB-OG1 3.34Å; D84-T87 PolarHBondContact OD1-N 3.19Å; T87-D89 WeakPolarHBondContact CB-OD2 3.47Å; T87-D89 WeakPolarHBondContact OG1-CB 3.26Å; T87-D89 VanDerWaalsContact OG1-CG 3.22Å; T87-D89 PolarHBondContact OG1-N 2.87Å; T87-D89 PolarHBondContact OG1-OD2 2.78Å |
| 88 | G | 87.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 88 | 8.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N29 L30 L83 D84 | N29-G88 CarbonylContact C-O 3.58Å; N29-G88 WeakPolarHBondContact CA-O 3.02Å; L30-G88 PolarHBondContact N-O 3.02Å; L83-G88 WeakPolarHBondContact CD1-O 3.47Å; D84-G88 VanDerWaalsContact O-CA 3.3Å; D84-G88 WeakPolarHBondContact O-CA 3.39Å; D84-G88 PolarHBondContact O-N 3.37Å | ||
| 89 | D | 93.3 | Very high | 87.3 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 130.3 | 176.7 | -65.3 | -45.5 | 0 | 0 | 0 | 110.8 | L26 N29 L83 D84 T87 F91 | L26-D89 HydrophobicContact CD1-CB 3.62Å; N29-D89 WeakPolarHBondContact CB-OD1 3.35Å; N29-D89 PolarHBondContact ND2-OD1 2.88Å; L83-D89 WeakPolarHBondContact CD1-O 3.5Å; D84-D89 PolarHBondContact N-O 3.34Å; T87-D89 WeakPolarHBondContact CB-OD2 3.47Å; T87-D89 WeakPolarHBondContact OG1-CB 3.26Å; T87-D89 VanDerWaalsContact OG1-CG 3.22Å; T87-D89 PolarHBondContact OG1-N 2.87Å; T87-D89 PolarHBondContact OG1-OD2 2.78Å; D89-F91 HydrophobicContact CB-CD2 4.21Å; D89-F91 HydrophobicContact CB-CE2 3.42Å; D89-F91 VanDerWaalsContact CB-CE2 3.42Å; D89-F91 HydrophobicContact CB-CZ 3.64Å |
| 90 | L | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.8 | 172.6 | -175 | 63.5 | 0 | 0 | 0 | 108.7 | Y15 V27 G28 L30 L67 F81 L83 I171 | Y15-L90 HydrophobicContact CD2-CD2 4.25Å; Y15-L90 HydrophobicContact CE2-CD2 4.18Å; V27-L90 HydrophobicContact CB-CB 4.33Å; V27-L90 HydrophobicContact CB-CD2 4.3Å; V27-L90 HydrophobicContact CB-CG 4.23Å; V27-L90 WeakPolarHBondContact CB-O 3.43Å; V27-L90 HydrophobicContact CG1-CD2 4.18Å; V27-L90 PolarHBondContact N-O 2.71Å; G28-L90 PolarHBondContact O-N 3.11Å; L30-L90 HydrophobicContact CD1-CB 4.39Å; L30-L90 HydrophobicContact CD1-CD2 4.36Å; L30-L90 HydrophobicContact CG-CB 4.46Å; L67-L90 HydrophobicContact CD2-CD1 3.42Å; L67-L90 VanDerWaalsContact CD2-CD1 3.42Å; L67-L90 HydrophobicContact CD2-CD2 4.35Å; F81-L90 HydrophobicContact CB-CD1 3.95Å; L83-L90 HydrophobicContact CB-CD1 4.36Å; L90-I171 HydrophobicContact CD2-CD1 3.85Å |
| 91 | F | 92.9 | Very high | 87.2 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 25% | 0.254 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 153.7 | 178.2 | -61.4 | -84.2 | 0 | 0 | 0 | 111.3 | G24 T25 L26 F81 K82 D84 D89 | G24-F91 WeakPolarHBondContact O-CD1 3.19Å; T25-F91 CarbonylContact O-C 3.57Å; T25-F91 WeakPolarHBondContact O-CA 3.09Å; L26-F91 HydrophobicContact CB-CD1 4.14Å; L26-F91 HydrophobicContact CB-CE1 3.97Å; L26-F91 HydrophobicContact CD1-CD1 4.26Å; L26-F91 HydrophobicContact CD1-CE1 3.89Å; L26-F91 HydrophobicContact CD1-CZ 4.15Å; F81-F91 CarbonylContact C-O 3.58Å; F81-F91 WeakPolarHBondContact CA-O 3.27Å; K82-F91 PolarHBondContact N-O 3.47Å; K82-F91 PolarHBondContact O-N 2.67Å; D84-F91 HydrophobicContact CB-CE2 4.09Å; D89-F91 HydrophobicContact CB-CD2 4.21Å; D89-F91 HydrophobicContact CB-CE2 3.42Å; D89-F91 VanDerWaalsContact CB-CE2 3.42Å; D89-F91 HydrophobicContact CB-CZ 3.64Å |
| 92 | T | 90.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.9 | 162.6 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | L21 P22 G24 T25 V27 Y80 F81 I96 | L21-T92 HydrophobicContact CB-CG2 4.18Å; L21-T92 HydrophobicContact CD1-CG2 4.47Å; P22-T92 PolarHBondContact O-OG1 2.85Å; G24-T92 PolarHBondContact N-O 2.84Å; G24-T92 PolarHBondContact N-OG1 2.91Å; T25-T92 PolarHBondContact N-OG1 2.71Å; T25-T92 PolarHBondContact O-N 3.27Å; V27-T92 HydrophobicContact CG2-CG2 4.1Å; Y80-T92 CarbonylContact O-C 3.55Å; Y80-T92 WeakPolarHBondContact O-CA 3Å; F81-T92 HydrophobicContact CE1-CG2 4.2Å; T92-I96 HydrophobicContact CG2-CD1 4.4Å; T92-I96 HydrophobicContact CG2-CG1 4Å |
| 93 | Q | 86.6 | Confident | 85.7 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | trans | -108.1 | -44.6 | 176.7 | -175.5 | 154.2 | -55.2 | 0 | 0 | 112.7 | S23 N78 Y80 K82 | S23-Q93 VanDerWaalsContact CB-O 3.31Å; S23-Q93 WeakPolarHBondContact CB-O 3.27Å; S23-Q93 PolarHBondContact OG-O 3.06Å; N78-Q93 VanDerWaalsContact O-CD 3.26Å; N78-Q93 PolarHBondContact O-NE2 2.85Å; Y80-Q93 PolarHBondContact O-N 3.4Å; K82-Q93 HydrophobicContact CB-CB 4.33Å | ||
| 94 | N | 84.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 43% | 0.428 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -113.8 | 176.3 | 169.2 | -68.9 | -18.2 | 0 | 0 | 0 | 110.4 | E79 I96 | E79-N94 WeakPolarHBondContact O-CB 3.32Å; E79-N94 PolarHBondContact O-N 3.03Å; E79-N94 PolarHBondContact O-ND2 2.84Å; N94-I96 PolarHBondContact O-N 3.08Å |
| 95 | R | 85 | Confident | 82.8 | Confident | 126 Ų | 126 | 59 Ų | 59 | 48% | 0.475 | 29% | 0.294 | S | S | . | . | trans | -52.5 | 132.2 | 164.5 | -174 | -172 | -167.8 | -141.2 | 2.8 | 108.7 | E20 D97 | E20-R95 VanDerWaalsContact CD-CZ 3.46Å; E20-R95 IonicContact OE1-CZ 2.7Å; E20-R95 IonicContact OE1-NE 2.67Å; E20-R95 PolarHBondContact OE1-NE 2.8Å; E20-R95 IonicContact OE1-NH1 3.69Å; E20-R95 IonicContact OE1-NH2 2.79Å; E20-R95 PolarHBondContact OE1-NH2 2.88Å; E20-R95 IonicContact OE2-CZ 3.52Å; E20-R95 VanDerWaalsContact OE2-CZ 3.23Å; E20-R95 IonicContact OE2-NE 3.63Å; E20-R95 PolarHBondContact OE2-NE 3.02Å; E20-R95 IonicContact OE2-NH2 3.64Å; E20-R95 PolarHBondContact OE2-NH2 3.35Å; R95-D97 IonicContact CZ-OD2 2.79Å; R95-D97 IonicContact NH1-OD2 3.7Å; R95-D97 PolarHBondContact NH1-OD2 3.29Å | ||
| 96 | I | 85.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -90.9 | 128.3 | 165.9 | -52.4 | -53.5 | 0 | 0 | 0 | 105.7 | I17 E19 E20 Y80 F81 T92 N94 I101 I173 | I17-I96 HydrophobicContact CD1-CG1 4.28Å; I17-I96 HydrophobicContact CD1-CG2 4.48Å; E19-I96 HydrophobicContact CB-CG2 4.37Å; E20-I96 PolarHBondContact N-O 3.47Å; Y80-I96 HydrophobicContact CD1-CD1 3.91Å; Y80-I96 HydrophobicContact CG-CD1 4.36Å; F81-I96 HydrophobicContact CE1-CD1 4.23Å; F81-I96 HydrophobicContact CZ-CD1 4.05Å; T92-I96 HydrophobicContact CG2-CD1 4.4Å; T92-I96 HydrophobicContact CG2-CG1 4Å; N94-I96 PolarHBondContact O-N 3.08Å; I96-I101 HydrophobicContact CG2-CD1 3.78Å; I96-I173 HydrophobicContact CG2-CD1 3.61Å; I96-I173 HydrophobicContact CG2-CG1 3.95Å; I96-I173 HydrophobicContact CG2-CG2 3.89Å | ||
| 97 | D | 85.8 | Confident | 79.1 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | trans | -141.1 | 109.1 | -167.4 | 176.7 | -50.4 | 0 | 0 | 0 | 105.4 | R95 Y100 I101 | R95-D97 IonicContact CZ-OD2 2.79Å; R95-D97 IonicContact NH1-OD2 3.7Å; R95-D97 PolarHBondContact NH1-OD2 3.29Å; D97-Y100 PolarHBondContact O-N 3.08Å; D97-Y100 WeakPolarHBondContact OD1-CB 3.36Å; D97-Y100 PolarHBondContact OD1-N 3.42Å; D97-I101 WeakPolarHBondContact O-CB 3.27Å; D97-I101 WeakPolarHBondContact O-CD1 3.41Å; D97-I101 WeakPolarHBondContact O-CG1 3.49Å; D97-I101 PolarHBondContact O-N 2.84Å | ||
| 98 | Y | 86.1 | Confident | 76.5 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -47.9 | -168.5 | -174.9 | -66.3 | 0 | 0 | 0 | 109.7 | E19 Y100 I101 C102 K104 C148 I173 D175 | E19-Y98 WeakPolarHBondContact OE1-CB 3.25Å; E19-Y98 VanDerWaalsContact OE2-CB 3.24Å; E19-Y98 WeakPolarHBondContact OE2-CB 3.41Å; E19-Y98 PolarHBondContact OE2-N 2.8Å; Y98-Y100 VanDerWaalsContact C-N 3.26Å; Y98-Y100 PolarHBondContact O-N 2.8Å; Y98-I101 PolarHBondContact O-N 3.37Å; Y98-I101 VanDerWaalsContact O-N 3.14Å; Y98-C102 HydrophobicContact CD1-CB 4.14Å; Y98-C102 HydrophobicContact CE1-CB 3.93Å; Y98-C102 WeakPolarHBondContact O-CA 3.11Å; Y98-C102 PolarHBondContact O-N 2.82Å; Y98-K104 VanDerWaalsContact CE1-NZ 3.28Å; Y98-C148 HydrophobicContact CD2-CB 3.79Å; Y98-C148 HydrophobicContact CE1-CB 4.28Å; Y98-C148 HydrophobicContact CE2-CB 3.27Å; Y98-I173 HydrophobicContact CD2-CG2 4.06Å; Y98-D175 HydrophobicContact CD2-CB 3.75Å; Y98-D175 HydrophobicContact CE2-CB 3.64Å; Y98-D175 HydrophobicContact CG-CB 4.37Å |
| 99 | E | 82 | Confident | 73.5 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -35.4 | -179 | -81.1 | 47.8 | -105.8 | 0 | 0 | 112.1 | P103 K104 L217 | E99-P103 WeakPolarHBondContact O-CA 3.37Å; E99-P103 WeakPolarHBondContact O-CB 3.43Å; E99-K104 IonicContact OE1-NZ 2.8Å; E99-K104 PolarHBondContact OE1-NZ 3.24Å; E99-L217 HydrophobicContact CG-CB 3.57Å |
| 100 | Y | 83.5 | Confident | 70.5 | Confident | 138 Ų | 138 | 69.4 Ų | 69.4 | 54% | 0.541 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -82.7 | -23.8 | 177.9 | -175.1 | -113.9 | 0 | 0 | 0 | 114.4 | K75 D97 Y98 | K75-Y100 VanDerWaalsContact NZ-CZ 3.33Å; K75-Y100 PolarHBondContact NZ-OH 2.9Å; D97-Y100 PolarHBondContact O-N 3.08Å; D97-Y100 WeakPolarHBondContact OD1-CB 3.36Å; D97-Y100 PolarHBondContact OD1-N 3.42Å; Y98-Y100 VanDerWaalsContact C-N 3.26Å; Y98-Y100 PolarHBondContact O-N 2.8Å |
| 101 | I | 80 | Confident | 67.4 | Low | 34 Ų | 34 | 75.5 Ų | 75.5 | 17% | 0.174 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -91.5 | -38 | 179.5 | -66.7 | 166.5 | 0 | 0 | 0 | 111.4 | Y80 I96 D97 Y98 I150 I173 | Y80-I101 HydrophobicContact CD1-CD1 3.97Å; Y80-I101 HydrophobicContact CE1-CD1 3.67Å; Y80-I101 HydrophobicContact CE1-CG1 3.83Å; I96-I101 HydrophobicContact CG2-CD1 3.78Å; D97-I101 WeakPolarHBondContact O-CB 3.27Å; D97-I101 WeakPolarHBondContact O-CD1 3.41Å; D97-I101 WeakPolarHBondContact O-CG1 3.49Å; D97-I101 PolarHBondContact O-N 2.84Å; Y98-I101 PolarHBondContact O-N 3.37Å; Y98-I101 VanDerWaalsContact O-N 3.14Å; I101-I150 HydrophobicContact CD1-CD1 4.33Å; I101-I150 HydrophobicContact CG2-CD1 4.08Å; I101-I150 HydrophobicContact CG2-CG1 4.15Å; I101-I173 HydrophobicContact CB-CD1 4.47Å; I101-I173 HydrophobicContact CD1-CD1 3.87Å; I101-I173 HydrophobicContact CG2-CD1 3.94Å |
| 102 | C | 77.8 | Confident | 64.1 | Low | 35 Ų | 35 | 78.7 Ų | 78.7 | 24% | 0.236 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -127.7 | 56.8 | -176.2 | -68 | 0 | 0 | 0 | 0 | 111.7 | Y98 K104 C148 | Y98-C102 HydrophobicContact CD1-CB 4.14Å; Y98-C102 HydrophobicContact CE1-CB 3.93Å; Y98-C102 WeakPolarHBondContact O-CA 3.11Å; Y98-C102 PolarHBondContact O-N 2.82Å; C102-K104 PolarHBondContact O-N 3.34Å; C102-K104 VanDerWaalsContact O-N 3.16Å; C102-C148 HydrophobicContact CB-CB 3.78Å; C102-C148 WeakPolarHBondContact CB-SG 3.49Å; C102-C148 WeakPolarHBondContact SG-CA 3.2Å; C102-C148 WeakPolarHBondContact SG-CB 3.41Å; C102-C148 CovalentContact SG-SG 2.04Å; C102-C148 PolarHBondContact SG-SG 3.41Å |
| 103 | P | 70.2 | Confident | 61 | Low | 94 Ų | 94 | 83.2 Ų | 83.2 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | trans | -60.4 | 118.3 | -174.6 | 23.9 | -34.5 | 0 | 0 | 0 | 112.4 | E99 | E99-P103 WeakPolarHBondContact O-CA 3.37Å; E99-P103 WeakPolarHBondContact O-CB 3.43Å | ||
| 104 | K | 62.6 | Low | 58.1 | Low | 59 Ų | 59 | 89 Ų | 89 | 26% | 0.257 | 49% | 0.491 | S | S | . | . | trans | -72.6 | 132.8 | 177.4 | -51.3 | 179 | -177.3 | 95 | 0 | 108.9 | Y98 E99 C102 L106 D175 L217 D218 | Y98-K104 VanDerWaalsContact CE1-NZ 3.28Å; E99-K104 IonicContact OE1-NZ 2.8Å; E99-K104 PolarHBondContact OE1-NZ 3.24Å; C102-K104 PolarHBondContact O-N 3.34Å; C102-K104 VanDerWaalsContact O-N 3.16Å; K104-L106 PolarHBondContact O-N 2.86Å; K104-L106 VanDerWaalsContact O-N 3.13Å; K104-D175 IonicContact NZ-OD1 3.76Å; K104-D175 PolarHBondContact NZ-OD1 2.66Å; K104-L217 WeakPolarHBondContact CD-O 3.12Å; K104-L217 PolarHBondContact NZ-O 3.16Å; K104-D218 WeakPolarHBondContact CD-O 3.33Å; K104-D218 WeakPolarHBondContact CE-O 3.43Å; K104-D218 PolarHBondContact NZ-O 2.78Å | ||
| 105 | P | 55.2 | Low | 55.3 | Low | 106 Ų | 106 | 92.7 Ų | 92.7 | 69% | 0.688 | 51% | 0.508 | S | S | * | . | trans | -69.7 | 111.5 | -177.8 | 27.1 | -33.5 | 0 | 0 | 0 | 111 | V107 | P105-V107 PolarHBondContact O-N 2.96Š| ||
| 106 | L | 51.4 | Low | 52.5 | Low | 96 Ų | 96 | 93.4 Ų | 93.4 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -63.8 | -1 | -176.5 | -70.8 | 167.7 | 0 | 0 | 0 | 115.5 | K104 I184 L217 | K104-L106 PolarHBondContact O-N 2.86Å; K104-L106 VanDerWaalsContact O-N 3.13Å; L106-I184 HydrophobicContact CD2-CD1 4.1Å; L106-L217 HydrophobicContact CD2-CD2 3.91Å |
| 107 | V | 38.6 | Very low | 49.6 | Very low | 107 Ų | 107 | 98.4 Ų | 98.4 | 65% | 0.648 | 56% | 0.562 | S | S | * | * | trans | -137.7 | 107.6 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | P105 T109 | P105-V107 PolarHBondContact O-N 2.96Å; V107-T109 HydrophobicContact CG1-CG2 4.11Å; V107-T109 PolarHBondContact O-N 2.68Å | ||
| 108 | H | 34.7 | Very low | 46.8 | Very low | 125 Ų | 125 | 107.6 Ų | 107.6 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | trans | -71.2 | 113.4 | 156.8 | -95.6 | -93.8 | 0 | 0 | 0 | 108.3 | T110 | H108-T110 PolarHBondContact O-N 3.36Š| ||
| 109 | T | 24.4 | Very low | 44.1 | Very low | 131 Ų | 131 | 112.3 Ų | 112.3 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | trans | -79.1 | 65.3 | 177.5 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | V107 T111 | V107-T109 HydrophobicContact CG1-CG2 4.11Å; V107-T109 PolarHBondContact O-N 2.68Å; T109-T111 PolarHBondContact O-N 3.25Å; T109-T111 VanDerWaalsContact O-N 3.16Å | ||
| 110 | T | 29.2 | Very low | 41.6 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -75.5 | 97.5 | 170.1 | 35.7 | 0 | 0 | 0 | 0 | 110.3 | H108 | H108-T110 PolarHBondContact O-N 3.36Š| ||
| 111 | T | 27.6 | Very low | 38.9 | Very low | 127 Ų | 127 | 112.9 Ų | 112.9 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | trans | 36 | 99.9 | 147.8 | 52.1 | 0 | 0 | 0 | 0 | 117.4 | T109 S113 | T109-T111 PolarHBondContact O-N 3.25Å; T109-T111 VanDerWaalsContact O-N 3.16Å; T111-S113 PolarHBondContact O-N 3.05Å | ||
| 112 | S | 25 | Very low | 36.5 | Very low | 126 Ų | 126 | 115.2 Ų | 115.2 | 88% | 0.881 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -45.7 | 103.3 | 164.8 | 162.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 113 | S | 24.6 | Very low | 34.1 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 178.9 | 101.6 | 136.1 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | T111 | T111-S113 PolarHBondContact O-N 3.05Š| ||
| 114 | M | 25.4 | Very low | 32 | Very low | 186 Ų | 186 | 122.4 Ų | 122.4 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 175.6 | 155.1 | 146.8 | -98 | 165.5 | -155.3 | 0 | 0 | 109.7 | ||
| 115 | M | 26.4 | Very low | 30.4 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 68.5 | 47.7 | 176 | -56.9 | -165.5 | 172.7 | 0 | 0 | 119.1 | P210 | M115-P210 HydrophobicContact CE-CG 3.99Š|
| 116 | T | 25.5 | Very low | 29 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 87% | 0.871 | 75% | 0.751 | S | S | * | * | trans | -147.6 | 90 | 148.6 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 117 | S | 24.8 | Very low | 27.9 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -163.4 | 70 | 167.6 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 118 | Y | 28.4 | Very low | 27.3 | Very low | 228 Ų | 228 | 129.1 Ų | 129.1 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -168 | 135 | 147.7 | -94.3 | -61.1 | 0 | 0 | 0 | 108.7 | ||
| 119 | S | 28.3 | Very low | 26.8 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 49.4 | 116.5 | 178.8 | 56.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 120 | S | 30.2 | Very low | 26.9 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | cis | -167.3 | 164.8 | 41.1 | 40.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 121 | S | 26.7 | Very low | 26.8 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 48% | 0.476 | 78% | 0.784 | S | S | . | * | trans | -92.5 | 158 | 175.6 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | Y1269 | S121-Y1269 VanDerWaalsContact CB-CE2 3.47Å; S121-Y1269 VanDerWaalsContact CB-CZ 3.4Å | ||
| 122 | A | 28.4 | Very low | 26.6 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 65.3 | 137.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 123 | L | 29.3 | Very low | 26.7 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | cis | -135.5 | 166.4 | 28.3 | -91.5 | 110.3 | 0 | 0 | 0 | 113.5 | ||||
| 124 | S | 25.7 | Very low | 26.6 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -104.7 | 158.7 | 173.6 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 125 | S | 27.6 | Very low | 26.8 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 113.9 | 122.6 | 147.4 | 80 | 0 | 0 | 0 | 0 | 119 | ||||
| 126 | S | 26.4 | Very low | 26.7 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | 67.9 | 148.3 | 165.3 | 84.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 127 | S | 28.3 | Very low | 26.9 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | cis | -148.5 | 153.6 | 1.4 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 128 | K | 26.5 | Very low | 26.9 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 17.3 | 135.9 | 127.8 | -55.6 | 173.2 | -175.8 | 174.3 | 0 | 117.2 | |||||
| 129 | T | 24.7 | Very low | 26.7 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | cis | -173 | 137.1 | 4.9 | 16.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 130 | L | 25.8 | Very low | 26.6 | Very low | 180 Ų | 180 | 130 Ų | 130 | 94% | 0.942 | 78% | 0.775 | S | S | * | * | trans | -152.5 | 156.3 | 140.2 | -144.1 | 66.8 | 0 | 0 | 0 | 110.6 | ||||
| 131 | S | 26.5 | Very low | 26.5 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -96.7 | 141.9 | -160.2 | 52.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 132 | T | 23.2 | Very low | 26.5 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -30.8 | 131.5 | 158.3 | 48.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 133 | I | 27.5 | Very low | 26.5 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -121.5 | 118.4 | 148.8 | -66.1 | -179.3 | 0 | 0 | 0 | 107 | ||||
| 134 | H | 23.2 | Very low | 26.8 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -80.9 | 133.3 | 168.2 | -97.7 | -74.4 | 0 | 0 | 0 | 109.6 | ||||
| 135 | S | 28.9 | Very low | 27.8 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -150.7 | 117.5 | 153.7 | 57.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 136 | N | 25.6 | Very low | 29.2 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -76.7 | 137.1 | 177 | -54.5 | -29.6 | 0 | 0 | 0 | 110.2 | ||||
| 137 | N | 28.1 | Very low | 31 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -165.2 | 109.6 | 143.8 | -89.3 | -32.5 | 0 | 0 | 0 | 105.8 | ||||
| 138 | H | 26.6 | Very low | 33.5 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | 51.2 | 116.7 | 86.2 | -79.6 | -76.8 | 0 | 0 | 0 | 113.1 | |||||
| 139 | G | 23.9 | Very low | 36.2 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 87% | 0.866 | 71% | 0.712 | S | S | * | * | trans | -65.3 | 140.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 140 | L | 26.5 | Very low | 39 | Very low | 163 Ų | 163 | 125.4 Ų | 125.4 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | trans | -114.9 | 124.8 | 168.1 | -72 | 169.6 | 0 | 0 | 0 | 108.5 | ||||
| 141 | V | 27.1 | Very low | 41.8 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 84% | 0.842 | 65% | 0.65 | S | S | * | * | trans | -64.9 | 136.9 | 169.2 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | L143 | V141-L143 PolarHBondContact O-N 2.89Š| ||
| 142 | H | 27 | Very low | 44.6 | Very low | 157 Ų | 157 | 115.2 Ų | 115.2 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | -57.8 | 111.5 | 178.7 | -83.8 | -99.8 | 0 | 0 | 0 | 111.5 | ||||
| 143 | L | 28.2 | Very low | 47.6 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 79% | 0.785 | 59% | 0.588 | S | S | * | * | trans | -92.7 | 128.7 | 159.6 | -78.9 | 163.8 | 0 | 0 | 0 | 108.1 | V141 | V141-L143 PolarHBondContact O-N 2.89Š| ||
| 144 | P | 34.5 | Very low | 50.5 | Low | 111 Ų | 111 | 103 Ų | 103 | 72% | 0.721 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -73.1 | 158.9 | 177.5 | 30.8 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 145 | H | 48.1 | Very low | 53.6 | Low | 158 Ų | 158 | 95.3 Ų | 95.3 | 73% | 0.731 | 51% | 0.513 | S | S | * | . | trans | 66.1 | 87 | -172.6 | -60.6 | -15.7 | 0 | 0 | 0 | 115 | D147 | H145-D147 PolarHBondContact O-N 2.81Å; H145-D147 VanDerWaalsContact O-N 3.09Å | ||
| 146 | Y | 55.7 | Low | 56.2 | Low | 206 Ų | 206 | 90.2 Ų | 90.2 | 81% | 0.808 | 48% | 0.478 | S | S | * | . | trans | -71.8 | 84 | 148.8 | -83.9 | -87.6 | 0 | 0 | 0 | 108.9 | C148 | Y146-C148 PolarHBondContact O-N 2.79Š| ||
| 147 | D | 65.1 | Low | 58.9 | Low | 81 Ų | 81 | 83.9 Ų | 83.9 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | trans | -61.9 | 114.6 | 164.6 | -88.6 | -11.8 | 0 | 0 | 0 | 108.6 | H145 L149 Y172 | H145-D147 PolarHBondContact O-N 2.81Å; H145-D147 VanDerWaalsContact O-N 3.09Å; D147-L149 WeakPolarHBondContact O-CB 3.44Å; D147-L149 PolarHBondContact O-N 2.9Å; D147-L149 VanDerWaalsContact O-N 3.14Å; D147-Y172 HydrophobicContact CB-CD1 3.91Å; D147-Y172 HydrophobicContact CB-CE1 3.93Å; D147-Y172 VanDerWaalsContact OD2-CE1 3.23Å; D147-Y172 WeakPolarHBondContact OD2-CE1 3.47Å | ||
| 148 | C | 80.6 | Confident | 61 | Low | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.034 | 41% | 0.407 | C | S | . | . | trans | -66.7 | 115.5 | 175.1 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | Y98 C102 Y146 Y172 I173 | Y98-C148 HydrophobicContact CD2-CB 3.79Å; Y98-C148 HydrophobicContact CE1-CB 4.28Å; Y98-C148 HydrophobicContact CE2-CB 3.27Å; C102-C148 HydrophobicContact CB-CB 3.78Å; C102-C148 WeakPolarHBondContact CB-SG 3.49Å; C102-C148 WeakPolarHBondContact SG-CA 3.2Å; C102-C148 WeakPolarHBondContact SG-CB 3.41Å; C102-C148 CovalentContact SG-SG 2.04Å; C102-C148 PolarHBondContact SG-SG 3.41Å; Y146-C148 PolarHBondContact O-N 2.79Å; C148-Y172 WeakPolarHBondContact O-CA 3.34Å; C148-I173 HydrophobicContact CB-CB 4.25Å; C148-I173 PolarHBondContact O-N 3.43Å | ||
| 149 | L | 83.1 | Confident | 62.9 | Low | 53 Ų | 53 | 74 Ų | 74 | 28% | 0.277 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 114.5 | -161.6 | 172.7 | 59.1 | 0 | 0 | 0 | 112.2 | D147 Q151 R170 Y172 | D147-L149 WeakPolarHBondContact O-CB 3.44Å; D147-L149 PolarHBondContact O-N 2.9Å; D147-L149 VanDerWaalsContact O-N 3.14Å; L149-Q151 HydrophobicContact CD1-CG 4.43Å; L149-Q151 HydrophobicContact CD2-CG 4.06Å; L149-Q151 HydrophobicContact CG-CG 3.96Å; L149-R170 HydrophobicContact CD1-CB 3.57Å; L149-R170 HydrophobicContact CD1-CG 3.82Å; L149-R170 HydrophobicContact CD2-CG 4.24Å; L149-Y172 HydrophobicContact CD1-CD1 4.36Å; L149-Y172 HydrophobicContact CD1-CD2 4.25Å; L149-Y172 HydrophobicContact CD1-CE1 4.3Å; L149-Y172 HydrophobicContact CD1-CE2 4.18Å; L149-Y172 HydrophobicContact CD1-CG 4.33Å; L149-Y172 HydrophobicContact CD2-CE1 4.5Å |
| 150 | I | 83.5 | Confident | 65 | Low | 25 Ų | 25 | 77.7 Ų | 77.7 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.8 | 165.9 | -63.6 | 178.4 | 0 | 0 | 0 | 109.2 | Y80 F81 I101 L152 I171 I173 | Y80-I150 HydrophobicContact CD2-CD1 4.35Å; Y80-I150 HydrophobicContact CG-CD1 4.32Å; F81-I150 HydrophobicContact CD2-CG2 4.46Å; F81-I150 HydrophobicContact CE2-CB 4.25Å; F81-I150 HydrophobicContact CE2-CD1 3.71Å; F81-I150 HydrophobicContact CE2-CG2 4Å; F81-I150 HydrophobicContact CZ-CD1 4.34Å; I101-I150 HydrophobicContact CD1-CD1 4.33Å; I101-I150 HydrophobicContact CG2-CD1 4.08Å; I101-I150 HydrophobicContact CG2-CG1 4.15Å; I150-L152 HydrophobicContact CG2-CD2 4.08Å; I150-L152 HydrophobicContact CG2-CG 4.16Å; I150-I171 PolarHBondContact N-O 2.79Å; I150-I171 PolarHBondContact O-N 3.26Å; I150-I173 HydrophobicContact CD1-CD1 3.86Å; I150-I173 HydrophobicContact CG1-CD1 4.1Å |
| 151 | Q | 83.9 | Confident | 66.8 | Low | 63 Ų | 63 | 71 Ų | 71 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.7 | 174.4 | -64.9 | -156.8 | -118.8 | 0 | 0 | 111.7 | Y70 L149 R170 | Y70-Q151 VanDerWaalsContact CB-O 3.23Å; Y70-Q151 WeakPolarHBondContact CB-O 3.49Å; Y70-Q151 HydrophobicContact CD1-CB 4.33Å; Y70-Q151 HydrophobicContact CD2-CB 4.44Å; Y70-Q151 HydrophobicContact CG-CB 3.92Å; Y70-Q151 PolarHBondContact N-O 2.89Å; L149-Q151 HydrophobicContact CD1-CG 4.43Å; L149-Q151 HydrophobicContact CD2-CG 4.06Å; L149-Q151 HydrophobicContact CG-CG 3.96Å; Q151-R170 HydrophobicContact CG-CG 4.34Å |
| 152 | L | 86.9 | Confident | 68.8 | Low | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 169.2 | 175.3 | -57.2 | 179.2 | 0 | 0 | 0 | 110.2 | L67 N68 M77 F81 I150 I169 I171 | L67-L152 HydrophobicContact CD1-CB 3.91Å; L67-L152 HydrophobicContact CD1-CD1 4.39Å; L67-L152 HydrophobicContact CD2-CD1 3.8Å; L67-L152 HydrophobicContact CG-CB 4.34Å; L67-L152 HydrophobicContact CG-CD1 4.16Å; N68-L152 WeakPolarHBondContact O-CA 3.35Å; M77-L152 HydrophobicContact CB-CD2 3.96Å; M77-L152 HydrophobicContact CG-CD1 4.04Å; M77-L152 HydrophobicContact CG-CD2 3.7Å; F81-L152 HydrophobicContact CB-CD1 4.46Å; F81-L152 HydrophobicContact CD2-CD1 4.03Å; F81-L152 HydrophobicContact CG-CD1 4.49Å; I150-L152 HydrophobicContact CG2-CD2 4.08Å; I150-L152 HydrophobicContact CG2-CG 4.16Å; L152-I169 HydrophobicContact CB-CB 4.19Å; L152-I169 HydrophobicContact CB-CG2 4.37Å; L152-I169 PolarHBondContact N-O 3.18Å; L152-I169 PolarHBondContact O-N 3.25Å; L152-I171 HydrophobicContact CD1-CD1 3.88Å |
| 153 | I | 86.3 | Confident | 70.7 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126 | 177.2 | -157.2 | 170.1 | 0 | 0 | 0 | 111.5 | N68 Y70 W166 | N68-I153 HydrophobicContact CB-CG2 3.92Å; N68-I153 PolarHBondContact N-O 2.88Å; N68-I153 PolarHBondContact O-N 2.76Å; Y70-I153 HydrophobicContact CD2-CB 4.2Å; Y70-I153 HydrophobicContact CD2-CD1 4.34Å; Y70-I153 HydrophobicContact CE2-CD1 4.42Å; I153-W166 HydrophobicContact CD1-CB 3.86Å; I153-W166 HydrophobicContact CD1-CD2 4.48Å; I153-W166 HydrophobicContact CD1-CE3 4.08Å; I153-W166 HydrophobicContact CD1-CG 4.45Å; I153-W166 HydrophobicContact CG1-CB 4.11Å; I153-W166 HydrophobicContact CG1-CE3 4.15Å; I153-W166 HydrophobicContact CG2-CE3 4.18Å; I153-W166 HydrophobicContact CG2-CZ3 4.36Å |
| 154 | L | 88.1 | Confident | 73 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.4 | -177.7 | 176 | 66.8 | 0 | 0 | 0 | 110.5 | L30 V34 F65 L67 L83 V156 W166 I167 I169 | L30-L154 HydrophobicContact CB-CD2 4.13Å; L30-L154 HydrophobicContact CD1-CD1 4.47Å; L30-L154 HydrophobicContact CD1-CD2 4.32Å; L30-L154 HydrophobicContact CD2-CD2 4.43Å; V34-L154 HydrophobicContact CG2-CD2 3.54Å; F65-L154 HydrophobicContact CD1-CD1 4.45Å; F65-L154 HydrophobicContact CD2-CD1 4.22Å; F65-L154 HydrophobicContact CE1-CD1 4.25Å; F65-L154 HydrophobicContact CE2-CD1 4.03Å; F65-L154 HydrophobicContact CE2-CD2 3.79Å; F65-L154 HydrophobicContact CE2-CG 4.22Å; F65-L154 HydrophobicContact CG-CD1 4.44Å; F65-L154 HydrophobicContact CZ-CD1 4.04Å; F65-L154 HydrophobicContact CZ-CD2 3.84Å; F65-L154 HydrophobicContact CZ-CG 4.47Å; L67-L154 HydrophobicContact CD1-CB 4.03Å; L83-L154 HydrophobicContact CD2-CD1 4.15Å; L154-V156 HydrophobicContact CD2-CG2 4.15Å; L154-V156 HydrophobicContact CG-CG2 3.91Å; L154-W166 WeakPolarHBondContact O-CA 3.49Å; L154-I167 HydrophobicContact CB-CB 4.48Å; L154-I167 PolarHBondContact N-O 3.07Å; L154-I167 PolarHBondContact O-N 3.36Å; L154-I169 HydrophobicContact CB-CD1 3.56Å; L154-I169 HydrophobicContact CD2-CD1 4.28Å; L154-I169 HydrophobicContact CG-CD1 4.5Å |
| 155 | F | 87 | Confident | 75.1 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.5 | 173.7 | -173.4 | -88.8 | 0 | 0 | 0 | 110.9 | K64 F65 E66 E164 R165 W166 | K64-F155 HydrophobicContact CB-CD1 3.8Å; K64-F155 HydrophobicContact CB-CE1 3.77Å; K64-F155 HydrophobicContact CD-CD1 3.61Å; K64-F155 HydrophobicContact CD-CE1 3.56Å; K64-F155 HydrophobicContact CG-CD1 3.74Å; K64-F155 HydrophobicContact CG-CE1 3.97Å; F65-F155 VanDerWaalsContact CA-O 3.28Å; F65-F155 WeakPolarHBondContact CA-O 3.39Å; E66-F155 PolarHBondContact N-O 3.01Å; E66-F155 VanDerWaalsContact N-O 3.11Å; E66-F155 PolarHBondContact O-N 2.73Å; F155-E164 HydrophobicContact CE2-CB 4.24Å; F155-E164 HydrophobicContact CZ-CB 3.92Å; F155-E164 HydrophobicContact CZ-CG 4.04Å; F155-E164 WeakPolarHBondContact CZ-OE2 3.4Å; F155-R165 WeakPolarHBondContact CA-O 3.43Å; F155-W166 HydrophobicContact CB-CE3 4.16Å; F155-W166 HydrophobicContact CB-CZ3 4.05Å; F155-W166 AromaticContact CD2-CD2 3.72Å; F155-W166 HydrophobicContact CD2-CD2 3.72Å; F155-W166 AromaticContact CD2-CE2 3.51Å; F155-W166 AromaticContact CD2-CE3 3.82Å; F155-W166 HydrophobicContact CD2-CE3 3.82Å; F155-W166 AromaticContact CD2-CH2 3.6Å; F155-W166 HydrophobicContact CD2-CH2 3.6Å; F155-W166 AromaticContact CD2-CZ2 3.47Å; F155-W166 HydrophobicContact CD2-CZ2 3.47Å; F155-W166 VanDerWaalsContact CD2-CZ2 3.47Å; F155-W166 AromaticContact CD2-CZ3 3.77Å; F155-W166 HydrophobicContact CD2-CZ3 3.77Å; F155-W166 HydrophobicContact CE2-CD2 4.4Å; F155-W166 AromaticContact CE2-CE2 3.79Å; F155-W166 HydrophobicContact CE2-CH2 4.21Å; F155-W166 AromaticContact CE2-CZ2 3.69Å; F155-W166 HydrophobicContact CE2-CZ2 3.69Å; F155-W166 HydrophobicContact CG-CH2 4.45Å; F155-W166 HydrophobicContact CG-CZ3 4.37Å |
| 156 | V | 84.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.9 | 179.8 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | I53 L62 F65 L154 R165 I167 | I53-V156 HydrophobicContact CD1-CG1 3.94Å; L62-V156 HydrophobicContact CD1-CG1 4.35Å; L62-V156 HydrophobicContact CD2-CG1 3.99Å; F65-V156 HydrophobicContact CD2-CG1 4.36Å; F65-V156 HydrophobicContact CD2-CG2 3.96Å; F65-V156 HydrophobicContact CE2-CG2 3.98Å; L154-V156 HydrophobicContact CD2-CG2 4.15Å; L154-V156 HydrophobicContact CG-CG2 3.91Å; V156-R165 PolarHBondContact N-O 2.81Å; V156-R165 PolarHBondContact O-N 2.88Å; V156-I167 HydrophobicContact CG2-CD1 4.07Å |
| 157 | S | 81.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140.7 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 111 | L62 R63 K64 | L62-S157 WeakPolarHBondContact CB-O 3.5Å; R63-S157 PolarHBondContact N-O 3.11Å; K64-S157 PolarHBondContact N-O 3.46Å; K64-S157 PolarHBondContact O-N 2.82Å |
| 158 | L | 72 | Confident | 79.3 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 150 | 177.8 | -88.8 | 166.9 | 0 | 0 | 0 | 112.6 | L49 R52 L56 L62 R63 N160 | L49-L158 HydrophobicContact CB-CD1 3.85Å; L49-L158 HydrophobicContact CD1-CB 4.31Å; L49-L158 HydrophobicContact CD1-CD1 3.88Å; L49-L158 HydrophobicContact CD1-CG 4.06Å; L49-L158 HydrophobicContact CG-CD1 3.76Å; L49-L158 HydrophobicContact CG-CG 4.38Å; R52-L158 HydrophobicContact CB-CD1 3.57Å; R52-L158 HydrophobicContact CB-CD2 4.3Å; R52-L158 HydrophobicContact CG-CD1 4.41Å; L56-L158 HydrophobicContact CD1-CD2 4.08Å; L56-L158 HydrophobicContact CD2-CD2 4.28Å; L62-L158 HydrophobicContact CD2-CD2 3.98Å; L62-L158 HydrophobicContact CD2-CG 4.2Å; R63-L158 WeakPolarHBondContact CB-O 3.35Å; L158-N160 PolarHBondContact O-N 2.91Å |
| 159 | K | 67.1 | Low | 79.6 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 134.7 | 162.9 | -78.3 | 167.1 | 178.9 | 161.1 | 0 | 109.5 | K60 L62 R63 | K60-K159 PolarHBondContact O-NZ 2.81Å; L62-K159 WeakPolarHBondContact O-CD 3.43Å; L62-K159 WeakPolarHBondContact O-CE 3.34Å; L62-K159 PolarHBondContact O-NZ 3.08Å; R63-K159 HydrophobicContact CB-CG 4.07Å |
| 160 | N | 67.6 | Low | 79.8 | Confident | 160 Ų | 160 | 48.9 Ų | 48.9 | 86% | 0.856 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 49.8 | -176.9 | -55.4 | -2.2 | 0 | 0 | 0 | 112.9 | R52 L158 | R52-N160 PolarHBondContact NH1-O 3.44Å; L158-N160 PolarHBondContact O-N 2.91Å |
| 161 | S | 65.4 | Low | 80.1 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 16% | 0.161 | 23% | 0.23 | C | C | . | . | trans | -143.5 | 144.7 | 169.3 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | D163 | S161-D163 VanDerWaalsContact C-N 3.35Å; S161-D163 VanDerWaalsContact OG-CB 3.28Å; S161-D163 WeakPolarHBondContact OG-CB 3.38Å; S161-D163 PolarHBondContact OG-N 3.46Å | ||
| 162 | T | 68.5 | Low | 80.3 | Confident | 143 Ų | 143 | 46.8 Ų | 46.8 | 88% | 0.877 | 22% | 0.224 | S | C | * | . | trans | -90.1 | -4.6 | 165.5 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | E164 | T162-E164 PolarHBondContact O-N 2.75Š| ||
| 163 | D | 67.3 | Low | 80.3 | Confident | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.16 | 23% | 0.225 | C | C | . | . | trans | -77.7 | 116.1 | 179.2 | -149.8 | 6.8 | 0 | 0 | 0 | 109 | S47 L49 S161 R165 | S47-D163 PolarHBondContact OG-OD2 3.08Å; L49-D163 HydrophobicContact CB-CB 3.88Å; L49-D163 VanDerWaalsContact CB-OD2 3.31Å; L49-D163 WeakPolarHBondContact CB-OD2 3.31Å; L49-D163 HydrophobicContact CD1-CB 4.09Å; L49-D163 VanDerWaalsContact CD1-O 3.24Å; L49-D163 WeakPolarHBondContact CD1-O 3.33Å; S161-D163 VanDerWaalsContact C-N 3.35Å; S161-D163 VanDerWaalsContact OG-CB 3.28Å; S161-D163 WeakPolarHBondContact OG-CB 3.38Å; S161-D163 PolarHBondContact OG-N 3.46Å; D163-R165 IonicContact OD1-CZ 3.81Å; D163-R165 IonicContact OD1-NH1 2.77Å; D163-R165 PolarHBondContact OD1-NH1 2.94Å; D163-R165 IonicContact OD1-NH2 3.98Å; D163-R165 PolarHBondContact OD1-NH2 2.82Å; D163-R165 IonicContact OD2-NH2 3.65Å; D163-R165 PolarHBondContact OD2-NH2 2.93Å | ||
| 164 | E | 75.4 | Confident | 80.3 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.8 | -178.3 | -60.9 | -172.5 | 159 | 0 | 0 | 109.4 | R63 F155 T162 | R63-E164 IonicContact CZ-OE1 3.37Å; R63-E164 IonicContact NH1-OE1 2.7Å; R63-E164 PolarHBondContact NH1-OE1 3.48Å; R63-E164 IonicContact NH2-OE1 3.78Å; F155-E164 HydrophobicContact CE2-CB 4.24Å; F155-E164 HydrophobicContact CZ-CB 3.92Å; F155-E164 HydrophobicContact CZ-CG 4.04Å; F155-E164 WeakPolarHBondContact CZ-OE2 3.4Å; T162-E164 PolarHBondContact O-N 2.75Å |
| 165 | R | 78.6 | Confident | 80 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.5 | -173.2 | -72.7 | -75.2 | -178.7 | -66.1 | -17.3 | 111.9 | Y38 L49 F155 V156 D163 | Y38-R165 WeakPolarHBondContact OH-CG 3.44Å; L49-R165 HydrophobicContact CD2-CG 4.05Å; F155-R165 WeakPolarHBondContact CA-O 3.43Å; V156-R165 PolarHBondContact N-O 2.81Å; V156-R165 PolarHBondContact O-N 2.88Å; D163-R165 IonicContact OD1-CZ 3.81Å; D163-R165 IonicContact OD1-NH1 2.77Å; D163-R165 PolarHBondContact OD1-NH1 2.94Å; D163-R165 IonicContact OD1-NH2 3.98Å; D163-R165 PolarHBondContact OD1-NH2 2.82Å; D163-R165 IonicContact OD2-NH2 3.65Å; D163-R165 PolarHBondContact OD2-NH2 2.93Å |
| 166 | W | 83.9 | Confident | 79.7 | Confident | 147 Ų | 147 | 52.1 Ų | 52.1 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.2 | 168.2 | -58 | 91.9 | 0 | 0 | 0 | 107.8 | I153 L154 F155 | I153-W166 HydrophobicContact CD1-CB 3.86Å; I153-W166 HydrophobicContact CD1-CD2 4.48Å; I153-W166 HydrophobicContact CD1-CE3 4.08Å; I153-W166 HydrophobicContact CD1-CG 4.45Å; I153-W166 HydrophobicContact CG1-CB 4.11Å; I153-W166 HydrophobicContact CG1-CE3 4.15Å; I153-W166 HydrophobicContact CG2-CE3 4.18Å; I153-W166 HydrophobicContact CG2-CZ3 4.36Å; L154-W166 WeakPolarHBondContact O-CA 3.49Å; F155-W166 HydrophobicContact CB-CE3 4.16Å; F155-W166 HydrophobicContact CB-CZ3 4.05Å; F155-W166 AromaticContact CD2-CD2 3.72Å; F155-W166 HydrophobicContact CD2-CD2 3.72Å; F155-W166 AromaticContact CD2-CE2 3.51Å; F155-W166 AromaticContact CD2-CE3 3.82Å; F155-W166 HydrophobicContact CD2-CE3 3.82Å; F155-W166 AromaticContact CD2-CH2 3.6Å; F155-W166 HydrophobicContact CD2-CH2 3.6Å; F155-W166 AromaticContact CD2-CZ2 3.47Å; F155-W166 HydrophobicContact CD2-CZ2 3.47Å; F155-W166 VanDerWaalsContact CD2-CZ2 3.47Å; F155-W166 AromaticContact CD2-CZ3 3.77Å; F155-W166 HydrophobicContact CD2-CZ3 3.77Å; F155-W166 HydrophobicContact CE2-CD2 4.4Å; F155-W166 AromaticContact CE2-CE2 3.79Å; F155-W166 HydrophobicContact CE2-CH2 4.21Å; F155-W166 AromaticContact CE2-CZ2 3.69Å; F155-W166 HydrophobicContact CE2-CZ2 3.69Å; F155-W166 HydrophobicContact CG-CH2 4.45Å; F155-W166 HydrophobicContact CG-CZ3 4.37Å |
| 167 | I | 85.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 104.5 | 179.9 | -60.3 | 175.1 | 0 | 0 | 0 | 107.3 | M11 I13 V34 L37 Y38 L154 V156 | M11-I167 HydrophobicContact CB-CG1 4.41Å; M11-I167 HydrophobicContact CB-CG2 4.29Å; M11-I167 HydrophobicContact SD-CD1 4.21Å; M11-I167 HydrophobicContact SD-CG1 4.18Å; I13-I167 HydrophobicContact CD1-CG2 4.05Å; I13-I167 HydrophobicContact CG1-CG2 4.16Å; V34-I167 HydrophobicContact CG1-CD1 4.09Å; V34-I167 HydrophobicContact CG2-CD1 3.8Å; L37-I167 HydrophobicContact CD1-CG2 4.4Å; Y38-I167 HydrophobicContact CE2-CD1 4.21Å; L154-I167 HydrophobicContact CB-CB 4.48Å; L154-I167 PolarHBondContact N-O 3.07Å; L154-I167 PolarHBondContact O-N 3.36Å; V156-I167 HydrophobicContact CG2-CD1 4.07Å |
| 168 | P | 87.5 | Confident | 79.4 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 21% | 0.208 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 139.6 | 169.2 | -30.3 | 35.2 | 0 | 0 | 0 | 112.7 | M11 L12 I13 Y70 | M11-P168 WeakPolarHBondContact O-CD 3.35Å; L12-P168 HydrophobicContact CD1-CB 4.08Å; I13-P168 PolarHBondContact N-O 3.18Å; I13-P168 VanDerWaalsContact N-O 3.09Å; Y70-P168 HydrophobicContact CE2-CB 4.19Å; Y70-P168 HydrophobicContact CE2-CG 4.16Å |
| 169 | I | 87.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.2 | 172.4 | -73.7 | 150.8 | 0 | 0 | 0 | 108.1 | I13 L30 L67 L152 L154 I171 | I13-I169 HydrophobicContact CB-CG1 3.93Å; I13-I169 HydrophobicContact CG2-CG1 4.31Å; I13-I169 CarbonylContact O-C 3.59Å; I13-I169 VanDerWaalsContact O-CA 3.29Å; I13-I169 WeakPolarHBondContact O-CA 3.15Å; L30-I169 HydrophobicContact CD1-CD1 3.76Å; L30-I169 HydrophobicContact CD2-CD1 3.46Å; L30-I169 VanDerWaalsContact CD2-CD1 3.46Å; L30-I169 HydrophobicContact CD2-CG1 3.91Å; L30-I169 HydrophobicContact CG-CD1 4.29Å; L67-I169 HydrophobicContact CD1-CD1 3.32Å; L152-I169 HydrophobicContact CB-CB 4.19Å; L152-I169 HydrophobicContact CB-CG2 4.37Å; L152-I169 PolarHBondContact N-O 3.18Å; L152-I169 PolarHBondContact O-N 3.25Å; L154-I169 HydrophobicContact CB-CD1 3.56Å; L154-I169 HydrophobicContact CD2-CD1 4.28Å; L154-I169 HydrophobicContact CG-CD1 4.5Å; I169-I171 HydrophobicContact CG2-CD1 4.3Å; I169-I171 HydrophobicContact CG2-CG1 3.9Å |
| 170 | R | 87.9 | Confident | 80.2 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 33% | 0.328 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.4 | 172.9 | -77.5 | -174.1 | 179.1 | 162.6 | -1 | 109.1 | L12 I13 S14 Y15 L149 Q151 Y172 | L12-R170 HydrophobicContact CD1-CB 4.21Å; L12-R170 HydrophobicContact CD1-CG 3.85Å; I13-R170 PolarHBondContact O-N 3.22Å; S14-R170 CarbonylContact C-O 3.54Å; S14-R170 VanDerWaalsContact CA-O 3.28Å; S14-R170 WeakPolarHBondContact CA-O 3.27Å; Y15-R170 PolarHBondContact N-O 3.19Å; L149-R170 HydrophobicContact CD1-CB 3.57Å; L149-R170 HydrophobicContact CD1-CG 3.82Å; L149-R170 HydrophobicContact CD2-CG 4.24Å; Q151-R170 HydrophobicContact CG-CG 4.34Å; R170-Y172 HydrophobicContact CB-CD2 4.34Å; R170-Y172 HydrophobicContact CB-CE2 3.73Å |
| 171 | I | 88.9 | Confident | 81 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 103.1 | 175.4 | -54.2 | 176.3 | 0 | 0 | 0 | 106.8 | Y15 I17 F81 L90 I150 L152 I169 | Y15-I171 WeakPolarHBondContact O-CA 3.26Å; I17-I171 HydrophobicContact CD1-CG2 3.64Å; I17-I171 HydrophobicContact CG1-CG2 3.79Å; F81-I171 HydrophobicContact CD1-CD1 4.16Å; F81-I171 HydrophobicContact CD2-CD1 3.86Å; F81-I171 HydrophobicContact CE1-CD1 3.97Å; F81-I171 HydrophobicContact CE1-CG2 4.34Å; F81-I171 HydrophobicContact CE2-CD1 3.64Å; F81-I171 HydrophobicContact CE2-CG2 4.44Å; F81-I171 HydrophobicContact CG-CD1 4.12Å; F81-I171 HydrophobicContact CZ-CB 4.36Å; F81-I171 HydrophobicContact CZ-CD1 3.71Å; F81-I171 HydrophobicContact CZ-CG2 3.79Å; L90-I171 HydrophobicContact CD2-CD1 3.85Å; I150-I171 PolarHBondContact N-O 2.79Å; I150-I171 PolarHBondContact O-N 3.26Å; L152-I171 HydrophobicContact CD1-CD1 3.88Å; I169-I171 HydrophobicContact CG2-CD1 4.3Å; I169-I171 HydrophobicContact CG2-CG1 3.9Å |
| 172 | Y | 88.3 | Confident | 81.7 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.7 | 175.3 | -66.1 | -96.2 | 0 | 0 | 0 | 108.5 | Y15 R16 I17 D147 C148 L149 R170 | Y15-Y172 WeakPolarHBondContact O-CD2 3.39Å; Y15-Y172 PolarHBondContact O-N 2.93Å; R16-Y172 WeakPolarHBondContact CA-O 3.44Å; I17-Y172 PolarHBondContact N-O 3.06Å; D147-Y172 HydrophobicContact CB-CD1 3.91Å; D147-Y172 HydrophobicContact CB-CE1 3.93Å; D147-Y172 VanDerWaalsContact OD2-CE1 3.23Å; D147-Y172 WeakPolarHBondContact OD2-CE1 3.47Å; C148-Y172 WeakPolarHBondContact O-CA 3.34Å; L149-Y172 HydrophobicContact CD1-CD1 4.36Å; L149-Y172 HydrophobicContact CD1-CD2 4.25Å; L149-Y172 HydrophobicContact CD1-CE1 4.3Å; L149-Y172 HydrophobicContact CD1-CE2 4.18Å; L149-Y172 HydrophobicContact CD1-CG 4.33Å; L149-Y172 HydrophobicContact CD2-CE1 4.5Å; R170-Y172 HydrophobicContact CB-CD2 4.34Å; R170-Y172 HydrophobicContact CB-CE2 3.73Å |
| 173 | I | 87.2 | Confident | 82.2 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.4 | 174.4 | -56.3 | 168.2 | 0 | 0 | 0 | 107.4 | I17 E19 I96 Y98 I101 C148 I150 | I17-I173 HydrophobicContact CD1-CG1 4.49Å; I17-I173 HydrophobicContact CG1-CG1 4.39Å; I17-I173 CarbonylContact O-C 3.54Å; I17-I173 WeakPolarHBondContact O-CA 3.37Å; E19-I173 HydrophobicContact CB-CG2 3.88Å; I96-I173 HydrophobicContact CG2-CD1 3.61Å; I96-I173 HydrophobicContact CG2-CG1 3.95Å; I96-I173 HydrophobicContact CG2-CG2 3.89Å; Y98-I173 HydrophobicContact CD2-CG2 4.06Å; I101-I173 HydrophobicContact CB-CD1 4.47Å; I101-I173 HydrophobicContact CD1-CD1 3.87Å; I101-I173 HydrophobicContact CG2-CD1 3.94Å; C148-I173 HydrophobicContact CB-CB 4.25Å; C148-I173 PolarHBondContact O-N 3.43Å; I150-I173 HydrophobicContact CD1-CD1 3.86Å; I150-I173 HydrophobicContact CG1-CD1 4.1Å |
| 174 | E | 85.2 | Confident | 82.1 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.3 | 172.1 | -60.6 | -178.7 | 126 | 0 | 0 | 109.2 | R16 I17 Q18 E19 | R16-E174 WeakPolarHBondContact CD-OE1 3.46Å; R16-E174 HydrophobicContact CG-CG 3.78Å; R16-E174 IonicContact CZ-OE1 3.59Å; R16-E174 IonicContact NE-OE1 2.75Å; R16-E174 IonicContact NH1-OE1 2.65Å; R16-E174 PolarHBondContact NH1-OE1 3.48Å; I17-E174 PolarHBondContact O-N 2.79Å; Q18-E174 WeakPolarHBondContact CA-O 3.32Å; Q18-E174 HydrophobicContact CG-CB 4.38Å; E19-E174 PolarHBondContact N-O 2.83Å; E19-E174 VanDerWaalsContact N-O 3.1Å |
| 175 | D | 82.6 | Confident | 81.1 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 126.8 | 169.1 | -168.7 | 104.2 | 0 | 0 | 0 | 109.4 | E19 Y98 K104 T219 | E19-D175 WeakPolarHBondContact OE1-CA 3.46Å; Y98-D175 HydrophobicContact CD2-CB 3.75Å; Y98-D175 HydrophobicContact CE2-CB 3.64Å; Y98-D175 HydrophobicContact CG-CB 4.37Å; K104-D175 IonicContact NZ-OD1 3.76Å; K104-D175 PolarHBondContact NZ-OD1 2.66Å; D175-T219 HydrophobicContact CB-CG2 3.8Å; D175-T219 VanDerWaalsContact CG-CG2 3.48Å; D175-T219 VanDerWaalsContact CG-N 3.28Å; D175-T219 PolarHBondContact OD1-N 2.88Å; D175-T219 VanDerWaalsContact OD2-CB 3.26Å; D175-T219 WeakPolarHBondContact OD2-CB 3.39Å; D175-T219 WeakPolarHBondContact OD2-CG2 3.46Å; D175-T219 PolarHBondContact OD2-N 2.92Å; D175-T219 PolarHBondContact OD2-OG1 2.91Å |
| 176 | I | 81.6 | Confident | 79.9 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -101.9 | 137.4 | 167.2 | -66.9 | 174.3 | 0 | 0 | 0 | 107 | Q18 E19 E20 D178 | Q18-I176 HydrophobicContact CB-CD1 3.96Å; Q18-I176 HydrophobicContact CB-CG1 4.18Å; E19-I176 HydrophobicContact CG-CB 3.89Å; E19-I176 HydrophobicContact CG-CD1 3.85Å; E19-I176 HydrophobicContact CG-CG1 3.78Å; E19-I176 PolarHBondContact OE1-N 2.85Å; E20-I176 HydrophobicContact CB-CD1 4.19Å; I176-D178 HydrophobicContact CB-CB 4.4Å; I176-D178 HydrophobicContact CG2-CB 3.97Å; I176-D178 PolarHBondContact O-N 3.36Å |
| 177 | N | 78.6 | Confident | 77.8 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | trans | -69.6 | 84.3 | 165.3 | -179.1 | -36.2 | 0 | 0 | 0 | 108.5 | D218 T222 E302 | N177-D218 WeakPolarHBondContact CA-OD2 3.34Å; N177-T222 HydrophobicContact CB-CG2 4.48Å; N177-E302 PolarHBondContact ND2-OE1 3.44Å; N177-E302 PolarHBondContact ND2-OE2 3.28Å | ||
| 178 | D | 80.6 | Confident | 75.5 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | trans | -116.1 | -22.7 | -175.3 | 141.2 | -65.6 | 0 | 0 | 0 | 111 | I176 | I176-D178 HydrophobicContact CB-CB 4.4Å; I176-D178 HydrophobicContact CG2-CB 3.97Å; I176-D178 PolarHBondContact O-N 3.36Å | ||
| 179 | N | 79 | Confident | 73.4 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -83.3 | -155.5 | 170.2 | -67.3 | -88.3 | 0 | 0 | 0 | 111.3 | K182 D216 L217 D218 | N179-K182 PolarHBondContact OD1-NZ 2.86Å; N179-D216 WeakPolarHBondContact CB-OD1 3.32Å; N179-L217 HydrophobicContact CB-CB 4.21Å; N179-D218 WeakPolarHBondContact CB-OD1 3.46Å; N179-D218 PolarHBondContact N-OD1 2.89Å; N179-D218 PolarHBondContact N-OD2 2.65Å; N179-D218 PolarHBondContact ND2-OD1 3.17Å |
| 180 | R | 77.7 | Confident | 71.2 | Confident | 130 Ų | 130 | 72.5 Ų | 72.5 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | trans | -172.6 | 157.3 | -179.4 | 65.6 | 176.9 | -174.9 | 176.7 | 0.8 | 107.1 | K182 D216 T309 | R180-K182 WeakPolarHBondContact O-CE 3.49Å; R180-K182 WeakPolarHBondContact O-CG 3.14Å; R180-K182 PolarHBondContact O-N 2.79Å; R180-D216 WeakPolarHBondContact CA-OD1 3.49Å; R180-D216 WeakPolarHBondContact CA-OD2 3.33Å; R180-D216 PolarHBondContact N-OD1 3.49Å; R180-D216 VanDerWaalsContact O-OD1 3.13Å; R180-T309 PolarHBondContact NH1-O 3.16Å | ||
| 181 | P | 83.1 | Confident | 69 | Low | 4 Ų | 4 | 79.8 Ų | 79.8 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | trans | -57.9 | 141.2 | -177.1 | -27.2 | 36.7 | 0 | 0 | 0 | 112 | A214 Y215 D216 I226 A300 A312 | P181-A214 HydrophobicContact CB-CB 4.09Å; P181-Y215 CarbonylContact C-O 3.58Å; P181-Y215 WeakPolarHBondContact CA-O 3.2Å; P181-D216 WeakPolarHBondContact CD-OD2 3.3Å; P181-D216 WeakPolarHBondContact CG-OD2 3.41Å; P181-I226 HydrophobicContact CB-CD1 4.28Å; P181-I226 HydrophobicContact CG-CD1 4.32Å; P181-I226 HydrophobicContact CG-CG1 4.19Å; P181-A300 HydrophobicContact CB-CB 4.41Å; P181-A312 HydrophobicContact CB-CB 4.23Å; P181-A312 VanDerWaalsContact O-CB 3.3Å; P181-A312 WeakPolarHBondContact O-CB 3.32Å | ||
| 182 | K | 80 | Confident | 67.1 | Low | 77 Ų | 77 | 87.3 Ų | 87.3 | 34% | 0.335 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -135.6 | 143.3 | -179.8 | -69.4 | 149.2 | -165.2 | 162 | 0 | 110 | N179 R180 A214 Y215 L217 | N179-K182 PolarHBondContact OD1-NZ 2.86Å; R180-K182 WeakPolarHBondContact O-CE 3.49Å; R180-K182 WeakPolarHBondContact O-CG 3.14Å; R180-K182 PolarHBondContact O-N 2.79Å; K182-A214 WeakPolarHBondContact O-CA 3.34Å; K182-Y215 PolarHBondContact N-O 2.91Å; K182-Y215 PolarHBondContact O-N 3.34Å; K182-L217 HydrophobicContact CD-CD1 4.46Å; K182-L217 HydrophobicContact CD-CG 4.49Å |
| 183 | F | 79.9 | Confident | 65.9 | Low | 20 Ų | 20 | 88 Ų | 88 | 9% | 0.088 | 43% | 0.427 | C | S | . | . | trans | -97.2 | 110 | 174 | -73.3 | -70.3 | 0 | 0 | 0 | 108.6 | E185 F186 M212 A214 Y228 L298 A300 A312 L314 | F183-E185 PolarHBondContact O-N 3.05Å; F183-F186 HydrophobicContact CB-CD2 4.43Å; F183-F186 PolarHBondContact O-N 3.26Å; F183-M212 HydrophobicContact CB-CE 3.75Å; F183-M212 HydrophobicContact CD1-CB 4.47Å; F183-M212 HydrophobicContact CD1-CE 4.4Å; F183-M212 WeakPolarHBondContact CE1-O 3.35Å; F183-A214 HydrophobicContact CD1-CB 3.91Å; F183-A214 HydrophobicContact CE1-CB 3.64Å; F183-A214 HydrophobicContact CE2-CB 4.41Å; F183-A214 HydrophobicContact CG-CB 4.42Å; F183-A214 HydrophobicContact CZ-CB 3.92Å; F183-Y228 HydrophobicContact CE1-CE1 4.41Å; F183-L298 HydrophobicContact CE1-CD2 4Å; F183-L298 HydrophobicContact CZ-CD2 3.94Å; F183-L298 HydrophobicContact CZ-CG 4.15Å; F183-A300 HydrophobicContact CE2-CB 4.22Å; F183-A300 HydrophobicContact CZ-CB 3.83Å; F183-A312 HydrophobicContact CD2-CB 3.5Å; F183-A312 VanDerWaalsContact CD2-CB 3.5Å; F183-A312 HydrophobicContact CE2-CB 3.4Å; F183-A312 HydrophobicContact CZ-CB 4.39Å; F183-L314 HydrophobicContact CD1-CB 4.42Å; F183-L314 HydrophobicContact CD1-CD2 4.05Å; F183-L314 HydrophobicContact CD2-CB 3.66Å; F183-L314 HydrophobicContact CE1-CB 4.27Å; F183-L314 HydrophobicContact CE1-CD2 4.01Å; F183-L314 HydrophobicContact CE2-CB 3.49Å; F183-L314 VanDerWaalsContact CE2-CB 3.49Å; F183-L314 HydrophobicContact CG-CB 4.14Å; F183-L314 HydrophobicContact CG-CD2 4.41Å; F183-L314 HydrophobicContact CZ-CB 3.81Å; F183-L314 HydrophobicContact CZ-CD2 4.33Å | ||
| 184 | I | 64.1 | Low | 65.4 | Low | 77 Ų | 77 | 91.9 Ų | 91.9 | 40% | 0.395 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -34.1 | -158.7 | -69.5 | 177.6 | 0 | 0 | 0 | 114.6 | L106 Y215 | L106-I184 HydrophobicContact CD2-CD1 4.1Å; I184-Y215 HydrophobicContact CD1-CD1 4.34Å; I184-Y215 HydrophobicContact CD1-CD2 3.39Å; I184-Y215 HydrophobicContact CD1-CE2 3.75Å; I184-Y215 HydrophobicContact CD1-CG 3.73Å; I184-Y215 HydrophobicContact CG1-CD2 3.78Å; I184-Y215 HydrophobicContact CG1-CE2 4.34Å; I184-Y215 HydrophobicContact CG1-CG 4.36Å |
| 185 | E | 55.3 | Low | 65.3 | Low | 150 Ų | 150 | 91 Ų | 91 | 70% | 0.701 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.1 | -172.2 | -57.3 | -169 | 143.9 | 0 | 0 | 115.2 | F183 N187 M212 | F183-E185 PolarHBondContact O-N 3.05Å; E185-N187 PolarHBondContact O-N 3.5Å; E185-M212 HydrophobicContact CB-CE 3.98Å; E185-M212 HydrophobicContact CB-SD 3.99Å; E185-M212 HydrophobicContact CG-CE 4.38Å; E185-M212 HydrophobicContact CG-SD 3.79Å |
| 186 | F | 52.6 | Low | 65.5 | Low | 79 Ų | 79 | 94.3 Ų | 94.3 | 35% | 0.346 | 46% | 0.455 | S | S | . | . | trans | -83.9 | 61.3 | -178.1 | -79.7 | -93 | 0 | 0 | 0 | 112.7 | F183 D193 F195 M212 L314 | F183-F186 HydrophobicContact CB-CD2 4.43Å; F183-F186 PolarHBondContact O-N 3.26Å; F186-D193 HydrophobicContact CD1-CB 4.46Å; F186-D193 HydrophobicContact CE1-CB 4.28Å; F186-D193 WeakPolarHBondContact CE1-O 3.39Å; F186-F195 HydrophobicContact CE2-CB 4.4Å; F186-F195 HydrophobicContact CE2-CD2 4.48Å; F186-F195 HydrophobicContact CZ-CB 3.93Å; F186-M212 HydrophobicContact CD2-CE 3.6Å; F186-M212 HydrophobicContact CE2-CE 3.66Å; F186-L314 HydrophobicContact CD1-CD1 4.48Å; F186-L314 HydrophobicContact CD2-CD1 3.58Å; F186-L314 HydrophobicContact CE1-CD1 4.15Å; F186-L314 HydrophobicContact CE2-CD1 3.22Å; F186-L314 HydrophobicContact CG-CD1 4.24Å; F186-L314 HydrophobicContact CZ-CD1 3.54Å | ||
| 187 | N | 40 | Very low | 65.8 | Low | 160 Ų | 160 | 92.5 Ų | 92.5 | 86% | 0.856 | 45% | 0.446 | S | S | * | . | trans | -122.7 | 41.5 | -178.8 | -137 | -7.8 | 0 | 0 | 0 | 111.8 | E185 | E185-N187 PolarHBondContact O-N 3.5Š| ||
| 188 | S | 38 | Very low | 66.4 | Low | 71 Ų | 71 | 93.5 Ų | 93.5 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | trans | -108.7 | 140.7 | 170.4 | 162.9 | 0 | 0 | 0 | 0 | 109.8 | K190 D193 | S188-K190 VanDerWaalsContact C-N 3.28Å; S188-K190 PolarHBondContact O-N 3.07Å; S188-D193 WeakPolarHBondContact CB-OD2 3.42Å; S188-D193 PolarHBondContact OG-OD2 2.84Å | ||
| 189 | S | 42.6 | Very low | 67 | Low | 131 Ų | 131 | 90.2 Ų | 90.2 | 92% | 0.916 | 44% | 0.437 | S | S | * | . | trans | -91.9 | 34.5 | -172.3 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 190 | K | 42.3 | Very low | 67.7 | Low | 161 Ų | 161 | 93.6 Ų | 93.6 | 70% | 0.7 | 45% | 0.45 | S | S | * | . | trans | -117.1 | 142.6 | -179.7 | -73.2 | 179.5 | 177.9 | 174.8 | 0 | 111.8 | S188 F192 | S188-K190 VanDerWaalsContact C-N 3.28Å; S188-K190 PolarHBondContact O-N 3.07Å; K190-F192 PolarHBondContact O-N 2.9Å | ||
| 191 | W | 41.4 | Very low | 68.4 | Low | 240 Ų | 240 | 87.8 Ų | 87.8 | 91% | 0.909 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 1.4 | -163.6 | -152.5 | -78.4 | 0 | 0 | 0 | 115 | ||
| 192 | F | 49.4 | Very low | 68.8 | Low | 159 Ų | 159 | 91.9 Ų | 91.9 | 70% | 0.697 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.8 | 30.3 | -169.3 | -61.8 | -73.2 | 0 | 0 | 0 | 113.3 | K190 Y194 | K190-F192 PolarHBondContact O-N 2.9Å; F192-Y194 WeakPolarHBondContact O-CD2 3.32Å; F192-Y194 PolarHBondContact O-N 3.3Å |
| 193 | D | 63.8 | Low | 69.3 | Low | 57 Ų | 57 | 89.6 Ų | 89.6 | 31% | 0.305 | 44% | 0.442 | S | S | . | . | trans | -77.3 | 107.4 | -179.7 | -63.9 | -29 | 0 | 0 | 0 | 109.9 | F186 S188 | F186-D193 HydrophobicContact CD1-CB 4.46Å; F186-D193 HydrophobicContact CE1-CB 4.28Å; F186-D193 WeakPolarHBondContact CE1-O 3.39Å; S188-D193 WeakPolarHBondContact CB-OD2 3.42Å; S188-D193 PolarHBondContact OG-OD2 2.84Å | ||
| 194 | Y | 74.8 | Confident | 69.9 | Low | 90 Ų | 90 | 92.9 Ų | 92.9 | 35% | 0.353 | 47% | 0.465 | S | S | . | . | trans | -99 | 148.1 | 172.3 | -69.1 | -96.6 | 0 | 0 | 0 | 110.2 | F192 N196 S295 P315 K317 | F192-Y194 WeakPolarHBondContact O-CD2 3.32Å; F192-Y194 PolarHBondContact O-N 3.3Å; Y194-N196 PolarHBondContact O-N 2.89Å; Y194-N196 VanDerWaalsContact O-N 3.16Å; Y194-N196 PolarHBondContact O-ND2 2.93Å; Y194-S295 WeakPolarHBondContact CE1-OG 3.35Å; Y194-P315 CarbonylContact C-O 3.55Å; Y194-P315 WeakPolarHBondContact CA-O 3.43Å; Y194-P315 HydrophobicContact CD1-CB 3.76Å; Y194-P315 HydrophobicContact CE1-CB 4.02Å; Y194-K317 HydrophobicContact CD1-CB 3.9Å; Y194-K317 HydrophobicContact CG-CB 3.86Å | ||
| 195 | F | 83.3 | Confident | 71.1 | Confident | 49 Ų | 49 | 93.9 Ų | 93.9 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 106.8 | 159.6 | -172.6 | -107.1 | 0 | 0 | 0 | 108.4 | F186 V197 L211 M212 L314 P315 I316 K317 | F186-F195 HydrophobicContact CE2-CB 4.4Å; F186-F195 HydrophobicContact CE2-CD2 4.48Å; F186-F195 HydrophobicContact CZ-CB 3.93Å; F195-V197 HydrophobicContact CD1-CG2 3.65Å; F195-V197 HydrophobicContact CE1-CG2 3.61Å; F195-V197 PolarHBondContact O-N 3.47Å; F195-L211 HydrophobicContact CD1-CD2 4.45Å; F195-L211 HydrophobicContact CE1-CD2 4.1Å; F195-M212 HydrophobicContact CE2-CB 4.41Å; F195-L314 HydrophobicContact CB-CD1 3.95Å; F195-L314 HydrophobicContact CB-CD2 4.29Å; F195-L314 HydrophobicContact CB-CG 4.16Å; F195-L314 HydrophobicContact CG-CD2 4.41Å; F195-P315 PolarHBondContact N-O 2.95Å; F195-I316 HydrophobicContact CB-CG1 4.17Å; F195-I316 HydrophobicContact CD1-CG1 4.23Å; F195-I316 HydrophobicContact CD1-CG2 4.42Å; F195-I316 CarbonylContact O-C 3.55Å; F195-I316 WeakPolarHBondContact O-CA 3.35Å; F195-K317 PolarHBondContact O-N 2.89Å |
| 196 | N | 86.7 | Confident | 72.6 | Confident | 102 Ų | 102 | 88.6 Ų | 88.6 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 114.2 | -177 | -66.9 | -67.9 | 0 | 0 | 0 | 110.1 | Y194 K317 | Y194-N196 PolarHBondContact O-N 2.89Å; Y194-N196 VanDerWaalsContact O-N 3.16Å; Y194-N196 PolarHBondContact O-ND2 2.93Å; N196-K317 WeakPolarHBondContact CA-O 3.44Å |
| 197 | V | 87.6 | Confident | 74.3 | Confident | 10 Ų | 10 | 87.1 Ų | 87.1 | 6% | 0.061 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.9 | 170.7 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | F195 I199 I209 L211 I316 K317 I318 T319 | F195-V197 HydrophobicContact CD1-CG2 3.65Å; F195-V197 HydrophobicContact CE1-CG2 3.61Å; F195-V197 PolarHBondContact O-N 3.47Å; V197-I199 HydrophobicContact CG1-CD1 3.97Å; V197-I199 HydrophobicContact CG1-CG1 3.86Å; V197-I209 HydrophobicContact CG1-CD1 4.29Å; V197-I209 HydrophobicContact CG1-CG2 3.93Å; V197-L211 HydrophobicContact CG2-CD2 4.24Å; V197-I316 HydrophobicContact CB-CG2 4.43Å; V197-I316 HydrophobicContact CG2-CG2 3.8Å; V197-K317 PolarHBondContact N-O 3.27Å; V197-I318 HydrophobicContact CB-CG1 4.28Å; V197-I318 CarbonylContact O-C 3.57Å; V197-I318 VanDerWaalsContact O-CA 3.29Å; V197-I318 WeakPolarHBondContact O-CA 3.39Å; V197-T319 PolarHBondContact O-N 3.48Å |
| 198 | T | 92.7 | Very high | 76.6 | Confident | 87 Ų | 87 | 85.4 Ų | 85.4 | 53% | 0.534 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.7 | -177.9 | -50.2 | 0 | 0 | 0 | 0 | 109.8 | T319 I321 | T198-T319 WeakPolarHBondContact CA-O 3.4Å; T198-I321 HydrophobicContact CG2-CD1 3.46Å; T198-I321 VanDerWaalsContact CG2-CD1 3.46Å; T198-I321 HydrophobicContact CG2-CG1 3.64Å |
| 199 | I | 92.5 | Very high | 79 | Confident | 4 Ų | 4 | 83.5 Ų | 83.5 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 132 | -165.1 | -56.7 | -174 | 0 | 0 | 0 | 109.6 | V197 I203 I209 L280 I282 L286 I318 T319 I320 I321 | V197-I199 HydrophobicContact CG1-CD1 3.97Å; V197-I199 HydrophobicContact CG1-CG1 3.86Å; I199-I203 HydrophobicContact CG2-CB 4.01Å; I199-I203 HydrophobicContact CG2-CD1 3.72Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 HydrophobicContact CG2-CG2 3.66Å; I199-I209 HydrophobicContact CD1-CD1 3.37Å; I199-I209 HydrophobicContact CG1-CD1 3.73Å; I199-L280 HydrophobicContact CD1-CD2 4.47Å; I199-I282 HydrophobicContact CD1-CD1 4.1Å; I199-L286 HydrophobicContact CB-CD1 4.46Å; I199-L286 HydrophobicContact CG2-CD1 3.58Å; I199-I318 HydrophobicContact CD1-CG2 3.49Å; I199-I318 VanDerWaalsContact CD1-CG2 3.49Å; I199-I318 HydrophobicContact CG1-CG2 3.99Å; I199-T319 PolarHBondContact N-O 2.95Å; I199-I320 HydrophobicContact CB-CD1 4.32Å; I199-I320 CarbonylContact O-C 3.53Å; I199-I320 VanDerWaalsContact O-CA 3.26Å; I199-I320 WeakPolarHBondContact O-CA 3.42Å; I199-I321 PolarHBondContact O-N 2.97Å |
| 200 | K | 93.6 | Very high | 81.2 | Confident | 107 Ų | 107 | 79.6 Ų | 79.6 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 139.2 | 167.3 | -67.5 | -179.6 | 164.8 | -139.7 | 0 | 110 | N202 I203 I321 M323 | K200-N202 VanDerWaalsContact C-N 3.26Å; K200-N202 PolarHBondContact O-N 3.04Å; K200-I203 VanDerWaalsContact O-CB 3.25Å; K200-I203 WeakPolarHBondContact O-CB 3.23Å; K200-I203 WeakPolarHBondContact O-CG2 3.29Å; K200-I203 PolarHBondContact O-N 3.07Å; K200-I203 VanDerWaalsContact O-N 3.07Å; K200-I321 HydrophobicContact CG-CB 4.23Å; K200-I321 HydrophobicContact CG-CG2 4.26Å; K200-M323 HydrophobicContact CB-CG 4.26Å; K200-M323 HydrophobicContact CB-SD 4.34Å; K200-M323 HydrophobicContact CD-SD 3.64Å; K200-M323 HydrophobicContact CG-SD 4.08Å; K200-M323 PolarHBondContact NZ-SD 2.88Å |
| 201 | E | 93.3 | Very high | 83.3 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -36.3 | -176.6 | 71.2 | -156.3 | 111.9 | 0 | 0 | 113.8 | I203 L286 Y288 I320 I321 D322 M323 | E201-I203 PolarHBondContact O-N 3.48Å; E201-L286 HydrophobicContact CB-CB 4.2Å; E201-Y288 VanDerWaalsContact OE2-CB 3.29Å; E201-Y288 WeakPolarHBondContact OE2-CB 3.32Å; E201-Y288 PolarHBondContact OE2-N 2.87Å; E201-I320 HydrophobicContact CB-CG2 3.73Å; E201-I321 PolarHBondContact N-O 3.19Å; E201-D322 WeakPolarHBondContact OE1-CA 3.48Å; E201-M323 HydrophobicContact CG-CB 4.29Å; E201-M323 HydrophobicContact CG-CG 4.36Å; E201-M323 PolarHBondContact OE1-N 3.1Å |
| 202 | N | 92 | Very high | 85.3 | Confident | 90 Ų | 90 | 62.1 Ų | 62.1 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 16.3 | 176.9 | 69.8 | 6.9 | 0 | 0 | 0 | 114.5 | K200 | K200-N202 VanDerWaalsContact C-N 3.26Å; K200-N202 PolarHBondContact O-N 3.04Å |
| 203 | I | 90.3 | Very high | 86.8 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 135.3 | 174.9 | -170.3 | 164.3 | 0 | 0 | 0 | 111.2 | I199 K200 E201 L205 T207 I209 I282 L286 | I199-I203 HydrophobicContact CG2-CB 4.01Å; I199-I203 HydrophobicContact CG2-CD1 3.72Å; I199-I203 HydrophobicContact CG2-CG1 4.48Å; I199-I203 HydrophobicContact CG2-CG2 3.66Å; K200-I203 VanDerWaalsContact O-CB 3.25Å; K200-I203 WeakPolarHBondContact O-CB 3.23Å; K200-I203 WeakPolarHBondContact O-CG2 3.29Å; K200-I203 PolarHBondContact O-N 3.07Å; K200-I203 VanDerWaalsContact O-N 3.07Å; E201-I203 PolarHBondContact O-N 3.48Å; I203-L205 PolarHBondContact O-N 2.9Å; I203-T207 HydrophobicContact CD1-CG2 3.75Å; I203-T207 HydrophobicContact CG1-CG2 4.01Å; I203-I209 HydrophobicContact CD1-CD1 4.04Å; I203-I282 HydrophobicContact CD1-CG1 4.19Å; I203-I282 HydrophobicContact CG2-CG1 4.07Å; I203-I282 HydrophobicContact CG2-CG2 4.17Å; I203-L286 HydrophobicContact CG2-CD1 3.79Å |
| 204 | P | 90.9 | Very high | 87.7 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 57% | 0.571 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 138.2 | 178.6 | -26.5 | 35.4 | 0 | 0 | 0 | 113.2 | G206 T207 | P204-G206 PolarHBondContact O-N 2.68Å; P204-T207 VanDerWaalsContact O-CB 3.3Å; P204-T207 WeakPolarHBondContact O-CB 3.18Å; P204-T207 PolarHBondContact O-N 3.28Å; P204-T207 VanDerWaalsContact O-N 3.1Å; P204-T207 PolarHBondContact O-OG1 2.67Å |
| 205 | L | 90.4 | Very high | 87.8 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 52% | 0.518 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 136.9 | 172.4 | -55 | -173.3 | 0 | 0 | 0 | 109.9 | I203 T207 I282 D284 K285 | I203-L205 PolarHBondContact O-N 2.9Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-I282 HydrophobicContact CD2-CG2 4.18Å; L205-D284 WeakPolarHBondContact CD2-O 3.33Å; L205-K285 HydrophobicContact CD2-CG 4.47Å |
| 206 | G | 86.1 | Confident | 87.6 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -5.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | P204 R208 I282 | P204-G206 PolarHBondContact O-N 2.68Å; G206-R208 PolarHBondContact O-N 2.99Å; G206-I282 PolarHBondContact N-O 3.26Å |
| 207 | T | 88.2 | Confident | 87.3 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | trans | -59.4 | 135 | 171.8 | -71.4 | 0 | 0 | 0 | 0 | 110.4 | I203 P204 L205 I281 I282 | I203-T207 HydrophobicContact CD1-CG2 3.75Å; I203-T207 HydrophobicContact CG1-CG2 4.01Å; P204-T207 VanDerWaalsContact O-CB 3.3Å; P204-T207 WeakPolarHBondContact O-CB 3.18Å; P204-T207 PolarHBondContact O-N 3.28Å; P204-T207 VanDerWaalsContact O-N 3.1Å; P204-T207 PolarHBondContact O-OG1 2.67Å; L205-T207 VanDerWaalsContact C-N 3.33Å; T207-I281 WeakPolarHBondContact O-CA 3.39Å; T207-I282 PolarHBondContact O-N 3.2Å | ||
| 208 | R | 88.9 | Confident | 86.9 | Confident | 123 Ų | 123 | 48 Ų | 48 | 46% | 0.464 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.5 | -178.5 | -53.8 | -175.6 | -171.7 | -169.9 | 10.4 | 109.6 | G206 V248 T249 C279 L280 I281 | G206-R208 PolarHBondContact O-N 2.99Å; R208-V248 HydrophobicContact CB-CG2 4.44Å; R208-V248 HydrophobicContact CG-CG2 3.86Å; R208-T249 PolarHBondContact NH1-O 3.05Å; R208-C279 HydrophobicContact CB-CB 4.03Å; R208-L280 CarbonylContact C-O 3.59Å; R208-L280 VanDerWaalsContact CA-O 3.32Å; R208-L280 WeakPolarHBondContact CA-O 3.45Å; R208-I281 HydrophobicContact CG-CD1 4.32Å; R208-I281 HydrophobicContact CG-CG1 4.42Å |
| 209 | I | 88.4 | Confident | 85.8 | Confident | 31 Ų | 31 | 46 Ų | 46 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.5 | 179.6 | -59 | 171.5 | 0 | 0 | 0 | 107.7 | V197 I199 I203 L211 C279 L280 I282 | V197-I209 HydrophobicContact CG1-CD1 4.29Å; V197-I209 HydrophobicContact CG1-CG2 3.93Å; I199-I209 HydrophobicContact CD1-CD1 3.37Å; I199-I209 HydrophobicContact CG1-CD1 3.73Å; I203-I209 HydrophobicContact CD1-CD1 4.04Å; I209-L211 PolarHBondContact O-N 2.93Å; I209-C279 CarbonylContact O-C 3.54Å; I209-C279 WeakPolarHBondContact O-CA 3.26Å; I209-L280 HydrophobicContact CB-CB 4.38Å; I209-L280 PolarHBondContact N-O 2.76Å; I209-L280 PolarHBondContact O-N 2.89Å; I209-I282 HydrophobicContact CD1-CD1 4.43Å |
| 210 | P | 87.7 | Confident | 84.5 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 136.3 | 176.5 | -25.4 | 35.4 | 0 | 0 | 0 | 112.2 | M115 | M115-P210 HydrophobicContact CE-CG 3.99Å |
| 211 | L | 87.4 | Confident | 83.2 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | trans | -109 | 158.9 | 170.3 | -57.5 | 179 | 0 | 0 | 0 | 108.8 | F195 V197 I209 K213 L230 L247 P278 L280 L298 I316 | F195-L211 HydrophobicContact CD1-CD2 4.45Å; F195-L211 HydrophobicContact CE1-CD2 4.1Å; V197-L211 HydrophobicContact CG2-CD2 4.24Å; I209-L211 PolarHBondContact O-N 2.93Å; L211-K213 PolarHBondContact O-N 3.47Å; L211-L230 HydrophobicContact CD1-CD2 4.4Å; L211-L247 HydrophobicContact CD1-CD1 4.1Å; L211-P278 HydrophobicContact CB-CG 4.21Å; L211-P278 PolarHBondContact N-O 2.84Å; L211-L280 HydrophobicContact CD1-CB 4.1Å; L211-L280 HydrophobicContact CD2-CB 4.12Å; L211-L280 HydrophobicContact CG-CB 4.15Å; L211-L298 HydrophobicContact CB-CD2 3.95Å; L211-L298 HydrophobicContact CD1-CD1 4.21Å; L211-L298 HydrophobicContact CD1-CD2 4.02Å; L211-I316 HydrophobicContact CD1-CD1 3.84Å; L211-I316 HydrophobicContact CD2-CD1 3.93Å; L211-I316 HydrophobicContact CG-CD1 4.44Å | ||
| 212 | M | 82.9 | Confident | 81.6 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -62 | 137.3 | 180 | -165 | 155.2 | 73.4 | 0 | 0 | 111.4 | F183 E185 F186 F195 L314 | F183-M212 HydrophobicContact CB-CE 3.75Å; F183-M212 HydrophobicContact CD1-CB 4.47Å; F183-M212 HydrophobicContact CD1-CE 4.4Å; F183-M212 WeakPolarHBondContact CE1-O 3.35Å; E185-M212 HydrophobicContact CB-CE 3.98Å; E185-M212 HydrophobicContact CB-SD 3.99Å; E185-M212 HydrophobicContact CG-CE 4.38Å; E185-M212 HydrophobicContact CG-SD 3.79Å; F186-M212 HydrophobicContact CD2-CE 3.6Å; F186-M212 HydrophobicContact CE2-CE 3.66Å; F195-M212 HydrophobicContact CE2-CB 4.41Å; M212-L314 HydrophobicContact CB-CD2 4.21Å |
| 213 | K | 82.4 | Confident | 80.2 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 140.2 | 173.3 | -158.8 | 177.5 | -178.3 | 177.2 | 0 | 108.9 | L211 Y215 Y228 D274 T277 | L211-K213 PolarHBondContact O-N 3.47Å; K213-Y215 HydrophobicContact CB-CE2 3.87Å; K213-Y215 HydrophobicContact CD-CE1 4.45Å; K213-Y215 HydrophobicContact CG-CE2 4.47Å; K213-Y215 WeakPolarHBondContact O-CD2 3.34Å; K213-Y215 WeakPolarHBondContact O-CE2 3.25Å; K213-Y228 WeakPolarHBondContact CG-OH 3.33Å; K213-D274 PolarHBondContact NZ-O 2.82Å; K213-D274 VanDerWaalsContact NZ-O 3.15Å; K213-T277 HydrophobicContact CB-CG2 4.44Å; K213-T277 HydrophobicContact CD-CG2 4.34Å |
| 214 | A | 81.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 148.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | P181 K182 F183 I226 Y228 A300 | P181-A214 HydrophobicContact CB-CB 4.09Å; K182-A214 WeakPolarHBondContact O-CA 3.34Å; F183-A214 HydrophobicContact CD1-CB 3.91Å; F183-A214 HydrophobicContact CE1-CB 3.64Å; F183-A214 HydrophobicContact CE2-CB 4.41Å; F183-A214 HydrophobicContact CG-CB 4.42Å; F183-A214 HydrophobicContact CZ-CB 3.92Å; A214-I226 HydrophobicContact CB-CG2 4.45Å; A214-I226 WeakPolarHBondContact O-CD1 3.42Å; A214-Y228 HydrophobicContact CB-CE1 4Å; A214-Y228 PolarHBondContact N-OH 2.88Å; A214-Y228 PolarHBondContact O-OH 2.78Å; A214-Y228 VanDerWaalsContact O-OH 3.06Å; A214-A300 HydrophobicContact CB-CB 3.51Å |
| 215 | Y | 78.3 | Confident | 77.9 | Confident | 81 Ų | 81 | 49 Ų | 49 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -126.3 | 139.4 | 179.7 | -61.8 | -101.3 | 0 | 0 | 0 | 108.1 | P181 K182 I184 K213 | P181-Y215 CarbonylContact C-O 3.58Å; P181-Y215 WeakPolarHBondContact CA-O 3.2Å; K182-Y215 PolarHBondContact N-O 2.91Å; K182-Y215 PolarHBondContact O-N 3.34Å; I184-Y215 HydrophobicContact CD1-CD1 4.34Å; I184-Y215 HydrophobicContact CD1-CD2 3.39Å; I184-Y215 HydrophobicContact CD1-CE2 3.75Å; I184-Y215 HydrophobicContact CD1-CG 3.73Å; I184-Y215 HydrophobicContact CG1-CD2 3.78Å; I184-Y215 HydrophobicContact CG1-CE2 4.34Å; I184-Y215 HydrophobicContact CG1-CG 4.36Å; K213-Y215 HydrophobicContact CB-CE2 3.87Å; K213-Y215 HydrophobicContact CD-CE1 4.45Å; K213-Y215 HydrophobicContact CG-CE2 4.47Å; K213-Y215 WeakPolarHBondContact O-CD2 3.34Å; K213-Y215 WeakPolarHBondContact O-CE2 3.25Å |
| 216 | D | 79 | Confident | 77.3 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | trans | -94.6 | 155.7 | 161.6 | -130.5 | -43.1 | 0 | 0 | 0 | 110.4 | N179 R180 P181 N223 | N179-D216 WeakPolarHBondContact CB-OD1 3.32Å; R180-D216 WeakPolarHBondContact CA-OD1 3.49Å; R180-D216 WeakPolarHBondContact CA-OD2 3.33Å; R180-D216 PolarHBondContact N-OD1 3.49Å; R180-D216 VanDerWaalsContact O-OD1 3.13Å; P181-D216 WeakPolarHBondContact CD-OD2 3.3Å; P181-D216 WeakPolarHBondContact CG-OD2 3.41Å; D216-N223 PolarHBondContact N-OD1 3.08Å; D216-N223 PolarHBondContact O-ND2 3.18Å; D216-N223 PolarHBondContact O-OD1 2.9Å | ||
| 217 | L | 79.7 | Confident | 77.1 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.293 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -87.6 | -25.7 | 178.4 | -58.9 | -176.8 | 0 | 0 | 0 | 112.1 | E99 K104 L106 N179 K182 | E99-L217 HydrophobicContact CG-CB 3.57Å; K104-L217 WeakPolarHBondContact CD-O 3.12Å; K104-L217 PolarHBondContact NZ-O 3.16Å; L106-L217 HydrophobicContact CD2-CD2 3.91Å; N179-L217 HydrophobicContact CB-CB 4.21Å; K182-L217 HydrophobicContact CD-CD1 4.46Å; K182-L217 HydrophobicContact CD-CG 4.49Å |
| 218 | D | 79.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -61.4 | -168.5 | 173.1 | -45.3 | -29.4 | 0 | 0 | 0 | 112.4 | K104 N177 N179 T222 N223 | K104-D218 WeakPolarHBondContact CD-O 3.33Å; K104-D218 WeakPolarHBondContact CE-O 3.43Å; K104-D218 PolarHBondContact NZ-O 2.78Å; N177-D218 WeakPolarHBondContact CA-OD2 3.34Å; N179-D218 WeakPolarHBondContact CB-OD1 3.46Å; N179-D218 PolarHBondContact N-OD1 2.89Å; N179-D218 PolarHBondContact N-OD2 2.65Å; N179-D218 PolarHBondContact ND2-OD1 3.17Å; D218-T222 HydrophobicContact CB-CG2 4.07Å; D218-N223 PolarHBondContact O-ND2 3.44Å |
| 219 | T | 70.3 | Confident | 77 | Confident | 43 Ų | 43 | 41.9 Ų | 41.9 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | trans | -51.4 | 160.5 | -172.8 | 24.3 | 0 | 0 | 0 | 0 | 115.3 | D175 E221 T222 N223 | D175-T219 HydrophobicContact CB-CG2 3.8Å; D175-T219 VanDerWaalsContact CG-CG2 3.48Å; D175-T219 VanDerWaalsContact CG-N 3.28Å; D175-T219 PolarHBondContact OD1-N 2.88Å; D175-T219 VanDerWaalsContact OD2-CB 3.26Å; D175-T219 WeakPolarHBondContact OD2-CB 3.39Å; D175-T219 WeakPolarHBondContact OD2-CG2 3.46Å; D175-T219 PolarHBondContact OD2-N 2.92Å; D175-T219 PolarHBondContact OD2-OG1 2.91Å; T219-E221 PolarHBondContact O-N 2.81Å; T219-E221 VanDerWaalsContact O-N 3.16Å; T219-T222 PolarHBondContact O-N 2.9Å; T219-T222 PolarHBondContact O-OG1 2.76Å; T219-N223 PolarHBondContact O-N 3.03Å; T219-N223 PolarHBondContact O-ND2 3.09Å; T219-N223 VanDerWaalsContact O-ND2 3.11Å | ||
| 220 | I | 64 | Low | 77.1 | Confident | 118 Ų | 118 | 41 Ų | 41 | 61% | 0.605 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -57.4 | -28.8 | 170.3 | -63.5 | 172.8 | 0 | 0 | 0 | 110.7 | N223 T224 | I220-N223 WeakPolarHBondContact O-CB 3.36Å; I220-N223 PolarHBondContact O-N 3.49Å; I220-T224 HydrophobicContact CG2-CG2 4.48Å; I220-T224 WeakPolarHBondContact O-CG2 3.43Å; I220-T224 PolarHBondContact O-N 2.88Å; I220-T224 PolarHBondContact O-OG1 2.82Å |
| 221 | E | 65.9 | Low | 77.1 | Confident | 135 Ų | 135 | 41.2 Ų | 41.2 | 63% | 0.631 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -65.9 | -47 | 178.4 | -59.4 | -165.9 | -176.4 | 0 | 0 | 112.5 | T219 N223 T224 N225 | T219-E221 PolarHBondContact O-N 2.81Å; T219-E221 VanDerWaalsContact O-N 3.16Å; E221-N223 VanDerWaalsContact C-N 3.32Å; E221-N223 PolarHBondContact O-N 2.82Å; E221-T224 PolarHBondContact O-N 2.85Å; E221-T224 VanDerWaalsContact O-N 3.16Å; E221-T224 PolarHBondContact O-OG1 2.92Å; E221-N225 VanDerWaalsContact O-CG 3.24Å; E221-N225 PolarHBondContact O-N 3.38Å; E221-N225 PolarHBondContact O-ND2 2.92Å |
| 222 | T | 61 | Low | 77 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.8 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | N177 D218 T219 T224 N225 I226 | N177-T222 HydrophobicContact CB-CG2 4.48Å; D218-T222 HydrophobicContact CB-CG2 4.07Å; T219-T222 PolarHBondContact O-N 2.9Å; T219-T222 PolarHBondContact O-OG1 2.76Å; T222-T224 VanDerWaalsContact C-N 3.31Å; T222-T224 PolarHBondContact O-N 2.8Å; T222-N225 WeakPolarHBondContact O-CA 3.29Å; T222-N225 WeakPolarHBondContact O-CB 3.38Å; T222-N225 PolarHBondContact O-N 2.82Å; T222-I226 PolarHBondContact O-N 3.34Å |
| 223 | N | 61.8 | Low | 76.6 | Confident | 35 Ų | 35 | 43 Ų | 43 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.6 | -37.7 | 174.3 | -85.5 | -84 | 0 | 0 | 0 | 113.1 | D216 D218 T219 I220 E221 N225 | D216-N223 PolarHBondContact N-OD1 3.08Å; D216-N223 PolarHBondContact O-ND2 3.18Å; D216-N223 PolarHBondContact O-OD1 2.9Å; D218-N223 PolarHBondContact O-ND2 3.44Å; T219-N223 PolarHBondContact O-N 3.03Å; T219-N223 PolarHBondContact O-ND2 3.09Å; T219-N223 VanDerWaalsContact O-ND2 3.11Å; I220-N223 WeakPolarHBondContact O-CB 3.36Å; I220-N223 PolarHBondContact O-N 3.49Å; E221-N223 VanDerWaalsContact C-N 3.32Å; E221-N223 PolarHBondContact O-N 2.82Å; N223-N225 VanDerWaalsContact C-N 3.28Å; N223-N225 PolarHBondContact O-N 2.85Å |
| 224 | T | 62.5 | Low | 75.9 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 22% | 0.221 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.4 | -14 | 173.5 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | I220 E221 T222 | I220-T224 HydrophobicContact CG2-CG2 4.48Å; I220-T224 WeakPolarHBondContact O-CG2 3.43Å; I220-T224 PolarHBondContact O-N 2.88Å; I220-T224 PolarHBondContact O-OG1 2.82Å; E221-T224 PolarHBondContact O-N 2.85Å; E221-T224 VanDerWaalsContact O-N 3.16Å; E221-T224 PolarHBondContact O-OG1 2.92Å; T222-T224 VanDerWaalsContact C-N 3.31Å; T222-T224 PolarHBondContact O-N 2.8Å |
| 225 | N | 70.3 | Confident | 75.1 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -0.3 | -179.1 | -72.6 | -18.7 | 0 | 0 | 0 | 113.6 | E221 T222 N223 L227 E302 S303 | E221-N225 VanDerWaalsContact O-CG 3.24Å; E221-N225 PolarHBondContact O-N 3.38Å; E221-N225 PolarHBondContact O-ND2 2.92Å; T222-N225 WeakPolarHBondContact O-CA 3.29Å; T222-N225 WeakPolarHBondContact O-CB 3.38Å; T222-N225 PolarHBondContact O-N 2.82Å; N223-N225 VanDerWaalsContact C-N 3.28Å; N223-N225 PolarHBondContact O-N 2.85Å; N225-L227 PolarHBondContact O-N 2.74Å; N225-E302 HydrophobicContact CB-CG 4.04Å; N225-S303 WeakPolarHBondContact CB-OG 3.3Å; N225-S303 WeakPolarHBondContact O-CB 3.24Å; N225-S303 PolarHBondContact O-N 3.34Å |
| 226 | I | 78.5 | Confident | 74.8 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 120.6 | 178.5 | -58.7 | 176.5 | 0 | 0 | 0 | 110.4 | P181 A214 T222 Y228 G271 A300 | P181-I226 HydrophobicContact CB-CD1 4.28Å; P181-I226 HydrophobicContact CG-CD1 4.32Å; P181-I226 HydrophobicContact CG-CG1 4.19Å; A214-I226 HydrophobicContact CB-CG2 4.45Å; A214-I226 WeakPolarHBondContact O-CD1 3.42Å; T222-I226 PolarHBondContact O-N 3.34Å; I226-Y228 HydrophobicContact CB-CE2 4.22Å; I226-Y228 HydrophobicContact CG2-CD2 4.27Å; I226-Y228 HydrophobicContact CG2-CE1 4.23Å; I226-Y228 HydrophobicContact CG2-CE2 3.67Å; I226-G271 PolarHBondContact O-N 2.81Å; I226-A300 HydrophobicContact CG2-CB 3.84Å |
| 227 | L | 81.8 | Confident | 74.2 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124 | 172.9 | -64.2 | -178.4 | 0 | 0 | 0 | 110.9 | N225 I269 H270 A300 C301 | N225-L227 PolarHBondContact O-N 2.74Å; L227-I269 CarbonylContact C-O 3.18Å; L227-I269 VanDerWaalsContact CA-O 3.3Å; L227-I269 WeakPolarHBondContact CA-O 3.31Å; L227-H270 HydrophobicContact CD2-CB 4.28Å; L227-H270 VanDerWaalsContact CD2-ND1 3.33Å; L227-H270 WeakPolarHBondContact CD2-ND1 3.29Å; L227-A300 WeakPolarHBondContact O-CA 3.49Å; L227-C301 WeakPolarHBondContact CA-O 3.39Å; L227-C301 WeakPolarHBondContact CB-O 3.43Å; L227-C301 PolarHBondContact N-O 2.9Å; L227-C301 PolarHBondContact O-N 2.96Å |
| 228 | Y | 87.6 | Confident | 73.8 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.5 | 174 | -61.9 | -91 | 0 | 0 | 0 | 112 | F183 K213 A214 I226 L247 I269 P278 L298 I299 A300 | F183-Y228 HydrophobicContact CE1-CE1 4.41Å; K213-Y228 WeakPolarHBondContact CG-OH 3.33Å; A214-Y228 HydrophobicContact CB-CE1 4Å; A214-Y228 PolarHBondContact N-OH 2.88Å; A214-Y228 PolarHBondContact O-OH 2.78Å; A214-Y228 VanDerWaalsContact O-OH 3.06Å; I226-Y228 HydrophobicContact CB-CE2 4.22Å; I226-Y228 HydrophobicContact CG2-CD2 4.27Å; I226-Y228 HydrophobicContact CG2-CE1 4.23Å; I226-Y228 HydrophobicContact CG2-CE2 3.67Å; Y228-L247 WeakPolarHBondContact O-CD2 3.43Å; Y228-I269 PolarHBondContact N-O 2.94Å; Y228-I269 PolarHBondContact O-N 3.35Å; Y228-P278 HydrophobicContact CD1-CB 3.99Å; Y228-P278 HydrophobicContact CD1-CG 3.93Å; Y228-P278 HydrophobicContact CD2-CB 4.44Å; Y228-P278 HydrophobicContact CE1-CB 4.39Å; Y228-P278 HydrophobicContact CE1-CG 3.86Å; Y228-P278 HydrophobicContact CG-CB 4.01Å; Y228-P278 HydrophobicContact CG-CG 4.36Å; Y228-L298 HydrophobicContact CD1-CD1 4.14Å; Y228-L298 HydrophobicContact CD1-CD2 4.14Å; Y228-L298 HydrophobicContact CD1-CG 4.27Å; Y228-I299 WeakPolarHBondContact CA-O 3.28Å; Y228-A300 HydrophobicContact CD1-CB 3.88Å; Y228-A300 HydrophobicContact CE1-CB 3.77Å |
| 229 | K | 87.3 | Confident | 73.8 | Confident | 122 Ų | 122 | 71.5 Ų | 71.5 | 53% | 0.53 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 142.3 | 175.7 | 175.1 | -177.1 | 173 | -162.1 | 0 | 110.5 | I299 | K229-I299 PolarHBondContact N-O 3.16Å; K229-I299 PolarHBondContact O-N 2.86Å |
| 230 | L | 89.4 | Confident | 74.5 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 140.2 | 165.6 | -66 | 175.8 | 0 | 0 | 0 | 111.7 | L211 Y232 G246 L247 L280 I296 E297 L298 | L211-L230 HydrophobicContact CD1-CD2 4.4Å; L230-Y232 HydrophobicContact CB-CE1 3.87Å; L230-Y232 HydrophobicContact CD1-CE1 4.26Å; L230-Y232 WeakPolarHBondContact CD1-OH 3.18Å; L230-G246 WeakPolarHBondContact CD1-O 3.3Å; L230-L247 HydrophobicContact CD1-CB 4.07Å; L230-L247 HydrophobicContact CD1-CD1 4.28Å; L230-L247 HydrophobicContact CD2-CD1 4.17Å; L230-L247 HydrophobicContact CG-CB 4.08Å; L230-L247 HydrophobicContact CG-CD1 3.99Å; L230-L247 HydrophobicContact CG-CG 4.42Å; L230-L280 HydrophobicContact CD1-CD1 3.78Å; L230-I296 HydrophobicContact CD1-CD1 4.4Å; L230-I296 HydrophobicContact CD2-CD1 4Å; L230-E297 CarbonylContact C-O 3.56Å; L230-E297 WeakPolarHBondContact CA-O 2.82Å; L230-L298 HydrophobicContact CD2-CB 4.26Å; L230-L298 HydrophobicContact CD2-CD1 3.97Å |
| 231 | N | 88 | Confident | 75.6 | Confident | 54 Ų | 54 | 68.8 Ų | 68.8 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.9 | 169.8 | -173.8 | 55.7 | 0 | 0 | 0 | 109.8 | E297 I299 | N231-E297 HydrophobicContact CB-CB 4.13Å; N231-E297 PolarHBondContact N-O 3.32Å; N231-E297 PolarHBondContact ND2-OE2 3.02Å; N231-E297 PolarHBondContact O-N 2.92Å; N231-I299 HydrophobicContact CB-CD1 3.65Å; N231-I299 HydrophobicContact CB-CG1 4.12Å |
| 232 | Y | 85.5 | Confident | 76.5 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | trans | -127.3 | 145.6 | -169.7 | -57.6 | -45 | 0 | 0 | 0 | 111.1 | L230 I234 Y241 H242 F245 I296 | L230-Y232 HydrophobicContact CB-CE1 3.87Å; L230-Y232 HydrophobicContact CD1-CE1 4.26Å; L230-Y232 WeakPolarHBondContact CD1-OH 3.18Å; Y232-I234 PolarHBondContact O-N 3.27Å; Y232-Y241 AromaticContact CD1-CD1 3.95Å; Y232-Y241 HydrophobicContact CD1-CD1 3.95Å; Y232-Y241 HydrophobicContact CD1-CG 4.01Å; Y232-Y241 VanDerWaalsContact CD2-CB 3.47Å; Y232-Y241 HydrophobicContact CD2-CG 4.47Å; Y232-Y241 HydrophobicContact CE1-CD1 4.48Å; Y232-Y241 HydrophobicContact CG-CD1 4.32Å; Y232-Y241 AromaticContact CG-CG 3.91Å; Y232-Y241 HydrophobicContact CG-CG 3.91Å; Y232-H242 AromaticContact CD2-CD2 3.76Å; Y232-H242 AromaticContact CD2-CE1 3.81Å; Y232-H242 AromaticContact CD2-NE2 3.61Å; Y232-H242 HydrophobicContact CE2-CB 4.43Å; Y232-H242 AromaticContact CE2-CD2 3.94Å; Y232-H242 AromaticContact CE2-CE1 3.68Å; Y232-H242 AromaticContact CE2-CG 3.74Å; Y232-H242 AromaticContact CE2-ND1 3.59Å; Y232-H242 AromaticContact CE2-NE2 3.92Å; Y232-F245 PolarHBondContact OH-O 2.82Å; Y232-F245 VanDerWaalsContact OH-O 3.07Å; Y232-I296 HydrophobicContact CD1-CB 3.92Å; Y232-I296 HydrophobicContact CD1-CG2 3.6Å; Y232-I296 HydrophobicContact CE1-CB 4.12Å; Y232-I296 HydrophobicContact CE1-CG2 3.8Å | ||
| 233 | P | 75.8 | Confident | 77.7 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 31% | 0.312 | 36% | 0.361 | S | S | . | . | trans | -72.7 | 112.9 | -169.5 | 28.1 | -35.6 | 0 | 0 | 0 | 112.3 | K235 D236 Y241 S295 | P233-K235 PolarHBondContact O-N 3.23Å; P233-D236 HydrophobicContact CG-CB 4.35Å; P233-D236 PolarHBondContact O-N 2.83Å; P233-Y241 HydrophobicContact CG-CE1 4.3Å; P233-Y241 HydrophobicContact CG-CE2 3.91Å; P233-S295 WeakPolarHBondContact CD-O 3.38Å; P233-S295 WeakPolarHBondContact CG-O 3.5Å | ||
| 234 | I | 67.2 | Low | 79 | Confident | 153 Ų | 153 | 73.8 Ų | 73.8 | 79% | 0.785 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -14.5 | 179.4 | -56.1 | 170.1 | 0 | 0 | 0 | 113.4 | Y232 | Y232-I234 PolarHBondContact O-N 3.27Š|
| 235 | K | 64.6 | Low | 80.5 | Confident | 207 Ų | 207 | 72.1 Ų | 72.1 | 90% | 0.9 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -14.3 | 179.2 | -65 | -177.6 | -179.5 | 176.1 | 0 | 114.2 | P233 | P233-K235 PolarHBondContact O-N 3.23Š|
| 236 | D | 71.6 | Confident | 81.4 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | trans | -107.3 | 71.1 | -172.9 | -172.9 | -12.9 | 0 | 0 | 0 | 111.1 | P233 Q238 T239 Y241 K291 | P233-D236 HydrophobicContact CG-CB 4.35Å; P233-D236 PolarHBondContact O-N 2.83Å; D236-Q238 PolarHBondContact O-N 2.98Å; D236-Q238 VanDerWaalsContact O-N 3.14Å; D236-T239 PolarHBondContact O-N 3.02Å; D236-T239 VanDerWaalsContact OD1-CB 3.31Å; D236-T239 WeakPolarHBondContact OD1-CB 3.49Å; D236-T239 PolarHBondContact OD1-N 3.07Å; D236-T239 PolarHBondContact OD1-OG1 2.67Å; D236-T239 PolarHBondContact OD2-OG1 2.91Å; D236-Y241 HydrophobicContact CB-CE2 3.91Å; D236-Y241 PolarHBondContact OD2-OH 2.82Å; D236-K291 IonicContact OD1-NZ 3.09Å; D236-K291 IonicContact OD2-NZ 2.68Å; D236-K291 PolarHBondContact OD2-NZ 3.1Å | ||
| 237 | N | 65.9 | Low | 81.9 | Confident | 156 Ų | 156 | 70.3 Ų | 70.3 | 83% | 0.834 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -2.3 | -178.9 | -73.9 | -20.1 | 0 | 0 | 0 | 114.5 | ||
| 238 | Q | 72.2 | Confident | 82.2 | Confident | 193 Ų | 193 | 69.8 Ų | 69.8 | 90% | 0.902 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -16.8 | 178.2 | -72 | -179.6 | -37 | 0 | 0 | 112.6 | D236 | D236-Q238 PolarHBondContact O-N 2.98Å; D236-Q238 VanDerWaalsContact O-N 3.14Å |
| 239 | T | 78.6 | Confident | 81.7 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | trans | -114 | 115.7 | -168.5 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | D236 Y241 I244 K291 Y294 | D236-T239 PolarHBondContact O-N 3.02Å; D236-T239 VanDerWaalsContact OD1-CB 3.31Å; D236-T239 WeakPolarHBondContact OD1-CB 3.49Å; D236-T239 PolarHBondContact OD1-N 3.07Å; D236-T239 PolarHBondContact OD1-OG1 2.67Å; D236-T239 PolarHBondContact OD2-OG1 2.91Å; T239-Y241 VanDerWaalsContact C-N 3.3Å; T239-Y241 HydrophobicContact CG2-CD2 3.81Å; T239-Y241 HydrophobicContact CG2-CE1 4.43Å; T239-Y241 HydrophobicContact CG2-CE2 3.65Å; T239-Y241 HydrophobicContact CG2-CG 4.23Å; T239-Y241 VanDerWaalsContact O-CD2 3.22Å; T239-Y241 WeakPolarHBondContact O-CD2 3.44Å; T239-Y241 PolarHBondContact O-N 2.68Å; T239-I244 HydrophobicContact CG2-CD1 3.87Å; T239-K291 PolarHBondContact OG1-NZ 2.62Å; T239-Y294 HydrophobicContact CG2-CD1 3.96Å; T239-Y294 HydrophobicContact CG2-CE1 3.69Å | ||
| 240 | D | 84.6 | Confident | 81.1 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | trans | -80.1 | 78.4 | 172.3 | -172.1 | -7.3 | 0 | 0 | 0 | 110.7 | H242 R243 I244 | D240-H242 PolarHBondContact O-N 2.89Å; D240-H242 PolarHBondContact OD1-N 3.09Å; D240-R243 HydrophobicContact CB-CB 3.97Å; D240-R243 WeakPolarHBondContact O-CB 3.47Å; D240-R243 PolarHBondContact O-N 2.99Å; D240-R243 PolarHBondContact OD1-N 2.92Å; D240-R243 VanDerWaalsContact OD1-N 3.1Å; D240-R243 WeakPolarHBondContact OD2-CB 3.34Å; D240-I244 WeakPolarHBondContact O-CG1 3.42Å; D240-I244 PolarHBondContact O-N 3.33Å; D240-I244 VanDerWaalsContact O-N 3.15Å | ||
| 241 | Y | 87.9 | Confident | 79.7 | Confident | 12 Ų | 12 | 68 Ų | 68 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.2 | -31.9 | 177.7 | -72.5 | -96.1 | 0 | 0 | 0 | 113.1 | Y232 P233 D236 T239 R243 I244 F245 Y294 S295 I296 | Y232-Y241 AromaticContact CD1-CD1 3.95Å; Y232-Y241 HydrophobicContact CD1-CD1 3.95Å; Y232-Y241 HydrophobicContact CD1-CG 4.01Å; Y232-Y241 VanDerWaalsContact CD2-CB 3.47Å; Y232-Y241 HydrophobicContact CD2-CG 4.47Å; Y232-Y241 HydrophobicContact CE1-CD1 4.48Å; Y232-Y241 HydrophobicContact CG-CD1 4.32Å; Y232-Y241 AromaticContact CG-CG 3.91Å; Y232-Y241 HydrophobicContact CG-CG 3.91Å; P233-Y241 HydrophobicContact CG-CE1 4.3Å; P233-Y241 HydrophobicContact CG-CE2 3.91Å; D236-Y241 HydrophobicContact CB-CE2 3.91Å; D236-Y241 PolarHBondContact OD2-OH 2.82Å; T239-Y241 VanDerWaalsContact C-N 3.3Å; T239-Y241 HydrophobicContact CG2-CD2 3.81Å; T239-Y241 HydrophobicContact CG2-CE1 4.43Å; T239-Y241 HydrophobicContact CG2-CE2 3.65Å; T239-Y241 HydrophobicContact CG2-CG 4.23Å; T239-Y241 VanDerWaalsContact O-CD2 3.22Å; T239-Y241 WeakPolarHBondContact O-CD2 3.44Å; T239-Y241 PolarHBondContact O-N 2.68Å; Y241-R243 VanDerWaalsContact C-N 3.29Å; Y241-R243 PolarHBondContact O-N 2.72Å; Y241-I244 PolarHBondContact O-N 2.87Å; Y241-F245 HydrophobicContact CD1-CD2 4.25Å; Y241-F245 HydrophobicContact CD1-CE2 4.47Å; Y241-F245 PolarHBondContact O-N 2.76Å; Y241-Y294 HydrophobicContact CD1-CD1 4.43Å; Y241-Y294 AromaticContact CE1-CD1 3.93Å; Y241-Y294 HydrophobicContact CE1-CD1 3.93Å; Y241-S295 WeakPolarHBondContact CE1-O 3.05Å; Y241-I296 HydrophobicContact CD1-CG2 3.55Å; Y241-I296 HydrophobicContact CE1-CG2 3.71Å |
| 242 | H | 84.1 | Confident | 77.6 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.1 | -28 | 177.7 | -75.5 | -79.6 | 0 | 0 | 0 | 112.8 | Y232 D240 D266 K283 | Y232-H242 AromaticContact CD2-CD2 3.76Å; Y232-H242 AromaticContact CD2-CE1 3.81Å; Y232-H242 AromaticContact CD2-NE2 3.61Å; Y232-H242 HydrophobicContact CE2-CB 4.43Å; Y232-H242 AromaticContact CE2-CD2 3.94Å; Y232-H242 AromaticContact CE2-CE1 3.68Å; Y232-H242 AromaticContact CE2-CG 3.74Å; Y232-H242 AromaticContact CE2-ND1 3.59Å; Y232-H242 AromaticContact CE2-NE2 3.92Å; D240-H242 PolarHBondContact O-N 2.89Å; D240-H242 PolarHBondContact OD1-N 3.09Å; H242-D266 IonicContact CE1-OD2 3.51Å; H242-D266 IonicContact CG-OD2 3.51Å; H242-D266 IonicContact ND1-OD2 2.7Å; H242-D266 PolarHBondContact ND1-OD2 3.04Å; H242-K283 VanDerWaalsContact O-CD 3.31Å; H242-K283 WeakPolarHBondContact O-CD 3.47Å; H242-K283 PolarHBondContact O-NZ 3.05Å |
| 243 | R | 86.7 | Confident | 75.5 | Confident | 157 Ų | 157 | 76.8 Ų | 76.8 | 59% | 0.592 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -80.6 | -34.5 | 174.1 | 176.3 | 177 | 167.7 | -160.6 | -14 | 112.6 | D240 Y241 K283 D284 | D240-R243 HydrophobicContact CB-CB 3.97Å; D240-R243 WeakPolarHBondContact O-CB 3.47Å; D240-R243 PolarHBondContact O-N 2.99Å; D240-R243 PolarHBondContact OD1-N 2.92Å; D240-R243 VanDerWaalsContact OD1-N 3.1Å; D240-R243 WeakPolarHBondContact OD2-CB 3.34Å; Y241-R243 VanDerWaalsContact C-N 3.29Å; Y241-R243 PolarHBondContact O-N 2.72Å; R243-K283 WeakPolarHBondContact O-CB 3.32Å; R243-D284 HydrophobicContact CG-CB 4.33Å; R243-D284 IonicContact CZ-OD2 3.31Å; R243-D284 IonicContact NE-OD2 3.76Å; R243-D284 PolarHBondContact NE-OD2 3.43Å; R243-D284 IonicContact NH2-OD2 2.7Å; R243-D284 PolarHBondContact NH2-OD2 3.34Å |
| 244 | I | 89.8 | Confident | 73.5 | Confident | 22 Ų | 22 | 83.7 Ų | 83.7 | 11% | 0.113 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -83.6 | -43.4 | -177.1 | -59 | 168.8 | 0 | 0 | 0 | 111.9 | T239 D240 Y241 K283 L286 Y294 | T239-I244 HydrophobicContact CG2-CD1 3.87Å; D240-I244 WeakPolarHBondContact O-CG1 3.42Å; D240-I244 PolarHBondContact O-N 3.33Å; D240-I244 VanDerWaalsContact O-N 3.15Å; Y241-I244 PolarHBondContact O-N 2.87Å; I244-K283 PolarHBondContact O-N 3.12Å; I244-L286 HydrophobicContact CG2-CD2 3.47Å; I244-L286 VanDerWaalsContact CG2-CD2 3.47Å; I244-Y294 HydrophobicContact CD1-CE1 3.66Å |
| 245 | F | 92.3 | Very high | 71.7 | Confident | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.7 | -173.6 | -58.7 | -66.1 | 0 | 0 | 0 | 112.6 | Y232 Y241 L280 I281 I282 K283 L286 Y294 I318 | Y232-F245 PolarHBondContact OH-O 2.82Å; Y232-F245 VanDerWaalsContact OH-O 3.07Å; Y241-F245 HydrophobicContact CD1-CD2 4.25Å; Y241-F245 HydrophobicContact CD1-CE2 4.47Å; Y241-F245 PolarHBondContact O-N 2.76Å; F245-L280 HydrophobicContact CB-CD1 3.95Å; F245-L280 HydrophobicContact CD1-CD1 4.01Å; F245-L280 HydrophobicContact CD1-CD2 4.12Å; F245-L280 HydrophobicContact CD1-CG 4.21Å; F245-L280 HydrophobicContact CE1-CD2 4.37Å; F245-L280 HydrophobicContact CG-CD1 4.19Å; F245-I281 WeakPolarHBondContact CA-O 3.18Å; F245-I282 HydrophobicContact CD1-CD1 3.93Å; F245-I282 HydrophobicContact CE1-CD1 3.8Å; F245-K283 WeakPolarHBondContact O-CD 3.08Å; F245-K283 WeakPolarHBondContact O-CE 3.44Å; F245-K283 PolarHBondContact O-NZ 2.81Å; F245-L286 HydrophobicContact CE1-CD2 4.22Å; F245-L286 HydrophobicContact CZ-CD2 3.99Å; F245-Y294 AromaticContact CE2-CD1 3.74Å; F245-Y294 HydrophobicContact CE2-CD1 3.74Å; F245-Y294 HydrophobicContact CE2-CD2 4.13Å; F245-Y294 HydrophobicContact CE2-CE1 4.24Å; F245-Y294 AromaticContact CE2-CG 3.67Å; F245-Y294 HydrophobicContact CE2-CG 3.67Å; F245-Y294 HydrophobicContact CZ-CD1 4.34Å; F245-Y294 AromaticContact CZ-CD2 3.91Å; F245-Y294 HydrophobicContact CZ-CD2 3.91Å; F245-Y294 HydrophobicContact CZ-CE2 4.31Å; F245-Y294 AromaticContact CZ-CG 3.93Å; F245-Y294 HydrophobicContact CZ-CG 3.93Å; F245-I318 HydrophobicContact CD1-CD1 4.11Å; F245-I318 HydrophobicContact CD2-CD1 4.4Å; F245-I318 HydrophobicContact CE1-CD1 3.64Å; F245-I318 HydrophobicContact CE2-CD1 3.96Å; F245-I318 HydrophobicContact CG-CD1 4.48Å; F245-I318 HydrophobicContact CZ-CD1 3.55Å; F245-I318 HydrophobicContact CZ-CG2 4.35Å |
| 246 | G | 89.8 | Confident | 70.2 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | -176.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L230 I281 | L230-G246 WeakPolarHBondContact CD1-O 3.3Å; G246-I281 PolarHBondContact N-O 3.48Å; G246-I281 PolarHBondContact O-N 2.78Å |
| 247 | L | 90.1 | Very high | 68.3 | Low | 21 Ų | 21 | 89.8 Ų | 89.8 | 11% | 0.11 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138.8 | 176.3 | -161.6 | 68.5 | 0 | 0 | 0 | 109.8 | L211 Y228 L230 I269 P278 C279 L298 | L211-L247 HydrophobicContact CD1-CD1 4.1Å; Y228-L247 WeakPolarHBondContact O-CD2 3.43Å; L230-L247 HydrophobicContact CD1-CB 4.07Å; L230-L247 HydrophobicContact CD1-CD1 4.28Å; L230-L247 HydrophobicContact CD2-CD1 4.17Å; L230-L247 HydrophobicContact CG-CB 4.08Å; L230-L247 HydrophobicContact CG-CD1 3.99Å; L230-L247 HydrophobicContact CG-CG 4.42Å; L247-I269 HydrophobicContact CB-CD1 4.21Å; L247-I269 HydrophobicContact CD2-CD1 4.19Å; L247-I269 HydrophobicContact CD2-CG1 4.28Å; L247-I269 HydrophobicContact CG-CD1 3.85Å; L247-I269 HydrophobicContact CG-CG1 4.46Å; L247-P278 HydrophobicContact CD1-CB 4.38Å; L247-C279 WeakPolarHBondContact CA-O 3.09Å; L247-L298 HydrophobicContact CD1-CD1 3.93Å; L247-L298 HydrophobicContact CD2-CD1 4.18Å |
| 248 | V | 86.4 | Confident | 66.8 | Low | 23 Ų | 23 | 89 Ų | 89 | 14% | 0.139 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 170.5 | 173.6 | -64.7 | 0 | 0 | 0 | 0 | 110 | R208 C279 I281 | R208-V248 HydrophobicContact CB-CG2 4.44Å; R208-V248 HydrophobicContact CG-CG2 3.86Å; V248-C279 HydrophobicContact CG2-CB 3.69Å; V248-C279 PolarHBondContact N-O 2.92Å; V248-C279 WeakPolarHBondContact O-CA 3.36Å; V248-C279 WeakPolarHBondContact O-CB 3.45Å; V248-C279 PolarHBondContact O-N 2.72Å; V248-I281 HydrophobicContact CG1-CB 4.19Å; V248-I281 HydrophobicContact CG1-CD1 4.02Å; V248-I281 HydrophobicContact CG1-CG2 3.82Å; V248-I281 HydrophobicContact CG2-CB 3.95Å; V248-I281 HydrophobicContact CG2-CD1 4.35Å; V248-I281 HydrophobicContact CG2-CG2 4.4Å |
| 249 | T | 78.5 | Confident | 64.9 | Low | 39 Ų | 39 | 86.9 Ų | 86.9 | 24% | 0.239 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 144.5 | 166 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | R208 S251 I269 H276 | R208-T249 PolarHBondContact NH1-O 3.05Å; T249-S251 PolarHBondContact O-N 2.77Å; T249-I269 HydrophobicContact CG2-CG2 3.43Å; T249-I269 VanDerWaalsContact CG2-CG2 3.43Å; T249-H276 HydrophobicContact CG2-CB 4.3Å |
| 250 | C | 74 | Confident | 62.9 | Low | 20 Ų | 20 | 92.2 Ų | 92.2 | 14% | 0.135 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 75.9 | 161.3 | -38.4 | 0 | 0 | 0 | 0 | 109.2 | T277 P278 C279 | C250-T277 VanDerWaalsContact CB-OG1 3.28Å; C250-T277 WeakPolarHBondContact CB-OG1 3.44Å; C250-T277 PolarHBondContact N-O 2.79Å; C250-T277 PolarHBondContact SG-O 2.98Å; C250-T277 VanDerWaalsContact SG-O 3.41Å; C250-T277 PolarHBondContact SG-OG1 2.94Å; C250-T277 VanDerWaalsContact SG-OG1 3.37Å; C250-P278 VanDerWaalsContact SG-C 3.56Å; C250-P278 PolarHBondContact SG-O 3.3Å; C250-P278 VanDerWaalsContact SG-O 3.42Å; C250-C279 HydrophobicContact CB-CB 4.2Å; C250-C279 WeakPolarHBondContact CB-SG 3.36Å; C250-C279 VanDerWaalsContact SG-CA 3.55Å; C250-C279 WeakPolarHBondContact SG-CB 3.26Å; C250-C279 CovalentContact SG-SG 2.03Å; C250-C279 PolarHBondContact SG-SG 2.89Å |
| 251 | S | 59.4 | Low | 60.3 | Low | 41 Ų | 41 | 96.1 Ų | 96.1 | 29% | 0.287 | 48% | 0.479 | S | S | . | . | trans | -94.5 | 114.9 | -179.7 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | T249 S253 | T249-S251 PolarHBondContact O-N 2.77Å; S251-S253 PolarHBondContact O-N 3.22Å | ||
| 252 | I | 45.4 | Very low | 57.8 | Low | 173 Ų | 173 | 103.2 Ų | 103.2 | 89% | 0.887 | 51% | 0.512 | S | S | * | . | trans | -80.9 | 62 | 179.1 | -47.2 | -179.6 | 0 | 0 | 0 | 110.8 | ||||
| 253 | S | 40.2 | Very low | 55.3 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -151.1 | 109.1 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 113 | S251 | S251-S253 PolarHBondContact O-N 3.22Š|
| 254 | K | 34.5 | Very low | 52.9 | Low | 194 Ų | 194 | 108.1 Ų | 108.1 | 84% | 0.843 | 54% | 0.535 | S | S | * | . | trans | 52.5 | 98.4 | 159.3 | -64.3 | 178 | 179.7 | 175.5 | 0 | 116.6 | H256 | K254-H256 PolarHBondContact O-N 3.44Å; K254-H256 VanDerWaalsContact O-N 3.08Å | ||
| 255 | Y | 28.7 | Very low | 50.3 | Low | 233 Ų | 233 | 114 Ų | 114 | 91% | 0.914 | 56% | 0.56 | S | S | * | * | trans | -48.5 | 114.4 | 145.4 | -108 | -101.2 | 0 | 0 | 0 | 108.8 | ||||
| 256 | H | 34.1 | Very low | 48 | Very low | 162 Ų | 162 | 117.4 Ų | 117.4 | 75% | 0.75 | 58% | 0.578 | S | S | * | * | trans | -134.8 | 101 | 164.1 | -137.3 | -50.7 | 0 | 0 | 0 | 108.5 | K254 N258 | K254-H256 PolarHBondContact O-N 3.44Å; K254-H256 VanDerWaalsContact O-N 3.08Å; H256-N258 PolarHBondContact O-N 2.98Å | ||
| 257 | D | 31.6 | Very low | 46.2 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | trans | -62.4 | 127.2 | -177.7 | -138.9 | -24.5 | 0 | 0 | 0 | 110.2 | ||||
| 258 | N | 35.2 | Very low | 44.5 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | trans | -153.8 | 95.1 | 170.4 | -101.5 | -49.1 | 0 | 0 | 0 | 109.7 | H256 N260 | H256-N258 PolarHBondContact O-N 2.98Å; N258-N260 PolarHBondContact O-N 2.78Å; N258-N260 VanDerWaalsContact O-N 3.13Å | ||
| 259 | N | 32 | Very low | 43.1 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 62% | 0.624 | S | S | * | * | trans | -40.5 | 112.9 | 173.6 | -70.2 | -86.5 | 0 | 0 | 0 | 113 | ||||
| 260 | N | 36 | Very low | 42 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -154 | 137.3 | 153.8 | -95.5 | -50 | 0 | 0 | 0 | 110.7 | N258 H262 | N258-N260 PolarHBondContact O-N 2.78Å; N258-N260 VanDerWaalsContact O-N 3.13Å; N260-H262 PolarHBondContact O-N 3.37Å | ||
| 261 | N | 30.7 | Very low | 40.8 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 93% | 0.925 | 63% | 0.626 | S | S | * | * | trans | -77 | 61.1 | -176.3 | -71 | -40.2 | 0 | 0 | 0 | 112.6 | R263 | N261-R263 PolarHBondContact O-N 3.1Š| ||
| 262 | H | 34.3 | Very low | 40.3 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | trans | -91.8 | 88.5 | 171.9 | -79 | -67.4 | 0 | 0 | 0 | 111.2 | N260 L264 | N260-H262 PolarHBondContact O-N 3.37Å; H262-L264 PolarHBondContact O-N 3.09Å | ||
| 263 | R | 31.7 | Very low | 40.4 | Very low | 236 Ų | 236 | 130 Ų | 130 | 89% | 0.891 | 63% | 0.627 | S | S | * | * | trans | -30.5 | 98.1 | 162.1 | -174 | -178.8 | -168.3 | 172.9 | 3.6 | 111.6 | N261 K265 | N261-R263 PolarHBondContact O-N 3.1Å; R263-K265 PolarHBondContact O-N 2.92Å | ||
| 264 | L | 36.1 | Very low | 40.9 | Very low | 130 Ų | 130 | 131 Ų | 131 | 68% | 0.681 | 63% | 0.625 | S | S | * | * | trans | -59.8 | 104.9 | 178.9 | -72.3 | 167.9 | 0 | 0 | 0 | 109.5 | H262 | H262-L264 PolarHBondContact O-N 3.09Š| ||
| 265 | K | 36.4 | Very low | 41.8 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | trans | -78.5 | 151.8 | 165.2 | -71.7 | 169.7 | 172.8 | 180 | 0 | 108.7 | R263 E267 | R263-K265 PolarHBondContact O-N 2.92Å; K265-E267 HydrophobicContact CB-CG 3.85Å; K265-E267 HydrophobicContact CD-CG 4.45Å; K265-E267 WeakPolarHBondContact CD-OE1 3.35Å; K265-E267 IonicContact NZ-OE1 2.99Å; K265-E267 PolarHBondContact O-N 2.85Å | ||
| 266 | D | 43.9 | Very low | 43.5 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 37% | 0.374 | 59% | 0.586 | S | S | . | * | trans | -74.3 | 77.4 | 168.1 | -62 | -43.8 | 0 | 0 | 0 | 109.4 | H242 K283 | H242-D266 IonicContact CE1-OD2 3.51Å; H242-D266 IonicContact CG-OD2 3.51Å; H242-D266 IonicContact ND1-OD2 2.7Å; H242-D266 PolarHBondContact ND1-OD2 3.04Å; D266-K283 IonicContact OD1-NZ 3.17Å; D266-K283 PolarHBondContact OD1-NZ 3.14Å; D266-K283 IonicContact OD2-NZ 2.68Å; D266-K283 PolarHBondContact OD2-NZ 3.02Å | ||
| 267 | E | 51.2 | Low | 45.5 | Very low | 129 Ų | 129 | 114 Ų | 114 | 60% | 0.603 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 137.3 | 176.7 | -72.6 | 177.3 | -178.3 | 0 | 0 | 110.4 | K265 I269 | K265-E267 HydrophobicContact CB-CG 3.85Å; K265-E267 HydrophobicContact CD-CG 4.45Å; K265-E267 WeakPolarHBondContact CD-OE1 3.35Å; K265-E267 IonicContact NZ-OE1 2.99Å; K265-E267 PolarHBondContact O-N 2.85Å; E267-I269 WeakPolarHBondContact O-CG1 3.39Å |
| 268 | S | 54.6 | Low | 48.1 | Very low | 69 Ų | 69 | 107.8 Ų | 107.8 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 130.3 | -174.5 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 269 | I | 56.7 | Low | 50.7 | Low | 24 Ų | 24 | 101.3 Ų | 101.3 | 12% | 0.123 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.8 | -168.7 | -57.5 | -167.1 | 0 | 0 | 0 | 111 | L227 Y228 L247 T249 E267 | L227-I269 CarbonylContact C-O 3.18Å; L227-I269 VanDerWaalsContact CA-O 3.3Å; L227-I269 WeakPolarHBondContact CA-O 3.31Å; Y228-I269 PolarHBondContact N-O 2.94Å; Y228-I269 PolarHBondContact O-N 3.35Å; L247-I269 HydrophobicContact CB-CD1 4.21Å; L247-I269 HydrophobicContact CD2-CD1 4.19Å; L247-I269 HydrophobicContact CD2-CG1 4.28Å; L247-I269 HydrophobicContact CG-CD1 3.85Å; L247-I269 HydrophobicContact CG-CG1 4.46Å; T249-I269 HydrophobicContact CG2-CG2 3.43Å; T249-I269 VanDerWaalsContact CG2-CG2 3.43Å; E267-I269 WeakPolarHBondContact O-CG1 3.39Å |
| 270 | H | 54.8 | Low | 53.6 | Low | 86 Ų | 86 | 94.2 Ų | 94.2 | 40% | 0.398 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 130.1 | 167.7 | -67.4 | 63.2 | 0 | 0 | 0 | 110.3 | L227 R272 | L227-H270 HydrophobicContact CD2-CB 4.28Å; L227-H270 VanDerWaalsContact CD2-ND1 3.33Å; L227-H270 WeakPolarHBondContact CD2-ND1 3.29Å; H270-R272 HydrophobicContact CB-CB 4.1Å; H270-R272 PolarHBondContact O-N 2.91Å |
| 271 | G | 50 | Low | 56.2 | Low | 3 Ų | 3 | 88.6 Ų | 88.6 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | trans | -72.3 | 44.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I226 N273 | I226-G271 PolarHBondContact O-N 2.81Å; G271-N273 PolarHBondContact O-N 2.82Å | ||
| 272 | R | 49.1 | Very low | 59.1 | Low | 171 Ų | 171 | 80.4 Ų | 80.4 | 65% | 0.645 | 39% | 0.385 | S | S | * | . | trans | -78.6 | 113.6 | -165.3 | -164.9 | 174.5 | -167.1 | 144.6 | 7.6 | 111.7 | H270 H276 | H270-R272 HydrophobicContact CB-CB 4.1Å; H270-R272 PolarHBondContact O-N 2.91Å; R272-H276 PolarHBondContact O-CE1 2.81Å; R272-H276 PolarHBondContact O-ND1 2.98Å | ||
| 273 | N | 47.5 | Very low | 61.7 | Low | 100 Ų | 100 | 75.6 Ų | 75.6 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 71.8 | 143.6 | -170.8 | -49.4 | 4.1 | 0 | 0 | 0 | 113.2 | G271 D275 H276 | G271-N273 PolarHBondContact O-N 2.82Å; N273-D275 VanDerWaalsContact C-N 3.3Å; N273-D275 PolarHBondContact O-N 2.93Å; N273-D275 VanDerWaalsContact O-N 3.09Å; N273-H276 PolarHBondContact O-N 2.86Å; N273-H276 PolarHBondContact O-ND1 3.19Å; N273-H276 VanDerWaalsContact O-ND1 3.16Å |
| 274 | D | 50.5 | Low | 64.5 | Low | 109 Ų | 109 | 66.4 Ų | 66.4 | 58% | 0.583 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -34.6 | -161.6 | -64.1 | -66.7 | 0 | 0 | 0 | 116.1 | K213 H276 | K213-D274 PolarHBondContact NZ-O 2.82Å; K213-D274 VanDerWaalsContact NZ-O 3.15Å; D274-H276 PolarHBondContact O-N 2.82Å; D274-H276 VanDerWaalsContact O-N 3.07Å |
| 275 | D | 53.6 | Low | 67.1 | Low | 133 Ų | 133 | 68.1 Ų | 68.1 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -15.2 | -179.6 | -62.6 | -39.1 | 0 | 0 | 0 | 114.7 | N273 T277 | N273-D275 VanDerWaalsContact C-N 3.3Å; N273-D275 PolarHBondContact O-N 2.93Å; N273-D275 VanDerWaalsContact O-N 3.09Å; D275-T277 PolarHBondContact O-N 2.81Å |
| 276 | H | 64 | Low | 69.8 | Low | 49 Ų | 49 | 61.6 Ų | 61.6 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | trans | -95.5 | 98.6 | -172 | -60.7 | 88.2 | 0 | 0 | 0 | 112.5 | T249 R272 N273 D274 | T249-H276 HydrophobicContact CG2-CB 4.3Å; R272-H276 PolarHBondContact O-CE1 2.81Å; R272-H276 PolarHBondContact O-ND1 2.98Å; N273-H276 PolarHBondContact O-N 2.86Å; N273-H276 PolarHBondContact O-ND1 3.19Å; N273-H276 VanDerWaalsContact O-ND1 3.16Å; D274-H276 PolarHBondContact O-N 2.82Å; D274-H276 VanDerWaalsContact O-N 3.07Å | ||
| 277 | T | 76 | Confident | 72.1 | Confident | 50 Ų | 50 | 61 Ų | 61 | 31% | 0.307 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 152.8 | 165.5 | 45 | 0 | 0 | 0 | 0 | 111.6 | K213 C250 D275 | K213-T277 HydrophobicContact CB-CG2 4.44Å; K213-T277 HydrophobicContact CD-CG2 4.34Å; C250-T277 VanDerWaalsContact CB-OG1 3.28Å; C250-T277 WeakPolarHBondContact CB-OG1 3.44Å; C250-T277 PolarHBondContact N-O 2.79Å; C250-T277 PolarHBondContact SG-O 2.98Å; C250-T277 VanDerWaalsContact SG-O 3.41Å; C250-T277 PolarHBondContact SG-OG1 2.94Å; C250-T277 VanDerWaalsContact SG-OG1 3.37Å; D275-T277 PolarHBondContact O-N 2.81Å |
| 278 | P | 86 | Confident | 74.2 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 135.7 | 173.7 | 29.2 | -33.2 | 0 | 0 | 0 | 110.8 | L211 Y228 L247 C250 L298 | L211-P278 HydrophobicContact CB-CG 4.21Å; L211-P278 PolarHBondContact N-O 2.84Å; Y228-P278 HydrophobicContact CD1-CB 3.99Å; Y228-P278 HydrophobicContact CD1-CG 3.93Å; Y228-P278 HydrophobicContact CD2-CB 4.44Å; Y228-P278 HydrophobicContact CE1-CB 4.39Å; Y228-P278 HydrophobicContact CE1-CG 3.86Å; Y228-P278 HydrophobicContact CG-CB 4.01Å; Y228-P278 HydrophobicContact CG-CG 4.36Å; L247-P278 HydrophobicContact CD1-CB 4.38Å; C250-P278 VanDerWaalsContact SG-C 3.56Å; C250-P278 PolarHBondContact SG-O 3.3Å; C250-P278 VanDerWaalsContact SG-O 3.42Å; P278-L298 HydrophobicContact CB-CD2 4.47Å; P278-L298 HydrophobicContact CG-CD2 4.19Å |
| 279 | C | 90.4 | Very high | 76 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.1 | 178.2 | -100.7 | 0 | 0 | 0 | 0 | 110.6 | R208 I209 L247 V248 C250 | R208-C279 HydrophobicContact CB-CB 4.03Å; I209-C279 CarbonylContact O-C 3.54Å; I209-C279 WeakPolarHBondContact O-CA 3.26Å; L247-C279 WeakPolarHBondContact CA-O 3.09Å; V248-C279 HydrophobicContact CG2-CB 3.69Å; V248-C279 PolarHBondContact N-O 2.92Å; V248-C279 WeakPolarHBondContact O-CA 3.36Å; V248-C279 WeakPolarHBondContact O-CB 3.45Å; V248-C279 PolarHBondContact O-N 2.72Å; C250-C279 HydrophobicContact CB-CB 4.2Å; C250-C279 WeakPolarHBondContact CB-SG 3.36Å; C250-C279 VanDerWaalsContact SG-CA 3.55Å; C250-C279 WeakPolarHBondContact SG-CB 3.26Å; C250-C279 CovalentContact SG-SG 2.03Å; C250-C279 PolarHBondContact SG-SG 2.89Å |
| 280 | L | 91.6 | Very high | 77.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133.1 | 162.2 | -176.1 | 72.1 | 0 | 0 | 0 | 108.5 | I199 R208 I209 L211 L230 F245 I296 I318 | I199-L280 HydrophobicContact CD1-CD2 4.47Å; R208-L280 CarbonylContact C-O 3.59Å; R208-L280 VanDerWaalsContact CA-O 3.32Å; R208-L280 WeakPolarHBondContact CA-O 3.45Å; I209-L280 HydrophobicContact CB-CB 4.38Å; I209-L280 PolarHBondContact N-O 2.76Å; I209-L280 PolarHBondContact O-N 2.89Å; L211-L280 HydrophobicContact CD1-CB 4.1Å; L211-L280 HydrophobicContact CD2-CB 4.12Å; L211-L280 HydrophobicContact CG-CB 4.15Å; L230-L280 HydrophobicContact CD1-CD1 3.78Å; F245-L280 HydrophobicContact CB-CD1 3.95Å; F245-L280 HydrophobicContact CD1-CD1 4.01Å; F245-L280 HydrophobicContact CD1-CD2 4.12Å; F245-L280 HydrophobicContact CD1-CG 4.21Å; F245-L280 HydrophobicContact CE1-CD2 4.37Å; F245-L280 HydrophobicContact CG-CD1 4.19Å; L280-I296 HydrophobicContact CD1-CD1 3.71Å; L280-I318 HydrophobicContact CD2-CD1 3.61Å; L280-I318 HydrophobicContact CD2-CG1 4.32Å |
| 281 | I | 91.2 | Very high | 79.3 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.8 | 172.8 | -168 | 167.6 | 0 | 0 | 0 | 111.1 | T207 R208 F245 G246 V248 | T207-I281 WeakPolarHBondContact O-CA 3.39Å; R208-I281 HydrophobicContact CG-CD1 4.32Å; R208-I281 HydrophobicContact CG-CG1 4.42Å; F245-I281 WeakPolarHBondContact CA-O 3.18Å; G246-I281 PolarHBondContact N-O 3.48Å; G246-I281 PolarHBondContact O-N 2.78Å; V248-I281 HydrophobicContact CG1-CB 4.19Å; V248-I281 HydrophobicContact CG1-CD1 4.02Å; V248-I281 HydrophobicContact CG1-CG2 3.82Å; V248-I281 HydrophobicContact CG2-CB 3.95Å; V248-I281 HydrophobicContact CG2-CD1 4.35Å; V248-I281 HydrophobicContact CG2-CG2 4.4Å |
| 282 | I | 92 | Very high | 81.3 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 121 | 173.7 | -49.1 | -52.6 | 0 | 0 | 0 | 108.9 | I199 I203 L205 G206 T207 I209 F245 D284 L286 | I199-I282 HydrophobicContact CD1-CD1 4.1Å; I203-I282 HydrophobicContact CD1-CG1 4.19Å; I203-I282 HydrophobicContact CG2-CG1 4.07Å; I203-I282 HydrophobicContact CG2-CG2 4.17Å; L205-I282 HydrophobicContact CD2-CG2 4.18Å; G206-I282 PolarHBondContact N-O 3.26Å; T207-I282 PolarHBondContact O-N 3.2Å; I209-I282 HydrophobicContact CD1-CD1 4.43Å; F245-I282 HydrophobicContact CD1-CD1 3.93Å; F245-I282 HydrophobicContact CE1-CD1 3.8Å; I282-D284 VanDerWaalsContact CG2-O 3.24Å; I282-D284 WeakPolarHBondContact CG2-O 3.26Å; I282-L286 HydrophobicContact CD1-CD1 4.37Å |
| 283 | K | 89 | Confident | 83.4 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | trans | -103.1 | -31.8 | -176.3 | -74.8 | 175.1 | 178.3 | 155.4 | 0 | 113.6 | H242 R243 I244 F245 D266 | H242-K283 VanDerWaalsContact O-CD 3.31Å; H242-K283 WeakPolarHBondContact O-CD 3.47Å; H242-K283 PolarHBondContact O-NZ 3.05Å; R243-K283 WeakPolarHBondContact O-CB 3.32Å; I244-K283 PolarHBondContact O-N 3.12Å; F245-K283 WeakPolarHBondContact O-CD 3.08Å; F245-K283 WeakPolarHBondContact O-CE 3.44Å; F245-K283 PolarHBondContact O-NZ 2.81Å; D266-K283 IonicContact OD1-NZ 3.17Å; D266-K283 PolarHBondContact OD1-NZ 3.14Å; D266-K283 IonicContact OD2-NZ 2.68Å; D266-K283 PolarHBondContact OD2-NZ 3.02Å | ||
| 284 | D | 90.7 | Very high | 85.4 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -136.8 | 168.3 | 178.6 | -152.1 | -20.2 | 0 | 0 | 0 | 109.7 | L205 R243 I282 | L205-D284 WeakPolarHBondContact CD2-O 3.33Å; R243-D284 HydrophobicContact CG-CB 4.33Å; R243-D284 IonicContact CZ-OD2 3.31Å; R243-D284 IonicContact NE-OD2 3.76Å; R243-D284 PolarHBondContact NE-OD2 3.43Å; R243-D284 IonicContact NH2-OD2 2.7Å; R243-D284 PolarHBondContact NH2-OD2 3.34Å; I282-D284 VanDerWaalsContact CG2-O 3.24Å; I282-D284 WeakPolarHBondContact CG2-O 3.26Å |
| 285 | K | 90.5 | Very high | 87.3 | Confident | 166 Ų | 166 | 55.7 Ų | 55.7 | 72% | 0.722 | 27% | 0.267 | S | S | * | . | trans | -60.2 | 148.5 | -178.7 | -73.4 | -168.8 | 167.3 | -155.9 | 0 | 111.9 | L205 | L205-K285 HydrophobicContact CD2-CG 4.47Š| ||
| 286 | L | 93.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | trans | -101.7 | 158.2 | 165.8 | -57.5 | 171.6 | 0 | 0 | 0 | 108 | I199 E201 I203 I244 F245 I282 Y294 I320 | I199-L286 HydrophobicContact CB-CD1 4.46Å; I199-L286 HydrophobicContact CG2-CD1 3.58Å; E201-L286 HydrophobicContact CB-CB 4.2Å; I203-L286 HydrophobicContact CG2-CD1 3.79Å; I244-L286 HydrophobicContact CG2-CD2 3.47Å; I244-L286 VanDerWaalsContact CG2-CD2 3.47Å; F245-L286 HydrophobicContact CE1-CD2 4.22Å; F245-L286 HydrophobicContact CZ-CD2 3.99Å; I282-L286 HydrophobicContact CD1-CD1 4.37Å; L286-Y294 HydrophobicContact CD2-CE2 3.94Å; L286-I320 HydrophobicContact CB-CD1 4.44Å; L286-I320 HydrophobicContact CD1-CD1 3.87Å; L286-I320 HydrophobicContact CD2-CD1 4.43Å; L286-I320 HydrophobicContact CG-CD1 4.47Å | ||
| 287 | D | 92.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 32% | 0.316 | 24% | 0.238 | S | C | . | . | trans | -157 | 115.4 | -168.5 | 176.9 | -47.6 | 0 | 0 | 0 | 106.4 | E289 M290 K291 | D287-E289 PolarHBondContact OD1-N 3.03Å; D287-M290 HydrophobicContact CB-CB 4.19Å; D287-M290 HydrophobicContact CB-CG 4.47Å; D287-M290 WeakPolarHBondContact OD1-CB 3.39Å; D287-M290 VanDerWaalsContact OD1-CG 3.23Å; D287-M290 WeakPolarHBondContact OD1-CG 3.25Å; D287-M290 PolarHBondContact OD1-N 2.84Å; D287-K291 CarbonylContact O-C 3.58Å; D287-K291 PolarHBondContact O-N 3.39Å | ||
| 288 | Y | 94 | Very high | 91 | Very high | 38 Ų | 38 | 48 Ų | 48 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.1 | -41.8 | -171.9 | -178.9 | -92.8 | 0 | 0 | 0 | 111.4 | E201 M290 K291 Q292 I320 D322 S362 | E201-Y288 VanDerWaalsContact OE2-CB 3.29Å; E201-Y288 WeakPolarHBondContact OE2-CB 3.32Å; E201-Y288 PolarHBondContact OE2-N 2.87Å; Y288-M290 VanDerWaalsContact C-N 3.28Å; Y288-M290 PolarHBondContact O-N 3.42Å; Y288-K291 CarbonylContact O-C 3.57Å; Y288-K291 PolarHBondContact O-N 2.96Å; Y288-K291 VanDerWaalsContact O-N 3.14Å; Y288-Q292 HydrophobicContact CD1-CG 4.09Å; Y288-Q292 HydrophobicContact CD2-CB 4.14Å; Y288-Q292 HydrophobicContact CD2-CG 3.94Å; Y288-Q292 HydrophobicContact CE1-CG 3.78Å; Y288-Q292 HydrophobicContact CE2-CB 3.82Å; Y288-Q292 HydrophobicContact CE2-CG 3.64Å; Y288-Q292 HydrophobicContact CG-CG 4.16Å; Y288-Q292 VanDerWaalsContact O-CG 3.3Å; Y288-Q292 WeakPolarHBondContact O-CG 3.33Å; Y288-Q292 PolarHBondContact O-N 2.91Å; Y288-Q292 PolarHBondContact OH-NE2 2.89Å; Y288-I320 HydrophobicContact CD2-CB 4.04Å; Y288-I320 HydrophobicContact CD2-CG2 3.99Å; Y288-I320 WeakPolarHBondContact CD2-O 3.43Å; Y288-I320 WeakPolarHBondContact CE2-O 3.34Å; Y288-D322 HydrophobicContact CD1-CB 3.8Å; Y288-D322 VanDerWaalsContact CD1-OD1 3.27Å; Y288-D322 WeakPolarHBondContact CD1-OD1 3.14Å; Y288-D322 HydrophobicContact CD2-CB 3.98Å; Y288-D322 HydrophobicContact CE1-CB 3.88Å; Y288-D322 WeakPolarHBondContact CE1-OD1 3.1Å; Y288-D322 HydrophobicContact CE2-CB 4.04Å; Y288-D322 HydrophobicContact CG-CB 3.87Å; Y288-S362 WeakPolarHBondContact CE1-OG 3.46Å |
| 289 | E | 93.5 | Very high | 91.1 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.5 | -41 | 177.5 | -73.9 | 55.1 | -104.5 | 0 | 0 | 111.1 | D287 N326 M360 | D287-E289 PolarHBondContact OD1-N 3.03Å; E289-N326 PolarHBondContact OE2-ND2 3.48Å; E289-M360 HydrophobicContact CG-CB 3.72Å |
| 290 | M | 90.9 | Very high | 91 | Very high | 158 Ų | 158 | 49.2 Ų | 49.2 | 78% | 0.778 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -76 | -42.4 | 173.3 | -70.6 | -168.3 | 66.1 | 0 | 0 | 112.4 | D287 Y288 | D287-M290 HydrophobicContact CB-CB 4.19Å; D287-M290 HydrophobicContact CB-CG 4.47Å; D287-M290 WeakPolarHBondContact OD1-CB 3.39Å; D287-M290 VanDerWaalsContact OD1-CG 3.23Å; D287-M290 WeakPolarHBondContact OD1-CG 3.25Å; D287-M290 PolarHBondContact OD1-N 2.84Å; Y288-M290 VanDerWaalsContact C-N 3.28Å; Y288-M290 PolarHBondContact O-N 3.42Å |
| 291 | K | 89.9 | Confident | 90.6 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -158.3 | 86.7 | -172.4 | -165.7 | 139.6 | -179.1 | 162.2 | 0 | 116.6 | D236 T239 D287 Y288 Y293 Y294 I320 | D236-K291 IonicContact OD1-NZ 3.09Å; D236-K291 IonicContact OD2-NZ 2.68Å; D236-K291 PolarHBondContact OD2-NZ 3.1Å; T239-K291 PolarHBondContact OG1-NZ 2.62Å; D287-K291 CarbonylContact O-C 3.58Å; D287-K291 PolarHBondContact O-N 3.39Å; Y288-K291 CarbonylContact O-C 3.57Å; Y288-K291 PolarHBondContact O-N 2.96Å; Y288-K291 VanDerWaalsContact O-N 3.14Å; K291-Y293 WeakPolarHBondContact CE-O 3.36Å; K291-Y293 VanDerWaalsContact CG-O 3.25Å; K291-Y293 WeakPolarHBondContact CG-O 3.19Å; K291-Y293 PolarHBondContact O-N 3Å; K291-Y294 HydrophobicContact CB-CE1 4.44Å; K291-Y294 HydrophobicContact CB-CE2 4.21Å; K291-Y294 HydrophobicContact CD-CD1 4.03Å; K291-Y294 HydrophobicContact CD-CE1 3.63Å; K291-Y294 HydrophobicContact CG-CD1 4.29Å; K291-Y294 HydrophobicContact CG-CD2 4.32Å; K291-Y294 HydrophobicContact CG-CE1 3.87Å; K291-Y294 HydrophobicContact CG-CE2 3.89Å; K291-I320 VanDerWaalsContact O-CG1 3.31Å; K291-I320 WeakPolarHBondContact O-CG1 3.4Å |
| 292 | Q | 92.2 | Very high | 89.9 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -53.8 | -21.2 | 173.1 | -53 | -174.6 | -18.2 | 0 | 0 | 116.8 | Y288 I320 | Y288-Q292 HydrophobicContact CD1-CG 4.09Å; Y288-Q292 HydrophobicContact CD2-CB 4.14Å; Y288-Q292 HydrophobicContact CD2-CG 3.94Å; Y288-Q292 HydrophobicContact CE1-CG 3.78Å; Y288-Q292 HydrophobicContact CE2-CB 3.82Å; Y288-Q292 HydrophobicContact CE2-CG 3.64Å; Y288-Q292 HydrophobicContact CG-CG 4.16Å; Y288-Q292 VanDerWaalsContact O-CG 3.3Å; Y288-Q292 WeakPolarHBondContact O-CG 3.33Å; Y288-Q292 PolarHBondContact O-N 2.91Å; Y288-Q292 PolarHBondContact OH-NE2 2.89Å; Q292-I320 PolarHBondContact O-N 2.8Å |
| 293 | Y | 91.6 | Very high | 88.7 | Confident | 140 Ų | 140 | 52.6 Ų | 52.6 | 55% | 0.549 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 156.3 | 174.5 | 73 | -84.5 | 0 | 0 | 0 | 114.6 | K291 I318 | K291-Y293 WeakPolarHBondContact CE-O 3.36Å; K291-Y293 VanDerWaalsContact CG-O 3.25Å; K291-Y293 WeakPolarHBondContact CG-O 3.19Å; K291-Y293 PolarHBondContact O-N 3Å; Y293-I318 CarbonylContact C-O 3.55Å; Y293-I318 WeakPolarHBondContact CA-O 3.44Å; Y293-I318 WeakPolarHBondContact CB-O 3.26Å |
| 294 | Y | 91 | Very high | 87.6 | Confident | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.7 | 174 | -57.9 | -99.9 | 0 | 0 | 0 | 110.1 | T239 Y241 I244 F245 L286 K291 I318 I320 | T239-Y294 HydrophobicContact CG2-CD1 3.96Å; T239-Y294 HydrophobicContact CG2-CE1 3.69Å; Y241-Y294 HydrophobicContact CD1-CD1 4.43Å; Y241-Y294 AromaticContact CE1-CD1 3.93Å; Y241-Y294 HydrophobicContact CE1-CD1 3.93Å; I244-Y294 HydrophobicContact CD1-CE1 3.66Å; F245-Y294 AromaticContact CE2-CD1 3.74Å; F245-Y294 HydrophobicContact CE2-CD1 3.74Å; F245-Y294 HydrophobicContact CE2-CD2 4.13Å; F245-Y294 HydrophobicContact CE2-CE1 4.24Å; F245-Y294 AromaticContact CE2-CG 3.67Å; F245-Y294 HydrophobicContact CE2-CG 3.67Å; F245-Y294 HydrophobicContact CZ-CD1 4.34Å; F245-Y294 AromaticContact CZ-CD2 3.91Å; F245-Y294 HydrophobicContact CZ-CD2 3.91Å; F245-Y294 HydrophobicContact CZ-CE2 4.31Å; F245-Y294 AromaticContact CZ-CG 3.93Å; F245-Y294 HydrophobicContact CZ-CG 3.93Å; L286-Y294 HydrophobicContact CD2-CE2 3.94Å; K291-Y294 HydrophobicContact CB-CE1 4.44Å; K291-Y294 HydrophobicContact CB-CE2 4.21Å; K291-Y294 HydrophobicContact CD-CD1 4.03Å; K291-Y294 HydrophobicContact CD-CE1 3.63Å; K291-Y294 HydrophobicContact CG-CD1 4.29Å; K291-Y294 HydrophobicContact CG-CD2 4.32Å; K291-Y294 HydrophobicContact CG-CE1 3.87Å; K291-Y294 HydrophobicContact CG-CE2 3.89Å; Y294-I318 PolarHBondContact N-O 3.29Å; Y294-I318 PolarHBondContact O-N 3.05Å; Y294-I320 HydrophobicContact CD2-CD1 4.12Å; Y294-I320 HydrophobicContact CD2-CG1 4.21Å; Y294-I320 HydrophobicContact CE2-CD1 3.99Å; Y294-I320 HydrophobicContact CE2-CG1 3.94Å |
| 295 | S | 89.8 | Confident | 86.3 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.2 | 172.1 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | Y194 P233 Y241 I316 | Y194-S295 WeakPolarHBondContact CE1-OG 3.35Å; P233-S295 WeakPolarHBondContact CD-O 3.38Å; P233-S295 WeakPolarHBondContact CG-O 3.5Å; Y241-S295 WeakPolarHBondContact CE1-O 3.05Å; S295-I316 WeakPolarHBondContact CA-O 3.44Å |
| 296 | I | 90.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 171.7 | 177.1 | 70 | 178.2 | 0 | 0 | 0 | 109.6 | L230 Y232 Y241 L280 I316 I318 | L230-I296 HydrophobicContact CD1-CD1 4.4Å; L230-I296 HydrophobicContact CD2-CD1 4Å; Y232-I296 HydrophobicContact CD1-CB 3.92Å; Y232-I296 HydrophobicContact CD1-CG2 3.6Å; Y232-I296 HydrophobicContact CE1-CB 4.12Å; Y232-I296 HydrophobicContact CE1-CG2 3.8Å; Y241-I296 HydrophobicContact CD1-CG2 3.55Å; Y241-I296 HydrophobicContact CE1-CG2 3.71Å; L280-I296 HydrophobicContact CD1-CD1 3.71Å; I296-I316 HydrophobicContact CG1-CB 3.83Å; I296-I316 HydrophobicContact CG1-CD1 4.37Å; I296-I316 HydrophobicContact CG1-CG2 4.17Å; I296-I316 PolarHBondContact N-O 2.95Å; I296-I316 PolarHBondContact O-N 3.04Å; I296-I316 VanDerWaalsContact O-O 3.13Å; I296-I318 HydrophobicContact CD1-CD1 3.78Å; I296-I318 HydrophobicContact CG1-CD1 4.3Å |
| 297 | E | 90 | Very high | 83 | Confident | 70 Ų | 70 | 57 Ų | 57 | 33% | 0.327 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.7 | 177.4 | -70.3 | 167.2 | 174.8 | 0 | 0 | 109.5 | L230 N231 I313 L314 | L230-E297 CarbonylContact C-O 3.56Å; L230-E297 WeakPolarHBondContact CA-O 2.82Å; N231-E297 HydrophobicContact CB-CB 4.13Å; N231-E297 PolarHBondContact N-O 3.32Å; N231-E297 PolarHBondContact ND2-OE2 3.02Å; N231-E297 PolarHBondContact O-N 2.92Å; E297-I313 HydrophobicContact CB-CG2 4.13Å; E297-I313 HydrophobicContact CG-CG2 4.16Å; E297-L314 CarbonylContact C-O 3.59Å; E297-L314 WeakPolarHBondContact CA-O 3.32Å |
| 298 | L | 90.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 117 | 165.7 | 177.7 | 71.6 | 0 | 0 | 0 | 108.5 | F183 L211 Y228 L230 L247 P278 L314 I316 | F183-L298 HydrophobicContact CE1-CD2 4Å; F183-L298 HydrophobicContact CZ-CD2 3.94Å; F183-L298 HydrophobicContact CZ-CG 4.15Å; L211-L298 HydrophobicContact CB-CD2 3.95Å; L211-L298 HydrophobicContact CD1-CD1 4.21Å; L211-L298 HydrophobicContact CD1-CD2 4.02Å; Y228-L298 HydrophobicContact CD1-CD1 4.14Å; Y228-L298 HydrophobicContact CD1-CD2 4.14Å; Y228-L298 HydrophobicContact CD1-CG 4.27Å; L230-L298 HydrophobicContact CD2-CB 4.26Å; L230-L298 HydrophobicContact CD2-CD1 3.97Å; L247-L298 HydrophobicContact CD1-CD1 3.93Å; L247-L298 HydrophobicContact CD2-CD1 4.18Å; P278-L298 HydrophobicContact CB-CD2 4.47Å; P278-L298 HydrophobicContact CG-CD2 4.19Å; L298-L314 HydrophobicContact CB-CB 4.23Å; L298-L314 HydrophobicContact CD2-CD2 4.24Å; L298-L314 PolarHBondContact N-O 3.5Å; L298-L314 PolarHBondContact O-N 2.82Å; L298-I316 HydrophobicContact CB-CD1 3.64Å |
| 299 | I | 88.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 133.8 | 175.3 | -53.6 | -175.4 | 0 | 0 | 0 | 108.4 | Y228 K229 N231 C311 A312 I313 | Y228-I299 WeakPolarHBondContact CA-O 3.28Å; K229-I299 PolarHBondContact N-O 3.16Å; K229-I299 PolarHBondContact O-N 2.86Å; N231-I299 HydrophobicContact CB-CD1 3.65Å; N231-I299 HydrophobicContact CB-CG1 4.12Å; I299-C311 HydrophobicContact CG2-CB 3.7Å; I299-A312 WeakPolarHBondContact CA-O 3.22Å; I299-I313 HydrophobicContact CG1-CG1 4.34Å |
| 300 | A | 87 | Confident | 78.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P181 F183 A214 I226 L227 Y228 C311 A312 | P181-A300 HydrophobicContact CB-CB 4.41Å; F183-A300 HydrophobicContact CE2-CB 4.22Å; F183-A300 HydrophobicContact CZ-CB 3.83Å; A214-A300 HydrophobicContact CB-CB 3.51Å; I226-A300 HydrophobicContact CG2-CB 3.84Å; L227-A300 WeakPolarHBondContact O-CA 3.49Å; Y228-A300 HydrophobicContact CD1-CB 3.88Å; Y228-A300 HydrophobicContact CE1-CB 3.77Å; A300-C311 CarbonylContact O-C 3.56Å; A300-C311 VanDerWaalsContact O-CA 3.29Å; A300-C311 WeakPolarHBondContact O-CA 3.14Å; A300-C311 WeakPolarHBondContact O-CB 3.33Å; A300-A312 HydrophobicContact CB-CB 4.22Å; A300-A312 PolarHBondContact N-O 3.41Å; A300-A312 PolarHBondContact O-N 3.01Å |
| 301 | C | 83.2 | Confident | 78.3 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 14% | 0.135 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 151.7 | 179.1 | -53.2 | 0 | 0 | 0 | 0 | 109.3 | L227 C311 | L227-C301 WeakPolarHBondContact CA-O 3.39Å; L227-C301 WeakPolarHBondContact CB-O 3.43Å; L227-C301 PolarHBondContact N-O 2.9Å; L227-C301 PolarHBondContact O-N 2.96Å; C301-C311 HydrophobicContact CB-CB 4Å; C301-C311 WeakPolarHBondContact CB-SG 3.48Å; C301-C311 WeakPolarHBondContact SG-CB 3.39Å; C301-C311 CovalentContact SG-SG 2.04Å; C301-C311 PolarHBondContact SG-SG 2.92Å |
| 302 | E | 77.5 | Confident | 78 | Confident | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 150.9 | 168 | -157.8 | -147.2 | 179.5 | 0 | 0 | 111.3 | N177 N225 G304 Y305 | N177-E302 PolarHBondContact ND2-OE1 3.44Å; N177-E302 PolarHBondContact ND2-OE2 3.28Å; N225-E302 HydrophobicContact CB-CG 4.04Å; E302-G304 PolarHBondContact O-N 2.83Å; E302-Y305 HydrophobicContact CB-CD2 4.29Å; E302-Y305 PolarHBondContact O-N 2.74Å; E302-Y305 WeakPolarHBondContact OE2-CE2 3.1Å |
| 303 | S | 67.3 | Low | 77.8 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 83.8 | -176.2 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | N225 | N225-S303 WeakPolarHBondContact CB-OG 3.3Å; N225-S303 WeakPolarHBondContact O-CB 3.24Å; N225-S303 PolarHBondContact O-N 3.34Å |
| 304 | G | 64.9 | Low | 77.5 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 69% | 0.691 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 157.1 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E302 | E302-G304 PolarHBondContact O-N 2.83Š|
| 305 | Y | 63.1 | Low | 77.4 | Confident | 121 Ų | 121 | 47.1 Ų | 47.1 | 48% | 0.475 | 29% | 0.288 | S | S | . | . | trans | -82.6 | 133.8 | 172.7 | -61 | -79.8 | 0 | 0 | 0 | 110.3 | E302 | E302-Y305 HydrophobicContact CB-CD2 4.29Å; E302-Y305 PolarHBondContact O-N 2.74Å; E302-Y305 WeakPolarHBondContact OE2-CE2 3.1Å | ||
| 306 | S | 54.9 | Low | 77.4 | Confident | 107 Ų | 107 | 45.5 Ų | 45.5 | 75% | 0.748 | 28% | 0.276 | S | S | * | . | trans | -135.8 | 5.3 | -179.7 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 307 | T | 59.2 | Low | 77.3 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -80.7 | 124.7 | 173.6 | 11.3 | 0 | 0 | 0 | 0 | 109.2 | T309 D310 | T307-T309 PolarHBondContact O-N 3.13Å; T307-D310 WeakPolarHBondContact CB-OD2 3.41Å; T307-D310 PolarHBondContact O-N 2.82Å; T307-D310 PolarHBondContact OG1-OD2 3.1Å |
| 308 | P | 57.2 | Low | 77.4 | Confident | 105 Ų | 105 | 45.5 Ų | 45.5 | 68% | 0.682 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.3 | -175.8 | -26.6 | 35.4 | 0 | 0 | 0 | 116 | D310 | P308-D310 VanDerWaalsContact C-N 3.26Š|
| 309 | T | 63.6 | Low | 77.6 | Confident | 95 Ų | 95 | 47.4 Ų | 47.4 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.9 | 173.6 | 42.5 | 0 | 0 | 0 | 0 | 113.1 | R180 T307 | R180-T309 PolarHBondContact NH1-O 3.16Å; T307-T309 PolarHBondContact O-N 3.13Å |
| 310 | D | 70.1 | Confident | 77.9 | Confident | 54 Ų | 54 | 46.2 Ų | 46.2 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -109.1 | -0.7 | -163.9 | -39.1 | -31.9 | 0 | 0 | 0 | 111.3 | T307 P308 | T307-D310 WeakPolarHBondContact CB-OD2 3.41Å; T307-D310 PolarHBondContact O-N 2.82Å; T307-D310 PolarHBondContact OG1-OD2 3.1Å; P308-D310 VanDerWaalsContact C-N 3.26Å |
| 311 | C | 82 | Confident | 78.2 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -105.9 | 151.9 | -178.7 | -50.5 | 0 | 0 | 0 | 0 | 112 | I299 A300 C301 | I299-C311 HydrophobicContact CG2-CB 3.7Å; A300-C311 CarbonylContact O-C 3.56Å; A300-C311 VanDerWaalsContact O-CA 3.29Å; A300-C311 WeakPolarHBondContact O-CA 3.14Å; A300-C311 WeakPolarHBondContact O-CB 3.33Å; C301-C311 HydrophobicContact CB-CB 4Å; C301-C311 WeakPolarHBondContact CB-SG 3.48Å; C301-C311 WeakPolarHBondContact SG-CB 3.39Å; C301-C311 CovalentContact SG-SG 2.04Å; C301-C311 PolarHBondContact SG-SG 2.92Å |
| 312 | A | 84.6 | Confident | 78.6 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 142.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P181 F183 I299 A300 | P181-A312 HydrophobicContact CB-CB 4.23Å; P181-A312 VanDerWaalsContact O-CB 3.3Å; P181-A312 WeakPolarHBondContact O-CB 3.32Å; F183-A312 HydrophobicContact CD2-CB 3.5Å; F183-A312 VanDerWaalsContact CD2-CB 3.5Å; F183-A312 HydrophobicContact CE2-CB 3.4Å; F183-A312 HydrophobicContact CZ-CB 4.39Å; I299-A312 WeakPolarHBondContact CA-O 3.22Å; A300-A312 HydrophobicContact CB-CB 4.22Å; A300-A312 PolarHBondContact N-O 3.41Å; A300-A312 PolarHBondContact O-N 3.01Å |
| 313 | I | 86.7 | Confident | 79.4 | Confident | 83 Ų | 83 | 50 Ų | 50 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.4 | 171.5 | -55.2 | -179.6 | 0 | 0 | 0 | 108.4 | E297 I299 | E297-I313 HydrophobicContact CB-CG2 4.13Å; E297-I313 HydrophobicContact CG-CG2 4.16Å; I299-I313 HydrophobicContact CG1-CG1 4.34Å |
| 314 | L | 86.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.5 | 176.4 | 177.3 | 63.6 | 0 | 0 | 0 | 109.2 | F183 F186 F195 M212 E297 L298 I316 | F183-L314 HydrophobicContact CD1-CB 4.42Å; F183-L314 HydrophobicContact CD1-CD2 4.05Å; F183-L314 HydrophobicContact CD2-CB 3.66Å; F183-L314 HydrophobicContact CE1-CB 4.27Å; F183-L314 HydrophobicContact CE1-CD2 4.01Å; F183-L314 HydrophobicContact CE2-CB 3.49Å; F183-L314 VanDerWaalsContact CE2-CB 3.49Å; F183-L314 HydrophobicContact CG-CB 4.14Å; F183-L314 HydrophobicContact CG-CD2 4.41Å; F183-L314 HydrophobicContact CZ-CB 3.81Å; F183-L314 HydrophobicContact CZ-CD2 4.33Å; F186-L314 HydrophobicContact CD1-CD1 4.48Å; F186-L314 HydrophobicContact CD2-CD1 3.58Å; F186-L314 HydrophobicContact CE1-CD1 4.15Å; F186-L314 HydrophobicContact CE2-CD1 3.22Å; F186-L314 HydrophobicContact CG-CD1 4.24Å; F186-L314 HydrophobicContact CZ-CD1 3.54Å; F195-L314 HydrophobicContact CB-CD1 3.95Å; F195-L314 HydrophobicContact CB-CD2 4.29Å; F195-L314 HydrophobicContact CB-CG 4.16Å; F195-L314 HydrophobicContact CG-CD2 4.41Å; M212-L314 HydrophobicContact CB-CD2 4.21Å; E297-L314 CarbonylContact C-O 3.59Å; E297-L314 WeakPolarHBondContact CA-O 3.32Å; L298-L314 HydrophobicContact CB-CB 4.23Å; L298-L314 HydrophobicContact CD2-CD2 4.24Å; L298-L314 PolarHBondContact N-O 3.5Å; L298-L314 PolarHBondContact O-N 2.82Å; L314-I316 HydrophobicContact CD2-CG1 4.37Å; L314-I316 HydrophobicContact CG-CG1 4.16Å; L314-I316 PolarHBondContact O-N 3.46Å |
| 315 | P | 88.4 | Confident | 82 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 26% | 0.26 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125 | 172.9 | 30 | -33.4 | 0 | 0 | 0 | 109.5 | Y194 F195 | Y194-P315 CarbonylContact C-O 3.55Å; Y194-P315 WeakPolarHBondContact CA-O 3.43Å; Y194-P315 HydrophobicContact CD1-CB 3.76Å; Y194-P315 HydrophobicContact CE1-CB 4.02Å; F195-P315 PolarHBondContact N-O 2.95Å |
| 316 | I | 89.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.1 | -178.7 | -61.5 | 166.1 | 0 | 0 | 0 | 108.5 | F195 V197 L211 S295 I296 L298 L314 I318 | F195-I316 HydrophobicContact CB-CG1 4.17Å; F195-I316 HydrophobicContact CD1-CG1 4.23Å; F195-I316 HydrophobicContact CD1-CG2 4.42Å; F195-I316 CarbonylContact O-C 3.55Å; F195-I316 WeakPolarHBondContact O-CA 3.35Å; V197-I316 HydrophobicContact CB-CG2 4.43Å; V197-I316 HydrophobicContact CG2-CG2 3.8Å; L211-I316 HydrophobicContact CD1-CD1 3.84Å; L211-I316 HydrophobicContact CD2-CD1 3.93Å; L211-I316 HydrophobicContact CG-CD1 4.44Å; S295-I316 WeakPolarHBondContact CA-O 3.44Å; I296-I316 HydrophobicContact CG1-CB 3.83Å; I296-I316 HydrophobicContact CG1-CD1 4.37Å; I296-I316 HydrophobicContact CG1-CG2 4.17Å; I296-I316 PolarHBondContact N-O 2.95Å; I296-I316 PolarHBondContact O-N 3.04Å; I296-I316 VanDerWaalsContact O-O 3.13Å; L298-I316 HydrophobicContact CB-CD1 3.64Å; L314-I316 HydrophobicContact CD2-CG1 4.37Å; L314-I316 HydrophobicContact CG-CG1 4.16Å; L314-I316 PolarHBondContact O-N 3.46Å; I316-I318 HydrophobicContact CG2-CG1 4.06Å |
| 317 | K | 90.3 | Very high | 85.1 | Confident | 71 Ų | 71 | 44.4 Ų | 44.4 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114.4 | 169.1 | -175.9 | -172.2 | 174.3 | -166 | 0 | 108.7 | Y194 F195 N196 V197 | Y194-K317 HydrophobicContact CD1-CB 3.9Å; Y194-K317 HydrophobicContact CG-CB 3.86Å; F195-K317 PolarHBondContact O-N 2.89Å; N196-K317 WeakPolarHBondContact CA-O 3.44Å; V197-K317 PolarHBondContact N-O 3.27Å |
| 318 | I | 92.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.1 | 172.1 | -60.2 | 168.6 | 0 | 0 | 0 | 107.3 | V197 I199 F245 L280 Y293 Y294 I296 I316 I320 | V197-I318 HydrophobicContact CB-CG1 4.28Å; V197-I318 CarbonylContact O-C 3.57Å; V197-I318 VanDerWaalsContact O-CA 3.29Å; V197-I318 WeakPolarHBondContact O-CA 3.39Å; I199-I318 HydrophobicContact CD1-CG2 3.49Å; I199-I318 VanDerWaalsContact CD1-CG2 3.49Å; I199-I318 HydrophobicContact CG1-CG2 3.99Å; F245-I318 HydrophobicContact CD1-CD1 4.11Å; F245-I318 HydrophobicContact CD2-CD1 4.4Å; F245-I318 HydrophobicContact CE1-CD1 3.64Å; F245-I318 HydrophobicContact CE2-CD1 3.96Å; F245-I318 HydrophobicContact CG-CD1 4.48Å; F245-I318 HydrophobicContact CZ-CD1 3.55Å; F245-I318 HydrophobicContact CZ-CG2 4.35Å; L280-I318 HydrophobicContact CD2-CD1 3.61Å; L280-I318 HydrophobicContact CD2-CG1 4.32Å; Y293-I318 CarbonylContact C-O 3.55Å; Y293-I318 WeakPolarHBondContact CA-O 3.44Å; Y293-I318 WeakPolarHBondContact CB-O 3.26Å; Y294-I318 PolarHBondContact N-O 3.29Å; Y294-I318 PolarHBondContact O-N 3.05Å; I296-I318 HydrophobicContact CD1-CD1 3.78Å; I296-I318 HydrophobicContact CG1-CD1 4.3Å; I316-I318 HydrophobicContact CG2-CG1 4.06Å; I318-I320 HydrophobicContact CG2-CD1 3.97Å |
| 319 | T | 93.6 | Very high | 88.5 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.9 | 174 | -52.5 | 0 | 0 | 0 | 0 | 108.9 | V197 T198 I199 | V197-T319 PolarHBondContact O-N 3.48Å; T198-T319 WeakPolarHBondContact CA-O 3.4Å; I199-T319 PolarHBondContact N-O 2.95Å |
| 320 | I | 94.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 138.5 | 177.1 | -51.2 | -52.2 | 0 | 0 | 0 | 109 | I199 E201 L286 Y288 K291 Q292 Y294 I318 | I199-I320 HydrophobicContact CB-CD1 4.32Å; I199-I320 CarbonylContact O-C 3.53Å; I199-I320 VanDerWaalsContact O-CA 3.26Å; I199-I320 WeakPolarHBondContact O-CA 3.42Å; E201-I320 HydrophobicContact CB-CG2 3.73Å; L286-I320 HydrophobicContact CB-CD1 4.44Å; L286-I320 HydrophobicContact CD1-CD1 3.87Å; L286-I320 HydrophobicContact CD2-CD1 4.43Å; L286-I320 HydrophobicContact CG-CD1 4.47Å; Y288-I320 HydrophobicContact CD2-CB 4.04Å; Y288-I320 HydrophobicContact CD2-CG2 3.99Å; Y288-I320 WeakPolarHBondContact CD2-O 3.43Å; Y288-I320 WeakPolarHBondContact CE2-O 3.34Å; K291-I320 VanDerWaalsContact O-CG1 3.31Å; K291-I320 WeakPolarHBondContact O-CG1 3.4Å; Q292-I320 PolarHBondContact O-N 2.8Å; Y294-I320 HydrophobicContact CD2-CD1 4.12Å; Y294-I320 HydrophobicContact CD2-CG1 4.21Å; Y294-I320 HydrophobicContact CE2-CD1 3.99Å; Y294-I320 HydrophobicContact CE2-CG1 3.94Å; I318-I320 HydrophobicContact CG2-CD1 3.97Å |
| 321 | I | 93.2 | Very high | 90.8 | Very high | 76 Ų | 76 | 39 Ų | 39 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.1 | 168.4 | -69.4 | 176.3 | 0 | 0 | 0 | 107.9 | T198 I199 K200 E201 | T198-I321 HydrophobicContact CG2-CD1 3.46Å; T198-I321 VanDerWaalsContact CG2-CD1 3.46Å; T198-I321 HydrophobicContact CG2-CG1 3.64Å; I199-I321 PolarHBondContact O-N 2.97Å; K200-I321 HydrophobicContact CG-CB 4.23Å; K200-I321 HydrophobicContact CG-CG2 4.26Å; E201-I321 PolarHBondContact N-O 3.19Å |
| 322 | D | 93.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -47.6 | 134.6 | 163.8 | -176.4 | 96.8 | 0 | 0 | 0 | 112.7 | E201 Y288 S362 N365 | E201-D322 WeakPolarHBondContact OE1-CA 3.48Å; Y288-D322 HydrophobicContact CD1-CB 3.8Å; Y288-D322 VanDerWaalsContact CD1-OD1 3.27Å; Y288-D322 WeakPolarHBondContact CD1-OD1 3.14Å; Y288-D322 HydrophobicContact CD2-CB 3.98Å; Y288-D322 HydrophobicContact CE1-CB 3.88Å; Y288-D322 WeakPolarHBondContact CE1-OD1 3.1Å; Y288-D322 HydrophobicContact CE2-CB 4.04Å; Y288-D322 HydrophobicContact CG-CB 3.87Å; D322-S362 VanDerWaalsContact OD1-CB 3.29Å; D322-S362 WeakPolarHBondContact OD1-CB 3.05Å; D322-S362 PolarHBondContact OD1-N 3.26Å; D322-S362 PolarHBondContact OD2-N 3.4Å; D322-N365 PolarHBondContact OD2-ND2 3.28Å |
| 323 | M | 93.9 | Very high | 91.3 | Very high | 27 Ų | 27 | 42 Ų | 42 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | trans | -128.8 | 149.2 | 176.5 | -72.4 | -68.5 | -31.5 | 0 | 0 | 108.9 | K200 E201 D325 | K200-M323 HydrophobicContact CB-CG 4.26Å; K200-M323 HydrophobicContact CB-SD 4.34Å; K200-M323 HydrophobicContact CD-SD 3.64Å; K200-M323 HydrophobicContact CG-SD 4.08Å; K200-M323 PolarHBondContact NZ-SD 2.88Å; E201-M323 HydrophobicContact CG-CB 4.29Å; E201-M323 HydrophobicContact CG-CG 4.36Å; E201-M323 PolarHBondContact OE1-N 3.1Å; M323-D325 WeakPolarHBondContact O-CB 3.24Å; M323-D325 PolarHBondContact O-N 3.2Å | ||
| 324 | N | 93.7 | Very high | 91 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -68.6 | 94.2 | 175.2 | -145.7 | 78.7 | 0 | 0 | 0 | 109.3 | D361 N365 D448 G450 P452 H454 | N324-D361 VanDerWaalsContact CA-OD2 3.28Å; N324-D361 WeakPolarHBondContact CA-OD2 3.41Å; N324-N365 HydrophobicContact CB-CB 4.37Å; N324-N365 PolarHBondContact N-ND2 2.86Å; N324-N365 WeakPolarHBondContact OD1-CA 3.16Å; N324-N365 WeakPolarHBondContact OD1-CB 3.1Å; N324-N365 PolarHBondContact OD1-O 3.22Å; N324-N365 PolarHBondContact OD1-OD1 3.41Å; N324-D448 PolarHBondContact ND2-OD2 3.47Å; N324-G450 WeakPolarHBondContact OD1-CA 3.21Å; N324-P452 PolarHBondContact ND2-O 2.75Å; N324-H454 PolarHBondContact ND2-ND1 2.79Å; N324-H454 PolarHBondContact O-CE1 2.84Å |
| 325 | D | 92 | Very high | 90.5 | Very high | 94 Ų | 94 | 50.7 Ų | 50.7 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | trans | -129.9 | -40.5 | -165.2 | -179.9 | -76.1 | 0 | 0 | 0 | 110.1 | M323 D361 | M323-D325 WeakPolarHBondContact O-CB 3.24Å; M323-D325 PolarHBondContact O-N 3.2Å; D325-D361 PolarHBondContact N-OD2 3.13Å | ||
| 326 | N | 91.6 | Very high | 89.4 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -74.6 | 158.9 | 164.5 | -70.3 | -92.8 | 0 | 0 | 0 | 111.4 | E289 K329 D359 M360 D361 H454 | E289-N326 PolarHBondContact OE2-ND2 3.48Å; N326-K329 PolarHBondContact OD1-NZ 3.43Å; N326-D359 WeakPolarHBondContact CB-OD1 3.42Å; N326-M360 HydrophobicContact CB-CB 4.2Å; N326-D361 WeakPolarHBondContact CB-OD1 3.22Å; N326-D361 PolarHBondContact N-OD1 3.36Å; N326-D361 VanDerWaalsContact N-OD1 3.12Å; N326-D361 PolarHBondContact N-OD2 3.45Å; N326-D361 PolarHBondContact ND2-OD1 3.48Å; N326-H454 PolarHBondContact O-CE1 2.84Å; N326-H454 PolarHBondContact O-ND1 3.33Å |
| 327 | I | 93 | Very high | 88.3 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | trans | -115.4 | 142.6 | 174.7 | -64.3 | 173.2 | 0 | 0 | 0 | 106.8 | K329 D359 H454 I456 | I327-K329 WeakPolarHBondContact O-CD 3.25Å; I327-K329 WeakPolarHBondContact O-CE 3.49Å; I327-K329 PolarHBondContact O-NZ 3.21Å; I327-D359 VanDerWaalsContact C-OD2 3.23Å; I327-H454 HydrophobicContact CB-CB 4.39Å; I327-H454 HydrophobicContact CG1-CB 4.06Å; I327-H454 HydrophobicContact CG2-CB 4.24Å; I327-I456 HydrophobicContact CG2-CG2 3.59Å | ||
| 328 | P | 94.5 | Very high | 88 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | trans | -56.2 | 148.1 | -179.8 | -27.3 | 32.5 | 0 | 0 | 0 | 111.7 | I358 D359 L368 D448 I456 | P328-I358 CarbonylContact C-O 3.56Å; P328-I358 WeakPolarHBondContact CA-O 3.08Å; P328-D359 WeakPolarHBondContact CA-OD2 3.38Å; P328-D359 WeakPolarHBondContact CD-OD2 2.98Å; P328-D359 WeakPolarHBondContact CG-OD2 2.99Å; P328-L368 HydrophobicContact CB-CD2 3.8Å; P328-L368 HydrophobicContact CG-CD2 3.66Å; P328-D448 HydrophobicContact CG-CB 4.22Å; P328-I456 HydrophobicContact CB-CD1 3.91Å; P328-I456 HydrophobicContact CB-CG1 4.15Å; P328-I456 HydrophobicContact CB-CG2 4.45Å; P328-I456 WeakPolarHBondContact O-CD1 3.5Å; P328-I456 WeakPolarHBondContact O-CG2 3.22Å | ||
| 329 | K | 91.8 | Very high | 87.6 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 39% | 0.391 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.3 | 179.8 | -66.9 | 127.3 | -170.6 | 155.7 | 0 | 110.4 | N326 I327 I331 A357 I358 | N326-K329 PolarHBondContact OD1-NZ 3.43Å; I327-K329 WeakPolarHBondContact O-CD 3.25Å; I327-K329 WeakPolarHBondContact O-CE 3.49Å; I327-K329 PolarHBondContact O-NZ 3.21Å; K329-I331 PolarHBondContact O-N 3.43Å; K329-A357 CarbonylContact O-C 3.53Å; K329-A357 WeakPolarHBondContact O-CA 3.39Å; K329-A357 WeakPolarHBondContact O-CB 3.3Å; K329-I358 PolarHBondContact N-O 2.88Å; K329-I358 PolarHBondContact O-N 2.98Å |
| 330 | F | 91.8 | Very high | 87.5 | Confident | 40 Ų | 40 | 65 Ų | 65 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 121.5 | 171.6 | -69.7 | -77.2 | 0 | 0 | 0 | 110.6 | V355 A357 I444 V446 I456 K458 | F330-V355 HydrophobicContact CD1-CG1 3.83Å; F330-V355 HydrophobicContact CE1-CG1 3.69Å; F330-A357 HydrophobicContact CD1-CB 4.4Å; F330-I444 HydrophobicContact CE1-CG2 4.19Å; F330-I444 HydrophobicContact CZ-CG2 4.43Å; F330-V446 HydrophobicContact CD1-CG2 4.42Å; F330-V446 HydrophobicContact CE1-CB 4.5Å; F330-V446 HydrophobicContact CE1-CG2 3.53Å; F330-V446 HydrophobicContact CZ-CB 4.48Å; F330-V446 HydrophobicContact CZ-CG2 3.86Å; F330-I456 HydrophobicContact CD1-CD1 4.28Å; F330-I456 HydrophobicContact CD2-CD1 3.31Å; F330-I456 HydrophobicContact CD2-CG1 4.1Å; F330-I456 HydrophobicContact CE1-CD1 4.25Å; F330-I456 HydrophobicContact CE2-CB 3.99Å; F330-I456 HydrophobicContact CE2-CD1 3.25Å; F330-I456 HydrophobicContact CE2-CG1 3.51Å; F330-I456 HydrophobicContact CG-CD1 3.84Å; F330-I456 HydrophobicContact CZ-CD1 3.76Å; F330-I456 HydrophobicContact CZ-CG1 3.86Å; F330-K458 HydrophobicContact CB-CD 4.46Å; F330-K458 HydrophobicContact CD1-CD 4.38Å; F330-K458 HydrophobicContact CD2-CB 4.07Å; F330-K458 HydrophobicContact CD2-CD 3.84Å; F330-K458 HydrophobicContact CE1-CB 4.18Å; F330-K458 HydrophobicContact CE2-CB 3.48Å; F330-K458 VanDerWaalsContact CE2-CB 3.48Å; F330-K458 HydrophobicContact CE2-CD 4.14Å; F330-K458 HydrophobicContact CE2-CG 4.46Å; F330-K458 HydrophobicContact CG-CD 3.99Å; F330-K458 HydrophobicContact CZ-CB 3.55Å |
| 331 | I | 91.4 | Very high | 87.4 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 42% | 0.415 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -40 | 164.8 | -65.8 | -172.5 | 0 | 0 | 0 | 109.8 | K329 I334 E356 I358 | K329-I331 PolarHBondContact O-N 3.43Å; I331-I334 WeakPolarHBondContact O-CG1 3.41Å; I331-E356 HydrophobicContact CB-CB 4.39Å; I331-E356 PolarHBondContact N-O 2.98Å; I331-I358 HydrophobicContact CD1-CB 4.3Å; I331-I358 HydrophobicContact CD1-CD1 4.05Å; I331-I358 HydrophobicContact CD1-CG1 3.92Å; I331-I358 HydrophobicContact CD1-CG2 3.52Å; I331-I358 HydrophobicContact CG1-CD1 4.42Å; I331-I358 HydrophobicContact CG1-CG1 4.02Å; I331-I358 HydrophobicContact CG1-CG2 4.32Å |
| 332 | F | 89.3 | Confident | 87.3 | Confident | 81 Ų | 81 | 66.3 Ų | 66.3 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 131.7 | 179.3 | -171.2 | -99.8 | 0 | 0 | 0 | 112.2 | Y338 L353 K354 E356 | F332-Y338 HydrophobicContact CZ-CE2 4.3Å; F332-L353 HydrophobicContact CE1-CD1 3.67Å; F332-L353 HydrophobicContact CE1-CG 4.13Å; F332-L353 HydrophobicContact CZ-CD1 4.22Å; F332-K354 WeakPolarHBondContact CD1-O 3.47Å; F332-E356 HydrophobicContact CB-CB 4.23Å; F332-E356 PolarHBondContact N-O 3.09Å; F332-E356 PolarHBondContact O-N 2.63Å |
| 333 | P | 88 | Confident | 87.2 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | cis | -72.5 | 149.9 | -4.5 | 29 | -32.7 | 0 | 0 | 0 | 112.7 | Y338 L353 K458 L460 | P333-Y338 HydrophobicContact CB-CD1 4.2Å; P333-Y338 HydrophobicContact CB-CD2 3.41Å; P333-Y338 VanDerWaalsContact CB-CD2 3.41Å; P333-Y338 HydrophobicContact CB-CE2 4.03Å; P333-Y338 HydrophobicContact CB-CG 3.5Å; P333-Y338 VanDerWaalsContact CB-CG 3.5Å; P333-Y338 HydrophobicContact CG-CD1 4.26Å; P333-Y338 HydrophobicContact CG-CD2 4.27Å; P333-Y338 HydrophobicContact CG-CG 3.84Å; P333-L353 HydrophobicContact CG-CD2 4.45Å; P333-K458 HydrophobicContact CG-CD 4.31Å; P333-K458 WeakPolarHBondContact O-CE 3.28Å; P333-K458 PolarHBondContact O-NZ 3.36Å; P333-L460 HydrophobicContact CG-CD2 3.67Å |
| 334 | I | 80.4 | Confident | 87.1 | Confident | 131 Ų | 131 | 65.9 Ų | 65.9 | 67% | 0.672 | 33% | 0.327 | S | S | * | . | trans | -79.8 | -48.7 | -178.7 | -59.1 | 172.5 | 0 | 0 | 0 | 111.3 | I331 K458 | I331-I334 WeakPolarHBondContact O-CG1 3.41Å; I334-K458 VanDerWaalsContact C-NZ 3.27Å; I334-K458 PolarHBondContact O-NZ 2.88Å | ||
| 335 | E | 75 | Confident | 86.9 | Confident | 137 Ų | 137 | 70.5 Ų | 70.5 | 64% | 0.64 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -63.9 | 144.2 | -172.5 | -59.1 | -176 | 170.6 | 0 | 0 | 112.6 | Y337 K458 | E335-Y337 PolarHBondContact O-N 2.04Å; E335-K458 WeakPolarHBondContact O-CE 3.35Å; E335-K458 PolarHBondContact O-NZ 3.19Å |
| 336 | N | 65.2 | Low | 86.7 | Confident | 135 Ų | 135 | 68.3 Ų | 68.3 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -65.4 | -25.5 | -174.5 | -73.6 | -4.3 | 0 | 0 | 0 | 113.9 | ||
| 337 | Y | 66.8 | Low | 86.6 | Confident | 157 Ų | 157 | 70.9 Ų | 70.9 | 62% | 0.616 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -125.6 | 105.4 | 170.9 | -64 | -88.1 | 0 | 0 | 0 | 107.1 | E335 M1149 | E335-Y337 PolarHBondContact O-N 2.04Å; Y337-M1149 HydrophobicContact CE1-CE 3.97Å; Y337-M1149 WeakPolarHBondContact OH-CE 3.39Å |
| 338 | Y | 82.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.6 | 174.3 | -175.4 | -93.8 | 0 | 0 | 0 | 108.8 | F332 P333 M340 L353 L460 L461 | F332-Y338 HydrophobicContact CZ-CE2 4.3Å; P333-Y338 HydrophobicContact CB-CD1 4.2Å; P333-Y338 HydrophobicContact CB-CD2 3.41Å; P333-Y338 VanDerWaalsContact CB-CD2 3.41Å; P333-Y338 HydrophobicContact CB-CE2 4.03Å; P333-Y338 HydrophobicContact CB-CG 3.5Å; P333-Y338 VanDerWaalsContact CB-CG 3.5Å; P333-Y338 HydrophobicContact CG-CD1 4.26Å; P333-Y338 HydrophobicContact CG-CD2 4.27Å; P333-Y338 HydrophobicContact CG-CG 3.84Å; Y338-M340 HydrophobicContact CE1-CB 4.25Å; Y338-L353 HydrophobicContact CD1-CD2 4.26Å; Y338-L353 HydrophobicContact CE1-CD1 3.63Å; Y338-L353 HydrophobicContact CE1-CD2 4.06Å; Y338-L460 HydrophobicContact CD1-CD2 4.06Å; Y338-L460 HydrophobicContact CG-CD2 4.36Å; Y338-L460 WeakPolarHBondContact O-CA 3.32Å; Y338-L461 PolarHBondContact O-N 3.27Å |
| 339 | S | 85.4 | Confident | 86 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 41% | 0.413 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.6 | -179.9 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | L461 N463 | S339-L461 WeakPolarHBondContact CA-O 3.31Å; S339-L461 WeakPolarHBondContact CB-O 3.13Å; S339-L461 PolarHBondContact OG-O 2.57Å; S339-N463 PolarHBondContact OG-ND2 3.3Å |
| 340 | M | 90 | Very high | 85.9 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.5 | -176.7 | -174.7 | 172.7 | 76.5 | 0 | 0 | 109.6 | Y338 V342 L352 L461 F462 N463 | Y338-M340 HydrophobicContact CE1-CB 4.25Å; M340-V342 HydrophobicContact CE-CG2 4.11Å; M340-L352 HydrophobicContact CE-CB 3.88Å; M340-L352 HydrophobicContact CE-CD2 4.49Å; M340-L352 WeakPolarHBondContact CE-O 3.43Å; M340-L461 PolarHBondContact N-O 3.33Å; M340-L461 VanDerWaalsContact N-O 3.16Å; M340-F462 HydrophobicContact CE-CD1 4.07Å; M340-F462 HydrophobicContact CE-CE1 3.78Å; M340-F462 CarbonylContact O-C 3.58Å; M340-F462 WeakPolarHBondContact O-CA 3.41Å; M340-N463 PolarHBondContact O-N 3.27Å |
| 341 | N | 91.6 | Very high | 85.9 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.5 | 177.9 | -59 | -6.7 | 0 | 0 | 0 | 109.9 | N463 I465 | N341-N463 CarbonylContact C-O 3.58Å; N341-N463 WeakPolarHBondContact CA-O 3.32Å; N341-N463 PolarHBondContact OD1-ND2 3.44Å; N341-I465 HydrophobicContact CB-CD1 3.86Å; N341-I465 HydrophobicContact CB-CG1 4.15Å |
| 342 | V | 91.2 | Very high | 85.9 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.3 | -174.7 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | M340 L346 L352 L432 F462 N463 I464 I465 | M340-V342 HydrophobicContact CE-CG2 4.11Å; V342-L346 HydrophobicContact CG1-CD1 3.65Å; V342-L352 HydrophobicContact CG1-CD2 4.06Å; V342-L352 HydrophobicContact CG2-CD2 4.42Å; V342-L432 HydrophobicContact CB-CD1 4.42Å; V342-L432 HydrophobicContact CG1-CD1 3.62Å; V342-F462 HydrophobicContact CG2-CB 4Å; V342-F462 HydrophobicContact CG2-CD1 3.59Å; V342-F462 HydrophobicContact CG2-CE1 4.45Å; V342-F462 HydrophobicContact CG2-CG 4.13Å; V342-N463 PolarHBondContact N-O 2.93Å; V342-I464 CarbonylContact O-C 3.51Å; V342-I464 VanDerWaalsContact O-CA 3.3Å; V342-I464 WeakPolarHBondContact O-CA 3.43Å; V342-I465 PolarHBondContact O-N 2.83Å |
| 343 | S | 91.6 | Very high | 86 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.5 | 179.6 | -139 | 0 | 0 | 0 | 0 | 110.7 | N345 L346 | S343-N345 WeakPolarHBondContact CB-OD1 3.32Å; S343-N345 PolarHBondContact O-N 3.39Å; S343-N345 PolarHBondContact OG-OD1 2.9Å; S343-L346 WeakPolarHBondContact O-CB 3.39Å; S343-L346 WeakPolarHBondContact O-CG 3.39Å; S343-L346 PolarHBondContact O-N 3.1Å |
| 344 | E | 91.1 | Very high | 86.1 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.1 | -173.3 | 76.3 | -172.5 | 136 | 0 | 0 | 113.8 | L346 L432 A434 I464 I465 D466 I467 N469 | E344-L346 PolarHBondContact O-N 3.12Å; E344-L432 HydrophobicContact CB-CB 4.26Å; E344-A434 WeakPolarHBondContact OE2-CB 3.3Å; E344-A434 PolarHBondContact OE2-N 3Å; E344-I464 HydrophobicContact CB-CG2 3.8Å; E344-I465 PolarHBondContact N-O 3.27Å; E344-I465 VanDerWaalsContact N-O 3.11Å; E344-D466 WeakPolarHBondContact OE1-CA 3.49Å; E344-I467 PolarHBondContact OE1-N 2.84Å; E344-N469 PolarHBondContact OE1-ND2 3.46Å; E344-N469 VanDerWaalsContact OE1-ND2 3.07Å |
| 345 | N | 89.2 | Confident | 86.7 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 57% | 0.572 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 9.2 | 177.6 | 74.9 | -19.6 | 0 | 0 | 0 | 115 | S343 I467 | S343-N345 WeakPolarHBondContact CB-OD1 3.32Å; S343-N345 PolarHBondContact O-N 3.39Å; S343-N345 PolarHBondContact OG-OD1 2.9Å; N345-I467 HydrophobicContact CB-CD1 3.77Å; N345-I467 WeakPolarHBondContact ND2-CD1 3.32Å; N345-I467 WeakPolarHBondContact OD1-CD1 3.2Å |
| 346 | L | 89.7 | Confident | 87.5 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 137.9 | 179.2 | -78.9 | 169.7 | 0 | 0 | 0 | 111.3 | V342 S343 E344 L428 | V342-L346 HydrophobicContact CG1-CD1 3.65Å; S343-L346 WeakPolarHBondContact O-CB 3.39Å; S343-L346 WeakPolarHBondContact O-CG 3.39Å; S343-L346 PolarHBondContact O-N 3.1Å; E344-L346 PolarHBondContact O-N 3.12Å; L346-L428 HydrophobicContact CB-CD2 3.94Å; L346-L428 VanDerWaalsContact O-CD2 3.32Å; L346-L428 WeakPolarHBondContact O-CD2 3.09Å |
| 347 | P | 88.6 | Confident | 88.8 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 142.9 | -177.4 | 28.1 | -32.8 | 0 | 0 | 0 | 111.7 | G349 T350 | P347-G349 PolarHBondContact O-N 3.34Å; P347-T350 WeakPolarHBondContact O-CB 3.46Å; P347-T350 PolarHBondContact O-N 2.85Å; P347-T350 PolarHBondContact O-OG1 2.98Å |
| 348 | I | 89 | Confident | 90.1 | Very high | 101 Ų | 101 | 52.5 Ų | 52.5 | 52% | 0.518 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137.9 | 172 | -63.2 | 172.9 | 0 | 0 | 0 | 109.9 | N429 L431 | I348-N429 WeakPolarHBondContact CG2-O 3.45Å; I348-L431 HydrophobicContact CD1-CG 4.38Å |
| 349 | G | 85.9 | Confident | 90.6 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -7.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P347 L351 L428 | P347-G349 PolarHBondContact O-N 3.34Å; G349-L351 PolarHBondContact O-N 2.85Å; G349-L428 WeakPolarHBondContact CA-O 3.37Å; G349-L428 PolarHBondContact N-O 2.95Å |
| 350 | T | 90.4 | Very high | 91.1 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | trans | -56.7 | 127.7 | 175.7 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | P347 L352 R427 L428 | P347-T350 WeakPolarHBondContact O-CB 3.46Å; P347-T350 PolarHBondContact O-N 2.85Å; P347-T350 PolarHBondContact O-OG1 2.98Å; T350-L352 HydrophobicContact CG2-CD2 4.13Å; T350-L352 PolarHBondContact O-N 2.99Å; T350-R427 CarbonylContact O-C 3.5Å; T350-R427 VanDerWaalsContact O-CA 3.23Å; T350-R427 WeakPolarHBondContact O-CA 3.48Å; T350-L428 PolarHBondContact O-N 2.77Å | ||
| 351 | L | 91.3 | Very high | 91.3 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 120.7 | 170.1 | 178 | 65.5 | 0 | 0 | 0 | 109.5 | G349 L353 E425 R427 | G349-L351 PolarHBondContact O-N 2.85Å; L351-L353 WeakPolarHBondContact CD1-O 3.5Å; L351-E425 HydrophobicContact CD1-CB 3.77Å; L351-E425 HydrophobicContact CD1-CG 3.77Å; L351-R427 HydrophobicContact CD1-CG 4.06Å |
| 352 | L | 91.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -47.7 | -177.3 | -62.6 | 174.4 | 0 | 0 | 0 | 111.2 | M340 V342 T350 F417 I426 L428 F462 | M340-L352 HydrophobicContact CE-CB 3.88Å; M340-L352 HydrophobicContact CE-CD2 4.49Å; M340-L352 WeakPolarHBondContact CE-O 3.43Å; V342-L352 HydrophobicContact CG1-CD2 4.06Å; V342-L352 HydrophobicContact CG2-CD2 4.42Å; T350-L352 HydrophobicContact CG2-CD2 4.13Å; T350-L352 PolarHBondContact O-N 2.99Å; L352-F417 HydrophobicContact CD1-CD1 3.37Å; L352-F417 HydrophobicContact CD1-CE1 3.41Å; L352-F417 VanDerWaalsContact CD1-CE1 3.41Å; L352-I426 PolarHBondContact N-O 3.12Å; L352-L428 HydrophobicContact CD1-CB 4.21Å; L352-L428 HydrophobicContact CD1-CD1 4.49Å; L352-L428 HydrophobicContact CG-CB 4.5Å; L352-F462 HydrophobicContact CB-CE1 4.42Å; L352-F462 HydrophobicContact CD1-CE1 4.36Å; L352-F462 HydrophobicContact CD1-CZ 4.41Å |
| 353 | L | 90.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156 | -179 | -157.2 | 71.5 | 0 | 0 | 0 | 109.6 | F332 P333 Y338 L351 I426 L460 | F332-L353 HydrophobicContact CE1-CD1 3.67Å; F332-L353 HydrophobicContact CE1-CG 4.13Å; F332-L353 HydrophobicContact CZ-CD1 4.22Å; P333-L353 HydrophobicContact CG-CD2 4.45Å; Y338-L353 HydrophobicContact CD1-CD2 4.26Å; Y338-L353 HydrophobicContact CE1-CD1 3.63Å; Y338-L353 HydrophobicContact CE1-CD2 4.06Å; L351-L353 WeakPolarHBondContact CD1-O 3.5Å; L353-I426 HydrophobicContact CB-CB 4.44Å; L353-I426 PolarHBondContact N-O 3.3Å; L353-I426 PolarHBondContact O-N 2.92Å; L353-L460 HydrophobicContact CD2-CD1 3.55Å; L353-L460 HydrophobicContact CD2-CD2 4.4Å |
| 354 | K | 90.7 | Very high | 91.2 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.9 | 160.3 | -174.4 | -163.1 | 171.4 | -158 | 0 | 107.9 | F332 E356 N423 E425 | F332-K354 WeakPolarHBondContact CD1-O 3.47Å; K354-E356 HydrophobicContact CD-CG 4.27Å; K354-E356 WeakPolarHBondContact CE-OE1 3.24Å; K354-E356 IonicContact NZ-OE1 3.01Å; K354-E356 PolarHBondContact NZ-OE1 2.68Å; K354-N423 WeakPolarHBondContact CE-O 3.39Å; K354-N423 WeakPolarHBondContact CG-O 3.15Å; K354-E425 HydrophobicContact CB-CG 4.46Å; K354-E425 HydrophobicContact CG-CG 4.15Å |
| 355 | V | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -79.1 | 136.5 | 173.6 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | F330 Y370 I419 G424 I426 I444 | F330-V355 HydrophobicContact CD1-CG1 3.83Å; F330-V355 HydrophobicContact CE1-CG1 3.69Å; V355-Y370 HydrophobicContact CB-CD1 4.12Å; V355-Y370 HydrophobicContact CB-CE1 4.07Å; V355-Y370 HydrophobicContact CG1-CD1 4.09Å; V355-Y370 HydrophobicContact CG1-CE1 3.87Å; V355-I419 HydrophobicContact CG2-CD1 4.05Å; V355-G424 WeakPolarHBondContact CG2-O 3.35Å; V355-G424 PolarHBondContact N-O 3.18Å; V355-I426 HydrophobicContact CG2-CD1 3.59Å; V355-I426 HydrophobicContact CG2-CG1 4.04Å; V355-I444 HydrophobicContact CB-CD1 4.48Å; V355-I444 HydrophobicContact CG1-CD1 4.19Å; V355-I444 HydrophobicContact CG1-CG2 4.19Å; V355-I444 HydrophobicContact CG2-CD1 3.41Å; V355-I444 VanDerWaalsContact CG2-CD1 3.41Å; V355-I444 HydrophobicContact CG2-CG1 4.13Å; V355-I444 HydrophobicContact CG2-CG2 4.26Å | ||
| 356 | E | 91.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 36% | 0.36 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.6 | 174.2 | -58.6 | -167.2 | 151.3 | 0 | 0 | 110.1 | I331 F332 K354 | I331-E356 HydrophobicContact CB-CB 4.39Å; I331-E356 PolarHBondContact N-O 2.98Å; F332-E356 HydrophobicContact CB-CB 4.23Å; F332-E356 PolarHBondContact N-O 3.09Å; F332-E356 PolarHBondContact O-N 2.63Å; K354-E356 HydrophobicContact CD-CG 4.27Å; K354-E356 WeakPolarHBondContact CE-OE1 3.24Å; K354-E356 IonicContact NZ-OE1 3.01Å; K354-E356 PolarHBondContact NZ-OE1 2.68Å |
| 357 | A | 92.6 | Very high | 91.6 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 160.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K329 F330 L368 Y370 V446 | K329-A357 CarbonylContact O-C 3.53Å; K329-A357 WeakPolarHBondContact O-CA 3.39Å; K329-A357 WeakPolarHBondContact O-CB 3.3Å; F330-A357 HydrophobicContact CD1-CB 4.4Å; A357-L368 VanDerWaalsContact C-CD1 3.45Å; A357-L368 HydrophobicContact CB-CD1 3.72Å; A357-L368 WeakPolarHBondContact O-CD1 3.34Å; A357-Y370 PolarHBondContact N-OH 2.9Å; A357-V446 HydrophobicContact CB-CG1 4.12Å; A357-V446 HydrophobicContact CB-CG2 4.46Å |
| 358 | I | 94 | Very high | 91.8 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.5 | 172 | 53.4 | 166.3 | 0 | 0 | 0 | 110.2 | P328 K329 I331 M360 | P328-I358 CarbonylContact C-O 3.56Å; P328-I358 WeakPolarHBondContact CA-O 3.08Å; K329-I358 PolarHBondContact N-O 2.88Å; K329-I358 PolarHBondContact O-N 2.98Å; I331-I358 HydrophobicContact CD1-CB 4.3Å; I331-I358 HydrophobicContact CD1-CD1 4.05Å; I331-I358 HydrophobicContact CD1-CG1 3.92Å; I331-I358 HydrophobicContact CD1-CG2 3.52Å; I331-I358 HydrophobicContact CG1-CD1 4.42Å; I331-I358 HydrophobicContact CG1-CG1 4.02Å; I331-I358 HydrophobicContact CG1-CG2 4.32Å; I358-M360 HydrophobicContact CD1-SD 4.39Å |
| 359 | D | 95.1 | Very high | 92 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | trans | -112.6 | 167.5 | 150.9 | -136.2 | -47.3 | 0 | 0 | 0 | 110.6 | N326 I327 P328 L368 | N326-D359 WeakPolarHBondContact CB-OD1 3.42Å; I327-D359 VanDerWaalsContact C-OD2 3.23Å; P328-D359 WeakPolarHBondContact CA-OD2 3.38Å; P328-D359 WeakPolarHBondContact CD-OD2 2.98Å; P328-D359 WeakPolarHBondContact CG-OD2 2.99Å; D359-L368 HydrophobicContact CB-CD2 4.28Å | ||
| 360 | M | 94.7 | Very high | 92.4 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 47% | 0.473 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -102.9 | -26.6 | 178.9 | -64.1 | -61.2 | -47.4 | 0 | 0 | 113.1 | E289 N326 I358 | E289-M360 HydrophobicContact CG-CB 3.72Å; N326-M360 HydrophobicContact CB-CB 4.2Å; I358-M360 HydrophobicContact CD1-SD 4.39Å |
| 361 | D | 94.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -61.9 | -175 | 176.7 | -60.5 | -4.8 | 0 | 0 | 0 | 111.5 | N324 D325 N326 N365 S366 | N324-D361 VanDerWaalsContact CA-OD2 3.28Å; N324-D361 WeakPolarHBondContact CA-OD2 3.41Å; D325-D361 PolarHBondContact N-OD2 3.13Å; N326-D361 WeakPolarHBondContact CB-OD1 3.22Å; N326-D361 PolarHBondContact N-OD1 3.36Å; N326-D361 VanDerWaalsContact N-OD1 3.12Å; N326-D361 PolarHBondContact N-OD2 3.45Å; N326-D361 PolarHBondContact ND2-OD1 3.48Å; D361-N365 HydrophobicContact CB-CB 3.62Å; D361-S366 WeakPolarHBondContact O-CB 3.14Å; D361-S366 PolarHBondContact O-OG 3.34Å |
| 362 | S | 90.3 | Very high | 92.6 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | trans | -125.2 | 146.4 | -172.8 | -74.1 | 0 | 0 | 0 | 0 | 117.4 | Y288 D322 E364 N365 S366 | Y288-S362 WeakPolarHBondContact CE1-OG 3.46Å; D322-S362 VanDerWaalsContact OD1-CB 3.29Å; D322-S362 WeakPolarHBondContact OD1-CB 3.05Å; D322-S362 PolarHBondContact OD1-N 3.26Å; D322-S362 PolarHBondContact OD2-N 3.4Å; S362-E364 PolarHBondContact O-N 3.15Å; S362-E364 VanDerWaalsContact O-N 3.15Å; S362-N365 PolarHBondContact O-N 3.15Å; S362-S366 WeakPolarHBondContact CA-OG 3.49Å | ||
| 363 | G | 91.8 | Very high | 92.5 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 61% | 0.608 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | -105.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | S366 R367 | G363-S366 PolarHBondContact N-OG 3.28Å; G363-R367 PolarHBondContact O-N 3.45Å |
| 364 | E | 91.1 | Very high | 92 | Very high | 98 Ų | 98 | 47.4 Ų | 47.4 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -34.7 | 176.2 | -65.8 | -68.3 | 139.8 | 0 | 0 | 111.4 | S362 S366 R367 N449 | S362-E364 PolarHBondContact O-N 3.15Å; S362-E364 VanDerWaalsContact O-N 3.15Å; E364-S366 PolarHBondContact O-N 3.21Å; E364-R367 PolarHBondContact O-N 2.72Å; E364-R367 VanDerWaalsContact O-N 3.13Å; E364-R367 IonicContact OE1-CZ 3.19Å; E364-R367 IonicContact OE1-NH1 3.93Å; E364-R367 PolarHBondContact OE1-NH1 3.26Å; E364-R367 IonicContact OE1-NH2 2.68Å; E364-R367 IonicContact OE2-CZ 2.88Å; E364-R367 IonicContact OE2-NH1 2.72Å; E364-R367 PolarHBondContact OE2-NH1 3.28Å; E364-R367 VanDerWaalsContact OE2-NH1 3.09Å; E364-R367 IonicContact OE2-NH2 2.67Å; E364-R367 PolarHBondContact OE2-NH2 3.26Å; E364-N449 CarbonylContact O-C 3.56Å; E364-N449 WeakPolarHBondContact O-CB 3.28Å; E364-N449 PolarHBondContact O-N 2.63Å |
| 365 | N | 91.9 | Very high | 90.9 | Very high | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24 | -179.7 | -66.9 | -16.8 | 0 | 0 | 0 | 112.4 | D322 N324 D361 S362 D448 G450 | D322-N365 PolarHBondContact OD2-ND2 3.28Å; N324-N365 HydrophobicContact CB-CB 4.37Å; N324-N365 PolarHBondContact N-ND2 2.86Å; N324-N365 WeakPolarHBondContact OD1-CA 3.16Å; N324-N365 WeakPolarHBondContact OD1-CB 3.1Å; N324-N365 PolarHBondContact OD1-O 3.22Å; N324-N365 PolarHBondContact OD1-OD1 3.41Å; D361-N365 HydrophobicContact CB-CB 3.62Å; S362-N365 PolarHBondContact O-N 3.15Å; N365-D448 VanDerWaalsContact O-CB 3.24Å; N365-D448 WeakPolarHBondContact O-CB 3.1Å; N365-G450 WeakPolarHBondContact OD1-CA 3.16Å |
| 366 | S | 92.9 | Very high | 89.2 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 7.9 | 171.7 | 51.9 | 0 | 0 | 0 | 0 | 115.5 | D361 S362 G363 E364 L368 | D361-S366 WeakPolarHBondContact O-CB 3.14Å; D361-S366 PolarHBondContact O-OG 3.34Å; S362-S366 WeakPolarHBondContact CA-OG 3.49Å; G363-S366 PolarHBondContact N-OG 3.28Å; E364-S366 PolarHBondContact O-N 3.21Å; S366-L368 PolarHBondContact O-N 3.01Å; S366-L368 VanDerWaalsContact O-N 3.13Å |
| 367 | R | 93 | Very high | 87.1 | Confident | 117 Ų | 117 | 52.4 Ų | 52.4 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | trans | -80.2 | 100.4 | 174.7 | -170.6 | 176.5 | 71.7 | -136.1 | -10.2 | 110.3 | G363 E364 D448 N449 | G363-R367 PolarHBondContact O-N 3.45Å; E364-R367 PolarHBondContact O-N 2.72Å; E364-R367 VanDerWaalsContact O-N 3.13Å; E364-R367 IonicContact OE1-CZ 3.19Å; E364-R367 IonicContact OE1-NH1 3.93Å; E364-R367 PolarHBondContact OE1-NH1 3.26Å; E364-R367 IonicContact OE1-NH2 2.68Å; E364-R367 IonicContact OE2-CZ 2.88Å; E364-R367 IonicContact OE2-NH1 2.72Å; E364-R367 PolarHBondContact OE2-NH1 3.28Å; E364-R367 VanDerWaalsContact OE2-NH1 3.09Å; E364-R367 IonicContact OE2-NH2 2.67Å; E364-R367 PolarHBondContact OE2-NH2 3.26Å; R367-D448 CarbonylContact O-C 3.09Å; R367-N449 HydrophobicContact CB-CB 4.42Å; R367-N449 PolarHBondContact NH2-ND2 3.46Å; R367-N449 PolarHBondContact O-N 2.85Å; R367-N449 PolarHBondContact O-OD1 3.03Å | ||
| 368 | L | 93.5 | Very high | 84.8 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | trans | -76.4 | 135.5 | -178.5 | -57.4 | -176.1 | 0 | 0 | 0 | 113.6 | P328 A357 D359 S366 Y370 V446 N447 D448 | P328-L368 HydrophobicContact CB-CD2 3.8Å; P328-L368 HydrophobicContact CG-CD2 3.66Å; A357-L368 VanDerWaalsContact C-CD1 3.45Å; A357-L368 HydrophobicContact CB-CD1 3.72Å; A357-L368 WeakPolarHBondContact O-CD1 3.34Å; D359-L368 HydrophobicContact CB-CD2 4.28Å; S366-L368 PolarHBondContact O-N 3.01Å; S366-L368 VanDerWaalsContact O-N 3.13Å; L368-Y370 HydrophobicContact CB-CE2 4.12Å; L368-V446 HydrophobicContact CB-CG1 4.02Å; L368-V446 HydrophobicContact CD1-CG1 4.07Å; L368-V446 HydrophobicContact CD2-CG1 4.21Å; L368-V446 HydrophobicContact CG-CG1 4.33Å; L368-N447 CarbonylContact C-O 3.58Å; L368-N447 VanDerWaalsContact CA-O 3.26Å; L368-N447 WeakPolarHBondContact CA-O 3.35Å; L368-D448 HydrophobicContact CD2-CB 4.36Å | ||
| 369 | T | 93.3 | Very high | 82.2 | Confident | 47 Ų | 47 | 63 Ų | 63 | 29% | 0.288 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.5 | 169.4 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | P421 N447 N449 | T369-P421 HydrophobicContact CG2-CB 4.38Å; T369-N447 PolarHBondContact N-O 3.07Å; T369-N447 PolarHBondContact O-N 3Å; T369-N449 PolarHBondContact OG1-OD1 3.17Å |
| 370 | Y | 93.8 | Very high | 79.2 | Confident | 20 Ų | 20 | 71.5 Ų | 71.5 | 8% | 0.078 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 142.1 | -178.3 | -62.2 | -103.9 | 0 | 0 | 0 | 111.2 | V355 A357 L368 P421 V446 | V355-Y370 HydrophobicContact CB-CD1 4.12Å; V355-Y370 HydrophobicContact CB-CE1 4.07Å; V355-Y370 HydrophobicContact CG1-CD1 4.09Å; V355-Y370 HydrophobicContact CG1-CE1 3.87Å; A357-Y370 PolarHBondContact N-OH 2.9Å; L368-Y370 HydrophobicContact CB-CE2 4.12Å; Y370-P421 PolarHBondContact N-O 3.08Å; Y370-P421 VanDerWaalsContact O-CA 3.26Å; Y370-P421 WeakPolarHBondContact O-CA 3.34Å; Y370-P421 WeakPolarHBondContact O-CB 3.15Å; Y370-V446 HydrophobicContact CD1-CG1 4.41Å; Y370-V446 HydrophobicContact CD1-CG2 3.58Å; Y370-V446 HydrophobicContact CE1-CG1 4.27Å; Y370-V446 HydrophobicContact CE1-CG2 3.76Å; Y370-V446 HydrophobicContact CG-CG2 4.38Å |
| 371 | S | 93.6 | Very high | 76.4 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 33% | 0.329 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 169 | 169.1 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | H445 | S371-H445 PolarHBondContact N-O 2.92Å; S371-H445 PolarHBondContact O-N 3.14Å; S371-H445 VanDerWaalsContact O-O 3.07Å; S371-H445 WeakPolarHBondContact OG-CB 3.21Å |
| 372 | L | 91.8 | Very high | 73.2 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 161.9 | 172.2 | 66.9 | 70.2 | 0 | 0 | 0 | 110.7 | F417 I419 I442 T443 | L372-F417 HydrophobicContact CD2-CB 4.14Å; L372-I419 HydrophobicContact CB-CG2 4.05Å; L372-I419 HydrophobicContact CD2-CB 4Å; L372-I419 HydrophobicContact CD2-CG2 4.14Å; L372-I419 HydrophobicContact CG-CB 4.28Å; L372-I419 HydrophobicContact CG-CG2 3.84Å; L372-I442 HydrophobicContact CD2-CD1 3.87Å; L372-T443 CarbonylContact C-O 3.46Å; L372-T443 WeakPolarHBondContact CA-O 3.03Å |
| 373 | T | 88.6 | Confident | 70.4 | Confident | 62 Ų | 62 | 83.3 Ų | 83.3 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.7 | 162.7 | 43.9 | 0 | 0 | 0 | 0 | 108.3 | I442 T443 H445 | T373-I442 CarbonylContact O-C 3.56Å; T373-I442 WeakPolarHBondContact O-CA 3.29Å; T373-T443 PolarHBondContact N-O 3.23Å; T373-T443 PolarHBondContact O-N 2.93Å; T373-T443 PolarHBondContact OG1-O 2.8Å; T373-H445 PolarHBondContact OG1-NE2 3.08Å |
| 374 | Q | 82.1 | Confident | 67.5 | Low | 24 Ų | 24 | 85.8 Ų | 85.8 | 11% | 0.112 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.3 | 177.8 | -177.3 | 170.2 | -49.1 | 0 | 0 | 110.6 | S376 D415 Q416 I440 I442 | Q374-S376 PolarHBondContact O-N 2.91Å; Q374-D415 WeakPolarHBondContact CB-OD1 3.34Å; Q374-Q416 VanDerWaalsContact OE1-N 3.07Å; Q374-I440 HydrophobicContact CG-CG2 3.92Å; Q374-I442 HydrophobicContact CB-CG2 4.07Å; Q374-I442 HydrophobicContact CG-CG2 4.02Å |
| 375 | N | 67 | Low | 64.8 | Low | 57 Ų | 57 | 88.5 Ų | 88.5 | 31% | 0.305 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 90.2 | 174.9 | -74.7 | -14 | 0 | 0 | 0 | 108.9 | F377 E441 | N375-F377 VanDerWaalsContact C-N 3.27Å; N375-F377 HydrophobicContact CB-CD2 3.98Å; N375-F377 HydrophobicContact CB-CE2 3.61Å; N375-F377 HydrophobicContact CB-CZ 4.29Å; N375-F377 VanDerWaalsContact O-CD2 3.25Å; N375-F377 WeakPolarHBondContact O-CD2 3.38Å; N375-F377 PolarHBondContact O-N 3.1Å; N375-E441 HydrophobicContact CB-CB 4.4Å; N375-E441 PolarHBondContact N-O 3.13Å; N375-E441 PolarHBondContact ND2-OE2 3.36Å |
| 376 | S | 54.9 | Low | 62.1 | Low | 88 Ų | 88 | 94.7 Ų | 94.7 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | trans | -69.9 | 75.8 | -178.7 | -75.7 | 0 | 0 | 0 | 0 | 113 | Q374 R378 | Q374-S376 PolarHBondContact O-N 2.91Å; S376-R378 PolarHBondContact O-N 3.18Å | ||
| 377 | F | 47.6 | Very low | 59.4 | Low | 124 Ų | 124 | 98.6 Ų | 98.6 | 54% | 0.544 | 50% | 0.495 | S | S | . | . | trans | -70 | 38.1 | 173.5 | -70.2 | -71.6 | 0 | 0 | 0 | 114 | N375 K379 E441 | N375-F377 VanDerWaalsContact C-N 3.27Å; N375-F377 HydrophobicContact CB-CD2 3.98Å; N375-F377 HydrophobicContact CB-CE2 3.61Å; N375-F377 HydrophobicContact CB-CZ 4.29Å; N375-F377 VanDerWaalsContact O-CD2 3.25Å; N375-F377 WeakPolarHBondContact O-CD2 3.38Å; N375-F377 PolarHBondContact O-N 3.1Å; F377-K379 PolarHBondContact O-N 2.92Å; F377-E441 HydrophobicContact CE2-CB 4.36Å | ||
| 378 | R | 45.5 | Very low | 56.5 | Low | 128 Ų | 128 | 100 Ų | 100 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | trans | -69 | 106.2 | 167 | -87.5 | -175.7 | 168.3 | 161.5 | -6 | 108.3 | S376 K380 E436 | S376-R378 PolarHBondContact O-N 3.18Å; R378-K380 PolarHBondContact O-N 2.98Å; R378-E436 IonicContact CZ-OE2 3.24Å; R378-E436 IonicContact NE-OE2 3.23Å; R378-E436 PolarHBondContact NE-OE2 3.23Å; R378-E436 IonicContact NH2-OE1 3.28Å; R378-E436 PolarHBondContact NH2-OE1 2.73Å; R378-E436 IonicContact NH2-OE2 2.68Å; R378-E436 PolarHBondContact NH2-OE2 2.85Å | ||
| 379 | K | 39.7 | Very low | 53.8 | Low | 183 Ų | 183 | 106.2 Ų | 106.2 | 80% | 0.796 | 54% | 0.539 | S | S | * | . | trans | -50.1 | 133.9 | 162 | -88.5 | -174.9 | 172.6 | -178.5 | 0 | 108 | F377 L381 | F377-K379 PolarHBondContact O-N 2.92Å; K379-L381 HydrophobicContact CB-CG 4.49Å; K379-L381 PolarHBondContact O-N 3.06Å | ||
| 380 | K | 32.3 | Very low | 51 | Low | 196 Ų | 196 | 110.9 Ų | 110.9 | 85% | 0.852 | 56% | 0.562 | S | S | * | * | trans | -72.3 | 61.7 | 175.2 | -164.7 | 175.9 | -177.7 | 176.4 | 0 | 111.1 | R378 I382 | R378-K380 PolarHBondContact O-N 2.98Å; K380-I382 PolarHBondContact O-N 3.21Å | ||
| 381 | L | 34 | Very low | 48.3 | Very low | 145 Ų | 145 | 118.4 Ų | 118.4 | 76% | 0.759 | 60% | 0.603 | S | S | * | * | trans | -68.9 | 103.3 | 163.3 | -77.3 | 165.4 | 0 | 0 | 0 | 106.5 | K379 P383 | K379-L381 HydrophobicContact CB-CG 4.49Å; K379-L381 PolarHBondContact O-N 3.06Å; L381-P383 VanDerWaalsContact O-CD 3.29Å; L381-P383 WeakPolarHBondContact O-CD 3.46Å | ||
| 382 | I | 29.4 | Very low | 45.5 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | trans | -61 | 123.8 | 174.8 | -60 | 170.8 | 0 | 0 | 0 | 107.4 | K380 T384 | K380-I382 PolarHBondContact O-N 3.21Å; I382-T384 HydrophobicContact CG2-CG2 4.19Å; I382-T384 PolarHBondContact O-N 3.24Å | ||
| 383 | P | 30.5 | Very low | 42.9 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 65% | 0.654 | S | S | * | * | trans | -73.4 | 77 | 173.7 | -16.5 | 32.5 | 0 | 0 | 0 | 110.6 | L381 | L381-P383 VanDerWaalsContact O-CD 3.29Å; L381-P383 WeakPolarHBondContact O-CD 3.46Å | ||
| 384 | T | 30.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 68% | 0.681 | 67% | 0.672 | S | S | * | * | trans | -69.1 | 141.9 | 163.2 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | I382 | I382-T384 HydrophobicContact CG2-CG2 4.19Å; I382-T384 PolarHBondContact O-N 3.24Å | ||
| 385 | E | 34.9 | Very low | 38.3 | Very low | 156 Ų | 156 | 135 Ų | 135 | 73% | 0.729 | 70% | 0.703 | S | S | * | * | trans | 71.9 | 64 | -179.6 | -52.7 | 176.1 | -172.7 | 0 | 0 | 115.4 | ||||
| 386 | I | 34.4 | Very low | 37 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 120.9 | 135.5 | -65.5 | 179.4 | 0 | 0 | 0 | 106.2 | ||
| 387 | H | 36.6 | Very low | 36.1 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 55% | 0.546 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -80.4 | 129 | 170.9 | -122.2 | -86.1 | 0 | 0 | 0 | 108.8 | ||
| 388 | D | 32.6 | Very low | 35.8 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 143 | 166.1 | -75 | -52.4 | 0 | 0 | 0 | 110.3 | ||
| 389 | H | 36.4 | Very low | 35.5 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | -149.8 | 135.4 | 157.2 | -117.5 | -6.7 | 0 | 0 | 0 | 110.3 | E487 | H389-E487 IonicContact CE1-OE1 3.7Š| ||
| 390 | D | 34.8 | Very low | 35.7 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -64.4 | 136.4 | -170.6 | -57 | -94.6 | 0 | 0 | 0 | 114.2 | ||||
| 391 | L | 37.9 | Very low | 36 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 93% | 0.932 | 73% | 0.732 | S | S | * | * | trans | -136.1 | 117.6 | 140 | -86.1 | -179 | 0 | 0 | 0 | 109.7 | ||||
| 392 | S | 33.4 | Very low | 36.1 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | -101.2 | 174.7 | -177.6 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 393 | D | 37.9 | Very low | 36.5 | Very low | 155 Ų | 155 | 143 Ų | 143 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | 82.5 | 144.6 | 168.6 | -75.3 | -11.3 | 0 | 0 | 0 | 121.2 | ||||
| 394 | S | 37.4 | Very low | 36.6 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 86.7 | 69.3 | 165.9 | 69.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 395 | N | 36.2 | Very low | 36.8 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | 35.5 | 114.8 | 125 | -56 | -27 | 0 | 0 | 0 | 119.9 | |||||
| 396 | H | 39.5 | Very low | 36.7 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | -172.3 | 130.7 | 98.7 | -100.8 | -63.9 | 0 | 0 | 0 | 114.7 | |||||
| 397 | N | 37 | Very low | 36.6 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | trans | -6.3 | 146.9 | 135.8 | -68.9 | 71.6 | 0 | 0 | 0 | 118 | ||||
| 398 | D | 41.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | cis | -152.6 | 151.1 | 12.9 | -97.4 | -39.9 | 0 | 0 | 0 | 112.5 | ||||
| 399 | N | 39 | Very low | 36.2 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 21 | 124.6 | 149.6 | -42.7 | -60.4 | 0 | 0 | 0 | 120.7 | ||||
| 400 | D | 42.6 | Very low | 36.1 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | -166.8 | 144.7 | 94.1 | -121.4 | -2.8 | 0 | 0 | 0 | 114.5 | |||||
| 401 | N | 39.9 | Very low | 36.2 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 51 | 90.7 | 160.8 | -57.2 | -65.1 | 0 | 0 | 0 | 120.2 | ||||
| 402 | L | 35 | Very low | 36.3 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 93% | 0.932 | 74% | 0.742 | S | S | * | * | trans | -67.3 | 138.1 | 154.3 | -110.7 | 71.8 | 0 | 0 | 0 | 111.4 | ||||
| 403 | R | 37.8 | Very low | 37.1 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | trans | -133.5 | 150.2 | 153.2 | -91.5 | -175.4 | 164.1 | -177 | -6.8 | 108.2 | D405 | R403-D405 PolarHBondContact O-N 3.24Å; R403-D405 VanDerWaalsContact O-N 3.1Å | ||
| 404 | D | 34.1 | Very low | 38.2 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | -69 | 102.6 | 174.7 | -68.7 | -61 | 0 | 0 | 0 | 110.4 | ||||
| 405 | D | 33.5 | Very low | 40 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | trans | -136.5 | 68.7 | 164.1 | -84.3 | -52.4 | 0 | 0 | 0 | 107.7 | R403 | R403-D405 PolarHBondContact O-N 3.24Å; R403-D405 VanDerWaalsContact O-N 3.1Å | ||
| 406 | T | 33.3 | Very low | 42.4 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | trans | -115.4 | 41.6 | 172.3 | 67.9 | 0 | 0 | 0 | 0 | 112.1 | Y408 | T406-Y408 VanDerWaalsContact C-N 3.34Å; T406-Y408 PolarHBondContact O-N 3.19Å | ||
| 407 | D | 32 | Very low | 44.9 | Very low | 151 Ų | 151 | 122 Ų | 122 | 81% | 0.807 | 63% | 0.629 | S | S | * | * | trans | -78.9 | 93.7 | 148 | -166.6 | 4.3 | 0 | 0 | 0 | 106.6 | D409 | D407-D409 PolarHBondContact O-N 3.37Š| ||
| 408 | Y | 31.3 | Very low | 47.4 | Very low | 212 Ų | 212 | 120 Ų | 120 | 83% | 0.831 | 62% | 0.617 | S | S | * | * | trans | -78.3 | 78.7 | -178.2 | -157.2 | -78.3 | 0 | 0 | 0 | 108.7 | T406 Q410 | T406-Y408 VanDerWaalsContact C-N 3.34Å; T406-Y408 PolarHBondContact O-N 3.19Å; Y408-Q410 WeakPolarHBondContact O-CG 3.21Å; Y408-Q410 PolarHBondContact O-N 3.42Å | ||
| 409 | D | 29.7 | Very low | 49.9 | Very low | 80 Ų | 80 | 115.4 Ų | 115.4 | 43% | 0.428 | 59% | 0.592 | S | S | . | * | trans | -46.1 | 99.2 | -170.5 | 178.6 | 4.3 | 0 | 0 | 0 | 112.5 | D407 S411 N412 | D407-D409 PolarHBondContact O-N 3.37Å; D409-S411 PolarHBondContact O-N 2.83Å; D409-S411 WeakPolarHBondContact OD1-CB 3.32Å; D409-S411 PolarHBondContact OD1-N 3.28Å; D409-S411 PolarHBondContact OD1-OG 3.33Å; D409-S411 PolarHBondContact OD2-OG 3.29Å; D409-S411 VanDerWaalsContact OD2-OG 3.1Å; D409-N412 WeakPolarHBondContact CB-ND2 3.13Å; D409-N412 PolarHBondContact O-N 2.76Å; D409-N412 VanDerWaalsContact O-N 3.12Å; D409-N412 PolarHBondContact O-ND2 2.69Å; D409-N412 PolarHBondContact OD2-ND2 3.43Å | ||
| 410 | Q | 34.6 | Very low | 52.3 | Low | 174 Ų | 174 | 111.9 Ų | 111.9 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -70.5 | 0.9 | -176.4 | -62.9 | -162.5 | -35 | 0 | 0 | 113.2 | Y408 N412 | Y408-Q410 WeakPolarHBondContact O-CG 3.21Å; Y408-Q410 PolarHBondContact O-N 3.42Å; Q410-N412 VanDerWaalsContact C-N 3.32Å |
| 411 | S | 37.3 | Very low | 54.6 | Low | 87 Ų | 87 | 108.7 Ų | 108.7 | 61% | 0.608 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -75.6 | -16.6 | 167.8 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | D409 L413 | D409-S411 PolarHBondContact O-N 2.83Å; D409-S411 WeakPolarHBondContact OD1-CB 3.32Å; D409-S411 PolarHBondContact OD1-N 3.28Å; D409-S411 PolarHBondContact OD1-OG 3.33Å; D409-S411 PolarHBondContact OD2-OG 3.29Å; D409-S411 VanDerWaalsContact OD2-OG 3.1Å; S411-L413 VanDerWaalsContact C-N 3.32Å; S411-L413 PolarHBondContact O-N 3.21Å |
| 412 | N | 38.6 | Very low | 56.9 | Low | 119 Ų | 119 | 111.6 Ų | 111.6 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -86.2 | 12.6 | -174.5 | -71 | -75.4 | 0 | 0 | 0 | 115.7 | D409 Q410 P414 | D409-N412 WeakPolarHBondContact CB-ND2 3.13Å; D409-N412 PolarHBondContact O-N 2.76Å; D409-N412 VanDerWaalsContact O-N 3.12Å; D409-N412 PolarHBondContact O-ND2 2.69Å; D409-N412 PolarHBondContact OD2-ND2 3.43Å; Q410-N412 VanDerWaalsContact C-N 3.32Å; N412-P414 WeakPolarHBondContact O-CD 3.38Å |
| 413 | L | 51.3 | Low | 59.4 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -75.6 | 117.8 | 162.1 | -94.6 | 154.1 | 0 | 0 | 0 | 108.1 | S411 D415 | S411-L413 VanDerWaalsContact C-N 3.32Å; S411-L413 PolarHBondContact O-N 3.21Å; L413-D415 PolarHBondContact O-N 2.94Å |
| 414 | P | 60.4 | Low | 61.9 | Low | 75 Ų | 75 | 94.6 Ų | 94.6 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 141.7 | -177.3 | -19.9 | 29.2 | 0 | 0 | 0 | 111.3 | N412 Q430 | N412-P414 WeakPolarHBondContact O-CD 3.38Å; P414-Q430 PolarHBondContact O-NE2 3.14Å |
| 415 | D | 76.5 | Confident | 64.7 | Low | 68 Ų | 68 | 89 Ų | 89 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 142 | 174.3 | -69.8 | -55.5 | 0 | 0 | 0 | 110.7 | Q374 L413 F417 N429 | Q374-D415 WeakPolarHBondContact CB-OD1 3.34Å; L413-D415 PolarHBondContact O-N 2.94Å; D415-F417 VanDerWaalsContact CB-O 3.3Å; D415-F417 WeakPolarHBondContact CB-O 3.01Å; D415-F417 PolarHBondContact O-N 3.42Å; D415-N429 WeakPolarHBondContact O-CB 3.28Å; D415-N429 PolarHBondContact O-ND2 2.66Å |
| 416 | Q | 86.1 | Confident | 67.5 | Low | 19 Ų | 19 | 81.9 Ų | 81.9 | 9% | 0.089 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -73 | -17.4 | 178.8 | -70.3 | 165.4 | -58.3 | 0 | 0 | 111.7 | Q374 N429 Q430 L432 I440 | Q374-Q416 VanDerWaalsContact OE1-N 3.07Å; Q416-N429 PolarHBondContact O-N 2.67Å; Q416-Q430 HydrophobicContact CB-CB 4.48Å; Q416-Q430 HydrophobicContact CG-CB 4.11Å; Q416-Q430 PolarHBondContact O-N 3.4Å; Q416-L432 HydrophobicContact CB-CD2 3.95Å; Q416-L432 HydrophobicContact CG-CD2 4.32Å; Q416-I440 VanDerWaalsContact OE1-CD1 3.28Å |
| 417 | F | 90.7 | Very high | 70.3 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.6 | 173.8 | -50.3 | -69.9 | 0 | 0 | 0 | 110.7 | L352 L372 D415 I426 R427 L428 L432 I440 I442 F462 | L352-F417 HydrophobicContact CD1-CD1 3.37Å; L352-F417 HydrophobicContact CD1-CE1 3.41Å; L352-F417 VanDerWaalsContact CD1-CE1 3.41Å; L372-F417 HydrophobicContact CD2-CB 4.14Å; D415-F417 VanDerWaalsContact CB-O 3.3Å; D415-F417 WeakPolarHBondContact CB-O 3.01Å; D415-F417 PolarHBondContact O-N 3.42Å; F417-I426 HydrophobicContact CB-CG2 4.16Å; F417-R427 WeakPolarHBondContact CA-O 3.27Å; F417-L428 HydrophobicContact CD1-CD1 4.03Å; F417-L428 HydrophobicContact CE1-CD1 3.74Å; F417-L432 HydrophobicContact CE1-CD1 4.43Å; F417-L432 HydrophobicContact CE1-CD2 4.47Å; F417-L432 HydrophobicContact CZ-CD1 4.36Å; F417-L432 HydrophobicContact CZ-CD2 4.19Å; F417-I440 HydrophobicContact CE2-CB 4.04Å; F417-I440 HydrophobicContact CE2-CD1 4.13Å; F417-I440 HydrophobicContact CE2-CG2 3.86Å; F417-I440 HydrophobicContact CZ-CD1 4.36Å; F417-I442 HydrophobicContact CD2-CG2 3.68Å; F417-I442 HydrophobicContact CE2-CG2 4.3Å; F417-F462 HydrophobicContact CD1-CE2 4.12Å; F417-F462 AromaticContact CD2-CD2 3.99Å; F417-F462 HydrophobicContact CD2-CD2 3.99Å; F417-F462 AromaticContact CD2-CE2 3.82Å; F417-F462 HydrophobicContact CD2-CE2 3.82Å; F417-F462 HydrophobicContact CE1-CD2 4.01Å; F417-F462 HydrophobicContact CE1-CE2 4.05Å; F417-F462 HydrophobicContact CE1-CG 4.41Å; F417-F462 AromaticContact CE2-CD2 3.42Å; F417-F462 HydrophobicContact CE2-CD2 3.42Å; F417-F462 VanDerWaalsContact CE2-CD2 3.42Å; F417-F462 AromaticContact CE2-CE2 3.75Å; F417-F462 HydrophobicContact CE2-CE2 3.75Å; F417-F462 HydrophobicContact CE2-CG 4.34Å; F417-F462 HydrophobicContact CG-CD2 4.48Å; F417-F462 AromaticContact CG-CE2 3.99Å; F417-F462 HydrophobicContact CG-CE2 3.99Å; F417-F462 HydrophobicContact CZ-CB 4.24Å; F417-F462 AromaticContact CZ-CD2 3.43Å; F417-F462 HydrophobicContact CZ-CD2 3.43Å; F417-F462 VanDerWaalsContact CZ-CD2 3.43Å; F417-F462 AromaticContact CZ-CE2 3.86Å; F417-F462 HydrophobicContact CZ-CE2 3.86Å; F417-F462 AromaticContact CZ-CG 3.93Å; F417-F462 HydrophobicContact CZ-CG 3.93Å |
| 418 | I | 90.9 | Very high | 73.1 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.4 | 171.5 | 53.6 | 174.6 | 0 | 0 | 0 | 109.9 | I426 R427 N429 | I418-I426 CarbonylContact O-C 3.53Å; I418-I426 VanDerWaalsContact O-CA 3.29Å; I418-I426 WeakPolarHBondContact O-CA 3.42Å; I418-R427 HydrophobicContact CG1-CB 4.21Å; I418-R427 PolarHBondContact N-O 2.78Å; I418-R427 PolarHBondContact O-N 2.93Å; I418-N429 HydrophobicContact CB-CB 4.46Å; I418-N429 HydrophobicContact CG1-CB 4.15Å; I418-N429 HydrophobicContact CG2-CB 3.82Å |
| 419 | I | 93.6 | Very high | 75.9 | Confident | 24 Ų | 24 | 66 Ų | 66 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.4 | 172.7 | -167.2 | 170 | 0 | 0 | 0 | 110.7 | V355 L372 P421 E425 I426 I444 | V355-I419 HydrophobicContact CG2-CD1 4.05Å; L372-I419 HydrophobicContact CB-CG2 4.05Å; L372-I419 HydrophobicContact CD2-CB 4Å; L372-I419 HydrophobicContact CD2-CG2 4.14Å; L372-I419 HydrophobicContact CG-CB 4.28Å; L372-I419 HydrophobicContact CG-CG2 3.84Å; I419-P421 WeakPolarHBondContact O-CD 3.21Å; I419-E425 CarbonylContact C-O 3.34Å; I419-E425 VanDerWaalsContact CA-O 3.31Å; I419-E425 WeakPolarHBondContact CA-O 3.29Å; I419-I426 HydrophobicContact CB-CG1 4.12Å; I419-I426 HydrophobicContact CD1-CD1 4.23Å; I419-I426 HydrophobicContact CD1-CG1 3.77Å; I419-I426 HydrophobicContact CG1-CG1 3.79Å; I419-I444 HydrophobicContact CD1-CG2 4.12Å |
| 420 | N | 88.8 | Confident | 78.6 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | trans | -75.4 | 118 | 171.9 | 176.7 | -14.3 | 0 | 0 | 0 | 109.6 | Y422 N423 G424 E425 | N420-Y422 PolarHBondContact O-N 2.73Å; N420-Y422 VanDerWaalsContact O-N 3.09Å; N420-Y422 PolarHBondContact OD1-N 2.87Å; N420-Y422 VanDerWaalsContact OD1-N 3.1Å; N420-N423 VanDerWaalsContact CB-OD1 3.24Å; N420-N423 WeakPolarHBondContact CB-OD1 3.42Å; N420-N423 PolarHBondContact ND2-OD1 2.86Å; N420-N423 VanDerWaalsContact ND2-OD1 3.09Å; N420-N423 PolarHBondContact O-N 2.78Å; N420-G424 PolarHBondContact O-N 3.41Å; N420-E425 HydrophobicContact CB-CB 4.25Å; N420-E425 PolarHBondContact N-O 3.43Å | ||
| 421 | P | 91.7 | Very high | 81 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12.7 | -170.7 | 28.2 | -36.1 | 0 | 0 | 0 | 114.6 | T369 Y370 I419 | T369-P421 HydrophobicContact CG2-CB 4.38Å; Y370-P421 PolarHBondContact N-O 3.08Å; Y370-P421 VanDerWaalsContact O-CA 3.26Å; Y370-P421 WeakPolarHBondContact O-CA 3.34Å; Y370-P421 WeakPolarHBondContact O-CB 3.15Å; I419-P421 WeakPolarHBondContact O-CD 3.21Å |
| 422 | Y | 88.5 | Confident | 83.4 | Confident | 199 Ų | 199 | 56.7 Ų | 56.7 | 78% | 0.78 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -15.7 | -177.4 | -54 | -67.6 | 0 | 0 | 0 | 114.5 | N420 | N420-Y422 PolarHBondContact O-N 2.73Å; N420-Y422 VanDerWaalsContact O-N 3.09Å; N420-Y422 PolarHBondContact OD1-N 2.87Å; N420-Y422 VanDerWaalsContact OD1-N 3.1Å |
| 423 | N | 87.5 | Confident | 85.7 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.3 | 2.3 | -174.7 | 84.3 | -6.7 | 0 | 0 | 0 | 115.9 | K354 N420 E425 | K354-N423 WeakPolarHBondContact CE-O 3.39Å; K354-N423 WeakPolarHBondContact CG-O 3.15Å; N420-N423 VanDerWaalsContact CB-OD1 3.24Å; N420-N423 WeakPolarHBondContact CB-OD1 3.42Å; N420-N423 PolarHBondContact ND2-OD1 2.86Å; N420-N423 VanDerWaalsContact ND2-OD1 3.09Å; N420-N423 PolarHBondContact O-N 2.78Å; N423-E425 VanDerWaalsContact C-N 3.27Å; N423-E425 PolarHBondContact ND2-OE1 3.37Å; N423-E425 PolarHBondContact O-N 2.84Å; N423-E425 WeakPolarHBondContact OD1-CB 3.47Å; N423-E425 WeakPolarHBondContact OD1-CG 3.24Å; N423-E425 PolarHBondContact OD1-N 3.38Å; N423-E425 VanDerWaalsContact OD1-N 3.08Å |
| 424 | G | 89.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | 73.2 | 5.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V355 N420 I426 | V355-G424 WeakPolarHBondContact CG2-O 3.35Å; V355-G424 PolarHBondContact N-O 3.18Å; N420-G424 PolarHBondContact O-N 3.41Å; G424-I426 PolarHBondContact O-N 2.74Å | ||
| 425 | E | 93 | Very high | 88.3 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 117.3 | 175.2 | -77.3 | -179.1 | -131.7 | 0 | 0 | 111.8 | L351 K354 I419 N420 N423 R427 | L351-E425 HydrophobicContact CD1-CB 3.77Å; L351-E425 HydrophobicContact CD1-CG 3.77Å; K354-E425 HydrophobicContact CB-CG 4.46Å; K354-E425 HydrophobicContact CG-CG 4.15Å; I419-E425 CarbonylContact C-O 3.34Å; I419-E425 VanDerWaalsContact CA-O 3.31Å; I419-E425 WeakPolarHBondContact CA-O 3.29Å; N420-E425 HydrophobicContact CB-CB 4.25Å; N420-E425 PolarHBondContact N-O 3.43Å; N423-E425 VanDerWaalsContact C-N 3.27Å; N423-E425 PolarHBondContact ND2-OE1 3.37Å; N423-E425 PolarHBondContact O-N 2.84Å; N423-E425 WeakPolarHBondContact OD1-CB 3.47Å; N423-E425 WeakPolarHBondContact OD1-CG 3.24Å; N423-E425 PolarHBondContact OD1-N 3.38Å; N423-E425 VanDerWaalsContact OD1-N 3.08Å; E425-R427 IonicContact OE2-CZ 2.91Å; E425-R427 VanDerWaalsContact OE2-CZ 3.24Å; E425-R427 IonicContact OE2-NE 2.69Å; E425-R427 PolarHBondContact OE2-NE 3.14Å; E425-R427 IonicContact OE2-NH2 2.67Å; E425-R427 PolarHBondContact OE2-NH2 3.05Å |
| 426 | I | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.3 | 172.4 | -57.9 | 174.8 | 0 | 0 | 0 | 108.8 | L352 L353 V355 F417 I418 I419 G424 I442 I444 L460 F462 | L352-I426 PolarHBondContact N-O 3.12Å; L353-I426 HydrophobicContact CB-CB 4.44Å; L353-I426 PolarHBondContact N-O 3.3Å; L353-I426 PolarHBondContact O-N 2.92Å; V355-I426 HydrophobicContact CG2-CD1 3.59Å; V355-I426 HydrophobicContact CG2-CG1 4.04Å; F417-I426 HydrophobicContact CB-CG2 4.16Å; I418-I426 CarbonylContact O-C 3.53Å; I418-I426 VanDerWaalsContact O-CA 3.29Å; I418-I426 WeakPolarHBondContact O-CA 3.42Å; I419-I426 HydrophobicContact CB-CG1 4.12Å; I419-I426 HydrophobicContact CD1-CD1 4.23Å; I419-I426 HydrophobicContact CD1-CG1 3.77Å; I419-I426 HydrophobicContact CG1-CG1 3.79Å; G424-I426 PolarHBondContact O-N 2.74Å; I426-I442 HydrophobicContact CD1-CD1 3.93Å; I426-I442 HydrophobicContact CG2-CD1 4.3Å; I426-I444 HydrophobicContact CD1-CD1 4Å; I426-I444 HydrophobicContact CD1-CG1 3.97Å; I426-L460 HydrophobicContact CD1-CD1 3.79Å; I426-F462 HydrophobicContact CG2-CZ 4.32Å |
| 427 | R | 91.7 | Very high | 88.2 | Confident | 107 Ų | 107 | 49.4 Ų | 49.4 | 40% | 0.404 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.9 | -178.9 | -55.3 | -169.4 | 177.3 | -167.8 | 2.6 | 111.5 | T350 L351 F417 I418 E425 | T350-R427 CarbonylContact O-C 3.5Å; T350-R427 VanDerWaalsContact O-CA 3.23Å; T350-R427 WeakPolarHBondContact O-CA 3.48Å; L351-R427 HydrophobicContact CD1-CG 4.06Å; F417-R427 WeakPolarHBondContact CA-O 3.27Å; I418-R427 HydrophobicContact CG1-CB 4.21Å; I418-R427 PolarHBondContact N-O 2.78Å; I418-R427 PolarHBondContact O-N 2.93Å; E425-R427 IonicContact OE2-CZ 2.91Å; E425-R427 VanDerWaalsContact OE2-CZ 3.24Å; E425-R427 IonicContact OE2-NE 2.69Å; E425-R427 PolarHBondContact OE2-NE 3.14Å; E425-R427 IonicContact OE2-NH2 2.67Å; E425-R427 PolarHBondContact OE2-NH2 3.05Å |
| 428 | L | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129 | 173.1 | -171 | 67.9 | 0 | 0 | 0 | 110.4 | L346 G349 T350 L352 F417 Q430 L432 | L346-L428 HydrophobicContact CB-CD2 3.94Å; L346-L428 VanDerWaalsContact O-CD2 3.32Å; L346-L428 WeakPolarHBondContact O-CD2 3.09Å; G349-L428 WeakPolarHBondContact CA-O 3.37Å; G349-L428 PolarHBondContact N-O 2.95Å; T350-L428 PolarHBondContact O-N 2.77Å; L352-L428 HydrophobicContact CD1-CB 4.21Å; L352-L428 HydrophobicContact CD1-CD1 4.49Å; L352-L428 HydrophobicContact CG-CB 4.5Å; F417-L428 HydrophobicContact CD1-CD1 4.03Å; F417-L428 HydrophobicContact CE1-CD1 3.74Å; L428-Q430 VanDerWaalsContact CD1-O 3.29Å; L428-Q430 WeakPolarHBondContact CD1-O 3.3Å; L428-Q430 WeakPolarHBondContact CG-O 3.15Å; L428-L432 HydrophobicContact CD1-CD1 3.93Å; L428-L432 HydrophobicContact CD1-CD2 3.93Å; L428-L432 HydrophobicContact CD1-CG 3.82Å |
| 429 | N | 89.8 | Confident | 87.7 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | trans | -110.6 | -25.9 | -175.3 | -171.4 | 48.6 | 0 | 0 | 0 | 113.1 | I348 D415 Q416 I418 | I348-N429 WeakPolarHBondContact CG2-O 3.45Å; D415-N429 WeakPolarHBondContact O-CB 3.28Å; D415-N429 PolarHBondContact O-ND2 2.66Å; Q416-N429 PolarHBondContact O-N 2.67Å; I418-N429 HydrophobicContact CB-CB 4.46Å; I418-N429 HydrophobicContact CG1-CB 4.15Å; I418-N429 HydrophobicContact CG2-CB 3.82Å | ||
| 430 | Q | 86.2 | Confident | 87.4 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -131.8 | 166.5 | 176.2 | -67.3 | -177.2 | -5.8 | 0 | 0 | 110.6 | P414 Q416 L428 | P414-Q430 PolarHBondContact O-NE2 3.14Å; Q416-Q430 HydrophobicContact CB-CB 4.48Å; Q416-Q430 HydrophobicContact CG-CB 4.11Å; Q416-Q430 PolarHBondContact O-N 3.4Å; L428-Q430 VanDerWaalsContact CD1-O 3.29Å; L428-Q430 WeakPolarHBondContact CD1-O 3.3Å; L428-Q430 WeakPolarHBondContact CG-O 3.15Å |
| 431 | L | 85.8 | Confident | 87.4 | Confident | 93 Ų | 93 | 55 Ų | 55 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | trans | -65.3 | 152.1 | 163.5 | -68.2 | 169.2 | 0 | 0 | 0 | 109.8 | I348 | I348-L431 HydrophobicContact CD1-CG 4.38Š| ||
| 432 | L | 87.1 | Confident | 87.3 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | trans | -105 | 158.2 | 175.1 | -57.4 | 177.2 | 0 | 0 | 0 | 109.3 | V342 E344 Q416 F417 L428 I440 I464 | V342-L432 HydrophobicContact CB-CD1 4.42Å; V342-L432 HydrophobicContact CG1-CD1 3.62Å; E344-L432 HydrophobicContact CB-CB 4.26Å; Q416-L432 HydrophobicContact CB-CD2 3.95Å; Q416-L432 HydrophobicContact CG-CD2 4.32Å; F417-L432 HydrophobicContact CE1-CD1 4.43Å; F417-L432 HydrophobicContact CE1-CD2 4.47Å; F417-L432 HydrophobicContact CZ-CD1 4.36Å; F417-L432 HydrophobicContact CZ-CD2 4.19Å; L428-L432 HydrophobicContact CD1-CD1 3.93Å; L428-L432 HydrophobicContact CD1-CD2 3.93Å; L428-L432 HydrophobicContact CD1-CG 3.82Å; L432-I440 HydrophobicContact CD2-CD1 4.12Å; L432-I464 HydrophobicContact CB-CD1 4.02Å; L432-I464 HydrophobicContact CB-CG2 4.47Å; L432-I464 HydrophobicContact CD1-CD1 4.05Å; L432-I464 HydrophobicContact CD1-CG1 4.13Å; L432-I464 HydrophobicContact CD2-CD1 4.33Å; L432-I464 HydrophobicContact CG-CD1 4.36Å | ||
| 433 | H | 86.3 | Confident | 87.4 | Confident | 70 Ų | 70 | 43.6 Ų | 43.6 | 32% | 0.324 | 21% | 0.205 | S | C | . | . | trans | -137.7 | 102.9 | -177.7 | -67.3 | -71.3 | 0 | 0 | 0 | 108.8 | H435 E436 T437 | H433-H435 AromaticContact CG-NE2 3.89Å; H433-H435 AromaticContact ND1-NE2 3.67Å; H433-H435 PolarHBondContact O-N 2.88Å; H433-E436 HydrophobicContact CB-CB 4.21Å; H433-E436 HydrophobicContact CB-CG 3.99Å; H433-E436 PolarHBondContact O-N 2.7Å; H433-T437 PolarHBondContact O-N 2.79Å; H433-T437 VanDerWaalsContact O-N 3.16Å | ||
| 434 | A | 84.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -33.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E344 E436 T437 I464 D466 L513 | E344-A434 WeakPolarHBondContact OE2-CB 3.3Å; E344-A434 PolarHBondContact OE2-N 3Å; A434-E436 VanDerWaalsContact C-N 3.34Å; A434-E436 PolarHBondContact O-N 2.63Å; A434-T437 CarbonylContact O-C 3.59Å; A434-I464 HydrophobicContact CB-CG2 3.76Å; A434-D466 HydrophobicContact CB-CB 3.82Å; A434-L513 HydrophobicContact CB-CD1 4.13Å |
| 435 | H | 81.8 | Confident | 87.8 | Confident | 60 Ų | 60 | 42.4 Ų | 42.4 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.7 | 175.9 | 68.6 | 81.5 | 0 | 0 | 0 | 113.8 | H433 H470 L511 | H433-H435 AromaticContact CG-NE2 3.89Å; H433-H435 AromaticContact ND1-NE2 3.67Å; H433-H435 PolarHBondContact O-N 2.88Å; H435-H470 AromaticContact CD2-CE1 3.36Å; H435-H470 PolarHBondContact CD2-CE1 2.93Å; H435-H470 AromaticContact NE2-CE1 3.54Å; H435-H470 AromaticContact NE2-NE2 3.93Å; H435-L511 HydrophobicContact CB-CB 4.16Å; H435-L511 WeakPolarHBondContact CB-O 3.45Å |
| 436 | E | 81.9 | Confident | 87.8 | Confident | 85 Ų | 85 | 40.6 Ų | 40.6 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -51.2 | 172.6 | -69.9 | -162.6 | -169.1 | 0 | 0 | 111.4 | R378 H433 A434 | R378-E436 IonicContact CZ-OE2 3.24Å; R378-E436 IonicContact NE-OE2 3.23Å; R378-E436 PolarHBondContact NE-OE2 3.23Å; R378-E436 IonicContact NH2-OE1 3.28Å; R378-E436 PolarHBondContact NH2-OE1 2.73Å; R378-E436 IonicContact NH2-OE2 2.68Å; R378-E436 PolarHBondContact NH2-OE2 2.85Å; H433-E436 HydrophobicContact CB-CB 4.21Å; H433-E436 HydrophobicContact CB-CG 3.99Å; H433-E436 PolarHBondContact O-N 2.7Å; A434-E436 VanDerWaalsContact C-N 3.34Å; A434-E436 PolarHBondContact O-N 2.63Å |
| 437 | T | 79.8 | Confident | 87.9 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | trans | -139.8 | 113.8 | -173.7 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | H433 A434 Q439 I464 | H433-T437 PolarHBondContact O-N 2.79Å; H433-T437 VanDerWaalsContact O-N 3.16Å; A434-T437 CarbonylContact O-C 3.59Å; T437-Q439 VanDerWaalsContact C-N 3.29Å; T437-Q439 PolarHBondContact O-N 3.19Å; T437-I464 VanDerWaalsContact O-CD1 3.26Å; T437-I464 WeakPolarHBondContact O-CD1 3.22Å | ||
| 438 | K | 83.5 | Confident | 88 | Confident | 126 Ų | 126 | 36.6 Ų | 36.6 | 55% | 0.548 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -74.2 | -23.2 | 175.6 | -56.2 | -162.4 | -177.5 | -156.1 | 0 | 113.3 | I464 L513 | K438-I464 PolarHBondContact O-N 2.78Å; K438-L513 HydrophobicContact CD-CD1 3.79Å; K438-L513 VanDerWaalsContact CE-CD1 3.41Å; K438-L513 HydrophobicContact CG-CD1 3.82Å |
| 439 | Q | 87.3 | Confident | 87.9 | Confident | 104 Ų | 104 | 39.4 Ų | 39.4 | 49% | 0.486 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.2 | -179 | -63.6 | -178 | -55 | 0 | 0 | 108.8 | T437 L461 F462 N463 | T437-Q439 VanDerWaalsContact C-N 3.29Å; T437-Q439 PolarHBondContact O-N 3.19Å; Q439-L461 HydrophobicContact CB-CD1 4.04Å; Q439-F462 CarbonylContact C-O 3.58Å; Q439-F462 VanDerWaalsContact CA-O 3.25Å; Q439-F462 WeakPolarHBondContact CA-O 3.25Å; Q439-N463 PolarHBondContact NE2-OD1 3.01Å |
| 440 | I | 86.9 | Confident | 87.7 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.6 | 173 | -50.4 | -177.9 | 0 | 0 | 0 | 108.7 | Q374 Q416 F417 L432 F462 I464 | Q374-I440 HydrophobicContact CG-CG2 3.92Å; Q416-I440 VanDerWaalsContact OE1-CD1 3.28Å; F417-I440 HydrophobicContact CE2-CB 4.04Å; F417-I440 HydrophobicContact CE2-CD1 4.13Å; F417-I440 HydrophobicContact CE2-CG2 3.86Å; F417-I440 HydrophobicContact CZ-CD1 4.36Å; L432-I440 HydrophobicContact CD2-CD1 4.12Å; I440-F462 PolarHBondContact N-O 3.03Å; I440-F462 PolarHBondContact O-N 2.88Å; I440-I464 HydrophobicContact CD1-CD1 3.56Å; I440-I464 HydrophobicContact CG1-CD1 3.76Å |
| 441 | E | 88.3 | Confident | 87.7 | Confident | 45 Ų | 45 | 42 Ų | 42 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.2 | 173.9 | -173.9 | -179.9 | -127.6 | 0 | 0 | 109.7 | N375 F377 H459 L460 L461 | N375-E441 HydrophobicContact CB-CB 4.4Å; N375-E441 PolarHBondContact N-O 3.13Å; N375-E441 PolarHBondContact ND2-OE2 3.36Å; F377-E441 HydrophobicContact CE2-CB 4.36Å; E441-H459 HydrophobicContact CG-CB 4.35Å; E441-H459 IonicContact OE1-CG 2.99Å; E441-L460 WeakPolarHBondContact CA-O 3.22Å; E441-L461 HydrophobicContact CB-CD1 4.23Å |
| 442 | I | 89.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 144.3 | 166 | 65.1 | 166.4 | 0 | 0 | 0 | 109.9 | L372 T373 Q374 F417 I426 H459 L460 F462 | L372-I442 HydrophobicContact CD2-CD1 3.87Å; T373-I442 CarbonylContact O-C 3.56Å; T373-I442 WeakPolarHBondContact O-CA 3.29Å; Q374-I442 HydrophobicContact CB-CG2 4.07Å; Q374-I442 HydrophobicContact CG-CG2 4.02Å; F417-I442 HydrophobicContact CD2-CG2 3.68Å; F417-I442 HydrophobicContact CE2-CG2 4.3Å; I426-I442 HydrophobicContact CD1-CD1 3.93Å; I426-I442 HydrophobicContact CG2-CD1 4.3Å; I442-H459 CarbonylContact O-C 3.56Å; I442-H459 WeakPolarHBondContact O-CA 3.49Å; I442-L460 HydrophobicContact CD1-CD1 4.19Å; I442-L460 HydrophobicContact CG1-CB 3.95Å; I442-L460 HydrophobicContact CG1-CD1 4.37Å; I442-L460 HydrophobicContact CG1-CG 4.32Å; I442-L460 PolarHBondContact N-O 2.77Å; I442-L460 PolarHBondContact O-N 3.36Å; I442-F462 HydrophobicContact CD1-CE2 3.6Å; I442-F462 HydrophobicContact CD1-CZ 4.03Å; I442-F462 HydrophobicContact CG1-CE2 3.74Å; I442-F462 HydrophobicContact CG1-CZ 4.48Å; I442-F462 HydrophobicContact CG2-CE2 4.32Å |
| 443 | T | 90.6 | Very high | 87.9 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 107.8 | 169.5 | -50.3 | 0 | 0 | 0 | 0 | 108.2 | L372 T373 K458 H459 | L372-T443 CarbonylContact C-O 3.46Å; L372-T443 WeakPolarHBondContact CA-O 3.03Å; T373-T443 PolarHBondContact N-O 3.23Å; T373-T443 PolarHBondContact O-N 2.93Å; T373-T443 PolarHBondContact OG1-O 2.8Å; T443-K458 CarbonylContact C-O 3.32Å; T443-K458 WeakPolarHBondContact CA-O 3.46Å; T443-H459 PolarHBondContact OG1-CE1 3.19Å; T443-H459 VanDerWaalsContact OG1-CE1 3.29Å; T443-H459 PolarHBondContact OG1-ND1 2.66Å |
| 444 | I | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 140.6 | 166.6 | -55.2 | 156.5 | 0 | 0 | 0 | 107.9 | F330 V355 I419 I426 V446 S457 K458 L460 | F330-I444 HydrophobicContact CE1-CG2 4.19Å; F330-I444 HydrophobicContact CZ-CG2 4.43Å; V355-I444 HydrophobicContact CB-CD1 4.48Å; V355-I444 HydrophobicContact CG1-CD1 4.19Å; V355-I444 HydrophobicContact CG1-CG2 4.19Å; V355-I444 HydrophobicContact CG2-CD1 3.41Å; V355-I444 VanDerWaalsContact CG2-CD1 3.41Å; V355-I444 HydrophobicContact CG2-CG1 4.13Å; V355-I444 HydrophobicContact CG2-CG2 4.26Å; I419-I444 HydrophobicContact CD1-CG2 4.12Å; I426-I444 HydrophobicContact CD1-CD1 4Å; I426-I444 HydrophobicContact CD1-CG1 3.97Å; I444-V446 HydrophobicContact CG2-CG2 4.14Å; I444-S457 CarbonylContact O-C 3.52Å; I444-S457 WeakPolarHBondContact O-CA 3.33Å; I444-K458 PolarHBondContact N-O 2.74Å; I444-K458 PolarHBondContact O-N 2.85Å; I444-L460 HydrophobicContact CD1-CD1 3.57Å; I444-L460 HydrophobicContact CD1-CD2 3.88Å; I444-L460 HydrophobicContact CD1-CG 3.62Å; I444-L460 HydrophobicContact CG1-CD1 4.21Å; I444-L460 HydrophobicContact CG1-CG 4.22Å |
| 445 | H | 93.4 | Very high | 88.4 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 12% | 0.116 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.8 | 167.4 | -59.5 | -47 | 0 | 0 | 0 | 109 | S371 T373 K455 S457 | S371-H445 PolarHBondContact N-O 2.92Å; S371-H445 PolarHBondContact O-N 3.14Å; S371-H445 VanDerWaalsContact O-O 3.07Å; S371-H445 WeakPolarHBondContact OG-CB 3.21Å; T373-H445 PolarHBondContact OG1-NE2 3.08Å; H445-K455 VanDerWaalsContact CB-CE 3.42Å; H445-K455 PolarHBondContact CD2-NZ 2.75Å; H445-K455 VanDerWaalsContact CG-NZ 3.32Å; H445-K455 WeakPolarHBondContact ND1-CE 3.13Å; H445-K455 PolarHBondContact ND1-NZ 3.34Å; H445-S457 PolarHBondContact ND1-OG 3.09Å |
| 446 | V | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.8 | 167.5 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | F330 A357 L368 Y370 I444 K455 I456 | F330-V446 HydrophobicContact CD1-CG2 4.42Å; F330-V446 HydrophobicContact CE1-CB 4.5Å; F330-V446 HydrophobicContact CE1-CG2 3.53Å; F330-V446 HydrophobicContact CZ-CB 4.48Å; F330-V446 HydrophobicContact CZ-CG2 3.86Å; A357-V446 HydrophobicContact CB-CG1 4.12Å; A357-V446 HydrophobicContact CB-CG2 4.46Å; L368-V446 HydrophobicContact CB-CG1 4.02Å; L368-V446 HydrophobicContact CD1-CG1 4.07Å; L368-V446 HydrophobicContact CD2-CG1 4.21Å; L368-V446 HydrophobicContact CG-CG1 4.33Å; Y370-V446 HydrophobicContact CD1-CG1 4.41Å; Y370-V446 HydrophobicContact CD1-CG2 3.58Å; Y370-V446 HydrophobicContact CE1-CG1 4.27Å; Y370-V446 HydrophobicContact CE1-CG2 3.76Å; Y370-V446 HydrophobicContact CG-CG2 4.38Å; I444-V446 HydrophobicContact CG2-CG2 4.14Å; V446-K455 WeakPolarHBondContact O-CA 3.06Å; V446-I456 HydrophobicContact CB-CD1 4.18Å; V446-I456 HydrophobicContact CB-CG1 3.81Å; V446-I456 PolarHBondContact N-O 3.01Å; V446-I456 VanDerWaalsContact N-O 3.1Å; V446-I456 WeakPolarHBondContact O-CG1 3.2Å; V446-I456 PolarHBondContact O-N 3.02Å |
| 447 | N | 94.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.7 | 179.2 | -69 | 57.6 | 0 | 0 | 0 | 108.3 | L368 T369 M453 H454 K455 | L368-N447 CarbonylContact C-O 3.58Å; L368-N447 VanDerWaalsContact CA-O 3.26Å; L368-N447 WeakPolarHBondContact CA-O 3.35Å; T369-N447 PolarHBondContact N-O 3.07Å; T369-N447 PolarHBondContact O-N 3Å; N447-M453 HydrophobicContact CB-CG 4.39Å; N447-M453 HydrophobicContact CB-SD 4.1Å; N447-M453 VanDerWaalsContact ND2-CE 3.3Å; N447-M453 WeakPolarHBondContact ND2-CE 3.17Å; N447-M453 PolarHBondContact ND2-SD 3.33Å; N447-H454 WeakPolarHBondContact CA-O 3.23Å; N447-K455 WeakPolarHBondContact OD1-CG 3.31Å |
| 448 | D | 93.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -74.9 | -175.6 | 154.9 | 64.1 | 54.1 | 0 | 0 | 0 | 110.9 | N324 P328 N365 R367 L368 G450 M453 H454 | N324-D448 PolarHBondContact ND2-OD2 3.47Å; P328-D448 HydrophobicContact CG-CB 4.22Å; N365-D448 VanDerWaalsContact O-CB 3.24Å; N365-D448 WeakPolarHBondContact O-CB 3.1Å; R367-D448 CarbonylContact O-C 3.09Å; L368-D448 HydrophobicContact CD2-CB 4.36Å; D448-G450 PolarHBondContact OD1-N 3.18Å; D448-M453 WeakPolarHBondContact O-CG 3.47Å; D448-M453 VanDerWaalsContact OD1-CA 3.24Å; D448-M453 WeakPolarHBondContact OD1-CA 3.3Å; D448-M453 WeakPolarHBondContact OD1-CG 3.24Å; D448-H454 PolarHBondContact N-O 2.82Å; D448-H454 VanDerWaalsContact N-O 3.15Å; D448-H454 PolarHBondContact OD1-N 3.5Å; D448-H454 VanDerWaalsContact OD2-CA 3.3Å; D448-H454 WeakPolarHBondContact OD2-CA 3.39Å; D448-H454 WeakPolarHBondContact OD2-CB 3.38Å; D448-H454 IonicContact OD2-CG 2.7Å; D448-H454 PolarHBondContact OD2-N 2.76Å; D448-H454 IonicContact OD2-ND1 3.73Å | ||
| 449 | N | 89.4 | Confident | 90.2 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 32% | 0.316 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -117.5 | 18.6 | 172.9 | -80.9 | 50.6 | 0 | 0 | 0 | 112.2 | E364 R367 T369 | E364-N449 CarbonylContact O-C 3.56Å; E364-N449 WeakPolarHBondContact O-CB 3.28Å; E364-N449 PolarHBondContact O-N 2.63Å; R367-N449 HydrophobicContact CB-CB 4.42Å; R367-N449 PolarHBondContact NH2-ND2 3.46Å; R367-N449 PolarHBondContact O-N 2.85Å; R367-N449 PolarHBondContact O-OD1 3.03Å; T369-N449 PolarHBondContact OG1-OD1 3.17Å |
| 450 | G | 85.5 | Confident | 90.2 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -86.1 | -174.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N324 N365 D448 M453 | N324-G450 WeakPolarHBondContact OD1-CA 3.21Å; N365-G450 WeakPolarHBondContact OD1-CA 3.16Å; D448-G450 PolarHBondContact OD1-N 3.18Å; G450-M453 WeakPolarHBondContact O-CA 3.27Å; G450-M453 PolarHBondContact O-N 2.75Å |
| 451 | I | 84.9 | Confident | 90.3 | Very high | 147 Ų | 147 | 42.6 Ų | 42.6 | 75% | 0.754 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -136.2 | 111.2 | 179.8 | -55.9 | -179.4 | 0 | 0 | 0 | 109.6 | ||
| 452 | P | 86.8 | Confident | 90.4 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | S | Bend | cis | -74.9 | 135.5 | 0.7 | 32.3 | -34.8 | 0 | 0 | 0 | 112.4 | N324 H454 | N324-P452 PolarHBondContact ND2-O 2.75Å; P452-H454 PolarHBondContact O-N 3.23Å |
| 453 | M | 90.2 | Very high | 90.5 | Very high | 110 Ų | 110 | 42.2 Ų | 42.2 | 54% | 0.542 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 125.5 | 179.7 | 178.1 | -167.8 | 66.3 | 0 | 0 | 111.8 | N447 D448 G450 | N447-M453 HydrophobicContact CB-CG 4.39Å; N447-M453 HydrophobicContact CB-SD 4.1Å; N447-M453 VanDerWaalsContact ND2-CE 3.3Å; N447-M453 WeakPolarHBondContact ND2-CE 3.17Å; N447-M453 PolarHBondContact ND2-SD 3.33Å; D448-M453 WeakPolarHBondContact O-CG 3.47Å; D448-M453 VanDerWaalsContact OD1-CA 3.24Å; D448-M453 WeakPolarHBondContact OD1-CA 3.3Å; D448-M453 WeakPolarHBondContact OD1-CG 3.24Å; G450-M453 WeakPolarHBondContact O-CA 3.27Å; G450-M453 PolarHBondContact O-N 2.75Å |
| 454 | H | 90.7 | Very high | 90.5 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -93.9 | 146.6 | 172.3 | -55.2 | 140.2 | 0 | 0 | 0 | 111.6 | N324 N326 I327 N447 D448 P452 | N324-H454 PolarHBondContact ND2-ND1 2.79Å; N324-H454 PolarHBondContact O-CE1 2.84Å; N326-H454 PolarHBondContact O-CE1 2.84Å; N326-H454 PolarHBondContact O-ND1 3.33Å; I327-H454 HydrophobicContact CB-CB 4.39Å; I327-H454 HydrophobicContact CG1-CB 4.06Å; I327-H454 HydrophobicContact CG2-CB 4.24Å; N447-H454 WeakPolarHBondContact CA-O 3.23Å; D448-H454 PolarHBondContact N-O 2.82Å; D448-H454 VanDerWaalsContact N-O 3.15Å; D448-H454 PolarHBondContact OD1-N 3.5Å; D448-H454 VanDerWaalsContact OD2-CA 3.3Å; D448-H454 WeakPolarHBondContact OD2-CA 3.39Å; D448-H454 WeakPolarHBondContact OD2-CB 3.38Å; D448-H454 IonicContact OD2-CG 2.7Å; D448-H454 PolarHBondContact OD2-N 2.76Å; D448-H454 IonicContact OD2-ND1 3.73Å; P452-H454 PolarHBondContact O-N 3.23Å |
| 455 | K | 92.3 | Very high | 90.4 | Very high | 108 Ų | 108 | 46.1 Ų | 46.1 | 47% | 0.47 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123.9 | -178 | -180 | 175.3 | -168.1 | -170.8 | 0 | 110.4 | H445 V446 N447 | H445-K455 VanDerWaalsContact CB-CE 3.42Å; H445-K455 PolarHBondContact CD2-NZ 2.75Å; H445-K455 VanDerWaalsContact CG-NZ 3.32Å; H445-K455 WeakPolarHBondContact ND1-CE 3.13Å; H445-K455 PolarHBondContact ND1-NZ 3.34Å; V446-K455 WeakPolarHBondContact O-CA 3.06Å; N447-K455 WeakPolarHBondContact OD1-CG 3.31Å |
| 456 | I | 93 | Very high | 90.2 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.138 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 163.6 | 165.4 | 64.4 | 174.5 | 0 | 0 | 0 | 111 | I327 P328 F330 V446 | I327-I456 HydrophobicContact CG2-CG2 3.59Å; P328-I456 HydrophobicContact CB-CD1 3.91Å; P328-I456 HydrophobicContact CB-CG1 4.15Å; P328-I456 HydrophobicContact CB-CG2 4.45Å; P328-I456 WeakPolarHBondContact O-CD1 3.5Å; P328-I456 WeakPolarHBondContact O-CG2 3.22Å; F330-I456 HydrophobicContact CD1-CD1 4.28Å; F330-I456 HydrophobicContact CD2-CD1 3.31Å; F330-I456 HydrophobicContact CD2-CG1 4.1Å; F330-I456 HydrophobicContact CE1-CD1 4.25Å; F330-I456 HydrophobicContact CE2-CB 3.99Å; F330-I456 HydrophobicContact CE2-CD1 3.25Å; F330-I456 HydrophobicContact CE2-CG1 3.51Å; F330-I456 HydrophobicContact CG-CD1 3.84Å; F330-I456 HydrophobicContact CZ-CD1 3.76Å; F330-I456 HydrophobicContact CZ-CG1 3.86Å; V446-I456 HydrophobicContact CB-CD1 4.18Å; V446-I456 HydrophobicContact CB-CG1 3.81Å; V446-I456 PolarHBondContact N-O 3.01Å; V446-I456 VanDerWaalsContact N-O 3.1Å; V446-I456 WeakPolarHBondContact O-CG1 3.2Å; V446-I456 PolarHBondContact O-N 3.02Å |
| 457 | S | 92.3 | Very high | 89.9 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 42% | 0.42 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 152 | 177.9 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | I444 H445 | I444-S457 CarbonylContact O-C 3.52Å; I444-S457 WeakPolarHBondContact O-CA 3.33Å; H445-S457 PolarHBondContact ND1-OG 3.09Å |
| 458 | K | 88.5 | Confident | 89.7 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 131.4 | -175.8 | -169.7 | 155.3 | -164.1 | 157.1 | 0 | 112.5 | F330 P333 I334 E335 T443 I444 | F330-K458 HydrophobicContact CB-CD 4.46Å; F330-K458 HydrophobicContact CD1-CD 4.38Å; F330-K458 HydrophobicContact CD2-CB 4.07Å; F330-K458 HydrophobicContact CD2-CD 3.84Å; F330-K458 HydrophobicContact CE1-CB 4.18Å; F330-K458 HydrophobicContact CE2-CB 3.48Å; F330-K458 VanDerWaalsContact CE2-CB 3.48Å; F330-K458 HydrophobicContact CE2-CD 4.14Å; F330-K458 HydrophobicContact CE2-CG 4.46Å; F330-K458 HydrophobicContact CG-CD 3.99Å; F330-K458 HydrophobicContact CZ-CB 3.55Å; P333-K458 HydrophobicContact CG-CD 4.31Å; P333-K458 WeakPolarHBondContact O-CE 3.28Å; P333-K458 PolarHBondContact O-NZ 3.36Å; I334-K458 VanDerWaalsContact C-NZ 3.27Å; I334-K458 PolarHBondContact O-NZ 2.88Å; E335-K458 WeakPolarHBondContact O-CE 3.35Å; E335-K458 PolarHBondContact O-NZ 3.19Å; T443-K458 CarbonylContact C-O 3.32Å; T443-K458 WeakPolarHBondContact CA-O 3.46Å; I444-K458 PolarHBondContact N-O 2.74Å; I444-K458 PolarHBondContact O-N 2.85Å |
| 459 | H | 89.1 | Confident | 89.4 | Confident | 75 Ų | 75 | 52 Ų | 52 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.5 | 179.5 | -52.7 | -72.4 | 0 | 0 | 0 | 110.8 | E441 I442 T443 | E441-H459 HydrophobicContact CG-CB 4.35Å; E441-H459 IonicContact OE1-CG 2.99Å; I442-H459 CarbonylContact O-C 3.56Å; I442-H459 WeakPolarHBondContact O-CA 3.49Å; T443-H459 PolarHBondContact OG1-CE1 3.19Å; T443-H459 VanDerWaalsContact OG1-CE1 3.29Å; T443-H459 PolarHBondContact OG1-ND1 2.66Å |
| 460 | L | 88.9 | Confident | 89.3 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.4 | 167.7 | -52.5 | -172 | 0 | 0 | 0 | 109.5 | P333 Y338 L353 I426 E441 I442 I444 F462 | P333-L460 HydrophobicContact CG-CD2 3.67Å; Y338-L460 HydrophobicContact CD1-CD2 4.06Å; Y338-L460 HydrophobicContact CG-CD2 4.36Å; Y338-L460 WeakPolarHBondContact O-CA 3.32Å; L353-L460 HydrophobicContact CD2-CD1 3.55Å; L353-L460 HydrophobicContact CD2-CD2 4.4Å; I426-L460 HydrophobicContact CD1-CD1 3.79Å; E441-L460 WeakPolarHBondContact CA-O 3.22Å; I442-L460 HydrophobicContact CD1-CD1 4.19Å; I442-L460 HydrophobicContact CG1-CB 3.95Å; I442-L460 HydrophobicContact CG1-CD1 4.37Å; I442-L460 HydrophobicContact CG1-CG 4.32Å; I442-L460 PolarHBondContact N-O 2.77Å; I442-L460 PolarHBondContact O-N 3.36Å; I444-L460 HydrophobicContact CD1-CD1 3.57Å; I444-L460 HydrophobicContact CD1-CD2 3.88Å; I444-L460 HydrophobicContact CD1-CG 3.62Å; I444-L460 HydrophobicContact CG1-CD1 4.21Å; I444-L460 HydrophobicContact CG1-CG 4.22Å; L460-F462 HydrophobicContact CD1-CZ 4.25Å |
| 461 | L | 89.4 | Confident | 89.6 | Confident | 55 Ų | 55 | 53.3 Ų | 53.3 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 102 | 178.8 | -171.9 | 69.7 | 0 | 0 | 0 | 110.8 | Y338 S339 M340 Q439 E441 | Y338-L461 PolarHBondContact O-N 3.27Å; S339-L461 WeakPolarHBondContact CA-O 3.31Å; S339-L461 WeakPolarHBondContact CB-O 3.13Å; S339-L461 PolarHBondContact OG-O 2.57Å; M340-L461 PolarHBondContact N-O 3.33Å; M340-L461 VanDerWaalsContact N-O 3.16Å; Q439-L461 HydrophobicContact CB-CD1 4.04Å; E441-L461 HydrophobicContact CB-CD1 4.23Å |
| 462 | F | 90.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.7 | 172.5 | -58.5 | -69.2 | 0 | 0 | 0 | 109.5 | M340 V342 L352 F417 I426 Q439 I440 I442 L460 | M340-F462 HydrophobicContact CE-CD1 4.07Å; M340-F462 HydrophobicContact CE-CE1 3.78Å; M340-F462 CarbonylContact O-C 3.58Å; M340-F462 WeakPolarHBondContact O-CA 3.41Å; V342-F462 HydrophobicContact CG2-CB 4Å; V342-F462 HydrophobicContact CG2-CD1 3.59Å; V342-F462 HydrophobicContact CG2-CE1 4.45Å; V342-F462 HydrophobicContact CG2-CG 4.13Å; L352-F462 HydrophobicContact CB-CE1 4.42Å; L352-F462 HydrophobicContact CD1-CE1 4.36Å; L352-F462 HydrophobicContact CD1-CZ 4.41Å; F417-F462 HydrophobicContact CD1-CE2 4.12Å; F417-F462 AromaticContact CD2-CD2 3.99Å; F417-F462 HydrophobicContact CD2-CD2 3.99Å; F417-F462 AromaticContact CD2-CE2 3.82Å; F417-F462 HydrophobicContact CD2-CE2 3.82Å; F417-F462 HydrophobicContact CE1-CD2 4.01Å; F417-F462 HydrophobicContact CE1-CE2 4.05Å; F417-F462 HydrophobicContact CE1-CG 4.41Å; F417-F462 AromaticContact CE2-CD2 3.42Å; F417-F462 HydrophobicContact CE2-CD2 3.42Å; F417-F462 VanDerWaalsContact CE2-CD2 3.42Å; F417-F462 AromaticContact CE2-CE2 3.75Å; F417-F462 HydrophobicContact CE2-CE2 3.75Å; F417-F462 HydrophobicContact CE2-CG 4.34Å; F417-F462 HydrophobicContact CG-CD2 4.48Å; F417-F462 AromaticContact CG-CE2 3.99Å; F417-F462 HydrophobicContact CG-CE2 3.99Å; F417-F462 HydrophobicContact CZ-CB 4.24Å; F417-F462 AromaticContact CZ-CD2 3.43Å; F417-F462 HydrophobicContact CZ-CD2 3.43Å; F417-F462 VanDerWaalsContact CZ-CD2 3.43Å; F417-F462 AromaticContact CZ-CE2 3.86Å; F417-F462 HydrophobicContact CZ-CE2 3.86Å; F417-F462 AromaticContact CZ-CG 3.93Å; F417-F462 HydrophobicContact CZ-CG 3.93Å; I426-F462 HydrophobicContact CG2-CZ 4.32Å; Q439-F462 CarbonylContact C-O 3.58Å; Q439-F462 VanDerWaalsContact CA-O 3.25Å; Q439-F462 WeakPolarHBondContact CA-O 3.25Å; I440-F462 PolarHBondContact N-O 3.03Å; I440-F462 PolarHBondContact O-N 2.88Å; I442-F462 HydrophobicContact CD1-CE2 3.6Å; I442-F462 HydrophobicContact CD1-CZ 4.03Å; I442-F462 HydrophobicContact CG1-CE2 3.74Å; I442-F462 HydrophobicContact CG1-CZ 4.48Å; I442-F462 HydrophobicContact CG2-CE2 4.32Å; L460-F462 HydrophobicContact CD1-CZ 4.25Å |
| 463 | N | 90.1 | Very high | 90.1 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.9 | 170.8 | -49.8 | -56.4 | 0 | 0 | 0 | 108.4 | S339 M340 N341 V342 Q439 | S339-N463 PolarHBondContact OG-ND2 3.3Å; M340-N463 PolarHBondContact O-N 3.27Å; N341-N463 CarbonylContact C-O 3.58Å; N341-N463 WeakPolarHBondContact CA-O 3.32Å; N341-N463 PolarHBondContact OD1-ND2 3.44Å; V342-N463 PolarHBondContact N-O 2.93Å; Q439-N463 PolarHBondContact NE2-OD1 3.01Å |
| 464 | I | 90.5 | Very high | 90 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.6 | -178.8 | -62.7 | 174.7 | 0 | 0 | 0 | 109.3 | V342 E344 L432 A434 T437 K438 I440 | V342-I464 CarbonylContact O-C 3.51Å; V342-I464 VanDerWaalsContact O-CA 3.3Å; V342-I464 WeakPolarHBondContact O-CA 3.43Å; E344-I464 HydrophobicContact CB-CG2 3.8Å; L432-I464 HydrophobicContact CB-CD1 4.02Å; L432-I464 HydrophobicContact CB-CG2 4.47Å; L432-I464 HydrophobicContact CD1-CD1 4.05Å; L432-I464 HydrophobicContact CD1-CG1 4.13Å; L432-I464 HydrophobicContact CD2-CD1 4.33Å; L432-I464 HydrophobicContact CG-CD1 4.36Å; A434-I464 HydrophobicContact CB-CG2 3.76Å; T437-I464 VanDerWaalsContact O-CD1 3.26Å; T437-I464 WeakPolarHBondContact O-CD1 3.22Å; K438-I464 PolarHBondContact O-N 2.78Å; I440-I464 HydrophobicContact CD1-CD1 3.56Å; I440-I464 HydrophobicContact CG1-CD1 3.76Å |
| 465 | I | 89.9 | Confident | 89.8 | Confident | 77 Ų | 77 | 45.4 Ų | 45.4 | 40% | 0.395 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.5 | 173.3 | -57.6 | 174 | 0 | 0 | 0 | 108.9 | N341 V342 E344 | N341-I465 HydrophobicContact CB-CD1 3.86Å; N341-I465 HydrophobicContact CB-CG1 4.15Å; V342-I465 PolarHBondContact O-N 2.83Å; E344-I465 PolarHBondContact N-O 3.27Å; E344-I465 VanDerWaalsContact N-O 3.11Å |
| 466 | D | 89.8 | Confident | 89.3 | Confident | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 143.8 | 174.6 | -174.6 | 97.2 | 0 | 0 | 0 | 112.7 | E344 A434 L513 N516 | E344-D466 WeakPolarHBondContact OE1-CA 3.49Å; A434-D466 HydrophobicContact CB-CB 3.82Å; D466-L513 HydrophobicContact CB-CB 4Å; D466-L513 HydrophobicContact CB-CD1 4.21Å; D466-L513 HydrophobicContact CB-CG 4.36Å; D466-L513 VanDerWaalsContact CG-N 3.27Å; D466-L513 VanDerWaalsContact OD1-CB 3.27Å; D466-L513 WeakPolarHBondContact OD1-CB 3.46Å; D466-L513 WeakPolarHBondContact OD1-CG 3.16Å; D466-L513 PolarHBondContact OD1-N 3.07Å; D466-L513 PolarHBondContact OD2-N 2.77Å; D466-L513 VanDerWaalsContact OD2-N 3.08Å; D466-N516 PolarHBondContact OD2-ND2 2.66Å |
| 467 | I | 88.3 | Confident | 88.5 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | trans | -134.9 | 138.9 | 178.2 | -67.8 | 170.3 | 0 | 0 | 0 | 108.5 | E344 N345 N469 | E344-I467 PolarHBondContact OE1-N 2.84Å; N345-I467 HydrophobicContact CB-CD1 3.77Å; N345-I467 WeakPolarHBondContact ND2-CD1 3.32Å; N345-I467 WeakPolarHBondContact OD1-CD1 3.2Å; I467-N469 PolarHBondContact O-N 2.83Å; I467-N469 PolarHBondContact O-ND2 2.95Å | ||
| 468 | N | 90 | Very high | 87.5 | Confident | 18 Ų | 18 | 45 Ų | 45 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -61.2 | 98.1 | 177.4 | -152.5 | 76.9 | 0 | 0 | 0 | 111.4 | D512 N516 D603 G605 S608 | N468-D512 VanDerWaalsContact CA-OD2 3.25Å; N468-D512 WeakPolarHBondContact CA-OD2 3.15Å; N468-N516 HydrophobicContact CB-CB 4.18Å; N468-N516 PolarHBondContact N-ND2 3.28Å; N468-N516 WeakPolarHBondContact OD1-CA 3.17Å; N468-N516 WeakPolarHBondContact OD1-CB 3.24Å; N468-N516 PolarHBondContact OD1-O 3.16Å; N468-D603 PolarHBondContact ND2-OD2 3.44Å; N468-G605 WeakPolarHBondContact OD1-CA 3.5Å; N468-S608 PolarHBondContact ND2-O 2.85Å |
| 469 | N | 87.7 | Confident | 86.4 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 43% | 0.428 | 24% | 0.235 | S | C | . | . | trans | -136.8 | -13.3 | -173.2 | 78.6 | 83.3 | 0 | 0 | 0 | 114.1 | E344 I467 D512 | E344-N469 PolarHBondContact OE1-ND2 3.46Å; E344-N469 VanDerWaalsContact OE1-ND2 3.07Å; I467-N469 PolarHBondContact O-N 2.83Å; I467-N469 PolarHBondContact O-ND2 2.95Å; N469-D512 PolarHBondContact N-OD2 2.86Å | ||
| 470 | H | 87.9 | Confident | 85.1 | Confident | 47 Ų | 47 | 44 Ų | 44 | 22% | 0.218 | 23% | 0.229 | C | C | . | . | trans | -100.8 | 150.6 | 166.5 | -64.3 | 91.6 | 0 | 0 | 0 | 111.2 | H435 D510 L511 D512 L610 | H435-H470 AromaticContact CD2-CE1 3.36Å; H435-H470 PolarHBondContact CD2-CE1 2.93Å; H435-H470 AromaticContact NE2-CE1 3.54Å; H435-H470 AromaticContact NE2-NE2 3.93Å; H470-D510 WeakPolarHBondContact CB-OD1 3.03Å; H470-L511 HydrophobicContact CB-CB 4.08Å; H470-D512 IonicContact CE1-OD1 3.85Å; H470-D512 IonicContact CG-OD1 3.48Å; H470-D512 PolarHBondContact N-OD1 2.8Å; H470-D512 PolarHBondContact N-OD2 2.6Å; H470-D512 IonicContact ND1-OD1 2.73Å; H470-D512 PolarHBondContact ND1-OD1 2.81Å; H470-L610 VanDerWaalsContact O-CD1 3.27Å; H470-L610 WeakPolarHBondContact O-CD1 3.48Å | ||
| 471 | A | 90.2 | Very high | 83.7 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 37% | 0.372 | 24% | 0.238 | S | C | . | . | trans | -112.7 | 151.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | K473 L610 | A471-K473 PolarHBondContact O-N 2.93Å; A471-K473 VanDerWaalsContact O-N 3.08Å; A471-L610 HydrophobicContact CB-CB 3.8Å; A471-L610 HydrophobicContact CB-CD1 4.26Å | ||
| 472 | P | 91.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -58.5 | 115.2 | -170.9 | -27.5 | 32.7 | 0 | 0 | 0 | 113.5 | I474 V508 D510 V519 C601 D603 T612 | P472-I474 PolarHBondContact O-N 3.42Å; P472-V508 HydrophobicContact CB-CG1 3.94Å; P472-D510 VanDerWaalsContact CA-OD2 3.27Å; P472-D510 WeakPolarHBondContact CA-OD2 3.46Å; P472-D510 WeakPolarHBondContact CD-OD2 3.33Å; P472-D510 VanDerWaalsContact CG-OD2 3.27Å; P472-D510 WeakPolarHBondContact CG-OD2 3.44Å; P472-V519 HydrophobicContact CB-CG1 3.76Å; P472-V519 HydrophobicContact CB-CG2 4.02Å; P472-V519 HydrophobicContact CG-CG1 3.85Å; P472-V519 HydrophobicContact CG-CG2 3.96Å; P472-C601 HydrophobicContact CB-CB 4.11Å; P472-D603 HydrophobicContact CG-CB 4.02Å; P472-T612 WeakPolarHBondContact O-CB 3.19Å; P472-T612 WeakPolarHBondContact O-CG2 3.05Å; P472-T612 PolarHBondContact O-OG1 3.31Å | ||
| 473 | K | 90.6 | Very high | 80.6 | Confident | 128 Ų | 128 | 46.6 Ų | 46.6 | 56% | 0.557 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 119.4 | 176.8 | -174.7 | 178.7 | 179.8 | -178.9 | 0 | 109.8 | A471 V508 S509 | A471-K473 PolarHBondContact O-N 2.93Å; A471-K473 VanDerWaalsContact O-N 3.08Å; K473-V508 WeakPolarHBondContact O-CA 3.3Å; K473-S509 WeakPolarHBondContact CB-O 3.32Å; K473-S509 PolarHBondContact N-O 2.79Å; K473-S509 PolarHBondContact O-N 3.1Å |
| 474 | I | 88.9 | Confident | 78.7 | Confident | 22 Ų | 22 | 51 Ų | 51 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.2 | 177.4 | -51.6 | 177.1 | 0 | 0 | 0 | 109.6 | P472 I506 V508 C601 T612 I614 | P472-I474 PolarHBondContact O-N 3.42Å; I474-I506 HydrophobicContact CG2-CG2 3.81Å; I474-V508 HydrophobicContact CG1-CG1 4.21Å; I474-V508 HydrophobicContact CG2-CG2 4.46Å; I474-C601 HydrophobicContact CD1-CB 3.97Å; I474-C601 HydrophobicContact CG1-CB 4.19Å; I474-T612 HydrophobicContact CD1-CG2 3.96Å; I474-T612 HydrophobicContact CG1-CG2 4.02Å; I474-I614 HydrophobicContact CD1-CG2 4.17Å; I474-I614 HydrophobicContact CG2-CG2 3.93Å |
| 475 | Q | 86.1 | Confident | 77.1 | Confident | 63 Ų | 63 | 53 Ų | 53 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.8 | 171 | -68.4 | -177.8 | -49.2 | 0 | 0 | 110.5 | I506 I507 | Q475-I506 WeakPolarHBondContact O-CA 3.34Å; Q475-I507 HydrophobicContact CB-CB 4.35Å; Q475-I507 PolarHBondContact N-O 3.03Å; Q475-I507 PolarHBondContact O-N 3.07Å |
| 476 | I | 81.6 | Confident | 75.3 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 109.2 | 177.1 | -60.4 | 155.1 | 0 | 0 | 0 | 109.2 | K478 I491 F505 I506 I614 L616 | I476-K478 HydrophobicContact CG2-CG 4.05Å; I476-K478 PolarHBondContact O-N 3.26Å; I476-I491 HydrophobicContact CG2-CD1 4.42Å; I476-F505 CarbonylContact C-O 3.52Å; I476-I506 HydrophobicContact CG1-CG1 4.29Å; I476-I614 HydrophobicContact CD1-CD1 3.48Å; I476-I614 VanDerWaalsContact CD1-CD1 3.48Å; I476-I614 HydrophobicContact CD1-CG1 4.11Å; I476-I614 HydrophobicContact CG1-CD1 4.3Å; I476-L616 HydrophobicContact CD1-CD1 4.1Å; I476-L616 HydrophobicContact CD1-CD2 3.75Å; I476-L616 HydrophobicContact CD1-CG 3.82Å; I476-L616 HydrophobicContact CG1-CD1 4.42Å; I476-L616 HydrophobicContact CG1-CD2 4.44Å; I476-L616 HydrophobicContact CG2-CD2 4.28Å |
| 477 | K | 77.1 | Confident | 73.8 | Confident | 133 Ų | 133 | 59.9 Ų | 59.9 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 91.5 | 174.8 | -165.1 | 164.2 | -171 | 163.6 | 0 | 109.6 | G504 F505 I507 | K477-G504 WeakPolarHBondContact O-CA 3.35Å; K477-F505 HydrophobicContact CB-CB 4.36Å; K477-F505 PolarHBondContact N-O 2.9Å; K477-F505 PolarHBondContact O-N 2.75Å; K477-I507 HydrophobicContact CB-CD1 4.1Å; K477-I507 HydrophobicContact CD-CD1 3.91Å |
| 478 | K | 71.2 | Confident | 72.7 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 149.6 | -179.8 | -57.2 | -178.1 | -174.7 | -177.7 | 0 | 111.8 | I476 N482 D485 S488 E490 I491 | I476-K478 HydrophobicContact CG2-CG 4.05Å; I476-K478 PolarHBondContact O-N 3.26Å; K478-N482 HydrophobicContact CB-CB 3.91Å; K478-N482 HydrophobicContact CD-CB 4.14Å; K478-N482 WeakPolarHBondContact CD-O 3.28Å; K478-D485 PolarHBondContact NZ-O 3.22Å; K478-S488 VanDerWaalsContact CE-O 3.26Å; K478-S488 WeakPolarHBondContact CE-O 3.42Å; K478-S488 PolarHBondContact NZ-O 3.05Å; K478-S488 PolarHBondContact NZ-OG 2.71Å; K478-E490 WeakPolarHBondContact CE-O 3.41Å; K478-E490 PolarHBondContact NZ-O 2.8Å; K478-I491 HydrophobicContact CD-CG1 4.44Å; K478-I491 HydrophobicContact CG-CG1 4.36Å |
| 479 | V | 65.6 | Low | 72.1 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | trans | -110.9 | 149.4 | -178.6 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | N482 I503 F505 | V479-N482 PolarHBondContact O-ND2 3.46Å; V479-I503 PolarHBondContact N-O 2.84Å; V479-F505 HydrophobicContact CG2-CD2 3.86Å; V479-F505 HydrophobicContact CG2-CE2 3.59Å | ||
| 480 | G | 61.2 | Low | 71.7 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | 72.6 | -155 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | N482 K483 | G480-N482 PolarHBondContact O-N 2.9Å; G480-K483 PolarHBondContact O-N 3.39Å |
| 481 | C | 59.7 | Low | 71.2 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -65.9 | -7.5 | -177.8 | -46 | 0 | 0 | 0 | 0 | 114.1 | K483 F484 I626 D627 | C481-K483 PolarHBondContact O-N 2.99Å; C481-F484 WeakPolarHBondContact O-CD2 3.39Å; C481-I626 HydrophobicContact CB-CG2 3.68Å; C481-I626 WeakPolarHBondContact SG-CG2 3.38Å; C481-D627 PolarHBondContact SG-O 2.88Å |
| 482 | N | 57.8 | Low | 70.5 | Confident | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -63.2 | -5.5 | 173.3 | -71.7 | -64.9 | 0 | 0 | 0 | 114.4 | K478 V479 G480 F484 K492 | K478-N482 HydrophobicContact CB-CB 3.91Å; K478-N482 HydrophobicContact CD-CB 4.14Å; K478-N482 WeakPolarHBondContact CD-O 3.28Å; V479-N482 PolarHBondContact O-ND2 3.46Å; G480-N482 PolarHBondContact O-N 2.9Å; N482-F484 PolarHBondContact O-N 3.28Å; N482-K492 PolarHBondContact ND2-O 3.17Å; N482-K492 WeakPolarHBondContact OD1-CB 3.34Å; N482-K492 PolarHBondContact OD1-N 2.7Å; N482-K492 PolarHBondContact OD1-O 3.19Å |
| 483 | K | 55.9 | Low | 69.8 | Low | 60 Ų | 60 | 59.3 Ų | 59.3 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -60.6 | -22.6 | -179.1 | -77.2 | -175.2 | -179.4 | -167.6 | 0 | 115.2 | G480 C481 I486 E631 | G480-K483 PolarHBondContact O-N 3.39Å; C481-K483 PolarHBondContact O-N 2.99Å; K483-I486 WeakPolarHBondContact O-CG1 3.37Å; K483-E631 PolarHBondContact NZ-O 3.15Å |
| 484 | F | 51.3 | Low | 68.9 | Low | 125 Ų | 125 | 54 Ų | 54 | 55% | 0.548 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -86 | -23.3 | -174.4 | -59.8 | -78.2 | 0 | 0 | 0 | 114.2 | C481 N482 I486 C629 | C481-F484 WeakPolarHBondContact O-CD2 3.39Å; N482-F484 PolarHBondContact O-N 3.28Å; F484-I486 PolarHBondContact O-N 3.1Å; F484-C629 HydrophobicContact CE2-CB 3.59Å; F484-C629 HydrophobicContact CZ-CB 3.94Å |
| 485 | D | 56 | Low | 67.9 | Low | 58 Ų | 58 | 59 Ų | 59 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | trans | -79 | 65.5 | 170.7 | -75.1 | -39.1 | 0 | 0 | 0 | 109.6 | K478 K492 | K478-D485 PolarHBondContact NZ-O 3.22Å; D485-K492 IonicContact OD1-NZ 3.82Å; D485-K492 IonicContact OD2-NZ 2.67Å; D485-K492 PolarHBondContact OD2-NZ 2.58Å | ||
| 486 | I | 52.2 | Low | 67.1 | Low | 111 Ų | 111 | 60.5 Ų | 60.5 | 57% | 0.569 | 31% | 0.309 | S | S | * | . | trans | -64.6 | -43.9 | -172.3 | -61.2 | 175.3 | 0 | 0 | 0 | 111.6 | K483 F484 | K483-I486 WeakPolarHBondContact O-CG1 3.37Å; F484-I486 PolarHBondContact O-N 3.1Å | ||
| 487 | E | 58.9 | Low | 66.7 | Low | 138 Ų | 138 | 60.1 Ų | 60.1 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -81.9 | -16.2 | -175.1 | -64.1 | 177.2 | -178.4 | 0 | 0 | 114.3 | H389 | H389-E487 IonicContact CE1-OE1 3.7Š|
| 488 | S | 66 | Low | 66.5 | Low | 36 Ų | 36 | 60.9 Ų | 60.9 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | trans | -82.6 | 139.8 | -177.3 | 93.7 | 0 | 0 | 0 | 0 | 110.9 | K478 E490 | K478-S488 VanDerWaalsContact CE-O 3.26Å; K478-S488 WeakPolarHBondContact CE-O 3.42Å; K478-S488 PolarHBondContact NZ-O 3.05Å; K478-S488 PolarHBondContact NZ-OG 2.71Å; S488-E490 PolarHBondContact O-N 2.9Å; S488-E490 WeakPolarHBondContact OG-CB 3.29Å; S488-E490 PolarHBondContact OG-N 2.69Å; S488-E490 VanDerWaalsContact OG-N 3.11Å; S488-E490 PolarHBondContact OG-O 3.04Å | ||
| 489 | N | 75.8 | Confident | 66.8 | Low | 69 Ų | 69 | 63.3 Ų | 63.3 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -78.7 | 16.5 | 163.2 | -70.8 | -16.7 | 0 | 0 | 0 | 112.3 | N615 L617 | N489-N615 WeakPolarHBondContact CB-O 3.47Å; N489-N615 PolarHBondContact ND2-O 3.13Å; N489-N615 VanDerWaalsContact ND2-O 3.15Å; N489-L617 PolarHBondContact O-N 2.82Å |
| 490 | E | 78.9 | Confident | 67.3 | Low | 45 Ų | 45 | 62 Ų | 62 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 133.4 | -179.5 | -169.2 | -177.2 | -157.5 | 0 | 0 | 111.9 | K478 S488 K492 L617 T619 | K478-E490 WeakPolarHBondContact CE-O 3.41Å; K478-E490 PolarHBondContact NZ-O 2.8Å; S488-E490 PolarHBondContact O-N 2.9Å; S488-E490 WeakPolarHBondContact OG-CB 3.29Å; S488-E490 PolarHBondContact OG-N 2.69Å; S488-E490 VanDerWaalsContact OG-N 3.11Å; S488-E490 PolarHBondContact OG-O 3.04Å; E490-K492 HydrophobicContact CG-CG 4.43Å; E490-K492 WeakPolarHBondContact OE2-CE 3.48Å; E490-K492 IonicContact OE2-NZ 3.42Å; E490-K492 PolarHBondContact OE2-NZ 3.46Å; E490-L617 CarbonylContact C-O 3.45Å; E490-L617 VanDerWaalsContact CA-O 3.26Å; E490-L617 WeakPolarHBondContact CA-O 3.47Å; E490-L617 HydrophobicContact CB-CB 4.49Å; E490-L617 HydrophobicContact CB-CD2 4.5Å; E490-L617 HydrophobicContact CG-CD2 4.18Å; E490-L617 HydrophobicContact CG-CG 4.44Å; E490-T619 WeakPolarHBondContact OE1-CB 3.26Å; E490-T619 PolarHBondContact OE1-OG1 2.88Å |
| 491 | I | 79.3 | Confident | 68.1 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.6 | 167.8 | -54.5 | -179.3 | 0 | 0 | 0 | 108.5 | I476 K478 I493 I503 L558 L616 L617 I618 T619 | I476-I491 HydrophobicContact CG2-CD1 4.42Å; K478-I491 HydrophobicContact CD-CG1 4.44Å; K478-I491 HydrophobicContact CG-CG1 4.36Å; I491-I493 HydrophobicContact CG2-CG2 4.07Å; I491-I503 HydrophobicContact CG2-CB 4.28Å; I491-L558 HydrophobicContact CD1-CD1 4.01Å; I491-L616 HydrophobicContact CD1-CD2 3.74Å; I491-L616 HydrophobicContact CG1-CD2 4.05Å; I491-L617 PolarHBondContact N-O 2.92Å; I491-I618 HydrophobicContact CB-CD1 3.96Å; I491-I618 HydrophobicContact CD1-CD1 4.22Å; I491-I618 HydrophobicContact CG1-CD1 4.31Å; I491-T619 PolarHBondContact O-N 3.06Å |
| 492 | K | 75.4 | Confident | 69.1 | Low | 69 Ų | 69 | 67.7 Ų | 67.7 | 30% | 0.3 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.6 | 176.3 | -66.6 | 152 | -173 | 155.7 | 0 | 109.2 | N482 D485 E490 T619 T621 | N482-K492 PolarHBondContact ND2-O 3.17Å; N482-K492 WeakPolarHBondContact OD1-CB 3.34Å; N482-K492 PolarHBondContact OD1-N 2.7Å; N482-K492 PolarHBondContact OD1-O 3.19Å; D485-K492 IonicContact OD1-NZ 3.82Å; D485-K492 IonicContact OD2-NZ 2.67Å; D485-K492 PolarHBondContact OD2-NZ 2.58Å; E490-K492 HydrophobicContact CG-CG 4.43Å; E490-K492 WeakPolarHBondContact OE2-CE 3.48Å; E490-K492 IonicContact OE2-NZ 3.42Å; E490-K492 PolarHBondContact OE2-NZ 3.46Å; K492-T619 CarbonylContact C-O 3.54Å; K492-T619 WeakPolarHBondContact CA-O 3.48Å; K492-T621 HydrophobicContact CB-CG2 4.18Å; K492-T621 HydrophobicContact CG-CG2 4.2Å |
| 493 | I | 76.5 | Confident | 70.2 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.2 | -178.7 | 66.8 | 174.6 | 0 | 0 | 0 | 110.2 | I491 I497 I503 V560 I618 T619 V620 T621 | I491-I493 HydrophobicContact CG2-CG2 4.07Å; I493-I497 HydrophobicContact CB-CD1 4.27Å; I493-I497 HydrophobicContact CD1-CG2 4.47Å; I493-I497 HydrophobicContact CG2-CD1 4.47Å; I493-I503 HydrophobicContact CG2-CB 4.27Å; I493-I503 HydrophobicContact CG2-CD1 4.47Å; I493-I503 HydrophobicContact CG2-CG2 3.74Å; I493-V560 HydrophobicContact CD1-CG2 4.47Å; I493-I618 HydrophobicContact CD1-CG2 3.77Å; I493-I618 HydrophobicContact CG1-CG2 4.19Å; I493-I618 HydrophobicContact CG2-CG2 4.49Å; I493-T619 PolarHBondContact N-O 2.87Å; I493-V620 HydrophobicContact CD1-CG2 4.23Å; I493-V620 HydrophobicContact CG1-CG2 4.05Å; I493-V620 CarbonylContact O-C 3.58Å; I493-V620 VanDerWaalsContact O-CA 3.31Å; I493-V620 WeakPolarHBondContact O-CA 3.24Å; I493-T621 PolarHBondContact O-N 3.46Å |
| 494 | S | 71.2 | Confident | 71.4 | Confident | 18 Ų | 18 | 64 Ų | 64 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 141.7 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | T496 I497 T621 | S494-T496 PolarHBondContact O-N 2.86Å; S494-T496 VanDerWaalsContact O-N 3.1Å; S494-T496 PolarHBondContact OG-N 2.94Å; S494-T496 VanDerWaalsContact OG-N 3.11Å; S494-T496 PolarHBondContact OG-OG1 3.04Å; S494-I497 WeakPolarHBondContact O-CB 3.37Å; S494-I497 VanDerWaalsContact O-CG2 3.27Å; S494-I497 WeakPolarHBondContact O-CG2 3.25Å; S494-I497 PolarHBondContact O-N 2.88Å; S494-T621 WeakPolarHBondContact CA-O 3.31Å |
| 495 | E | 68.7 | Low | 73 | Confident | 125 Ų | 125 | 61.1 Ų | 61.1 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.4 | 167.7 | 61.7 | 169.7 | -160.5 | 0 | 0 | 113.4 | R562 V620 T621 | E495-R562 PolarHBondContact O-NH1 2.89Å; E495-V620 HydrophobicContact CB-CG1 3.82Å; E495-T621 PolarHBondContact N-O 3.42Å; E495-T621 VanDerWaalsContact N-O 3.11Å |
| 496 | T | 70 | Confident | 74.5 | Confident | 95 Ų | 95 | 58.3 Ų | 58.3 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.9 | 176.7 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | S494 | S494-T496 PolarHBondContact O-N 2.86Å; S494-T496 VanDerWaalsContact O-N 3.1Å; S494-T496 PolarHBondContact OG-N 2.94Å; S494-T496 VanDerWaalsContact OG-N 3.11Å; S494-T496 PolarHBondContact OG-OG1 3.04Å |
| 497 | I | 73 | Confident | 76.3 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 141.9 | -178.3 | -163 | 165.4 | 0 | 0 | 0 | 112.1 | I493 S494 I503 F540 V560 | I493-I497 HydrophobicContact CB-CD1 4.27Å; I493-I497 HydrophobicContact CD1-CG2 4.47Å; I493-I497 HydrophobicContact CG2-CD1 4.47Å; S494-I497 WeakPolarHBondContact O-CB 3.37Å; S494-I497 VanDerWaalsContact O-CG2 3.27Å; S494-I497 WeakPolarHBondContact O-CG2 3.25Å; S494-I497 PolarHBondContact O-N 2.88Å; I497-I503 HydrophobicContact CD1-CG2 3.59Å; I497-F540 HydrophobicContact CG2-CE1 4.14Å; I497-V560 HydrophobicContact CD1-CG2 4.3Å; I497-V560 HydrophobicContact CG2-CG1 4.32Å |
| 498 | E | 71.9 | Confident | 77.8 | Confident | 150 Ų | 150 | 47.6 Ų | 47.6 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -79.7 | 155.2 | -176.8 | -61 | -169.2 | 151.1 | 0 | 0 | 112.2 | G500 S501 | E498-G500 PolarHBondContact O-N 3.05Å; E498-S501 PolarHBondContact O-N 2.93Å; E498-S501 PolarHBondContact O-OG 2.87Å; E498-S501 VanDerWaalsContact O-OG 3.14Å |
| 499 | S | 76.7 | Confident | 78.9 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 47% | 0.469 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 126.3 | 173.9 | -155.9 | 0 | 0 | 0 | 0 | 109.3 | R562 | S499-R562 PolarHBondContact OG-N 2.04Å; S499-R562 PolarHBondContact OG-O 2.93Å |
| 500 | G | 77.7 | Confident | 79.6 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -5.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E498 Q559 V560 | E498-G500 PolarHBondContact O-N 3.05Å; G500-Q559 WeakPolarHBondContact O-CG 3.47Å; G500-Q559 PolarHBondContact O-NE2 2.54Å; G500-V560 WeakPolarHBondContact CA-O 3.46Å; G500-V560 PolarHBondContact N-O 2.97Å |
| 501 | S | 77.7 | Confident | 80.1 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | trans | -62.1 | 141.4 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | E498 V560 | E498-S501 PolarHBondContact O-N 2.93Å; E498-S501 PolarHBondContact O-OG 2.87Å; E498-S501 VanDerWaalsContact O-OG 3.14Å; S501-V560 PolarHBondContact O-N 3.06Å | ||
| 502 | Y | 80.8 | Confident | 80.6 | Confident | 135 Ų | 135 | 46.8 Ų | 46.8 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.2 | 173.2 | -46.5 | -52.2 | 0 | 0 | 0 | 110.2 | T557 Q559 | Y502-T557 HydrophobicContact CD1-CG2 3.37Å; Y502-T557 HydrophobicContact CE1-CG2 3.99Å; Y502-T557 HydrophobicContact CG-CG2 3.87Å; Y502-Q559 HydrophobicContact CD1-CB 4.24Å; Y502-Q559 HydrophobicContact CD1-CG 4.28Å; Y502-Q559 HydrophobicContact CE1-CG 4.4Å |
| 503 | I | 80.8 | Confident | 81.1 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -17.5 | -176.6 | 56.1 | 165.5 | 0 | 0 | 0 | 113.7 | V479 I491 I493 I497 I542 L558 V560 I618 | V479-I503 PolarHBondContact N-O 2.84Å; I491-I503 HydrophobicContact CG2-CB 4.28Å; I493-I503 HydrophobicContact CG2-CB 4.27Å; I493-I503 HydrophobicContact CG2-CD1 4.47Å; I493-I503 HydrophobicContact CG2-CG2 3.74Å; I497-I503 HydrophobicContact CD1-CG2 3.59Å; I503-I542 HydrophobicContact CD1-CD1 3.93Å; I503-L558 HydrophobicContact CD1-CB 4.43Å; I503-L558 HydrophobicContact CG1-CB 3.85Å; I503-L558 WeakPolarHBondContact CG1-O 3.14Å; I503-L558 PolarHBondContact N-O 2.86Å; I503-V560 HydrophobicContact CB-CG2 4.39Å; I503-V560 HydrophobicContact CD1-CG2 3.89Å; I503-V560 HydrophobicContact CG1-CG2 4.11Å; I503-V560 HydrophobicContact CG2-CG2 3.44Å; I503-V560 VanDerWaalsContact CG2-CG2 3.44Å; I503-I618 HydrophobicContact CD1-CD1 4.1Å |
| 504 | G | 80.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 159.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K477 L558 | K477-G504 WeakPolarHBondContact O-CA 3.35Å; G504-L558 WeakPolarHBondContact O-CB 3.4Å; G504-L558 PolarHBondContact O-N 2.82Å |
| 505 | F | 86.1 | Confident | 82.3 | Confident | 65 Ų | 65 | 54 Ų | 54 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 146.9 | 164.1 | -56.3 | -81.1 | 0 | 0 | 0 | 109 | I476 K477 V479 L555 Y556 T557 | I476-F505 CarbonylContact C-O 3.52Å; K477-F505 HydrophobicContact CB-CB 4.36Å; K477-F505 PolarHBondContact N-O 2.9Å; K477-F505 PolarHBondContact O-N 2.75Å; V479-F505 HydrophobicContact CG2-CD2 3.86Å; V479-F505 HydrophobicContact CG2-CE2 3.59Å; F505-L555 HydrophobicContact CB-CD1 3.91Å; F505-L555 HydrophobicContact CD1-CD1 4.23Å; F505-L555 HydrophobicContact CG-CD1 4.36Å; F505-Y556 CarbonylContact C-O 3.17Å; F505-Y556 WeakPolarHBondContact CA-O 3.33Å; F505-T557 HydrophobicContact CD1-CG2 4.25Å; F505-T557 HydrophobicContact CE1-CG2 4.06Å |
| 506 | I | 87.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.3 | 169.9 | -72.7 | 166.2 | 0 | 0 | 0 | 106.9 | I474 Q475 I476 V508 L544 Y556 L558 I599 L616 | I474-I506 HydrophobicContact CG2-CG2 3.81Å; Q475-I506 WeakPolarHBondContact O-CA 3.34Å; I476-I506 HydrophobicContact CG1-CG1 4.29Å; I506-V508 HydrophobicContact CG2-CG2 3.64Å; I506-L544 HydrophobicContact CD1-CD1 3.8Å; I506-Y556 PolarHBondContact N-O 2.81Å; I506-Y556 PolarHBondContact O-N 3.19Å; I506-L558 HydrophobicContact CD1-CD1 3.96Å; I506-L558 HydrophobicContact CD1-CD2 3.76Å; I506-L558 HydrophobicContact CD1-CG 3.88Å; I506-L558 HydrophobicContact CG1-CD1 4.28Å; I506-L558 HydrophobicContact CG1-CG 4.33Å; I506-I599 HydrophobicContact CD1-CD1 3.26Å; I506-L616 HydrophobicContact CD1-CD1 3.99Å |
| 507 | I | 88.6 | Confident | 84 | Confident | 23 Ų | 23 | 45.1 Ų | 45.1 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.3 | -179.4 | -60.1 | 173.8 | 0 | 0 | 0 | 105.5 | Q475 K477 Q553 L555 | Q475-I507 HydrophobicContact CB-CB 4.35Å; Q475-I507 PolarHBondContact N-O 3.03Å; Q475-I507 PolarHBondContact O-N 3.07Å; K477-I507 HydrophobicContact CB-CD1 4.1Å; K477-I507 HydrophobicContact CD-CD1 3.91Å; I507-Q553 HydrophobicContact CG2-CB 3.85Å; I507-Q553 HydrophobicContact CG2-CG 4.18Å; I507-Q553 VanDerWaalsContact CG2-OE1 3.24Å; I507-L555 HydrophobicContact CG1-CD1 4Å |
| 508 | V | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.1 | -176.9 | -164.9 | 0 | 0 | 0 | 0 | 108.9 | P472 K473 I474 I506 V519 Y554 Y556 C601 | P472-V508 HydrophobicContact CB-CG1 3.94Å; K473-V508 WeakPolarHBondContact O-CA 3.3Å; I474-V508 HydrophobicContact CG1-CG1 4.21Å; I474-V508 HydrophobicContact CG2-CG2 4.46Å; I506-V508 HydrophobicContact CG2-CG2 3.64Å; V508-V519 HydrophobicContact CG1-CG1 3.87Å; V508-Y554 PolarHBondContact N-O 2.97Å; V508-Y554 PolarHBondContact O-N 2.82Å; V508-Y556 HydrophobicContact CG2-CD2 4.18Å; V508-Y556 HydrophobicContact CG2-CE2 4.12Å; V508-C601 HydrophobicContact CG1-CB 4.06Å |
| 509 | S | 90.6 | Very high | 85.7 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.5 | 179 | 64.2 | 0 | 0 | 0 | 0 | 109.9 | K473 | K473-S509 WeakPolarHBondContact CB-O 3.32Å; K473-S509 PolarHBondContact N-O 2.79Å; K473-S509 PolarHBondContact O-N 3.1Å |
| 510 | D | 90 | Very high | 86.3 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | trans | -101.1 | 159.3 | 158.3 | -141.2 | -57.9 | 0 | 0 | 0 | 109.6 | H470 P472 D512 V519 | H470-D510 WeakPolarHBondContact CB-OD1 3.03Å; P472-D510 VanDerWaalsContact CA-OD2 3.27Å; P472-D510 WeakPolarHBondContact CA-OD2 3.46Å; P472-D510 WeakPolarHBondContact CD-OD2 3.33Å; P472-D510 VanDerWaalsContact CG-OD2 3.27Å; P472-D510 WeakPolarHBondContact CG-OD2 3.44Å; D510-D512 PolarHBondContact OD1-N 3.48Å; D510-V519 HydrophobicContact CB-CG2 3.89Å | ||
| 511 | L | 89.5 | Confident | 87 | Confident | 88 Ų | 88 | 39.8 Ų | 39.8 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | trans | -101.6 | -25.3 | 179.7 | -65.8 | 179.6 | 0 | 0 | 0 | 112.4 | H435 H470 | H435-L511 HydrophobicContact CB-CB 4.16Å; H435-L511 WeakPolarHBondContact CB-O 3.45Å; H470-L511 HydrophobicContact CB-CB 4.08Å | ||
| 512 | D | 89.7 | Confident | 87.6 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -70.3 | 166.4 | -178.7 | -63.5 | -17.9 | 0 | 0 | 0 | 112.5 | N468 N469 H470 D510 N516 G517 | N468-D512 VanDerWaalsContact CA-OD2 3.25Å; N468-D512 WeakPolarHBondContact CA-OD2 3.15Å; N469-D512 PolarHBondContact N-OD2 2.86Å; H470-D512 IonicContact CE1-OD1 3.85Å; H470-D512 IonicContact CG-OD1 3.48Å; H470-D512 PolarHBondContact N-OD1 2.8Å; H470-D512 PolarHBondContact N-OD2 2.6Å; H470-D512 IonicContact ND1-OD1 2.73Å; H470-D512 PolarHBondContact ND1-OD1 2.81Å; D510-D512 PolarHBondContact OD1-N 3.48Å; D512-N516 HydrophobicContact CB-CB 3.56Å; D512-G517 VanDerWaalsContact O-CA 3.26Å; D512-G517 WeakPolarHBondContact O-CA 3.48Å; D512-G517 PolarHBondContact O-N 3.46Å |
| 513 | L | 86.4 | Confident | 87.8 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | trans | -109.1 | 149 | -166.7 | -57.6 | 176.9 | 0 | 0 | 0 | 114 | A434 K438 D466 E515 N516 | A434-L513 HydrophobicContact CB-CD1 4.13Å; K438-L513 HydrophobicContact CD-CD1 3.79Å; K438-L513 VanDerWaalsContact CE-CD1 3.41Å; K438-L513 HydrophobicContact CG-CD1 3.82Å; D466-L513 HydrophobicContact CB-CB 4Å; D466-L513 HydrophobicContact CB-CD1 4.21Å; D466-L513 HydrophobicContact CB-CG 4.36Å; D466-L513 VanDerWaalsContact CG-N 3.27Å; D466-L513 VanDerWaalsContact OD1-CB 3.27Å; D466-L513 WeakPolarHBondContact OD1-CB 3.46Å; D466-L513 WeakPolarHBondContact OD1-CG 3.16Å; D466-L513 PolarHBondContact OD1-N 3.07Å; D466-L513 PolarHBondContact OD2-N 2.77Å; D466-L513 VanDerWaalsContact OD2-N 3.08Å; L513-E515 PolarHBondContact O-N 2.79Å; L513-N516 WeakPolarHBondContact O-CB 3.43Å; L513-N516 PolarHBondContact O-N 3.37Å | ||
| 514 | G | 85.2 | Confident | 87.8 | Confident | 59 Ų | 59 | 47 Ų | 47 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -114.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q518 | G514-Q518 WeakPolarHBondContact O-CG 3.33Å; G514-Q518 PolarHBondContact O-NE2 2.85Å |
| 515 | E | 86.4 | Confident | 87.2 | Confident | 143 Ų | 143 | 50.9 Ų | 50.9 | 67% | 0.668 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -26.2 | 174 | -66.4 | -171.9 | 142.5 | 0 | 0 | 112.2 | L513 Q518 H604 | L513-E515 PolarHBondContact O-N 2.79Å; E515-Q518 PolarHBondContact O-N 2.7Å; E515-H604 CarbonylContact O-C 3.17Å; E515-H604 WeakPolarHBondContact O-CB 3.36Å |
| 516 | N | 88.6 | Confident | 86 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -53.9 | 176.4 | -66 | -20.1 | 0 | 0 | 0 | 110.2 | D466 N468 D512 L513 Q518 D603 G605 S606 | D466-N516 PolarHBondContact OD2-ND2 2.66Å; N468-N516 HydrophobicContact CB-CB 4.18Å; N468-N516 PolarHBondContact N-ND2 3.28Å; N468-N516 WeakPolarHBondContact OD1-CA 3.17Å; N468-N516 WeakPolarHBondContact OD1-CB 3.24Å; N468-N516 PolarHBondContact OD1-O 3.16Å; D512-N516 HydrophobicContact CB-CB 3.56Å; L513-N516 WeakPolarHBondContact O-CB 3.43Å; L513-N516 PolarHBondContact O-N 3.37Å; N516-Q518 PolarHBondContact O-N 2.78Å; N516-Q518 VanDerWaalsContact O-N 3.08Å; N516-D603 WeakPolarHBondContact O-CB 3.43Å; N516-G605 WeakPolarHBondContact OD1-CA 3.3Å; N516-S606 PolarHBondContact OD1-N 2.8Å |
| 517 | G | 86.6 | Confident | 84.4 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 13.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | D512 | D512-G517 VanDerWaalsContact O-CA 3.26Å; D512-G517 WeakPolarHBondContact O-CA 3.48Å; D512-G517 PolarHBondContact O-N 3.46Å |
| 518 | Q | 89 | Confident | 82.5 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 36% | 0.36 | 33% | 0.333 | S | S | . | . | trans | -91.2 | 122.8 | 178.3 | -78.1 | 178.5 | 59.5 | 0 | 0 | 112 | G514 E515 N516 Y554 D603 H604 | G514-Q518 WeakPolarHBondContact O-CG 3.33Å; G514-Q518 PolarHBondContact O-NE2 2.85Å; E515-Q518 PolarHBondContact O-N 2.7Å; N516-Q518 PolarHBondContact O-N 2.78Å; N516-Q518 VanDerWaalsContact O-N 3.08Å; Q518-Y554 WeakPolarHBondContact CA-OH 3.07Å; Q518-Y554 WeakPolarHBondContact CG-OH 3.47Å; Q518-D603 CarbonylContact O-C 3.59Å; Q518-D603 VanDerWaalsContact O-CA 3.26Å; Q518-D603 WeakPolarHBondContact O-CA 3.45Å; Q518-H604 HydrophobicContact CB-CB 4.1Å; Q518-H604 PolarHBondContact O-CD2 2.83Å; Q518-H604 PolarHBondContact O-N 2.84Å | ||
| 519 | V | 90.3 | Very high | 80.4 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.03 | 36% | 0.36 | C | S | . | . | trans | -116.1 | 137.8 | -169.4 | -168.8 | 0 | 0 | 0 | 0 | 113.1 | P472 V508 D510 Y554 C601 K602 | P472-V519 HydrophobicContact CB-CG1 3.76Å; P472-V519 HydrophobicContact CB-CG2 4.02Å; P472-V519 HydrophobicContact CG-CG1 3.85Å; P472-V519 HydrophobicContact CG-CG2 3.96Å; V508-V519 HydrophobicContact CG1-CG1 3.87Å; D510-V519 HydrophobicContact CB-CG2 3.89Å; V519-Y554 HydrophobicContact CB-CD2 3.77Å; V519-Y554 HydrophobicContact CB-CE2 3.89Å; V519-Y554 HydrophobicContact CB-CG 4.43Å; V519-Y554 HydrophobicContact CG2-CD2 4.06Å; V519-Y554 HydrophobicContact CG2-CE2 4.02Å; V519-C601 HydrophobicContact CG1-CB 3.84Å; V519-K602 WeakPolarHBondContact CA-O 3.43Å | ||
| 520 | T | 91 | Very high | 78.3 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.9 | 169.8 | 37.1 | 0 | 0 | 0 | 0 | 110.8 | C601 K602 H604 | T520-C601 CarbonylContact O-C 3.52Å; T520-C601 WeakPolarHBondContact O-CA 3.42Å; T520-K602 PolarHBondContact N-O 3.16Å; T520-K602 PolarHBondContact O-N 2.99Å; T520-K602 PolarHBondContact OG1-O 3.09Å; T520-H604 WeakPolarHBondContact CB-NE2 3.34Å; T520-H604 WeakPolarHBondContact CG2-NE2 3.32Å; T520-H604 PolarHBondContact OG1-NE2 3.35Å |
| 521 | C | 91.8 | Very high | 76 | Confident | 17 Ų | 17 | 80.1 Ų | 80.1 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.4 | -177.3 | -53.8 | 0 | 0 | 0 | 0 | 113.6 | Y556 T600 C601 | C521-Y556 HydrophobicContact CB-CE1 4.02Å; C521-Y556 HydrophobicContact CB-CE2 4.06Å; C521-Y556 PolarHBondContact N-OH 3.12Å; C521-T600 CarbonylContact C-O 3.51Å; C521-T600 VanDerWaalsContact CA-O 3.24Å; C521-T600 WeakPolarHBondContact CA-O 3.33Å; C521-C601 HydrophobicContact CB-CB 4.1Å; C521-C601 WeakPolarHBondContact CB-SG 3.28Å; C521-C601 WeakPolarHBondContact SG-CB 3.47Å; C521-C601 CovalentContact SG-SG 2.04Å; C521-C601 PolarHBondContact SG-SG 2.78Å |
| 522 | D | 89.3 | Confident | 73.6 | Confident | 128 Ų | 128 | 84.8 Ų | 84.8 | 68% | 0.684 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 151.7 | 176.8 | -78.6 | -55 | 0 | 0 | 0 | 111.4 | I599 T600 | D522-I599 WeakPolarHBondContact O-CA 3.2Å; D522-T600 PolarHBondContact N-O 2.87Å; D522-T600 PolarHBondContact O-N 3.43Å |
| 523 | Q | 86.1 | Confident | 71.4 | Confident | 62 Ų | 62 | 90.6 Ų | 90.6 | 29% | 0.29 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141 | 171.5 | 67 | 166.4 | 21.6 | 0 | 0 | 112.5 | I542 L544 I597 I599 | Q523-I542 PolarHBondContact NE2-O 3.35Å; Q523-L544 HydrophobicContact CB-CB 4.25Å; Q523-L544 HydrophobicContact CB-CD2 4.28Å; Q523-L544 HydrophobicContact CG-CB 4.06Å; Q523-L544 VanDerWaalsContact OE1-CB 3.32Å; Q523-L544 VanDerWaalsContact OE1-N 3.12Å; Q523-I597 HydrophobicContact CB-CG2 4.44Å; Q523-I599 HydrophobicContact CB-CG1 4.1Å |
| 524 | K | 80.5 | Confident | 69.2 | Low | 139 Ų | 139 | 95.2 Ų | 95.2 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147.6 | 166.8 | -67.3 | 176.2 | -178.1 | 171 | 0 | 108.9 | I598 | K524-I598 PolarHBondContact N-O 3.07Å; K524-I598 PolarHBondContact O-N 2.95Å |
| 525 | L | 67.2 | Low | 67.3 | Low | 80 Ų | 80 | 96 Ų | 96 | 42% | 0.419 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.9 | 167 | -133 | 79.5 | 0 | 0 | 0 | 108 | W534 I597 | L525-W534 HydrophobicContact CD2-CH2 3.5Å; L525-W534 VanDerWaalsContact CD2-CH2 3.5Å; L525-W534 HydrophobicContact CD2-CZ2 3.84Å; L525-I597 HydrophobicContact CD1-CB 4.4Å; L525-I597 HydrophobicContact CD1-CG1 3.89Å; L525-I597 HydrophobicContact CD1-CG2 4.28Å |
| 526 | E | 61.6 | Low | 65.4 | Low | 114 Ų | 114 | 96.4 Ų | 96.4 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140 | 169.7 | -77.6 | -166.7 | 178.4 | 0 | 0 | 110.1 | Y528 I598 | E526-Y528 PolarHBondContact O-N 3.26Å; E526-I598 HydrophobicContact CB-CD1 4.14Å; E526-I598 VanDerWaalsContact CD-CD1 3.46Å; E526-I598 HydrophobicContact CG-CD1 3.87Å; E526-I598 WeakPolarHBondContact OE2-CD1 3.36Å |
| 527 | D | 52.9 | Low | 63.7 | Low | 96 Ų | 96 | 100.1 Ų | 100.1 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | trans | -91.1 | 102.6 | -165.3 | -153.7 | 2.7 | 0 | 0 | 0 | 109.9 | N529 W534 | D527-N529 PolarHBondContact O-N 2.83Å; D527-W534 PolarHBondContact OD1-NE1 3.11Å; D527-W534 PolarHBondContact OD2-NE1 3.46Å | ||
| 528 | Y | 49.5 | Very low | 61.9 | Low | 150 Ų | 150 | 102.9 Ų | 102.9 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -69.9 | 7.3 | -167.9 | -161.7 | -112.5 | 0 | 0 | 0 | 114.6 | E526 M596 | E526-Y528 PolarHBondContact O-N 3.26Å; Y528-M596 HydrophobicContact CD2-CE 3.62Å; Y528-M596 HydrophobicContact CD2-SD 4.35Å; Y528-M596 HydrophobicContact CE2-CE 3.59Å |
| 529 | N | 46.3 | Very low | 60.6 | Low | 106 Ų | 106 | 102.4 Ų | 102.4 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | trans | -153.1 | 121.8 | 171.3 | -83.6 | -91.3 | 0 | 0 | 0 | 110.7 | D527 N531 | D527-N529 PolarHBondContact O-N 2.83Å; N529-N531 PolarHBondContact O-N 3.36Å | ||
| 530 | D | 45.8 | Very low | 59.5 | Low | 158 Ų | 158 | 103.8 Ų | 103.8 | 85% | 0.845 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -56.3 | -3.6 | 175.5 | -81.8 | -58.1 | 0 | 0 | 0 | 116.1 | H532 | D530-H532 PolarHBondContact O-N 3.49Å; D530-H532 PolarHBondContact O-ND1 3.16Å |
| 531 | N | 43.3 | Very low | 58.7 | Low | 116 Ų | 116 | 106.6 Ų | 106.6 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -93 | 56.9 | -168.9 | -75.3 | -65 | 0 | 0 | 0 | 114.3 | N529 N533 | N529-N531 PolarHBondContact O-N 3.36Å; N531-N533 VanDerWaalsContact O-CB 3.31Å; N531-N533 WeakPolarHBondContact O-CB 3.49Å; N531-N533 PolarHBondContact O-N 3.01Å; N531-N533 PolarHBondContact O-ND2 3.46Å |
| 532 | H | 38.5 | Very low | 58.2 | Low | 185 Ų | 185 | 106 Ų | 106 | 86% | 0.856 | 53% | 0.527 | S | S | * | . | trans | 30.4 | 54.6 | 149.2 | -79.6 | 67.9 | 0 | 0 | 0 | 117 | D530 | D530-H532 PolarHBondContact O-N 3.49Å; D530-H532 PolarHBondContact O-ND1 3.16Å | ||
| 533 | N | 42.5 | Very low | 58 | Low | 131 Ų | 131 | 101.8 Ų | 101.8 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | trans | -134.5 | 21.8 | -174.8 | -91.4 | -76.2 | 0 | 0 | 0 | 115.1 | N531 G535 K536 | N531-N533 VanDerWaalsContact O-CB 3.31Å; N531-N533 WeakPolarHBondContact O-CB 3.49Å; N531-N533 PolarHBondContact O-N 3.01Å; N531-N533 PolarHBondContact O-ND2 3.46Å; N533-G535 PolarHBondContact O-N 2.74Å; N533-K536 PolarHBondContact O-N 2.97Å | ||
| 534 | W | 41.6 | Very low | 58 | Low | 138 Ų | 138 | 100.3 Ų | 100.3 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -55.6 | -24.8 | 175.9 | -88.9 | 54.6 | 0 | 0 | 0 | 114.5 | L525 D527 K536 Y537 S538 | L525-W534 HydrophobicContact CD2-CH2 3.5Å; L525-W534 VanDerWaalsContact CD2-CH2 3.5Å; L525-W534 HydrophobicContact CD2-CZ2 3.84Å; D527-W534 PolarHBondContact OD1-NE1 3.11Å; D527-W534 PolarHBondContact OD2-NE1 3.46Å; W534-K536 PolarHBondContact O-N 2.95Å; W534-Y537 PolarHBondContact O-N 2.91Å; W534-Y537 VanDerWaalsContact O-N 3.1Å; W534-S538 WeakPolarHBondContact O-CB 3.5Å; W534-S538 PolarHBondContact O-N 3.43Å; W534-S538 PolarHBondContact O-OG 3.14Å |
| 535 | G | 43.9 | Very low | 58.4 | Low | 76 Ų | 76 | 96.5 Ų | 96.5 | 78% | 0.784 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -61.9 | 4.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | N533 | N533-G535 PolarHBondContact O-N 2.74Š|
| 536 | K | 47.1 | Very low | 59.4 | Low | 151 Ų | 151 | 97.1 Ų | 97.1 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -112.9 | -19.9 | 171.7 | -145.9 | -173.6 | -178.5 | -163.2 | 0 | 115.1 | N533 W534 | N533-K536 PolarHBondContact O-N 2.97Å; W534-K536 PolarHBondContact O-N 2.95Å |
| 537 | Y | 52 | Low | 60.5 | Low | 100 Ų | 100 | 95.2 Ų | 95.2 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | 10.6 | -177.8 | -64.1 | -74.7 | 0 | 0 | 0 | 114.3 | W534 H539 F540 T593 | W534-Y537 PolarHBondContact O-N 2.91Å; W534-Y537 VanDerWaalsContact O-N 3.1Å; Y537-H539 PolarHBondContact O-N 2.94Å; Y537-F540 HydrophobicContact CD1-CD2 4.3Å; Y537-F540 HydrophobicContact CD1-CE2 4.25Å; Y537-F540 PolarHBondContact O-N 2.85Å; Y537-T593 HydrophobicContact CD2-CG2 4.43Å; Y537-T593 HydrophobicContact CE2-CG2 3.94Å; Y537-T593 WeakPolarHBondContact CE2-OG1 3.5Å |
| 538 | S | 49.5 | Very low | 62 | Low | 71 Ų | 71 | 92 Ų | 92 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -5.6 | 170 | 54.2 | 0 | 0 | 0 | 0 | 115.5 | W534 | W534-S538 WeakPolarHBondContact O-CB 3.5Å; W534-S538 PolarHBondContact O-N 3.43Å; W534-S538 PolarHBondContact O-OG 3.14Å |
| 539 | H | 62.2 | Low | 63.5 | Low | 67 Ų | 67 | 89.8 Ų | 89.8 | 31% | 0.31 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -27.2 | 171.9 | -55.6 | -81.6 | 0 | 0 | 0 | 112.7 | Y537 R562 G563 | Y537-H539 PolarHBondContact O-N 2.94Å; H539-R562 CarbonylContact O-C 3.48Å; H539-R562 VanDerWaalsContact O-CA 3.24Å; H539-R562 WeakPolarHBondContact O-CA 3.31Å; H539-G563 PolarHBondContact ND1-O 2.93Å; H539-G563 PolarHBondContact O-N 2.99Å |
| 540 | F | 67.2 | Low | 64.7 | Low | 33 Ų | 33 | 89.4 Ų | 89.4 | 15% | 0.145 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.4 | 179.1 | -70.3 | -73.7 | 0 | 0 | 0 | 111.1 | I497 Y537 V560 | I497-F540 HydrophobicContact CG2-CE1 4.14Å; Y537-F540 HydrophobicContact CD1-CD2 4.3Å; Y537-F540 HydrophobicContact CD1-CE2 4.25Å; Y537-F540 PolarHBondContact O-N 2.85Å; F540-V560 HydrophobicContact CD1-CG1 3.91Å; F540-V560 HydrophobicContact CE1-CG1 4.25Å |
| 541 | K | 73.9 | Confident | 66 | Low | 121 Ų | 121 | 87.1 Ų | 87.1 | 53% | 0.526 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.7 | 168.4 | -173 | -163.7 | -179 | -151.2 | 0 | 108.8 | N543 I561 | K541-N543 VanDerWaalsContact CE-OD1 3.31Å; K541-N543 WeakPolarHBondContact CE-OD1 3.07Å; K541-N543 PolarHBondContact NZ-OD1 2.85Å; K541-I561 HydrophobicContact CB-CB 4.5Å; K541-I561 PolarHBondContact N-O 2.92Å; K541-I561 PolarHBondContact O-N 2.91Å |
| 542 | I | 81 | Confident | 67.3 | Low | 3 Ų | 3 | 85.9 Ų | 85.9 | 2% | 0.015 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131 | 168.4 | -53 | -51.4 | 0 | 0 | 0 | 109.5 | I503 Q523 L558 Q559 V560 F595 I597 | I503-I542 HydrophobicContact CD1-CD1 3.93Å; Q523-I542 PolarHBondContact NE2-O 3.35Å; I542-L558 HydrophobicContact CG2-CB 4.29Å; I542-L558 HydrophobicContact CG2-CD2 3.92Å; I542-Q559 WeakPolarHBondContact CA-O 3.29Å; I542-V560 HydrophobicContact CD1-CB 4.2Å; I542-V560 HydrophobicContact CD1-CG2 3.63Å; I542-F595 HydrophobicContact CD1-CZ 4.37Å; I542-F595 HydrophobicContact CG1-CE2 3.92Å; I542-F595 HydrophobicContact CG1-CZ 4Å; I542-I597 HydrophobicContact CB-CD1 3.67Å; I542-I597 HydrophobicContact CG1-CD1 3.67Å; I542-I597 HydrophobicContact CG2-CD1 3.83Å |
| 543 | N | 84.6 | Confident | 69.5 | Low | 41 Ų | 41 | 80.7 Ų | 80.7 | 22% | 0.219 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.4 | 169.1 | -90 | 9.5 | 0 | 0 | 0 | 109 | K541 I545 T557 Q559 I561 | K541-N543 VanDerWaalsContact CE-OD1 3.31Å; K541-N543 WeakPolarHBondContact CE-OD1 3.07Å; K541-N543 PolarHBondContact NZ-OD1 2.85Å; N543-I545 HydrophobicContact CB-CG1 4.19Å; N543-T557 VanDerWaalsContact O-O 3.1Å; N543-Q559 PolarHBondContact N-O 2.82Å; N543-Q559 PolarHBondContact O-N 2.88Å; N543-I561 HydrophobicContact CB-CD1 4.27Å; N543-I561 VanDerWaalsContact ND2-CD1 3.28Å; N543-I561 WeakPolarHBondContact ND2-CD1 3.46Å |
| 544 | L | 87.7 | Confident | 71.6 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 111.3 | 160.1 | -172.2 | 68.1 | 0 | 0 | 0 | 108.7 | I506 Q523 Y556 L558 I599 | I506-L544 HydrophobicContact CD1-CD1 3.8Å; Q523-L544 HydrophobicContact CB-CB 4.25Å; Q523-L544 HydrophobicContact CB-CD2 4.28Å; Q523-L544 HydrophobicContact CG-CB 4.06Å; Q523-L544 VanDerWaalsContact OE1-CB 3.32Å; Q523-L544 VanDerWaalsContact OE1-N 3.12Å; L544-Y556 VanDerWaalsContact CD1-CB 3.48Å; L544-Y556 HydrophobicContact CD1-CD1 4.28Å; L544-Y556 HydrophobicContact CD1-CG 4.15Å; L544-Y556 HydrophobicContact CD2-CD1 4.13Å; L544-Y556 HydrophobicContact CG-CD1 3.9Å; L544-Y556 HydrophobicContact CG-CG 4.28Å; L544-L558 HydrophobicContact CD1-CD2 3.94Å; L544-I599 HydrophobicContact CD1-CD1 4.13Å; L544-I599 HydrophobicContact CD2-CD1 4.4Å; L544-I599 HydrophobicContact CD2-CG2 3.92Å |
| 545 | I | 87.6 | Confident | 73.8 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.2 | -179.8 | -58.3 | 175.3 | 0 | 0 | 0 | 108.2 | N543 N547 Y556 T557 Q559 | N543-I545 HydrophobicContact CB-CG1 4.19Å; I545-N547 PolarHBondContact O-N 2.83Å; I545-N547 PolarHBondContact O-OD1 3.38Å; I545-Y556 CarbonylContact O-C 3.44Å; I545-Y556 WeakPolarHBondContact O-CA 3.49Å; I545-T557 PolarHBondContact N-O 2.96Å; I545-T557 PolarHBondContact O-N 3.2Å; I545-Q559 HydrophobicContact CD1-CB 3.89Å |
| 546 | N | 88.5 | Confident | 76 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 118.6 | 172.9 | -172 | -17.1 | 0 | 0 | 0 | 109.7 | G548 Y556 | N546-G548 WeakPolarHBondContact OD1-CA 3.42Å; N546-G548 PolarHBondContact OD1-N 3.35Å; N546-Y556 HydrophobicContact CB-CD1 3.74Å; N546-Y556 HydrophobicContact CB-CE1 3.63Å |
| 547 | N | 84.8 | Confident | 77.9 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -6.8 | 178.7 | -60.8 | -1.6 | 0 | 0 | 0 | 112.6 | I545 L555 T557 | I545-N547 PolarHBondContact O-N 2.83Å; I545-N547 PolarHBondContact O-OD1 3.38Å; N547-L555 HydrophobicContact CB-CB 4.21Å; N547-L555 HydrophobicContact CB-CD2 4.08Å; N547-L555 HydrophobicContact CB-CG 4.08Å; N547-L555 WeakPolarHBondContact CB-O 3.4Å; N547-L555 PolarHBondContact N-O 2.78Å; N547-L555 WeakPolarHBondContact ND2-CD2 3.4Å; N547-T557 VanDerWaalsContact CG-OG1 3.22Å; N547-T557 PolarHBondContact ND2-OG1 2.94Å; N547-T557 PolarHBondContact OD1-OG1 2.81Å |
| 548 | G | 84.1 | Confident | 79.6 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 97.4 | -167.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N546 L555 | N546-G548 WeakPolarHBondContact OD1-CA 3.42Å; N546-G548 PolarHBondContact OD1-N 3.35Å; G548-L555 PolarHBondContact O-N 3.15Å |
| 549 | Q | 81.6 | Confident | 81.3 | Confident | 102 Ų | 102 | 54.2 Ų | 54.2 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135.7 | -177.7 | -163.3 | -178.3 | 23.9 | 0 | 0 | 110.7 | S552 Q553 Y554 | Q549-S552 PolarHBondContact NE2-O 2.81Å; Q549-S552 VanDerWaalsContact NE2-O 3.08Å; Q549-Q553 CarbonylContact C-O 3.57Å; Q549-Q553 WeakPolarHBondContact CA-O 3.45Å; Q549-Q553 WeakPolarHBondContact CG-O 3.16Å; Q549-Y554 HydrophobicContact CB-CD1 4.12Å; Q549-Y554 HydrophobicContact CB-CE1 4.09Å; Q549-Y554 HydrophobicContact CG-CD1 4.21Å; Q549-Y554 HydrophobicContact CG-CD2 4.47Å; Q549-Y554 HydrophobicContact CG-CE1 4.12Å; Q549-Y554 HydrophobicContact CG-CE2 4.38Å; Q549-Y554 HydrophobicContact CG-CG 4.39Å |
| 550 | I | 71.9 | Confident | 82.2 | Confident | 99 Ų | 99 | 51 Ų | 51 | 51% | 0.508 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.8 | 177.4 | -55.1 | 180 | 0 | 0 | 0 | 107.5 | S552 Q553 L555 | I550-S552 VanDerWaalsContact C-N 3.34Å; I550-S552 PolarHBondContact O-N 3.46Å; I550-Q553 PolarHBondContact N-O 3.41Å; I550-Q553 WeakPolarHBondContact O-CB 3.34Å; I550-Q553 PolarHBondContact O-N 2.85Å; I550-Q553 VanDerWaalsContact O-O 3.13Å; I550-L555 HydrophobicContact CD1-CD2 3.86Å |
| 551 | S | 72.5 | Confident | 82.6 | Confident | 109 Ų | 109 | 52 Ų | 52 | 76% | 0.762 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 50.1 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 113.7 | Q553 | S551-Q553 PolarHBondContact O-N 2.82Š|
| 552 | S | 71.2 | Confident | 82.4 | Confident | 91 Ų | 91 | 50.7 Ų | 50.7 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -10.1 | -172.6 | -57.9 | 0 | 0 | 0 | 0 | 116.7 | Q549 I550 | Q549-S552 PolarHBondContact NE2-O 2.81Å; Q549-S552 VanDerWaalsContact NE2-O 3.08Å; I550-S552 VanDerWaalsContact C-N 3.34Å; I550-S552 PolarHBondContact O-N 3.46Å |
| 553 | Q | 83.2 | Confident | 81.3 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.9 | 178.1 | -53.8 | -175.7 | -35.5 | 0 | 0 | 111.3 | I507 Q549 I550 S551 | I507-Q553 HydrophobicContact CG2-CB 3.85Å; I507-Q553 HydrophobicContact CG2-CG 4.18Å; I507-Q553 VanDerWaalsContact CG2-OE1 3.24Å; Q549-Q553 CarbonylContact C-O 3.57Å; Q549-Q553 WeakPolarHBondContact CA-O 3.45Å; Q549-Q553 WeakPolarHBondContact CG-O 3.16Å; I550-Q553 PolarHBondContact N-O 3.41Å; I550-Q553 WeakPolarHBondContact O-CB 3.34Å; I550-Q553 PolarHBondContact O-N 2.85Å; I550-Q553 VanDerWaalsContact O-O 3.13Å; S551-Q553 PolarHBondContact O-N 2.82Å |
| 554 | Y | 87.8 | Confident | 79.6 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 11% | 0.106 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121.7 | 172.3 | -66.7 | -89.9 | 0 | 0 | 0 | 109.9 | V508 Q518 V519 Q549 | V508-Y554 PolarHBondContact N-O 2.97Å; V508-Y554 PolarHBondContact O-N 2.82Å; Q518-Y554 WeakPolarHBondContact CA-OH 3.07Å; Q518-Y554 WeakPolarHBondContact CG-OH 3.47Å; V519-Y554 HydrophobicContact CB-CD2 3.77Å; V519-Y554 HydrophobicContact CB-CE2 3.89Å; V519-Y554 HydrophobicContact CB-CG 4.43Å; V519-Y554 HydrophobicContact CG2-CD2 4.06Å; V519-Y554 HydrophobicContact CG2-CE2 4.02Å; Q549-Y554 HydrophobicContact CB-CD1 4.12Å; Q549-Y554 HydrophobicContact CB-CE1 4.09Å; Q549-Y554 HydrophobicContact CG-CD1 4.21Å; Q549-Y554 HydrophobicContact CG-CD2 4.47Å; Q549-Y554 HydrophobicContact CG-CE1 4.12Å; Q549-Y554 HydrophobicContact CG-CE2 4.38Å; Q549-Y554 HydrophobicContact CG-CG 4.39Å |
| 555 | L | 88.4 | Confident | 77.4 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.1 | -177.5 | -179 | 66.9 | 0 | 0 | 0 | 110.4 | F505 I507 N547 G548 I550 | F505-L555 HydrophobicContact CB-CD1 3.91Å; F505-L555 HydrophobicContact CD1-CD1 4.23Å; F505-L555 HydrophobicContact CG-CD1 4.36Å; I507-L555 HydrophobicContact CG1-CD1 4Å; N547-L555 HydrophobicContact CB-CB 4.21Å; N547-L555 HydrophobicContact CB-CD2 4.08Å; N547-L555 HydrophobicContact CB-CG 4.08Å; N547-L555 WeakPolarHBondContact CB-O 3.4Å; N547-L555 PolarHBondContact N-O 2.78Å; N547-L555 WeakPolarHBondContact ND2-CD2 3.4Å; G548-L555 PolarHBondContact O-N 3.15Å; I550-L555 HydrophobicContact CD1-CD2 3.86Å |
| 556 | Y | 89.6 | Confident | 74.9 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 2% | 0.024 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.1 | 171.9 | -57.8 | -105.7 | 0 | 0 | 0 | 110.5 | F505 I506 V508 C521 L544 I545 N546 | F505-Y556 CarbonylContact C-O 3.17Å; F505-Y556 WeakPolarHBondContact CA-O 3.33Å; I506-Y556 PolarHBondContact N-O 2.81Å; I506-Y556 PolarHBondContact O-N 3.19Å; V508-Y556 HydrophobicContact CG2-CD2 4.18Å; V508-Y556 HydrophobicContact CG2-CE2 4.12Å; C521-Y556 HydrophobicContact CB-CE1 4.02Å; C521-Y556 HydrophobicContact CB-CE2 4.06Å; C521-Y556 PolarHBondContact N-OH 3.12Å; L544-Y556 VanDerWaalsContact CD1-CB 3.48Å; L544-Y556 HydrophobicContact CD1-CD1 4.28Å; L544-Y556 HydrophobicContact CD1-CG 4.15Å; L544-Y556 HydrophobicContact CD2-CD1 4.13Å; L544-Y556 HydrophobicContact CG-CD1 3.9Å; L544-Y556 HydrophobicContact CG-CG 4.28Å; I545-Y556 CarbonylContact O-C 3.44Å; I545-Y556 WeakPolarHBondContact O-CA 3.49Å; N546-Y556 HydrophobicContact CB-CD1 3.74Å; N546-Y556 HydrophobicContact CB-CE1 3.63Å |
| 557 | T | 86.9 | Confident | 72.2 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 5% | 0.049 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.9 | 174.5 | -48.4 | 0 | 0 | 0 | 0 | 110.8 | Y502 F505 N543 I545 N547 | Y502-T557 HydrophobicContact CD1-CG2 3.37Å; Y502-T557 HydrophobicContact CE1-CG2 3.99Å; Y502-T557 HydrophobicContact CG-CG2 3.87Å; F505-T557 HydrophobicContact CD1-CG2 4.25Å; F505-T557 HydrophobicContact CE1-CG2 4.06Å; N543-T557 VanDerWaalsContact O-O 3.1Å; I545-T557 PolarHBondContact N-O 2.96Å; I545-T557 PolarHBondContact O-N 3.2Å; N547-T557 VanDerWaalsContact CG-OG1 3.22Å; N547-T557 PolarHBondContact ND2-OG1 2.94Å; N547-T557 PolarHBondContact OD1-OG1 2.81Å |
| 558 | L | 87 | Confident | 69.6 | Low | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 104.8 | 163.5 | -65.2 | 174.4 | 0 | 0 | 0 | 109 | I491 I503 G504 I506 I542 L544 I599 L616 | I491-L558 HydrophobicContact CD1-CD1 4.01Å; I503-L558 HydrophobicContact CD1-CB 4.43Å; I503-L558 HydrophobicContact CG1-CB 3.85Å; I503-L558 WeakPolarHBondContact CG1-O 3.14Å; I503-L558 PolarHBondContact N-O 2.86Å; G504-L558 WeakPolarHBondContact O-CB 3.4Å; G504-L558 PolarHBondContact O-N 2.82Å; I506-L558 HydrophobicContact CD1-CD1 3.96Å; I506-L558 HydrophobicContact CD1-CD2 3.76Å; I506-L558 HydrophobicContact CD1-CG 3.88Å; I506-L558 HydrophobicContact CG1-CD1 4.28Å; I506-L558 HydrophobicContact CG1-CG 4.33Å; I542-L558 HydrophobicContact CG2-CB 4.29Å; I542-L558 HydrophobicContact CG2-CD2 3.92Å; L544-L558 HydrophobicContact CD1-CD2 3.94Å; L558-I599 HydrophobicContact CD2-CD1 4.01Å; L558-L616 HydrophobicContact CD1-CD1 4.08Å |
| 559 | Q | 84.5 | Confident | 67.3 | Low | 37 Ų | 37 | 78.9 Ų | 78.9 | 17% | 0.173 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.4 | 176.8 | -176.6 | 174.6 | 62.9 | 0 | 0 | 111.3 | G500 Y502 I542 N543 I545 | G500-Q559 WeakPolarHBondContact O-CG 3.47Å; G500-Q559 PolarHBondContact O-NE2 2.54Å; Y502-Q559 HydrophobicContact CD1-CB 4.24Å; Y502-Q559 HydrophobicContact CD1-CG 4.28Å; Y502-Q559 HydrophobicContact CE1-CG 4.4Å; I542-Q559 WeakPolarHBondContact CA-O 3.29Å; N543-Q559 PolarHBondContact N-O 2.82Å; N543-Q559 PolarHBondContact O-N 2.88Å; I545-Q559 HydrophobicContact CD1-CB 3.89Å |
| 560 | V | 82.5 | Confident | 64.8 | Low | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.1 | 168.1 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | I493 I497 G500 S501 I503 F540 I542 | I493-V560 HydrophobicContact CD1-CG2 4.47Å; I497-V560 HydrophobicContact CD1-CG2 4.3Å; I497-V560 HydrophobicContact CG2-CG1 4.32Å; G500-V560 WeakPolarHBondContact CA-O 3.46Å; G500-V560 PolarHBondContact N-O 2.97Å; S501-V560 PolarHBondContact O-N 3.06Å; I503-V560 HydrophobicContact CB-CG2 4.39Å; I503-V560 HydrophobicContact CD1-CG2 3.89Å; I503-V560 HydrophobicContact CG1-CG2 4.11Å; I503-V560 HydrophobicContact CG2-CG2 3.44Å; I503-V560 VanDerWaalsContact CG2-CG2 3.44Å; F540-V560 HydrophobicContact CD1-CG1 3.91Å; F540-V560 HydrophobicContact CE1-CG1 4.25Å; I542-V560 HydrophobicContact CD1-CB 4.2Å; I542-V560 HydrophobicContact CD1-CG2 3.63Å |
| 561 | I | 75.9 | Confident | 62.8 | Low | 54 Ų | 54 | 85.9 Ų | 85.9 | 28% | 0.277 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.6 | 167.6 | -62.7 | -179.6 | 0 | 0 | 0 | 108 | K541 N543 | K541-I561 HydrophobicContact CB-CB 4.5Å; K541-I561 PolarHBondContact N-O 2.92Å; K541-I561 PolarHBondContact O-N 2.91Å; N543-I561 HydrophobicContact CB-CD1 4.27Å; N543-I561 VanDerWaalsContact ND2-CD1 3.28Å; N543-I561 WeakPolarHBondContact ND2-CD1 3.46Å |
| 562 | R | 67.9 | Low | 60.9 | Low | 92 Ų | 92 | 87.5 Ų | 87.5 | 35% | 0.347 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.6 | 174.3 | -167 | 176.2 | -178.4 | 146.8 | 2.1 | 109.4 | E495 S499 H539 | E495-R562 PolarHBondContact O-NH1 2.89Å; S499-R562 PolarHBondContact OG-N 2.04Å; S499-R562 PolarHBondContact OG-O 2.93Å; H539-R562 CarbonylContact O-C 3.48Å; H539-R562 VanDerWaalsContact O-CA 3.24Å; H539-R562 WeakPolarHBondContact O-CA 3.31Å |
| 563 | G | 58.4 | Low | 58.9 | Low | 34 Ų | 34 | 88.9 Ų | 88.9 | 35% | 0.351 | 46% | 0.461 | S | S | . | . | trans | -83.7 | 116.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H539 H565 | H539-G563 PolarHBondContact ND1-O 2.93Å; H539-G563 PolarHBondContact O-N 2.99Å; G563-H565 PolarHBondContact O-N 2.81Å | ||
| 564 | D | 48.6 | Very low | 56.4 | Low | 149 Ų | 149 | 94.3 Ų | 94.3 | 80% | 0.797 | 48% | 0.484 | S | S | * | . | trans | -70.4 | 91.3 | -173.3 | -70.5 | -41.7 | 0 | 0 | 0 | 114.3 | ||||
| 565 | H | 41.6 | Very low | 53.6 | Low | 156 Ų | 156 | 98.7 Ų | 98.7 | 72% | 0.722 | 52% | 0.519 | S | S | * | . | trans | -132.1 | 60.9 | 167 | -87.3 | -53.3 | 0 | 0 | 0 | 111.5 | G563 | G563-H565 PolarHBondContact O-N 2.81Š| ||
| 566 | L | 36.5 | Very low | 50.8 | Low | 166 Ų | 166 | 102 Ų | 102 | 87% | 0.869 | 55% | 0.545 | S | S | * | . | trans | -130.7 | 48.2 | 167.1 | -102.6 | 158.5 | 0 | 0 | 0 | 110.4 | N568 | L566-N568 PolarHBondContact O-N 2.95Š| ||
| 567 | S | 32 | Very low | 48 | Very low | 94 Ų | 94 | 111 Ų | 111 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | trans | -78.4 | 113.1 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 568 | N | 29.7 | Very low | 45.7 | Very low | 154 Ų | 154 | 118.6 Ų | 118.6 | 82% | 0.824 | 62% | 0.622 | S | S | * | * | trans | 51.2 | 89 | 161.5 | -60.7 | -28.8 | 0 | 0 | 0 | 116.8 | L566 | L566-N568 PolarHBondContact O-N 2.95Š| ||
| 569 | D | 34.4 | Very low | 43 | Very low | 169 Ų | 169 | 125.3 Ų | 125.3 | 90% | 0.904 | 66% | 0.658 | S | S | * | * | -142.6 | 127.4 | 124.5 | -118.9 | -32.3 | 0 | 0 | 0 | 111.4 | |||||
| 570 | K | 30.8 | Very low | 40.5 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 85% | 0.848 | 69% | 0.686 | S | S | * | * | trans | -110.4 | 97.3 | 173.9 | -80.5 | -175.1 | 178.7 | 178.6 | 0 | 107.7 | ||||
| 571 | N | 30.1 | Very low | 38 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | 170 | 111.4 | 150.4 | -83.7 | -26.7 | 0 | 0 | 0 | 107.8 | ||||
| 572 | D | 31.3 | Very low | 36 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | -178 | 168.1 | 97.8 | -119 | -33.5 | 0 | 0 | 0 | 113.4 | |||||
| 573 | L | 29.5 | Very low | 34.2 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 63% | 0.634 | 77% | 0.767 | S | S | * | * | trans | 37.4 | 92.5 | 153.1 | -93.3 | 57.9 | 0 | 0 | 0 | 119.2 | ||||
| 574 | F | 31.4 | Very low | 32.8 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | 172.1 | 98.9 | 87.5 | -95.4 | -65.4 | 0 | 0 | 0 | 112.9 | |||||
| 575 | S | 27.7 | Very low | 32 | Very low | 119 Ų | 119 | 155.6 Ų | 155.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -129.7 | 82 | 164.6 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 576 | S | 31 | Very low | 31.6 | Very low | 103 Ų | 103 | 154 Ų | 154 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | 179.3 | 137.8 | 146.5 | 41.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 577 | K | 31.2 | Very low | 31.4 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | 28 | 122.1 | 144.7 | -56 | 173.6 | -179.2 | 175.9 | 0 | 118.8 | ||||
| 578 | I | 37.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 157.5 Ų | 157.5 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | -168.3 | 159.5 | 107.2 | -98.2 | 156.3 | 0 | 0 | 0 | 110.5 | |||||
| 579 | N | 31.3 | Very low | 31.5 | Very low | 141 Ų | 141 | 156.6 Ų | 156.6 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -79.5 | 149.1 | -170.3 | -58.9 | -25.3 | 0 | 0 | 0 | 114.2 | ||||
| 580 | N | 30.8 | Very low | 31.8 | Very low | 142 Ų | 142 | 153 Ų | 153 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 59.8 | 144.2 | 141.4 | -70.1 | 2.5 | 0 | 0 | 0 | 122 | ||||
| 581 | T | 30.4 | Very low | 32.2 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 59.2 | 79.8 | 153.3 | 50.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 582 | L | 33.5 | Very low | 33.1 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | -149.7 | 167 | 115.7 | -132.5 | 70 | 0 | 0 | 0 | 111 | |||||
| 583 | D | 30.5 | Very low | 34.5 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | trans | -75.2 | 136.5 | -167.8 | -164.6 | -8.1 | 0 | 0 | 0 | 113 | R585 | D583-R585 WeakPolarHBondContact OD1-CB 3.17Å; D583-R585 WeakPolarHBondContact OD1-CG 3.47Å; D583-R585 PolarHBondContact OD1-N 3.33Å; D583-R585 VanDerWaalsContact OD1-N 3.16Å | ||
| 584 | Y | 30.5 | Very low | 36.3 | Very low | 222 Ų | 222 | 141.5 Ų | 141.5 | 87% | 0.871 | 72% | 0.719 | S | S | * | * | trans | -105.2 | 9.2 | -176.6 | -111.1 | -89 | 0 | 0 | 0 | 113.8 | T586 | Y584-T586 PolarHBondContact O-N 3.29Š| ||
| 585 | R | 31.9 | Very low | 38.3 | Very low | 220 Ų | 220 | 134.7 Ų | 134.7 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 11.9 | -168.2 | -77.4 | 177.6 | 167.9 | -149.3 | -5.2 | 118 | D583 | D583-R585 WeakPolarHBondContact OD1-CB 3.17Å; D583-R585 WeakPolarHBondContact OD1-CG 3.47Å; D583-R585 PolarHBondContact OD1-N 3.33Å; D583-R585 VanDerWaalsContact OD1-N 3.16Å |
| 586 | T | 32.7 | Very low | 40.6 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 1.5 | -163.5 | 27.2 | 0 | 0 | 0 | 0 | 119.1 | Y584 | Y584-T586 PolarHBondContact O-N 3.29Š|
| 587 | I | 32 | Very low | 43.1 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -123.6 | -16.6 | -172.1 | -61 | -176.3 | 0 | 0 | 0 | 115.5 | T589 | I587-T589 PolarHBondContact O-N 3.02Š|
| 588 | F | 32.4 | Very low | 45.8 | Very low | 183 Ų | 183 | 117.2 Ų | 117.2 | 80% | 0.803 | 59% | 0.587 | S | S | * | * | trans | -96.7 | 76.3 | 175.8 | -98.7 | -89.1 | 0 | 0 | 0 | 113.3 | Q590 | F588-Q590 VanDerWaalsContact C-N 3.29Å; F588-Q590 HydrophobicContact CD1-CG 4.42Å; F588-Q590 PolarHBondContact O-N 2.89Å | ||
| 589 | T | 31.9 | Very low | 48.3 | Very low | 135 Ų | 135 | 109.3 Ų | 109.3 | 83% | 0.828 | 55% | 0.546 | S | S | * | . | trans | -72 | 88.3 | 156.7 | 52.2 | 0 | 0 | 0 | 0 | 108.4 | I587 K591 | I587-T589 PolarHBondContact O-N 3.02Å; T589-K591 PolarHBondContact O-N 3.46Å | ||
| 590 | Q | 39 | Very low | 51.1 | Low | 93 Ų | 93 | 104.5 Ų | 104.5 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | trans | -57.8 | 107.3 | 178.9 | -78.4 | 177.2 | -41.8 | 0 | 0 | 110.1 | F588 L592 | F588-Q590 VanDerWaalsContact C-N 3.29Å; F588-Q590 HydrophobicContact CD1-CG 4.42Å; F588-Q590 PolarHBondContact O-N 2.89Å; Q590-L592 PolarHBondContact O-N 3.22Å | ||
| 591 | K | 40.4 | Very low | 54.1 | Low | 188 Ų | 188 | 97.8 Ų | 97.8 | 82% | 0.817 | 49% | 0.486 | S | S | * | . | trans | -82.1 | 73.6 | 174.4 | -166 | 176.9 | -174.5 | -179.1 | 0 | 108.6 | T589 T593 | T589-K591 PolarHBondContact O-N 3.46Å; K591-T593 PolarHBondContact O-N 2.99Å | ||
| 592 | L | 48.6 | Very low | 57.1 | Low | 94 Ų | 94 | 96.1 Ų | 96.1 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | trans | -52 | 122.4 | 172.7 | -68.9 | 165.4 | 0 | 0 | 0 | 108.8 | Q590 T619 V620 T621 | Q590-L592 PolarHBondContact O-N 3.22Å; L592-T619 HydrophobicContact CD2-CG2 4.5Å; L592-V620 VanDerWaalsContact CD2-O 3.23Å; L592-V620 WeakPolarHBondContact CD2-O 3.49Å; L592-T621 HydrophobicContact CD2-CG2 4.24Å | ||
| 593 | T | 61.5 | Low | 59.9 | Low | 47 Ų | 47 | 88 Ų | 88 | 29% | 0.288 | 43% | 0.425 | S | S | . | . | trans | -114.1 | 112.2 | 179.4 | 48.9 | 0 | 0 | 0 | 0 | 109.6 | Y537 K591 | Y537-T593 HydrophobicContact CD2-CG2 4.43Å; Y537-T593 HydrophobicContact CE2-CG2 3.94Å; Y537-T593 WeakPolarHBondContact CE2-OG1 3.5Å; K591-T593 PolarHBondContact O-N 2.99Å | ||
| 594 | S | 67.7 | Low | 62.7 | Low | 43 Ų | 43 | 87.4 Ų | 87.4 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 153.1 | 177.9 | -45 | 0 | 0 | 0 | 0 | 111.2 | I618 T619 | S594-I618 CarbonylContact C-O 3.58Å; S594-I618 WeakPolarHBondContact CA-O 3.48Å; S594-I618 VanDerWaalsContact CB-O 3.31Å; S594-I618 WeakPolarHBondContact CB-O 3.43Å; S594-T619 WeakPolarHBondContact CB-OG1 3.19Å; S594-T619 WeakPolarHBondContact OG-CB 3.21Å; S594-T619 PolarHBondContact OG-OG1 3.32Å |
| 595 | F | 71.9 | Confident | 65.3 | Low | 46 Ų | 46 | 77.3 Ų | 77.3 | 20% | 0.202 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 158.4 | 177.9 | 63.2 | -90.4 | 0 | 0 | 0 | 111.5 | I542 I597 I618 | I542-F595 HydrophobicContact CD1-CZ 4.37Å; I542-F595 HydrophobicContact CG1-CE2 3.92Å; I542-F595 HydrophobicContact CG1-CZ 4Å; F595-I597 HydrophobicContact CD2-CG1 4.41Å; F595-I597 HydrophobicContact CE2-CD1 4.28Å; F595-I597 HydrophobicContact CE2-CG1 4.27Å; F595-I618 HydrophobicContact CD1-CB 4.19Å; F595-I618 HydrophobicContact CD2-CB 4.24Å; F595-I618 HydrophobicContact CD2-CG1 4.33Å; F595-I618 HydrophobicContact CE1-CB 3.74Å; F595-I618 HydrophobicContact CE1-CG2 3.73Å; F595-I618 HydrophobicContact CE2-CB 3.8Å; F595-I618 HydrophobicContact CE2-CG1 3.73Å; F595-I618 HydrophobicContact CE2-CG2 4.33Å; F595-I618 HydrophobicContact CG-CB 4.43Å; F595-I618 HydrophobicContact CZ-CB 3.54Å; F595-I618 HydrophobicContact CZ-CG1 3.87Å; F595-I618 HydrophobicContact CZ-CG2 3.6Å; F595-I618 PolarHBondContact N-O 2.8Å; F595-I618 PolarHBondContact O-N 3.07Å |
| 596 | M | 76.6 | Confident | 67.5 | Low | 30 Ų | 30 | 71.1 Ų | 71.1 | 15% | 0.148 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.1 | -172.5 | -169.2 | 172.2 | -73.2 | 0 | 0 | 113 | Y528 N615 L616 | Y528-M596 HydrophobicContact CD2-CE 3.62Å; Y528-M596 HydrophobicContact CD2-SD 4.35Å; Y528-M596 HydrophobicContact CE2-CE 3.59Å; M596-N615 HydrophobicContact CG-CB 4.4Å; M596-N615 HydrophobicContact SD-CB 3.93Å; M596-L616 CarbonylContact C-O 3.53Å; M596-L616 VanDerWaalsContact CA-O 3.29Å; M596-L616 WeakPolarHBondContact CA-O 3.2Å |
| 597 | I | 84.2 | Confident | 69.5 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127 | 173.9 | -44.4 | 174.3 | 0 | 0 | 0 | 107.5 | Q523 L525 I542 F595 I599 N615 L616 I618 | Q523-I597 HydrophobicContact CB-CG2 4.44Å; L525-I597 HydrophobicContact CD1-CB 4.4Å; L525-I597 HydrophobicContact CD1-CG1 3.89Å; L525-I597 HydrophobicContact CD1-CG2 4.28Å; I542-I597 HydrophobicContact CB-CD1 3.67Å; I542-I597 HydrophobicContact CG1-CD1 3.67Å; I542-I597 HydrophobicContact CG2-CD1 3.83Å; F595-I597 HydrophobicContact CD2-CG1 4.41Å; F595-I597 HydrophobicContact CE2-CD1 4.28Å; F595-I597 HydrophobicContact CE2-CG1 4.27Å; I597-I599 HydrophobicContact CG2-CD1 4.17Å; I597-I599 HydrophobicContact CG2-CG1 3.91Å; I597-N615 WeakPolarHBondContact O-CA 3.18Å; I597-L616 HydrophobicContact CB-CB 4.23Å; I597-L616 PolarHBondContact N-O 3.46Å; I597-L616 PolarHBondContact O-N 2.73Å; I597-I618 HydrophobicContact CD1-CD1 4.18Å; I597-I618 HydrophobicContact CD1-CG1 3.78Å; I597-I618 HydrophobicContact CG1-CG1 4.3Å |
| 598 | I | 86.4 | Confident | 71.9 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.1 | 173.7 | -55.9 | -173.2 | 0 | 0 | 0 | 107.9 | K524 E526 I614 | K524-I598 PolarHBondContact N-O 3.07Å; K524-I598 PolarHBondContact O-N 2.95Å; E526-I598 HydrophobicContact CB-CD1 4.14Å; E526-I598 VanDerWaalsContact CD-CD1 3.46Å; E526-I598 HydrophobicContact CG-CD1 3.87Å; E526-I598 WeakPolarHBondContact OE2-CD1 3.36Å; I598-I614 WeakPolarHBondContact CA-O 3.38Å |
| 599 | I | 89.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.1 | -179.9 | -61.3 | 179.5 | 0 | 0 | 0 | 107.9 | I506 D522 Q523 L544 L558 I597 S613 I614 L616 | I506-I599 HydrophobicContact CD1-CD1 3.26Å; D522-I599 WeakPolarHBondContact O-CA 3.2Å; Q523-I599 HydrophobicContact CB-CG1 4.1Å; L544-I599 HydrophobicContact CD1-CD1 4.13Å; L544-I599 HydrophobicContact CD2-CD1 4.4Å; L544-I599 HydrophobicContact CD2-CG2 3.92Å; L558-I599 HydrophobicContact CD2-CD1 4.01Å; I597-I599 HydrophobicContact CG2-CD1 4.17Å; I597-I599 HydrophobicContact CG2-CG1 3.91Å; I599-S613 CarbonylContact O-C 3.07Å; I599-S613 WeakPolarHBondContact O-CA 3.41Å; I599-I614 HydrophobicContact CB-CG2 4.2Å; I599-I614 PolarHBondContact N-O 2.67Å; I599-I614 PolarHBondContact O-N 3.24Å; I599-L616 HydrophobicContact CD1-CD1 3.79Å |
| 600 | T | 91.9 | Very high | 77.4 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.8 | -175.6 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | C521 D522 T612 S613 | C521-T600 CarbonylContact C-O 3.51Å; C521-T600 VanDerWaalsContact CA-O 3.24Å; C521-T600 WeakPolarHBondContact CA-O 3.33Å; D522-T600 PolarHBondContact N-O 2.87Å; D522-T600 PolarHBondContact O-N 3.43Å; T600-T612 CarbonylContact C-O 3.54Å; T600-T612 WeakPolarHBondContact CA-O 3.06Å; T600-S613 WeakPolarHBondContact CB-OG 3.48Å; T600-S613 WeakPolarHBondContact CG2-OG 3.16Å; T600-S613 PolarHBondContact OG1-OG 2.69Å |
| 601 | C | 92.8 | Very high | 80 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142 | 177.2 | -66.1 | 0 | 0 | 0 | 0 | 110 | P472 I474 V508 V519 T520 C521 T611 T612 | P472-C601 HydrophobicContact CB-CB 4.11Å; I474-C601 HydrophobicContact CD1-CB 3.97Å; I474-C601 HydrophobicContact CG1-CB 4.19Å; V508-C601 HydrophobicContact CG1-CB 4.06Å; V519-C601 HydrophobicContact CG1-CB 3.84Å; T520-C601 CarbonylContact O-C 3.52Å; T520-C601 WeakPolarHBondContact O-CA 3.42Å; C521-C601 HydrophobicContact CB-CB 4.1Å; C521-C601 WeakPolarHBondContact CB-SG 3.28Å; C521-C601 WeakPolarHBondContact SG-CB 3.47Å; C521-C601 CovalentContact SG-SG 2.04Å; C521-C601 PolarHBondContact SG-SG 2.78Å; C601-T611 CarbonylContact O-C 3.44Å; C601-T611 VanDerWaalsContact O-CA 3.29Å; C601-T611 WeakPolarHBondContact O-CA 3.49Å; C601-T612 PolarHBondContact N-O 3.01Å; C601-T612 PolarHBondContact O-N 3.08Å |
| 602 | K | 93.1 | Very high | 82.4 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 41% | 0.409 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.8 | -174.8 | -172.2 | -139.5 | 169.3 | -143.6 | 0 | 110 | V519 T520 L610 T611 | V519-K602 WeakPolarHBondContact CA-O 3.43Å; T520-K602 PolarHBondContact N-O 3.16Å; T520-K602 PolarHBondContact O-N 2.99Å; T520-K602 PolarHBondContact OG1-O 3.09Å; K602-L610 WeakPolarHBondContact CA-O 3.47Å; K602-T611 HydrophobicContact CB-CG2 3.89Å; K602-T611 HydrophobicContact CG-CG2 3.61Å |
| 603 | D | 91.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -76 | 177.4 | 173.2 | 82 | 39.1 | 0 | 0 | 0 | 112.9 | N468 P472 N516 Q518 G605 A609 L610 | N468-D603 PolarHBondContact ND2-OD2 3.44Å; P472-D603 HydrophobicContact CG-CB 4.02Å; N516-D603 WeakPolarHBondContact O-CB 3.43Å; Q518-D603 CarbonylContact O-C 3.59Å; Q518-D603 VanDerWaalsContact O-CA 3.26Å; Q518-D603 WeakPolarHBondContact O-CA 3.45Å; D603-G605 PolarHBondContact OD1-N 3.5Å; D603-A609 WeakPolarHBondContact OD1-CA 3.34Å; D603-A609 WeakPolarHBondContact OD1-CB 3.35Å; D603-L610 VanDerWaalsContact CG-N 3.27Å; D603-L610 PolarHBondContact N-O 2.68Å; D603-L610 VanDerWaalsContact N-O 3.07Å; D603-L610 PolarHBondContact OD1-N 2.84Å; D603-L610 WeakPolarHBondContact OD2-CA 3.29Å; D603-L610 WeakPolarHBondContact OD2-CB 3.38Å; D603-L610 PolarHBondContact OD2-N 2.98Å | ||
| 604 | H | 91.1 | Very high | 85.6 | Confident | 106 Ų | 106 | 47.9 Ų | 47.9 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | trans | -113.7 | 12.6 | 178.8 | -74.9 | -142.4 | 0 | 0 | 0 | 112.9 | E515 Q518 T520 | E515-H604 CarbonylContact O-C 3.17Å; E515-H604 WeakPolarHBondContact O-CB 3.36Å; Q518-H604 HydrophobicContact CB-CB 4.1Å; Q518-H604 PolarHBondContact O-CD2 2.83Å; Q518-H604 PolarHBondContact O-N 2.84Å; T520-H604 WeakPolarHBondContact CB-NE2 3.34Å; T520-H604 WeakPolarHBondContact CG2-NE2 3.32Å; T520-H604 PolarHBondContact OG1-NE2 3.35Å | ||
| 605 | G | 83.3 | Confident | 86.5 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | trans | -76.4 | 168.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | N468 N516 D603 A609 | N468-G605 WeakPolarHBondContact OD1-CA 3.5Å; N516-G605 WeakPolarHBondContact OD1-CA 3.3Å; D603-G605 PolarHBondContact OD1-N 3.5Å; G605-A609 PolarHBondContact O-N 2.83Å | ||
| 606 | S | 79.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 47 Ų | 47 | 62% | 0.622 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -128.6 | 138.4 | -173.3 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | N516 | N516-S606 PolarHBondContact OD1-N 2.8Š|
| 607 | P | 74.1 | Confident | 87.4 | Confident | 124 Ų | 124 | 47.8 Ų | 47.8 | 81% | 0.805 | 29% | 0.285 | S | S | * | . | S | Bend | cis | -84.5 | -9.2 | 11.3 | 34.5 | -37.8 | 0 | 0 | 0 | 115.1 | ||
| 608 | S | 83.8 | Confident | 87.2 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 54% | 0.538 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -148.4 | 122 | -177.3 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | N468 | N468-S608 PolarHBondContact ND2-O 2.85Š|
| 609 | A | 87.7 | Confident | 86.8 | Confident | 35 Ų | 35 | 47 Ų | 47 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | trans | -77 | 138.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D603 G605 | D603-A609 WeakPolarHBondContact OD1-CA 3.34Å; D603-A609 WeakPolarHBondContact OD1-CB 3.35Å; G605-A609 PolarHBondContact O-N 2.83Å | ||
| 610 | L | 91.8 | Very high | 86.1 | Confident | 56 Ų | 56 | 48 Ų | 48 | 29% | 0.293 | 29% | 0.288 | S | S | . | . | trans | -97.6 | 164 | -175.7 | -53.1 | 168.9 | 0 | 0 | 0 | 111.3 | H470 A471 K602 D603 | H470-L610 VanDerWaalsContact O-CD1 3.27Å; H470-L610 WeakPolarHBondContact O-CD1 3.48Å; A471-L610 HydrophobicContact CB-CB 3.8Å; A471-L610 HydrophobicContact CB-CD1 4.26Å; K602-L610 WeakPolarHBondContact CA-O 3.47Å; D603-L610 VanDerWaalsContact CG-N 3.27Å; D603-L610 PolarHBondContact N-O 2.68Å; D603-L610 VanDerWaalsContact N-O 3.07Å; D603-L610 PolarHBondContact OD1-N 2.84Å; D603-L610 WeakPolarHBondContact OD2-CA 3.29Å; D603-L610 WeakPolarHBondContact OD2-CB 3.38Å; D603-L610 PolarHBondContact OD2-N 2.98Å | ||
| 611 | T | 92.1 | Very high | 84.9 | Confident | 91 Ų | 91 | 46.9 Ų | 46.9 | 56% | 0.558 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.8 | -172.6 | 52.6 | 0 | 0 | 0 | 0 | 113 | C601 K602 | C601-T611 CarbonylContact O-C 3.44Å; C601-T611 VanDerWaalsContact O-CA 3.29Å; C601-T611 WeakPolarHBondContact O-CA 3.49Å; K602-T611 HydrophobicContact CB-CG2 3.89Å; K602-T611 HydrophobicContact CG-CG2 3.61Å |
| 612 | T | 91.7 | Very high | 83.7 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 27% | 0.27 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146 | 172.1 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | P472 I474 T600 C601 | P472-T612 WeakPolarHBondContact O-CB 3.19Å; P472-T612 WeakPolarHBondContact O-CG2 3.05Å; P472-T612 PolarHBondContact O-OG1 3.31Å; I474-T612 HydrophobicContact CD1-CG2 3.96Å; I474-T612 HydrophobicContact CG1-CG2 4.02Å; T600-T612 CarbonylContact C-O 3.54Å; T600-T612 WeakPolarHBondContact CA-O 3.06Å; C601-T612 PolarHBondContact N-O 3.01Å; C601-T612 PolarHBondContact O-N 3.08Å |
| 613 | S | 90.2 | Very high | 82.2 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.5 | 176.3 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | I599 T600 | I599-S613 CarbonylContact O-C 3.07Å; I599-S613 WeakPolarHBondContact O-CA 3.41Å; T600-S613 WeakPolarHBondContact CB-OG 3.48Å; T600-S613 WeakPolarHBondContact CG2-OG 3.16Å; T600-S613 PolarHBondContact OG1-OG 2.69Å |
| 614 | I | 87.6 | Confident | 80.7 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.7 | 175.9 | -164.8 | 155 | 0 | 0 | 0 | 111.7 | I474 I476 I598 I599 | I474-I614 HydrophobicContact CD1-CG2 4.17Å; I474-I614 HydrophobicContact CG2-CG2 3.93Å; I476-I614 HydrophobicContact CD1-CD1 3.48Å; I476-I614 VanDerWaalsContact CD1-CD1 3.48Å; I476-I614 HydrophobicContact CD1-CG1 4.11Å; I476-I614 HydrophobicContact CG1-CD1 4.3Å; I598-I614 WeakPolarHBondContact CA-O 3.38Å; I599-I614 HydrophobicContact CB-CG2 4.2Å; I599-I614 PolarHBondContact N-O 2.67Å; I599-I614 PolarHBondContact O-N 3.24Å |
| 615 | N | 86.3 | Confident | 79.3 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 104.1 | -178.6 | -67.8 | 10.9 | 0 | 0 | 0 | 109.7 | N489 M596 I597 | N489-N615 WeakPolarHBondContact CB-O 3.47Å; N489-N615 PolarHBondContact ND2-O 3.13Å; N489-N615 VanDerWaalsContact ND2-O 3.15Å; M596-N615 HydrophobicContact CG-CB 4.4Å; M596-N615 HydrophobicContact SD-CB 3.93Å; I597-N615 WeakPolarHBondContact O-CA 3.18Å |
| 616 | L | 84.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.1 | 178.7 | -92.2 | 149.3 | 0 | 0 | 0 | 111.2 | I476 I491 I506 L558 M596 I597 I599 | I476-L616 HydrophobicContact CD1-CD1 4.1Å; I476-L616 HydrophobicContact CD1-CD2 3.75Å; I476-L616 HydrophobicContact CD1-CG 3.82Å; I476-L616 HydrophobicContact CG1-CD1 4.42Å; I476-L616 HydrophobicContact CG1-CD2 4.44Å; I476-L616 HydrophobicContact CG2-CD2 4.28Å; I491-L616 HydrophobicContact CD1-CD2 3.74Å; I491-L616 HydrophobicContact CG1-CD2 4.05Å; I506-L616 HydrophobicContact CD1-CD1 3.99Å; L558-L616 HydrophobicContact CD1-CD1 4.08Å; M596-L616 CarbonylContact C-O 3.53Å; M596-L616 VanDerWaalsContact CA-O 3.29Å; M596-L616 WeakPolarHBondContact CA-O 3.2Å; I597-L616 HydrophobicContact CB-CB 4.23Å; I597-L616 PolarHBondContact N-O 3.46Å; I597-L616 PolarHBondContact O-N 2.73Å; I599-L616 HydrophobicContact CD1-CD1 3.79Å |
| 617 | L | 82.7 | Confident | 77.8 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.2 | 171.9 | -174.3 | 69.3 | 0 | 0 | 0 | 109.4 | N489 E490 I491 | N489-L617 PolarHBondContact O-N 2.82Å; E490-L617 CarbonylContact C-O 3.45Å; E490-L617 VanDerWaalsContact CA-O 3.26Å; E490-L617 WeakPolarHBondContact CA-O 3.47Å; E490-L617 HydrophobicContact CB-CB 4.49Å; E490-L617 HydrophobicContact CB-CD2 4.5Å; E490-L617 HydrophobicContact CG-CD2 4.18Å; E490-L617 HydrophobicContact CG-CG 4.44Å; I491-L617 PolarHBondContact N-O 2.92Å |
| 618 | I | 80.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.3 | 174.8 | -50.4 | -58.2 | 0 | 0 | 0 | 108.6 | I491 I493 I503 S594 F595 I597 | I491-I618 HydrophobicContact CB-CD1 3.96Å; I491-I618 HydrophobicContact CD1-CD1 4.22Å; I491-I618 HydrophobicContact CG1-CD1 4.31Å; I493-I618 HydrophobicContact CD1-CG2 3.77Å; I493-I618 HydrophobicContact CG1-CG2 4.19Å; I493-I618 HydrophobicContact CG2-CG2 4.49Å; I503-I618 HydrophobicContact CD1-CD1 4.1Å; S594-I618 CarbonylContact C-O 3.58Å; S594-I618 WeakPolarHBondContact CA-O 3.48Å; S594-I618 VanDerWaalsContact CB-O 3.31Å; S594-I618 WeakPolarHBondContact CB-O 3.43Å; F595-I618 HydrophobicContact CD1-CB 4.19Å; F595-I618 HydrophobicContact CD2-CB 4.24Å; F595-I618 HydrophobicContact CD2-CG1 4.33Å; F595-I618 HydrophobicContact CE1-CB 3.74Å; F595-I618 HydrophobicContact CE1-CG2 3.73Å; F595-I618 HydrophobicContact CE2-CB 3.8Å; F595-I618 HydrophobicContact CE2-CG1 3.73Å; F595-I618 HydrophobicContact CE2-CG2 4.33Å; F595-I618 HydrophobicContact CG-CB 4.43Å; F595-I618 HydrophobicContact CZ-CB 3.54Å; F595-I618 HydrophobicContact CZ-CG1 3.87Å; F595-I618 HydrophobicContact CZ-CG2 3.6Å; F595-I618 PolarHBondContact N-O 2.8Å; F595-I618 PolarHBondContact O-N 3.07Å; I597-I618 HydrophobicContact CD1-CD1 4.18Å; I597-I618 HydrophobicContact CD1-CG1 3.78Å; I597-I618 HydrophobicContact CG1-CG1 4.3Å |
| 619 | T | 77 | Confident | 77.3 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135 | -177.8 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | E490 I491 K492 I493 L592 S594 T621 | E490-T619 WeakPolarHBondContact OE1-CB 3.26Å; E490-T619 PolarHBondContact OE1-OG1 2.88Å; I491-T619 PolarHBondContact O-N 3.06Å; K492-T619 CarbonylContact C-O 3.54Å; K492-T619 WeakPolarHBondContact CA-O 3.48Å; I493-T619 PolarHBondContact N-O 2.87Å; L592-T619 HydrophobicContact CD2-CG2 4.5Å; S594-T619 WeakPolarHBondContact CB-OG1 3.19Å; S594-T619 WeakPolarHBondContact OG-CB 3.21Å; S594-T619 PolarHBondContact OG-OG1 3.32Å; T619-T621 HydrophobicContact CG2-CG2 4.03Å |
| 620 | V | 74.2 | Confident | 76.8 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.9 | -179.2 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | I493 E495 L592 | I493-V620 HydrophobicContact CD1-CG2 4.23Å; I493-V620 HydrophobicContact CG1-CG2 4.05Å; I493-V620 CarbonylContact O-C 3.58Å; I493-V620 VanDerWaalsContact O-CA 3.31Å; I493-V620 WeakPolarHBondContact O-CA 3.24Å; E495-V620 HydrophobicContact CB-CG1 3.82Å; L592-V620 VanDerWaalsContact CD2-O 3.23Å; L592-V620 WeakPolarHBondContact CD2-O 3.49Å |
| 621 | T | 68.3 | Low | 75.9 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 170.2 | -170 | 64.3 | 0 | 0 | 0 | 0 | 114 | K492 I493 S494 E495 L592 T619 | K492-T621 HydrophobicContact CB-CG2 4.18Å; K492-T621 HydrophobicContact CG-CG2 4.2Å; I493-T621 PolarHBondContact O-N 3.46Å; S494-T621 WeakPolarHBondContact CA-O 3.31Å; E495-T621 PolarHBondContact N-O 3.42Å; E495-T621 VanDerWaalsContact N-O 3.11Å; L592-T621 HydrophobicContact CD2-CG2 4.24Å; T619-T621 HydrophobicContact CG2-CG2 4.03Å |
| 622 | D | 66.4 | Low | 74.9 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | trans | -79.5 | 143.6 | 171.9 | -173.8 | -22.6 | 0 | 0 | 0 | 110.7 | Q624 Q625 | D622-Q624 VanDerWaalsContact C-N 3.28Å; D622-Q624 PolarHBondContact O-N 3.37Å; D622-Q624 PolarHBondContact OD1-N 2.03Å; D622-Q625 HydrophobicContact CB-CG 4.41Å; D622-Q625 PolarHBondContact O-N 3.41Å | ||
| 623 | Y | 62.5 | Low | 74 | Confident | 145 Ų | 145 | 56.2 Ų | 56.2 | 57% | 0.569 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -66.4 | -25.2 | 179.6 | 83.2 | -81 | 0 | 0 | 0 | 113.6 | Q625 | Y623-Q625 PolarHBondContact O-N 2.8Š|
| 624 | Q | 59.9 | Low | 73.6 | Confident | 144 Ų | 144 | 56.2 Ų | 56.2 | 67% | 0.673 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -74 | -5.8 | 179.5 | -60.1 | -168.1 | 15.2 | 0 | 0 | 113.7 | D622 | D622-Q624 VanDerWaalsContact C-N 3.28Å; D622-Q624 PolarHBondContact O-N 3.37Å; D622-Q624 PolarHBondContact OD1-N 2.03Å |
| 625 | Q | 62.3 | Low | 73.5 | Confident | 113 Ų | 113 | 55.2 Ų | 55.2 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -101.8 | 20.7 | -179.9 | -59.7 | 178 | -0.6 | 0 | 0 | 112.2 | D622 Y623 | D622-Q625 HydrophobicContact CB-CG 4.41Å; D622-Q625 PolarHBondContact O-N 3.41Å; Y623-Q625 PolarHBondContact O-N 2.8Å |
| 626 | I | 62.6 | Low | 73.6 | Confident | 61 Ų | 61 | 57.7 Ų | 57.7 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | trans | -113 | 124.5 | -174.8 | -55.2 | -179 | 0 | 0 | 0 | 110.5 | C481 | C481-I626 HydrophobicContact CB-CG2 3.68Å; C481-I626 WeakPolarHBondContact SG-CG2 3.38Å | ||
| 627 | D | 66.5 | Low | 73.8 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 62% | 0.62 | 29% | 0.29 | S | S | * | . | trans | -77 | 163.6 | -176.1 | -83.4 | -50.7 | 0 | 0 | 0 | 114.8 | C481 | C481-D627 PolarHBondContact SG-O 2.88Š| ||
| 628 | L | 73.5 | Confident | 74.2 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | trans | -79.5 | 126.8 | 177.3 | -168.2 | 72.6 | 0 | 0 | 0 | 110.4 | L654 I658 R721 A723 | L628-L654 HydrophobicContact CD1-CD2 3.6Å; L628-L654 HydrophobicContact CD2-CD2 4.24Å; L628-L654 HydrophobicContact CG-CD2 3.9Å; L628-I658 HydrophobicContact CD1-CD1 3.18Å; L628-R721 HydrophobicContact CB-CB 3.91Å; L628-R721 HydrophobicContact CD2-CB 4.08Å; L628-A723 HydrophobicContact CB-CB 4.26Å; L628-A723 HydrophobicContact CD2-CB 3.95Å; L628-A723 HydrophobicContact CG-CB 3.89Å; L628-A723 WeakPolarHBondContact O-CB 3.42Å | ||
| 629 | C | 74.2 | Confident | 74.6 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | trans | -143.6 | 149.5 | 176.5 | 76.5 | 0 | 0 | 0 | 0 | 114.8 | F484 L654 L655 | F484-C629 HydrophobicContact CE2-CB 3.59Å; F484-C629 HydrophobicContact CZ-CB 3.94Å; C629-L654 WeakPolarHBondContact O-CA 3.18Å; C629-L655 PolarHBondContact O-N 2.85Å | ||
| 630 | F | 78.1 | Confident | 75.2 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 4% | 0.044 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 160.9 | 166.4 | -73.5 | -82.9 | 0 | 0 | 0 | 111.1 | Q632 Y635 P652 Q653 L654 F663 L706 A708 A723 T725 | F630-Q632 VanDerWaalsContact C-N 3.31Å; F630-Q632 PolarHBondContact O-N 3.29Å; F630-Y635 HydrophobicContact CB-CE2 4.46Å; F630-P652 HydrophobicContact CD1-CB 3.87Å; F630-P652 HydrophobicContact CE1-CB 3.84Å; F630-Q653 CarbonylContact C-O 3.6Å; F630-Q653 WeakPolarHBondContact CA-O 3.34Å; F630-L654 HydrophobicContact CD1-CD1 3.68Å; F630-L654 HydrophobicContact CE1-CD1 3.68Å; F630-L654 HydrophobicContact CG-CD1 4.37Å; F630-L654 HydrophobicContact CZ-CD1 4.36Å; F630-F663 HydrophobicContact CE1-CD1 4.37Å; F630-F663 HydrophobicContact CE1-CE1 4.02Å; F630-F663 HydrophobicContact CZ-CE1 4.48Å; F630-L706 HydrophobicContact CZ-CB 4.38Å; F630-A708 HydrophobicContact CE1-CB 4.13Å; F630-A708 HydrophobicContact CE2-CB 3.9Å; F630-A708 HydrophobicContact CZ-CB 3.47Å; F630-A708 VanDerWaalsContact CZ-CB 3.47Å; F630-A723 HydrophobicContact CD2-CB 3.9Å; F630-A723 HydrophobicContact CE2-CB 3.96Å; F630-T725 HydrophobicContact CB-CG2 4.13Å; F630-T725 HydrophobicContact CD1-CG2 3.93Å; F630-T725 HydrophobicContact CD2-CG2 3.38Å; F630-T725 HydrophobicContact CE1-CG2 4.1Å; F630-T725 HydrophobicContact CE2-CG2 3.57Å; F630-T725 HydrophobicContact CG-CG2 3.56Å; F630-T725 HydrophobicContact CZ-CG2 3.92Å |
| 631 | E | 71.8 | Confident | 76 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -64.8 | -33.6 | 174.2 | -174.3 | 179.5 | -169 | 0 | 0 | 112.6 | K483 Q653 | K483-E631 PolarHBondContact NZ-O 3.15Å; E631-Q653 HydrophobicContact CB-CB 4.14Å; E631-Q653 PolarHBondContact N-O 2.82Å |
| 632 | Q | 71 | Confident | 76.9 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 41% | 0.407 | 35% | 0.349 | S | S | . | . | trans | -121.3 | 147.1 | 178.9 | -54.4 | -173.6 | -1.9 | 0 | 0 | 112 | F630 T634 Y635 T725 | F630-Q632 VanDerWaalsContact C-N 3.31Å; F630-Q632 PolarHBondContact O-N 3.29Å; Q632-T634 PolarHBondContact OE1-O 3.26Å; Q632-Y635 HydrophobicContact CB-CD1 4.17Å; Q632-Y635 HydrophobicContact CB-CD2 4.12Å; Q632-Y635 HydrophobicContact CB-CE1 3.9Å; Q632-Y635 HydrophobicContact CB-CE2 3.83Å; Q632-Y635 HydrophobicContact CB-CG 4.27Å; Q632-Y635 HydrophobicContact CG-CD1 4.2Å; Q632-Y635 HydrophobicContact CG-CE1 3.73Å; Q632-T725 PolarHBondContact O-OG1 2.98Å | ||
| 633 | I | 72.8 | Confident | 77.9 | Confident | 98 Ų | 98 | 74.4 Ų | 74.4 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -77.3 | -35.1 | 177.6 | -57.9 | 173.2 | 0 | 0 | 0 | 110.3 | T725 E726 | I633-T725 VanDerWaalsContact C-OG1 3.23Å; I633-T725 PolarHBondContact O-OG1 2.98Å; I633-E726 PolarHBondContact O-N 3.39Å |
| 634 | T | 82.8 | Confident | 79.1 | Confident | 68 Ų | 68 | 73 Ų | 73 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 132.6 | 171.7 | 54.5 | 0 | 0 | 0 | 0 | 107.5 | Q632 E726 | Q632-T634 PolarHBondContact OE1-O 3.26Å; T634-E726 CarbonylContact C-O 3.58Å; T634-E726 WeakPolarHBondContact CA-O 3.49Å; T634-E726 HydrophobicContact CG2-CB 4.12Å; T634-E726 HydrophobicContact CG2-CG 4.38Å |
| 635 | Y | 85.3 | Confident | 80.5 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.7 | 166.3 | -71.2 | -89.9 | 0 | 0 | 0 | 107.7 | F630 Q632 L650 P652 L706 T725 E726 L727 I728 | F630-Y635 HydrophobicContact CB-CE2 4.46Å; Q632-Y635 HydrophobicContact CB-CD1 4.17Å; Q632-Y635 HydrophobicContact CB-CD2 4.12Å; Q632-Y635 HydrophobicContact CB-CE1 3.9Å; Q632-Y635 HydrophobicContact CB-CE2 3.83Å; Q632-Y635 HydrophobicContact CB-CG 4.27Å; Q632-Y635 HydrophobicContact CG-CD1 4.2Å; Q632-Y635 HydrophobicContact CG-CE1 3.73Å; Y635-L650 HydrophobicContact CD1-CD1 3.96Å; Y635-L650 HydrophobicContact CD1-CD2 3.78Å; Y635-L650 HydrophobicContact CD1-CG 4.44Å; Y635-L650 HydrophobicContact CE1-CD1 4.3Å; Y635-L650 HydrophobicContact CG-CD2 3.82Å; Y635-P652 HydrophobicContact CE2-CB 4.09Å; Y635-L706 HydrophobicContact CD2-CD1 4.4Å; Y635-T725 HydrophobicContact CD2-CG2 3.97Å; Y635-T725 HydrophobicContact CE2-CG2 3.89Å; Y635-E726 PolarHBondContact N-O 2.98Å; Y635-L727 CarbonylContact O-C 3.57Å; Y635-L727 WeakPolarHBondContact O-CA 3.23Å; Y635-I728 PolarHBondContact O-N 2.9Å |
| 636 | E | 88.6 | Confident | 81.8 | Confident | 122 Ų | 122 | 65.9 Ų | 65.9 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.7 | 174.7 | -175.2 | 172 | -161.1 | 0 | 0 | 109.9 | I728 N730 | E636-I728 WeakPolarHBondContact CA-O 3.42Å; E636-I728 HydrophobicContact CB-CB 4.43Å; E636-I728 HydrophobicContact CG-CB 4.29Å; E636-I728 HydrophobicContact CG-CG2 4.26Å; E636-N730 PolarHBondContact OE1-ND2 2.73Å |
| 637 | L | 88.8 | Confident | 83 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.5 | 179.3 | -58.4 | 176.7 | 0 | 0 | 0 | 110.2 | I639 L649 L650 L727 I728 I729 N730 | L637-I639 HydrophobicContact CB-CG1 4.2Å; L637-L649 HydrophobicContact CD1-CD1 3.99Å; L637-L649 HydrophobicContact CD1-CD2 4.12Å; L637-L649 HydrophobicContact CD1-CG 3.81Å; L637-L650 HydrophobicContact CD1-CB 4.16Å; L637-L650 HydrophobicContact CD1-CD2 4.32Å; L637-L727 HydrophobicContact CD1-CD1 3.86Å; L637-L727 HydrophobicContact CG-CD1 4.17Å; L637-I728 PolarHBondContact N-O 2.98Å; L637-I729 HydrophobicContact CB-CG1 4.24Å; L637-I729 HydrophobicContact CD1-CG1 4.31Å; L637-N730 PolarHBondContact O-N 2.88Å |
| 638 | I | 90.3 | Very high | 83.8 | Confident | 126 Ų | 126 | 68.2 Ų | 68.2 | 65% | 0.646 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.6 | 165.1 | -57 | 176.5 | 0 | 0 | 0 | 106.1 | N730 T732 | I638-N730 WeakPolarHBondContact CA-O 3.16Å; I638-T732 HydrophobicContact CG2-CG2 3.64Å |
| 639 | I | 89.6 | Confident | 84.4 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.2 | -173.6 | -45.5 | -179.9 | 0 | 0 | 0 | 108.4 | L637 I646 L649 I694 I729 N730 I731 T732 | L637-I639 HydrophobicContact CB-CG1 4.2Å; I639-I646 HydrophobicContact CG2-CD1 3.69Å; I639-L649 HydrophobicContact CD1-CD1 3.61Å; I639-L649 HydrophobicContact CD1-CD2 3.73Å; I639-L649 HydrophobicContact CD1-CG 4.29Å; I639-L649 HydrophobicContact CG1-CD1 4.08Å; I639-I694 HydrophobicContact CD1-CD1 4.07Å; I639-I729 HydrophobicContact CD1-CB 4.44Å; I639-I729 HydrophobicContact CD1-CD1 4.04Å; I639-I729 HydrophobicContact CD1-CG1 4.07Å; I639-I729 HydrophobicContact CD1-CG2 3.55Å; I639-I729 HydrophobicContact CG1-CG2 4.14Å; I639-N730 PolarHBondContact N-O 2.63Å; I639-I731 CarbonylContact O-C 3.56Å; I639-I731 VanDerWaalsContact O-CA 3.32Å; I639-I731 WeakPolarHBondContact O-CA 3.12Å; I639-T732 PolarHBondContact O-N 3.46Å; I639-T732 PolarHBondContact O-OG1 3.45Å |
| 640 | E | 89.1 | Confident | 85 | Confident | 146 Ų | 146 | 70.6 Ų | 70.6 | 68% | 0.682 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 130.3 | 165.7 | -72.5 | 173.1 | -179.9 | 0 | 0 | 109.2 | T732 | E640-T732 WeakPolarHBondContact CA-OG1 3.31Å; E640-T732 WeakPolarHBondContact CG-OG1 3.19Å |
| 641 | E | 91.9 | Very high | 85.4 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | trans | -46.4 | 143.5 | 169.9 | 179.1 | -140.4 | 115.9 | 0 | 0 | 111.1 | R696 I731 T732 I734 | E641-R696 HydrophobicContact CB-CB 4.32Å; E641-R696 HydrophobicContact CG-CB 4.01Å; E641-I731 HydrophobicContact CB-CG2 3.89Å; E641-T732 WeakPolarHBondContact CB-O 3.45Å; E641-T732 PolarHBondContact N-O 3.03Å; E641-I734 HydrophobicContact CB-CG1 4.29Å; E641-I734 WeakPolarHBondContact O-CD1 3.21Å; E641-I734 PolarHBondContact OE2-N 2.75Å | ||
| 642 | S | 87.8 | Confident | 85.7 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -161.4 | 138.2 | 177.9 | -156.1 | 0 | 0 | 0 | 0 | 113.2 | Q644 G693 I694 | S642-Q644 VanDerWaalsContact C-N 3.25Å; S642-Q644 PolarHBondContact OG-N 2.87Å; S642-G693 CarbonylContact O-C 3.56Å; S642-G693 WeakPolarHBondContact O-CA 3.37Å; S642-I694 PolarHBondContact N-O 3.15Å; S642-I694 PolarHBondContact O-N 3.34Å |
| 643 | N | 85.6 | Confident | 85.8 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -82.7 | 5.2 | 163.9 | 61 | 50.4 | 0 | 0 | 0 | 113.6 | ||
| 644 | Q | 88.3 | Confident | 85.9 | Confident | 116 Ų | 116 | 69.3 Ų | 69.3 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -106.2 | 155.7 | 178.2 | -61.4 | -56.4 | -63.2 | 0 | 0 | 112.7 | S642 I646 G693 | S642-Q644 VanDerWaalsContact C-N 3.25Å; S642-Q644 PolarHBondContact OG-N 2.87Å; Q644-I646 PolarHBondContact O-N 3.22Å; Q644-G693 WeakPolarHBondContact O-CA 3.28Å |
| 645 | P | 89.9 | Confident | 84.9 | Confident | 72 Ų | 72 | 69.8 Ų | 69.8 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | trans | -63.6 | 118.4 | 178.4 | -20.5 | 32.3 | 0 | 0 | 0 | 112.9 | L647 P691 | P645-L647 HydrophobicContact CB-CD2 4.48Å; P645-L647 PolarHBondContact O-N 3.05Å; P645-P691 WeakPolarHBondContact CB-O 3.4Å; P645-P691 WeakPolarHBondContact CG-O 3.49Å | ||
| 646 | I | 89 | Confident | 83.7 | Confident | 35 Ų | 35 | 73 Ų | 73 | 18% | 0.179 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 93.4 | 176.3 | -49.5 | 179.1 | 0 | 0 | 0 | 108.5 | I639 Q644 L649 S689 A690 | I639-I646 HydrophobicContact CG2-CD1 3.69Å; Q644-I646 PolarHBondContact O-N 3.22Å; I646-L649 HydrophobicContact CG2-CD1 4.3Å; I646-S689 CarbonylContact O-C 3.59Å; I646-S689 WeakPolarHBondContact O-CA 3.2Å; I646-S689 WeakPolarHBondContact O-CB 3.26Å; I646-A690 HydrophobicContact CB-CB 4.2Å; I646-A690 PolarHBondContact N-O 2.92Å; I646-A690 PolarHBondContact O-N 3.26Å |
| 647 | L | 88 | Confident | 82 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 62% | 0.618 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 146.3 | -178.2 | -59 | 176 | 0 | 0 | 0 | 111.9 | P645 L649 | P645-L647 HydrophobicContact CB-CD2 4.48Å; P645-L647 PolarHBondContact O-N 3.05Å; L647-L649 VanDerWaalsContact C-N 3.29Å; L647-L649 PolarHBondContact O-N 3.33Å |
| 648 | N | 83.8 | Confident | 80.5 | Confident | 108 Ų | 108 | 74.6 Ų | 74.6 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.2 | 34.8 | 172.5 | -49.1 | 7.5 | 0 | 0 | 0 | 114 | L650 I688 S689 | N648-L650 VanDerWaalsContact C-N 3.33Å; N648-L650 PolarHBondContact O-N 2.84Å; N648-I688 CarbonylContact C-O 3.54Å; N648-S689 PolarHBondContact N-OG 2.92Å |
| 649 | L | 85.9 | Confident | 78.9 | Confident | 35 Ų | 35 | 76 Ų | 76 | 18% | 0.183 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | -43.9 | -175.1 | 174.7 | 62.9 | 0 | 0 | 0 | 113.7 | L637 I639 I646 L647 L679 I688 I729 | L637-L649 HydrophobicContact CD1-CD1 3.99Å; L637-L649 HydrophobicContact CD1-CD2 4.12Å; L637-L649 HydrophobicContact CD1-CG 3.81Å; I639-L649 HydrophobicContact CD1-CD1 3.61Å; I639-L649 HydrophobicContact CD1-CD2 3.73Å; I639-L649 HydrophobicContact CD1-CG 4.29Å; I639-L649 HydrophobicContact CG1-CD1 4.08Å; I646-L649 HydrophobicContact CG2-CD1 4.3Å; L647-L649 VanDerWaalsContact C-N 3.29Å; L647-L649 PolarHBondContact O-N 3.33Å; L649-L679 HydrophobicContact CD2-CD2 4.14Å; L649-I688 HydrophobicContact CD2-CG2 4.43Å; L649-I688 PolarHBondContact N-O 3.19Å; L649-I729 HydrophobicContact CD2-CD1 4.25Å |
| 650 | L | 87.4 | Confident | 77.9 | Confident | 28 Ų | 28 | 81.2 Ų | 81.2 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 145.6 | 178.7 | 177.6 | 63.3 | 0 | 0 | 0 | 110.2 | Y635 L637 N648 P652 I688 L727 | Y635-L650 HydrophobicContact CD1-CD1 3.96Å; Y635-L650 HydrophobicContact CD1-CD2 3.78Å; Y635-L650 HydrophobicContact CD1-CG 4.44Å; Y635-L650 HydrophobicContact CE1-CD1 4.3Å; Y635-L650 HydrophobicContact CG-CD2 3.82Å; L637-L650 HydrophobicContact CD1-CB 4.16Å; L637-L650 HydrophobicContact CD1-CD2 4.32Å; N648-L650 VanDerWaalsContact C-N 3.33Å; N648-L650 PolarHBondContact O-N 2.84Å; L650-P652 HydrophobicContact CD2-CG 4.34Å; L650-P652 HydrophobicContact CG-CG 4.32Å; L650-I688 HydrophobicContact CB-CD1 4.4Å; L650-I688 HydrophobicContact CD2-CD1 4.32Å; L650-I688 PolarHBondContact O-N 2.77Å; L650-L727 HydrophobicContact CD2-CD1 3.74Å |
| 651 | R | 85.3 | Confident | 77.5 | Confident | 130 Ų | 130 | 75.4 Ų | 75.4 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | trans | -130.5 | 95 | 168.7 | -170 | 174.9 | 172.2 | -156.8 | -8 | 111 | Q653 T685 E687 | R651-Q653 PolarHBondContact O-NE2 2.77Å; R651-T685 PolarHBondContact NE-O 2.69Å; R651-E687 HydrophobicContact CG-CB 4.3Å | ||
| 652 | P | 78.7 | Confident | 77.2 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | trans | -58.6 | 147.1 | 178.9 | -21.2 | 33.7 | 0 | 0 | 0 | 112.1 | F630 Y635 L650 G686 I688 L706 | F630-P652 HydrophobicContact CD1-CB 3.87Å; F630-P652 HydrophobicContact CE1-CB 3.84Å; Y635-P652 HydrophobicContact CE2-CB 4.09Å; L650-P652 HydrophobicContact CD2-CG 4.34Å; L650-P652 HydrophobicContact CG-CG 4.32Å; P652-G686 WeakPolarHBondContact CD-O 3.3Å; P652-I688 HydrophobicContact CG-CD1 4.45Å; P652-L706 HydrophobicContact CG-CD1 3.87Å | ||
| 653 | Q | 73.6 | Confident | 77.3 | Confident | 87 Ų | 87 | 79.2 Ų | 79.2 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | trans | -110.3 | 149.4 | 175.9 | -56.5 | -55.3 | -52.7 | 0 | 0 | 110.4 | F630 E631 R651 | F630-Q653 CarbonylContact C-O 3.6Å; F630-Q653 WeakPolarHBondContact CA-O 3.34Å; E631-Q653 HydrophobicContact CB-CB 4.14Å; E631-Q653 PolarHBondContact N-O 2.82Å; R651-Q653 PolarHBondContact O-NE2 2.77Å | ||
| 654 | L | 74.2 | Confident | 77.7 | Confident | 38 Ų | 38 | 76.4 Ų | 76.4 | 20% | 0.199 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -105.9 | 146 | 167.7 | -94.1 | 74.7 | 0 | 0 | 0 | 109.9 | L628 C629 F630 D656 V661 F663 A708 | L628-L654 HydrophobicContact CD1-CD2 3.6Å; L628-L654 HydrophobicContact CD2-CD2 4.24Å; L628-L654 HydrophobicContact CG-CD2 3.9Å; C629-L654 WeakPolarHBondContact O-CA 3.18Å; F630-L654 HydrophobicContact CD1-CD1 3.68Å; F630-L654 HydrophobicContact CE1-CD1 3.68Å; F630-L654 HydrophobicContact CG-CD1 4.37Å; F630-L654 HydrophobicContact CZ-CD1 4.36Å; L654-D656 VanDerWaalsContact C-N 3.34Å; L654-D656 PolarHBondContact O-N 3.48Å; L654-V661 HydrophobicContact CD2-CG1 4.29Å; L654-V661 HydrophobicContact CD2-CG2 4.26Å; L654-F663 HydrophobicContact CD1-CE1 3.65Å; L654-F663 HydrophobicContact CD1-CZ 3.94Å; L654-A708 HydrophobicContact CD1-CB 3.97Å; L654-A708 HydrophobicContact CD2-CB 4.22Å |
| 655 | L | 61.2 | Low | 77.9 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 40% | 0.403 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -87.5 | 10.4 | -175.2 | -87.3 | 162.1 | 0 | 0 | 0 | 115 | C629 | C629-L655 PolarHBondContact O-N 2.85Š|
| 656 | D | 59.7 | Low | 78.1 | Confident | 79 Ų | 79 | 73.8 Ų | 73.8 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -141.4 | 143.5 | 174.3 | -175.6 | 24.3 | 0 | 0 | 0 | 111.6 | L654 I658 R721 | L654-D656 VanDerWaalsContact C-N 3.34Å; L654-D656 PolarHBondContact O-N 3.48Å; D656-I658 PolarHBondContact O-N 2.79Å; D656-R721 IonicContact OD2-NH1 3.81Å |
| 657 | I | 54 | Low | 78.4 | Confident | 152 Ų | 152 | 73.8 Ų | 73.8 | 78% | 0.779 | 37% | 0.37 | S | S | * | . | trans | -88.9 | 72.3 | -170.5 | -49.7 | -179.1 | 0 | 0 | 0 | 110.7 | ||||
| 658 | I | 57.1 | Low | 78.6 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 19% | 0.185 | 36% | 0.36 | C | S | . | . | trans | -92.9 | 115.4 | 175.5 | -58 | 157.4 | 0 | 0 | 0 | 109.7 | L628 D656 K660 V661 E710 | L628-I658 HydrophobicContact CD1-CD1 3.18Å; D656-I658 PolarHBondContact O-N 2.79Å; I658-K660 PolarHBondContact O-N 2.8Å; I658-V661 HydrophobicContact CB-CG2 4.13Å; I658-V661 HydrophobicContact CG2-CG2 4.19Å; I658-E710 HydrophobicContact CG2-CG 4.17Å | ||
| 659 | N | 56.6 | Low | 78.8 | Confident | 155 Ų | 155 | 70.7 Ų | 70.7 | 83% | 0.829 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -63.8 | -0.5 | -174.4 | -67.4 | -61.7 | 0 | 0 | 0 | 116.2 | ||
| 660 | K | 69.3 | Low | 79.1 | Confident | 125 Ų | 125 | 75.8 Ų | 75.8 | 54% | 0.543 | 37% | 0.373 | S | S | . | . | trans | -151.9 | 85.1 | -176.3 | -67.1 | -170.1 | -179.3 | 178.8 | 0 | 113.2 | I658 S711 | I658-K660 PolarHBondContact O-N 2.8Å; K660-S711 PolarHBondContact O-N 3.02Å | ||
| 661 | V | 79.1 | Confident | 79.2 | Confident | 23 Ų | 23 | 80.6 Ų | 80.6 | 14% | 0.139 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.7 | 170.6 | -179.5 | 0 | 0 | 0 | 0 | 109 | L654 I658 F663 A708 K709 | L654-V661 HydrophobicContact CD2-CG1 4.29Å; L654-V661 HydrophobicContact CD2-CG2 4.26Å; I658-V661 HydrophobicContact CB-CG2 4.13Å; I658-V661 HydrophobicContact CG2-CG2 4.19Å; V661-F663 HydrophobicContact CG1-CE2 4.4Å; V661-F663 HydrophobicContact CG1-CZ 4.29Å; V661-A708 HydrophobicContact CG1-CB 3.82Å; V661-K709 CarbonylContact C-O 3.55Å; V661-K709 WeakPolarHBondContact CA-O 3.39Å |
| 662 | K | 86.8 | Confident | 79.6 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 46% | 0.457 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.9 | 167.5 | -72.6 | -172.2 | 176.8 | -168.1 | 0 | 110.9 | S683 A708 K709 | K662-S683 CarbonylContact C-O 3.59Å; K662-S683 VanDerWaalsContact CA-O 3.26Å; K662-S683 WeakPolarHBondContact CA-O 3.45Å; K662-A708 CarbonylContact O-C 3.55Å; K662-A708 WeakPolarHBondContact O-CA 3.17Å; K662-K709 PolarHBondContact N-O 2.72Å; K662-K709 PolarHBondContact O-N 2.7Å |
| 663 | F | 90.1 | Very high | 80.3 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 11% | 0.114 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 150.9 | 178 | -61.3 | -87 | 0 | 0 | 0 | 112.1 | F630 L654 V661 I681 S683 I707 A708 | F630-F663 HydrophobicContact CE1-CD1 4.37Å; F630-F663 HydrophobicContact CE1-CE1 4.02Å; F630-F663 HydrophobicContact CZ-CE1 4.48Å; L654-F663 HydrophobicContact CD1-CE1 3.65Å; L654-F663 HydrophobicContact CD1-CZ 3.94Å; V661-F663 HydrophobicContact CG1-CE2 4.4Å; V661-F663 HydrophobicContact CG1-CZ 4.29Å; F663-I681 HydrophobicContact CB-CD1 4.02Å; F663-I681 HydrophobicContact CB-CG1 4.46Å; F663-S683 PolarHBondContact N-O 3.28Å; F663-I707 CarbonylContact C-O 3.41Å; F663-I707 WeakPolarHBondContact CA-O 3.18Å; F663-A708 HydrophobicContact CD1-CB 4.03Å; F663-A708 HydrophobicContact CE1-CB 3.93Å |
| 664 | S | 92.8 | Very high | 81.1 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 151.2 | 171.9 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | I707 | S664-I707 PolarHBondContact N-O 2.82Å; S664-I707 PolarHBondContact O-N 2.68Å |
| 665 | I | 94 | Very high | 81.9 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.2 | 176.3 | -167.2 | 168 | 0 | 0 | 0 | 110 | L679 I681 C704 L705 L706 L727 | I665-L679 HydrophobicContact CD1-CB 4.22Å; I665-L679 HydrophobicContact CD1-CD1 3.61Å; I665-I681 HydrophobicContact CB-CG2 4.02Å; I665-I681 HydrophobicContact CG2-CB 4.3Å; I665-I681 HydrophobicContact CG2-CG2 3.61Å; I665-C704 HydrophobicContact CD1-CB 3.79Å; I665-C704 HydrophobicContact CG1-CB 3.74Å; I665-L705 WeakPolarHBondContact CA-O 3.14Å; I665-L706 HydrophobicContact CB-CD2 4.06Å; I665-L706 HydrophobicContact CD1-CD2 3.78Å; I665-L706 HydrophobicContact CG1-CD2 3.8Å; I665-L727 HydrophobicContact CD1-CD2 4.2Å |
| 666 | Q | 93.8 | Very high | 83.4 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 44% | 0.444 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 153.7 | 171.1 | 65.1 | -178.9 | 28 | 0 | 0 | 110.1 | C704 L705 I707 | Q666-C704 CarbonylContact O-C 3.54Å; Q666-C704 WeakPolarHBondContact O-CA 3.24Å; Q666-L705 HydrophobicContact CG-CB 4.02Å; Q666-L705 PolarHBondContact N-O 3.13Å; Q666-L705 VanDerWaalsContact N-O 3.09Å; Q666-L705 PolarHBondContact O-N 3.37Å; Q666-I707 HydrophobicContact CG-CD1 4.21Å |
| 667 | P | 95.4 | Very high | 85 | Confident | 36 Ų | 36 | 75.4 Ų | 75.4 | 23% | 0.234 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 144.9 | 174.8 | 27.3 | -34.6 | 0 | 0 | 0 | 112.4 | N669 K673 C676 | P667-N669 VanDerWaalsContact C-N 3.27Å; P667-N669 WeakPolarHBondContact CB-O 3.33Å; P667-N669 PolarHBondContact O-N 3.07Å; P667-K673 HydrophobicContact CB-CB 4.47Å; P667-K673 HydrophobicContact CG-CB 4.36Å; P667-K673 HydrophobicContact CG-CG 4.48Å; P667-C676 HydrophobicContact CB-CB 3.9Å |
| 668 | K | 91.7 | Very high | 86.8 | Confident | 90 Ų | 90 | 71 Ų | 71 | 39% | 0.391 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -68.6 | -26.4 | 177.4 | -176.6 | 174.5 | 174.7 | 173.4 | 0 | 112.6 | Y672 I703 L705 E726 | K668-Y672 HydrophobicContact CB-CD2 4.24Å; K668-I703 HydrophobicContact CB-CB 4.29Å; K668-I703 HydrophobicContact CB-CG2 4.19Å; K668-I703 VanDerWaalsContact CB-O 3.3Å; K668-I703 WeakPolarHBondContact CB-O 3.45Å; K668-I703 HydrophobicContact CD-CB 4.19Å; K668-I703 HydrophobicContact CD-CG2 3.65Å; K668-I703 PolarHBondContact N-O 2.79Å; K668-L705 HydrophobicContact CB-CD1 4.46Å; K668-L705 HydrophobicContact CB-CD2 4.46Å; K668-L705 HydrophobicContact CB-CG 4.08Å; K668-L705 HydrophobicContact CG-CD1 4.49Å; K668-L705 HydrophobicContact CG-CD2 4.32Å; K668-L705 HydrophobicContact CG-CG 4.34Å; K668-E726 WeakPolarHBondContact CD-OE1 3.09Å; K668-E726 WeakPolarHBondContact CE-OE1 3.39Å; K668-E726 IonicContact NZ-OE1 3.03Å; K668-E726 PolarHBondContact NZ-OE1 3.35Å; K668-E726 IonicContact NZ-OE2 2.73Å; K668-E726 PolarHBondContact NZ-OE2 2.92Å |
| 669 | N | 89.2 | Confident | 88.6 | Confident | 71 Ų | 71 | 70 Ų | 70 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -157.3 | 170.3 | 172 | 61.1 | 36.8 | 0 | 0 | 0 | 109.9 | P667 K671 Y672 | P667-N669 VanDerWaalsContact C-N 3.27Å; P667-N669 WeakPolarHBondContact CB-O 3.33Å; P667-N669 PolarHBondContact O-N 3.07Å; N669-K671 PolarHBondContact O-N 3.24Å; N669-K671 WeakPolarHBondContact OD1-CA 3.37Å; N669-K671 VanDerWaalsContact OD1-CB 3.28Å; N669-K671 WeakPolarHBondContact OD1-CB 3.48Å; N669-K671 PolarHBondContact OD1-N 3.45Å; N669-Y672 VanDerWaalsContact ND2-CE2 3.33Å; N669-Y672 WeakPolarHBondContact ND2-CE2 3.44Å; N669-Y672 PolarHBondContact O-N 3.39Å; N669-Y672 WeakPolarHBondContact OD1-CD2 3.48Å; N669-Y672 PolarHBondContact OD1-N 2.96Å; N669-Y672 VanDerWaalsContact OD1-N 3.14Å |
| 670 | E | 91.4 | Very high | 90.4 | Very high | 142 Ų | 142 | 68.7 Ų | 68.7 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -63.1 | -21.2 | 179.7 | -76.9 | -79.6 | 142.6 | 0 | 0 | 114 | Y672 K673 | E670-Y672 VanDerWaalsContact C-N 3.34Å; E670-Y672 PolarHBondContact O-N 2.92Å; E670-K673 VanDerWaalsContact O-CB 3.24Å; E670-K673 WeakPolarHBondContact O-CB 3.39Å; E670-K673 PolarHBondContact O-N 2.63Å; E670-K673 IonicContact OE1-NZ 3.84Å; E670-K673 PolarHBondContact OE1-NZ 3.02Å; E670-K673 WeakPolarHBondContact OE2-CD 3.3Å; E670-K673 IonicContact OE2-NZ 2.94Å; E670-K673 PolarHBondContact OE2-NZ 2.83Å |
| 671 | K | 89.6 | Confident | 91.5 | Very high | 129 Ų | 129 | 64.5 Ų | 64.5 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -63.7 | -40.3 | 175.1 | -176.3 | -170.2 | 177.3 | -175.9 | 0 | 111.3 | N669 K673 Y701 | N669-K671 PolarHBondContact O-N 3.24Å; N669-K671 WeakPolarHBondContact OD1-CA 3.37Å; N669-K671 VanDerWaalsContact OD1-CB 3.28Å; N669-K671 WeakPolarHBondContact OD1-CB 3.48Å; N669-K671 PolarHBondContact OD1-N 3.45Å; K671-K673 VanDerWaalsContact C-N 3.28Å; K671-K673 PolarHBondContact O-N 2.87Å; K671-Y701 PolarHBondContact NZ-OH 3.38Å |
| 672 | Y | 93.1 | Very high | 92 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -84.4 | 0.4 | -176.1 | -60.2 | -43.9 | 0 | 0 | 0 | 114.6 | K668 N669 E670 I674 G675 C676 Y701 F702 I703 | K668-Y672 HydrophobicContact CB-CD2 4.24Å; N669-Y672 VanDerWaalsContact ND2-CE2 3.33Å; N669-Y672 WeakPolarHBondContact ND2-CE2 3.44Å; N669-Y672 PolarHBondContact O-N 3.39Å; N669-Y672 WeakPolarHBondContact OD1-CD2 3.48Å; N669-Y672 PolarHBondContact OD1-N 2.96Å; N669-Y672 VanDerWaalsContact OD1-N 3.14Å; E670-Y672 VanDerWaalsContact C-N 3.34Å; E670-Y672 PolarHBondContact O-N 2.92Å; Y672-I674 PolarHBondContact O-N 2.88Å; Y672-G675 PolarHBondContact O-N 2.84Å; Y672-C676 PolarHBondContact O-N 2.97Å; Y672-C676 PolarHBondContact O-SG 3.07Å; Y672-C676 VanDerWaalsContact O-SG 3.36Å; Y672-Y701 HydrophobicContact CE1-CD2 4.34Å; Y672-Y701 AromaticContact CE1-CE2 3.83Å; Y672-Y701 HydrophobicContact CE1-CE2 3.83Å; Y672-Y701 AromaticContact CE1-CZ 4Å; Y672-Y701 WeakPolarHBondContact OH-CE2 3.32Å; Y672-Y701 PolarHBondContact OH-OH 3.48Å; Y672-F702 VanDerWaalsContact CD1-CA 3.46Å; Y672-F702 HydrophobicContact CD1-CB 3.75Å; Y672-F702 HydrophobicContact CG-CB 4.18Å; Y672-I703 WeakPolarHBondContact CB-O 3.36Å; Y672-I703 HydrophobicContact CD2-CB 3.77Å; Y672-I703 HydrophobicContact CD2-CG1 4.24Å; Y672-I703 WeakPolarHBondContact CD2-O 3.36Å; Y672-I703 HydrophobicContact CE1-CG1 4.47Å; Y672-I703 HydrophobicContact CE2-CB 3.77Å; Y672-I703 HydrophobicContact CE2-CD1 3.93Å; Y672-I703 HydrophobicContact CE2-CG1 3.8Å; Y672-I703 HydrophobicContact CG-CB 4.38Å; Y672-I703 VanDerWaalsContact CG-N 3.34Å |
| 673 | K | 92.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 64 Ų | 64 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | -177.6 | -172.2 | 166.7 | -179.5 | 171.6 | 0 | 113.3 | P667 E670 K671 G675 C676 D677 | P667-K673 HydrophobicContact CB-CB 4.47Å; P667-K673 HydrophobicContact CG-CB 4.36Å; P667-K673 HydrophobicContact CG-CG 4.48Å; E670-K673 VanDerWaalsContact O-CB 3.24Å; E670-K673 WeakPolarHBondContact O-CB 3.39Å; E670-K673 PolarHBondContact O-N 2.63Å; E670-K673 IonicContact OE1-NZ 3.84Å; E670-K673 PolarHBondContact OE1-NZ 3.02Å; E670-K673 WeakPolarHBondContact OE2-CD 3.3Å; E670-K673 IonicContact OE2-NZ 2.94Å; E670-K673 PolarHBondContact OE2-NZ 2.83Å; K671-K673 VanDerWaalsContact C-N 3.28Å; K671-K673 PolarHBondContact O-N 2.87Å; K673-G675 VanDerWaalsContact C-N 3.26Å; K673-G675 PolarHBondContact O-N 3.13Å; K673-C676 PolarHBondContact O-N 3.46Å; K673-D677 WeakPolarHBondContact CG-OD2 3.03Å; K673-D677 WeakPolarHBondContact O-CB 3.28Å; K673-D677 PolarHBondContact O-N 3.33Å |
| 674 | I | 90.9 | Very high | 91.9 | Very high | 95 Ų | 95 | 69.7 Ų | 69.7 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.2 | -42.7 | 178.5 | -63.7 | 171.6 | 0 | 0 | 0 | 111.1 | Y672 R678 I699 | Y672-I674 PolarHBondContact O-N 2.88Å; I674-R678 WeakPolarHBondContact O-CG 3.08Å; I674-I699 HydrophobicContact CB-CD1 4.39Å; I674-I699 HydrophobicContact CG2-CG2 4.29Å |
| 675 | G | 91.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -76.9 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y672 K673 D677 R678 F702 | Y672-G675 PolarHBondContact O-N 2.84Å; K673-G675 VanDerWaalsContact C-N 3.26Å; K673-G675 PolarHBondContact O-N 3.13Å; G675-D677 VanDerWaalsContact C-N 3.31Å; G675-D677 PolarHBondContact O-N 2.97Å; G675-R678 WeakPolarHBondContact O-CB 3.1Å; G675-R678 PolarHBondContact O-N 2.93Å; G675-R678 VanDerWaalsContact O-N 3.1Å; G675-F702 VanDerWaalsContact C-CZ 3.5Å; G675-F702 WeakPolarHBondContact O-CE2 3.38Å; G675-F702 VanDerWaalsContact O-CZ 3.28Å; G675-F702 WeakPolarHBondContact O-CZ 3.46Å |
| 676 | C | 94 | Very high | 91 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.7 | -29.8 | -179.1 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | P667 Y672 K673 R678 L679 C704 | P667-C676 HydrophobicContact CB-CB 3.9Å; Y672-C676 PolarHBondContact O-N 2.97Å; Y672-C676 PolarHBondContact O-SG 3.07Å; Y672-C676 VanDerWaalsContact O-SG 3.36Å; K673-C676 PolarHBondContact O-N 3.46Å; C676-R678 PolarHBondContact O-N 2.98Å; C676-L679 PolarHBondContact O-N 2.81Å; C676-L679 VanDerWaalsContact O-N 3.12Å; C676-C704 VanDerWaalsContact CA-SG 3.56Å; C676-C704 HydrophobicContact CB-CB 4.17Å; C676-C704 WeakPolarHBondContact CB-SG 3.39Å; C676-C704 VanDerWaalsContact SG-CA 3.52Å; C676-C704 WeakPolarHBondContact SG-CB 3.42Å; C676-C704 CovalentContact SG-SG 2.04Å; C676-C704 PolarHBondContact SG-SG 3.02Å |
| 677 | D | 93.1 | Very high | 90.8 | Very high | 111 Ų | 111 | 65.6 Ų | 65.6 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.6 | 175 | -68.9 | -2.8 | 0 | 0 | 0 | 112.3 | K673 G675 L679 | K673-D677 WeakPolarHBondContact CG-OD2 3.03Å; K673-D677 WeakPolarHBondContact O-CB 3.28Å; K673-D677 PolarHBondContact O-N 3.33Å; G675-D677 VanDerWaalsContact C-N 3.31Å; G675-D677 PolarHBondContact O-N 2.97Å; D677-L679 VanDerWaalsContact C-N 3.34Å |
| 678 | R | 91.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.2 | 168.6 | -63.4 | -84.6 | -176.1 | 155 | -4.6 | 113 | I674 G675 C676 A690 E698 | I674-R678 WeakPolarHBondContact O-CG 3.08Å; G675-R678 WeakPolarHBondContact O-CB 3.1Å; G675-R678 PolarHBondContact O-N 2.93Å; G675-R678 VanDerWaalsContact O-N 3.1Å; C676-R678 PolarHBondContact O-N 2.98Å; R678-A690 WeakPolarHBondContact O-CA 3.21Å; R678-E698 IonicContact CZ-OE2 3.16Å; R678-E698 IonicContact NE-OE2 3.46Å; R678-E698 IonicContact NH2-OE1 3.2Å; R678-E698 PolarHBondContact NH2-OE1 3.48Å; R678-E698 IonicContact NH2-OE2 2.98Å; R678-E698 PolarHBondContact NH2-OE2 3.39Å |
| 679 | L | 93.9 | Very high | 90.8 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | trans | -100.7 | 136.8 | -177.6 | -60.1 | -177.7 | 0 | 0 | 0 | 112.9 | L649 I665 C676 D677 I688 S689 A690 F702 L727 I729 | L649-L679 HydrophobicContact CD2-CD2 4.14Å; I665-L679 HydrophobicContact CD1-CB 4.22Å; I665-L679 HydrophobicContact CD1-CD1 3.61Å; C676-L679 PolarHBondContact O-N 2.81Å; C676-L679 VanDerWaalsContact O-N 3.12Å; D677-L679 VanDerWaalsContact C-N 3.34Å; L679-I688 HydrophobicContact CB-CG2 4.39Å; L679-I688 HydrophobicContact CD1-CG2 4.25Å; L679-I688 HydrophobicContact CD2-CG2 4.28Å; L679-S689 WeakPolarHBondContact CA-O 3.49Å; L679-A690 HydrophobicContact CD2-CB 3.97Å; L679-F702 HydrophobicContact CD1-CE2 3.88Å; L679-F702 HydrophobicContact CD1-CZ 4.35Å; L679-F702 HydrophobicContact CG-CE2 4.25Å; L679-F702 HydrophobicContact CG-CZ 4.34Å; L679-L727 HydrophobicContact CD1-CD2 4.09Å; L679-I729 HydrophobicContact CD1-CD1 3.86Å; L679-I729 HydrophobicContact CD2-CD1 4.36Å | ||
| 680 | E | 93.6 | Very high | 90.9 | Very high | 128 Ų | 128 | 57.1 Ų | 57.1 | 60% | 0.598 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 150.1 | 164.2 | -69.3 | -172.5 | 169.8 | 0 | 0 | 110.6 | I688 S689 P691 | E680-I688 CarbonylContact O-C 3.49Å; E680-I688 VanDerWaalsContact O-CA 3.32Å; E680-I688 WeakPolarHBondContact O-CA 3.44Å; E680-S689 PolarHBondContact N-O 2.77Å; E680-S689 PolarHBondContact O-N 2.94Å; E680-P691 HydrophobicContact CG-CG 3.88Å |
| 681 | I | 93.5 | Very high | 90.9 | Very high | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.195 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.5 | 176.6 | -171.9 | 171.1 | 0 | 0 | 0 | 111.2 | F663 I665 S683 E687 I688 L706 | F663-I681 HydrophobicContact CB-CD1 4.02Å; F663-I681 HydrophobicContact CB-CG1 4.46Å; I665-I681 HydrophobicContact CB-CG2 4.02Å; I665-I681 HydrophobicContact CG2-CB 4.3Å; I665-I681 HydrophobicContact CG2-CG2 3.61Å; I681-S683 PolarHBondContact O-N 2.93Å; I681-E687 CarbonylContact C-O 3.51Å; I681-E687 WeakPolarHBondContact CA-O 3.5Å; I681-I688 HydrophobicContact CB-CG1 4.38Å; I681-I688 HydrophobicContact CD1-CD1 4.38Å; I681-I688 HydrophobicContact CD1-CG1 3.98Å; I681-I688 HydrophobicContact CG1-CG1 3.97Å; I681-L706 HydrophobicContact CD1-CD2 4Å |
| 682 | D | 90 | Very high | 90.9 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | trans | -71.8 | 119.3 | 171.7 | -177.3 | -75.7 | 0 | 0 | 0 | 110.5 | F684 T685 G686 E687 | D682-F684 PolarHBondContact O-N 3.2Å; D682-F684 WeakPolarHBondContact OD1-CA 3.3Å; D682-F684 WeakPolarHBondContact OD1-CB 3.49Å; D682-F684 PolarHBondContact OD1-N 3.42Å; D682-T685 WeakPolarHBondContact CB-OG1 3.05Å; D682-T685 PolarHBondContact OD1-N 2.91Å; D682-T685 PolarHBondContact OD1-OG1 2.73Å; D682-G686 WeakPolarHBondContact O-CA 3.49Å; D682-G686 PolarHBondContact O-N 2.76Å; D682-E687 PolarHBondContact N-O 2.97Å | ||
| 683 | S | 89.2 | Confident | 90.7 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -6.1 | -174.3 | 69.5 | 0 | 0 | 0 | 0 | 115.5 | K662 F663 I681 | K662-S683 CarbonylContact C-O 3.59Å; K662-S683 VanDerWaalsContact CA-O 3.26Å; K662-S683 WeakPolarHBondContact CA-O 3.45Å; F663-S683 PolarHBondContact N-O 3.28Å; I681-S683 PolarHBondContact O-N 2.93Å |
| 684 | F | 84.1 | Confident | 90.7 | Very high | 144 Ų | 144 | 47 Ų | 47 | 63% | 0.632 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -37.2 | -179.9 | -59 | -79.3 | 0 | 0 | 0 | 113.6 | D682 | D682-F684 PolarHBondContact O-N 3.2Å; D682-F684 WeakPolarHBondContact OD1-CA 3.3Å; D682-F684 WeakPolarHBondContact OD1-CB 3.49Å; D682-F684 PolarHBondContact OD1-N 3.42Å |
| 685 | T | 84 | Confident | 90.7 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 27% | 0.27 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -19 | -179 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | R651 D682 E687 | R651-T685 PolarHBondContact NE-O 2.69Å; D682-T685 WeakPolarHBondContact CB-OG1 3.05Å; D682-T685 PolarHBondContact OD1-N 2.91Å; D682-T685 PolarHBondContact OD1-OG1 2.73Å; T685-E687 WeakPolarHBondContact OG1-CB 3.39Å; T685-E687 PolarHBondContact OG1-N 3.03Å |
| 686 | G | 85.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | 77.9 | 2.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P652 D682 | P652-G686 WeakPolarHBondContact CD-O 3.3Å; D682-G686 WeakPolarHBondContact O-CA 3.49Å; D682-G686 PolarHBondContact O-N 2.76Å | ||
| 687 | E | 88.6 | Confident | 90.7 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 27% | 0.271 | 25% | 0.252 | S | S | . | . | trans | -71.5 | 128.2 | -173.3 | -171.9 | 158.9 | -148.1 | 0 | 0 | 111.9 | R651 I681 D682 T685 | R651-E687 HydrophobicContact CG-CB 4.3Å; I681-E687 CarbonylContact C-O 3.51Å; I681-E687 WeakPolarHBondContact CA-O 3.5Å; D682-E687 PolarHBondContact N-O 2.97Å; T685-E687 WeakPolarHBondContact OG1-CB 3.39Å; T685-E687 PolarHBondContact OG1-N 3.03Å | ||
| 688 | I | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.4 | -174.9 | -54.3 | 177.7 | 0 | 0 | 0 | 109.4 | N648 L649 L650 P652 L679 E680 I681 L706 L727 | N648-I688 CarbonylContact C-O 3.54Å; L649-I688 HydrophobicContact CD2-CG2 4.43Å; L649-I688 PolarHBondContact N-O 3.19Å; L650-I688 HydrophobicContact CB-CD1 4.4Å; L650-I688 HydrophobicContact CD2-CD1 4.32Å; L650-I688 PolarHBondContact O-N 2.77Å; P652-I688 HydrophobicContact CG-CD1 4.45Å; L679-I688 HydrophobicContact CB-CG2 4.39Å; L679-I688 HydrophobicContact CD1-CG2 4.25Å; L679-I688 HydrophobicContact CD2-CG2 4.28Å; E680-I688 CarbonylContact O-C 3.49Å; E680-I688 VanDerWaalsContact O-CA 3.32Å; E680-I688 WeakPolarHBondContact O-CA 3.44Å; I681-I688 HydrophobicContact CB-CG1 4.38Å; I681-I688 HydrophobicContact CD1-CD1 4.38Å; I681-I688 HydrophobicContact CD1-CG1 3.98Å; I681-I688 HydrophobicContact CG1-CG1 3.97Å; I688-L706 HydrophobicContact CD1-CD1 3.94Å; I688-L706 HydrophobicContact CD1-CD2 3.58Å; I688-L706 HydrophobicContact CD1-CG 4.41Å; I688-L727 HydrophobicContact CD1-CD2 3.76Å |
| 689 | S | 92.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.2 | 174.2 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | I646 N648 L679 E680 P691 | I646-S689 CarbonylContact O-C 3.59Å; I646-S689 WeakPolarHBondContact O-CA 3.2Å; I646-S689 WeakPolarHBondContact O-CB 3.26Å; N648-S689 PolarHBondContact N-OG 2.92Å; L679-S689 WeakPolarHBondContact CA-O 3.49Å; E680-S689 PolarHBondContact N-O 2.77Å; E680-S689 PolarHBondContact O-N 2.94Å; S689-P691 WeakPolarHBondContact O-CD 3.48Å |
| 690 | A | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 86.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I646 R678 L679 N692 G693 I694 | I646-A690 HydrophobicContact CB-CB 4.2Å; I646-A690 PolarHBondContact N-O 2.92Å; I646-A690 PolarHBondContact O-N 3.26Å; R678-A690 WeakPolarHBondContact O-CA 3.21Å; L679-A690 HydrophobicContact CD2-CB 3.97Å; A690-N692 VanDerWaalsContact C-N 3.25Å; A690-N692 PolarHBondContact O-N 2.87Å; A690-G693 PolarHBondContact O-N 3.11Å; A690-G693 VanDerWaalsContact O-N 3.14Å; A690-I694 HydrophobicContact CB-CD1 3.96Å; A690-I694 HydrophobicContact CB-CG1 3.77Å |
| 691 | P | 91.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.8 | -168 | 28.1 | -37.6 | 0 | 0 | 0 | 114.5 | P645 E680 S689 | P645-P691 WeakPolarHBondContact CB-O 3.4Å; P645-P691 WeakPolarHBondContact CG-O 3.49Å; E680-P691 HydrophobicContact CG-CG 3.88Å; S689-P691 WeakPolarHBondContact O-CD 3.48Å |
| 692 | N | 88.6 | Confident | 90.6 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 15.4 | 177.3 | -59.8 | -58.5 | 0 | 0 | 0 | 112.5 | A690 | A690-N692 VanDerWaalsContact C-N 3.25Å; A690-N692 PolarHBondContact O-N 2.87Å |
| 693 | G | 89.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | 68 | -173 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S642 Q644 A690 | S642-G693 CarbonylContact O-C 3.56Å; S642-G693 WeakPolarHBondContact O-CA 3.37Å; Q644-G693 WeakPolarHBondContact O-CA 3.28Å; A690-G693 PolarHBondContact O-N 3.11Å; A690-G693 VanDerWaalsContact O-N 3.14Å | ||
| 694 | I | 92 | Very high | 91.1 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -138 | 126.6 | 176.6 | -53.3 | 179.5 | 0 | 0 | 0 | 108.1 | I639 S642 A690 F702 I731 | I639-I694 HydrophobicContact CD1-CD1 4.07Å; S642-I694 PolarHBondContact N-O 3.15Å; S642-I694 PolarHBondContact O-N 3.34Å; A690-I694 HydrophobicContact CB-CD1 3.96Å; A690-I694 HydrophobicContact CB-CG1 3.77Å; I694-F702 HydrophobicContact CD1-CE1 4.38Å; I694-F702 HydrophobicContact CD1-CZ 4.25Å; I694-F702 HydrophobicContact CG2-CE1 4.31Å; I694-I731 HydrophobicContact CG2-CD1 3.5Å; I694-I731 VanDerWaalsContact CG2-CD1 3.5Å; I694-I731 HydrophobicContact CG2-CG1 3.9Å |
| 695 | D | 91.8 | Very high | 91.5 | Very high | 61 Ų | 61 | 36 Ų | 36 | 33% | 0.326 | 19% | 0.186 | S | C | . | . | trans | -101 | 130.8 | 179.3 | 174.5 | -38.6 | 0 | 0 | 0 | 107.7 | E697 E698 I699 | D695-E697 PolarHBondContact OD1-N 3.18Å; D695-E698 HydrophobicContact CB-CB 4.32Å; D695-E698 HydrophobicContact CB-CG 4.38Å; D695-E698 PolarHBondContact OD1-N 2.91Å; D695-I699 PolarHBondContact O-N 3.48Å | ||
| 696 | R | 93.5 | Very high | 91.9 | Very high | 35 Ų | 35 | 34 Ų | 34 | 13% | 0.132 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -31.3 | -172.7 | -176.8 | -163.9 | 161.3 | -80.9 | 0 | 111.7 | E641 E698 I699 S700 I731 D733 | E641-R696 HydrophobicContact CB-CB 4.32Å; E641-R696 HydrophobicContact CG-CB 4.01Å; R696-E698 VanDerWaalsContact C-N 3.3Å; R696-I699 CarbonylContact O-C 3.58Å; R696-I699 PolarHBondContact O-N 2.84Å; R696-S700 PolarHBondContact O-N 2.94Å; R696-I731 HydrophobicContact CB-CG2 3.76Å; R696-I731 HydrophobicContact CG-CB 4.34Å; R696-I731 HydrophobicContact CG-CG2 4Å; R696-D733 VanDerWaalsContact CD-CA 3.46Å; R696-D733 VanDerWaalsContact CD-OD1 3.32Å; R696-D733 WeakPolarHBondContact CD-OD1 3.49Å; R696-D733 IonicContact CZ-OD1 3.04Å; R696-D733 IonicContact NE-OD1 2.63Å; R696-D733 PolarHBondContact NE-OD1 3.46Å; R696-D733 VanDerWaalsContact NE-OD1 3.17Å; R696-D733 IonicContact NH1-OD1 3.49Å; R696-D733 PolarHBondContact NH1-OD1 3.07Å; R696-D733 IonicContact NH2-OD1 2.75Å |
| 697 | E | 92 | Very high | 92.2 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -26.5 | -177 | -71.2 | 48.4 | -105.9 | 0 | 0 | 109.9 | D695 L782 | D695-E697 PolarHBondContact OD1-N 3.18Å; E697-L782 HydrophobicContact CG-CB 4.03Å |
| 698 | E | 90.6 | Very high | 92.1 | Very high | 98 Ų | 98 | 32.8 Ų | 32.8 | 46% | 0.458 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -48.9 | 159.2 | -79.5 | -167.8 | -167.8 | 0 | 0 | 112.9 | R678 D695 R696 | R678-E698 IonicContact CZ-OE2 3.16Å; R678-E698 IonicContact NE-OE2 3.46Å; R678-E698 IonicContact NH2-OE1 3.2Å; R678-E698 PolarHBondContact NH2-OE1 3.48Å; R678-E698 IonicContact NH2-OE2 2.98Å; R678-E698 PolarHBondContact NH2-OE2 3.39Å; D695-E698 HydrophobicContact CB-CB 4.32Å; D695-E698 HydrophobicContact CB-CG 4.38Å; D695-E698 PolarHBondContact OD1-N 2.91Å; R696-E698 VanDerWaalsContact C-N 3.3Å |
| 699 | I | 90.9 | Very high | 91.7 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | trans | -158.3 | 119 | -177.2 | -169.6 | 162.6 | 0 | 0 | 0 | 113.4 | I674 D695 R696 Y701 F702 I731 | I674-I699 HydrophobicContact CB-CD1 4.39Å; I674-I699 HydrophobicContact CG2-CG2 4.29Å; D695-I699 PolarHBondContact O-N 3.48Å; R696-I699 CarbonylContact O-C 3.58Å; R696-I699 PolarHBondContact O-N 2.84Å; I699-Y701 WeakPolarHBondContact CG1-O 3.32Å; I699-F702 HydrophobicContact CD1-CB 3.82Å; I699-F702 HydrophobicContact CD1-CD1 4.39Å; I699-F702 HydrophobicContact CD1-CG 4.49Å; I699-F702 HydrophobicContact CG1-CB 4.45Å; I699-F702 HydrophobicContact CG1-CD1 4.49Å; I699-F702 HydrophobicContact CG2-CD1 4.25Å; I699-I731 WeakPolarHBondContact O-CD1 3.44Å | ||
| 700 | S | 92.2 | Very high | 91 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -85.3 | -20.3 | -176.6 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | R696 I731 | R696-S700 PolarHBondContact O-N 2.94Å; S700-I731 PolarHBondContact O-N 3.34Å |
| 701 | Y | 94.1 | Very high | 89.8 | Confident | 90 Ų | 90 | 39.9 Ų | 39.9 | 35% | 0.353 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 147.4 | 174.6 | 83.1 | -67.2 | 0 | 0 | 0 | 111.7 | K671 Y672 I699 I729 | K671-Y701 PolarHBondContact NZ-OH 3.38Å; Y672-Y701 HydrophobicContact CE1-CD2 4.34Å; Y672-Y701 AromaticContact CE1-CE2 3.83Å; Y672-Y701 HydrophobicContact CE1-CE2 3.83Å; Y672-Y701 AromaticContact CE1-CZ 4Å; Y672-Y701 WeakPolarHBondContact OH-CE2 3.32Å; Y672-Y701 PolarHBondContact OH-OH 3.48Å; I699-Y701 WeakPolarHBondContact CG1-O 3.32Å; Y701-I729 CarbonylContact C-O 3.59Å; Y701-I729 VanDerWaalsContact CA-O 3.25Å; Y701-I729 WeakPolarHBondContact CA-O 3.43Å |
| 702 | F | 95 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 160.1 | 175.6 | 63.4 | -94.5 | 0 | 0 | 0 | 114.9 | Y672 G675 L679 I694 I699 I729 I731 | Y672-F702 VanDerWaalsContact CD1-CA 3.46Å; Y672-F702 HydrophobicContact CD1-CB 3.75Å; Y672-F702 HydrophobicContact CG-CB 4.18Å; G675-F702 VanDerWaalsContact C-CZ 3.5Å; G675-F702 WeakPolarHBondContact O-CE2 3.38Å; G675-F702 VanDerWaalsContact O-CZ 3.28Å; G675-F702 WeakPolarHBondContact O-CZ 3.46Å; L679-F702 HydrophobicContact CD1-CE2 3.88Å; L679-F702 HydrophobicContact CD1-CZ 4.35Å; L679-F702 HydrophobicContact CG-CE2 4.25Å; L679-F702 HydrophobicContact CG-CZ 4.34Å; I694-F702 HydrophobicContact CD1-CE1 4.38Å; I694-F702 HydrophobicContact CD1-CZ 4.25Å; I694-F702 HydrophobicContact CG2-CE1 4.31Å; I699-F702 HydrophobicContact CD1-CB 3.82Å; I699-F702 HydrophobicContact CD1-CD1 4.39Å; I699-F702 HydrophobicContact CD1-CG 4.49Å; I699-F702 HydrophobicContact CG1-CB 4.45Å; I699-F702 HydrophobicContact CG1-CD1 4.49Å; I699-F702 HydrophobicContact CG2-CD1 4.25Å; F702-I729 HydrophobicContact CD1-CB 4.42Å; F702-I729 HydrophobicContact CD1-CG2 4.23Å; F702-I729 HydrophobicContact CD2-CB 4.38Å; F702-I729 HydrophobicContact CE1-CB 4.2Å; F702-I729 HydrophobicContact CE1-CG2 3.76Å; F702-I729 HydrophobicContact CE2-CB 4.16Å; F702-I729 HydrophobicContact CE2-CD1 3.72Å; F702-I729 HydrophobicContact CE2-CG1 4.44Å; F702-I729 HydrophobicContact CZ-CB 4.07Å; F702-I729 HydrophobicContact CZ-CD1 3.74Å; F702-I729 HydrophobicContact CZ-CG1 4.5Å; F702-I729 HydrophobicContact CZ-CG2 3.91Å; F702-I729 PolarHBondContact N-O 3.36Å; F702-I729 PolarHBondContact O-N 2.87Å; F702-I731 HydrophobicContact CD1-CD1 4.05Å; F702-I731 HydrophobicContact CE1-CD1 3.91Å |
| 703 | I | 95 | Very high | 86.5 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.1 | -178.7 | -45.8 | 178.7 | 0 | 0 | 0 | 111.2 | K668 Y672 E726 L727 I728 | K668-I703 HydrophobicContact CB-CB 4.29Å; K668-I703 HydrophobicContact CB-CG2 4.19Å; K668-I703 VanDerWaalsContact CB-O 3.3Å; K668-I703 WeakPolarHBondContact CB-O 3.45Å; K668-I703 HydrophobicContact CD-CB 4.19Å; K668-I703 HydrophobicContact CD-CG2 3.65Å; K668-I703 PolarHBondContact N-O 2.79Å; Y672-I703 WeakPolarHBondContact CB-O 3.36Å; Y672-I703 HydrophobicContact CD2-CB 3.77Å; Y672-I703 HydrophobicContact CD2-CG1 4.24Å; Y672-I703 WeakPolarHBondContact CD2-O 3.36Å; Y672-I703 HydrophobicContact CE1-CG1 4.47Å; Y672-I703 HydrophobicContact CE2-CB 3.77Å; Y672-I703 HydrophobicContact CE2-CD1 3.93Å; Y672-I703 HydrophobicContact CE2-CG1 3.8Å; Y672-I703 HydrophobicContact CG-CB 4.38Å; Y672-I703 VanDerWaalsContact CG-N 3.34Å; I703-E726 HydrophobicContact CG2-CB 4.33Å; I703-L727 CarbonylContact C-O 3.53Å; I703-L727 VanDerWaalsContact CA-O 3.32Å; I703-L727 WeakPolarHBondContact CA-O 3.04Å; I703-I728 HydrophobicContact CD1-CG1 4.4Å; I703-I728 HydrophobicContact CG1-CG1 4.25Å; I703-I728 HydrophobicContact CG2-CG1 4.12Å |
| 704 | C | 94.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 159.7 | 174.1 | -42.2 | 0 | 0 | 0 | 0 | 111 | I665 Q666 C676 L727 | I665-C704 HydrophobicContact CD1-CB 3.79Å; I665-C704 HydrophobicContact CG1-CB 3.74Å; Q666-C704 CarbonylContact O-C 3.54Å; Q666-C704 WeakPolarHBondContact O-CA 3.24Å; C676-C704 VanDerWaalsContact CA-SG 3.56Å; C676-C704 HydrophobicContact CB-CB 4.17Å; C676-C704 WeakPolarHBondContact CB-SG 3.39Å; C676-C704 VanDerWaalsContact SG-CA 3.52Å; C676-C704 WeakPolarHBondContact SG-CB 3.42Å; C676-C704 CovalentContact SG-SG 2.04Å; C676-C704 PolarHBondContact SG-SG 3.02Å; C704-L727 HydrophobicContact CB-CB 4.48Å; C704-L727 PolarHBondContact N-O 3.27Å; C704-L727 PolarHBondContact O-N 2.97Å |
| 705 | L | 93.7 | Very high | 82.1 | Confident | 41 Ų | 41 | 57 Ų | 57 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.7 | 172.9 | -64 | 172.2 | 0 | 0 | 0 | 109 | I665 Q666 K668 E726 | I665-L705 WeakPolarHBondContact CA-O 3.14Å; Q666-L705 HydrophobicContact CG-CB 4.02Å; Q666-L705 PolarHBondContact N-O 3.13Å; Q666-L705 VanDerWaalsContact N-O 3.09Å; Q666-L705 PolarHBondContact O-N 3.37Å; K668-L705 HydrophobicContact CB-CD1 4.46Å; K668-L705 HydrophobicContact CB-CD2 4.46Å; K668-L705 HydrophobicContact CB-CG 4.08Å; K668-L705 HydrophobicContact CG-CD1 4.49Å; K668-L705 HydrophobicContact CG-CD2 4.32Å; K668-L705 HydrophobicContact CG-CG 4.34Å; L705-E726 HydrophobicContact CD2-CG 3.97Å |
| 706 | L | 91.8 | Very high | 79.8 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.8 | 173.8 | -62.3 | 174.1 | 0 | 0 | 0 | 109.2 | F630 Y635 P652 I665 I681 I688 T724 T725 L727 | F630-L706 HydrophobicContact CZ-CB 4.38Å; Y635-L706 HydrophobicContact CD2-CD1 4.4Å; P652-L706 HydrophobicContact CG-CD1 3.87Å; I665-L706 HydrophobicContact CB-CD2 4.06Å; I665-L706 HydrophobicContact CD1-CD2 3.78Å; I665-L706 HydrophobicContact CG1-CD2 3.8Å; I681-L706 HydrophobicContact CD1-CD2 4Å; I688-L706 HydrophobicContact CD1-CD1 3.94Å; I688-L706 HydrophobicContact CD1-CD2 3.58Å; I688-L706 HydrophobicContact CD1-CG 4.41Å; L706-T724 WeakPolarHBondContact O-CA 3.32Å; L706-T725 HydrophobicContact CB-CG2 3.71Å; L706-T725 HydrophobicContact CD1-CG2 4.15Å; L706-T725 HydrophobicContact CG-CG2 4.48Å; L706-T725 PolarHBondContact N-O 2.61Å; L706-T725 PolarHBondContact O-N 3.06Å; L706-L727 HydrophobicContact CD1-CB 3.95Å; L706-L727 HydrophobicContact CD1-CD2 4.34Å; L706-L727 HydrophobicContact CD2-CD2 4.36Å; L706-L727 HydrophobicContact CG-CB 4.05Å |
| 707 | I | 91 | Very high | 77.5 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.1 | -173.4 | -49.2 | 179.9 | 0 | 0 | 0 | 109.1 | F663 S664 Q666 I722 A723 T724 | F663-I707 CarbonylContact C-O 3.41Å; F663-I707 WeakPolarHBondContact CA-O 3.18Å; S664-I707 PolarHBondContact N-O 2.82Å; S664-I707 PolarHBondContact O-N 2.68Å; Q666-I707 HydrophobicContact CG-CD1 4.21Å; I707-I722 HydrophobicContact CG2-CG2 3.86Å; I707-A723 WeakPolarHBondContact CA-O 3.33Å; I707-T724 HydrophobicContact CG1-CG2 4.22Å; I707-T724 HydrophobicContact CG2-CG2 4.28Å |
| 708 | A | 87.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | F630 L654 V661 K662 F663 I722 A723 | F630-A708 HydrophobicContact CE1-CB 4.13Å; F630-A708 HydrophobicContact CE2-CB 3.9Å; F630-A708 HydrophobicContact CZ-CB 3.47Å; F630-A708 VanDerWaalsContact CZ-CB 3.47Å; L654-A708 HydrophobicContact CD1-CB 3.97Å; L654-A708 HydrophobicContact CD2-CB 4.22Å; V661-A708 HydrophobicContact CG1-CB 3.82Å; K662-A708 CarbonylContact O-C 3.55Å; K662-A708 WeakPolarHBondContact O-CA 3.17Å; F663-A708 HydrophobicContact CD1-CB 4.03Å; F663-A708 HydrophobicContact CE1-CB 3.93Å; A708-I722 CarbonylContact O-C 3.52Å; A708-I722 WeakPolarHBondContact O-CA 3.4Å; A708-A723 HydrophobicContact CB-CB 4.44Å; A708-A723 PolarHBondContact N-O 3.19Å; A708-A723 PolarHBondContact O-N 2.97Å |
| 709 | K | 85.9 | Confident | 73.7 | Confident | 104 Ų | 104 | 75.4 Ų | 75.4 | 45% | 0.452 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.5 | -174.3 | -179.2 | 165.9 | -176.4 | 172.3 | 0 | 112.3 | V661 K662 I722 | V661-K709 CarbonylContact C-O 3.55Å; V661-K709 WeakPolarHBondContact CA-O 3.39Å; K662-K709 PolarHBondContact N-O 2.72Å; K662-K709 PolarHBondContact O-N 2.7Å; K709-I722 HydrophobicContact CB-CG1 4.46Å; K709-I722 HydrophobicContact CD-CD1 4.3Å; K709-I722 HydrophobicContact CD-CG1 4.31Å; K709-I722 HydrophobicContact CG-CG1 4.1Å |
| 710 | E | 77.9 | Confident | 72.3 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 133.1 | 175.7 | -166.6 | 164.8 | -147.1 | 0 | 0 | 110.4 | I658 N720 R721 | I658-E710 HydrophobicContact CG2-CG 4.17Å; E710-N720 HydrophobicContact CB-CB 4.43Å; E710-N720 WeakPolarHBondContact O-CB 3.39Å; E710-N720 PolarHBondContact O-ND2 2.77Å; E710-R721 HydrophobicContact CB-CB 4.44Å; E710-R721 PolarHBondContact N-O 2.89Å; E710-R721 IonicContact OE1-CZ 3.61Å; E710-R721 IonicContact OE1-NE 3.57Å; E710-R721 IonicContact OE1-NH2 2.79Å; E710-R721 PolarHBondContact OE1-NH2 3.16Å; E710-R721 WeakPolarHBondContact OE2-CB 3.39Å; E710-R721 WeakPolarHBondContact OE2-CG 3.44Å; E710-R721 IonicContact OE2-CZ 3.75Å; E710-R721 PolarHBondContact OE2-N 3.41Å; E710-R721 IonicContact OE2-NE 2.93Å; E710-R721 PolarHBondContact OE2-NE 2.9Å; E710-R721 IonicContact OE2-NH2 3.68Å |
| 711 | S | 67.1 | Low | 71.4 | Confident | 28 Ų | 28 | 78.2 Ų | 78.2 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | trans | -112.6 | 73 | -169.4 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | K660 | K660-S711 PolarHBondContact O-N 3.02Š| ||
| 712 | D | 59.4 | Low | 70.8 | Confident | 82 Ų | 82 | 78.3 Ų | 78.3 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | trans | -76.1 | 133.9 | 178.2 | -144.4 | -18.8 | 0 | 0 | 0 | 112 | ||||
| 713 | N | 50.5 | Low | 70.3 | Confident | 127 Ų | 127 | 78.6 Ų | 78.6 | 68% | 0.679 | 40% | 0.401 | S | S | * | . | trans | -98.4 | -4.2 | -169.4 | -102.8 | 22.9 | 0 | 0 | 0 | 113.9 | ||||
| 714 | N | 50.9 | Low | 69.9 | Low | 139 Ų | 139 | 82.1 Ų | 82.1 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -113.7 | 113.9 | -175.3 | -73.9 | -29.8 | 0 | 0 | 0 | 110.9 | L716 | N714-L716 PolarHBondContact O-N 3.38Š|
| 715 | N | 38.2 | Very low | 69.5 | Low | 164 Ų | 164 | 82.4 Ų | 82.4 | 88% | 0.877 | 43% | 0.425 | S | S | * | . | trans | -60.8 | 99.2 | 169.6 | -74 | -30.1 | 0 | 0 | 0 | 110.4 | ||||
| 716 | L | 43.9 | Very low | 69.4 | Low | 148 Ų | 148 | 82.8 Ų | 82.8 | 78% | 0.775 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 179.2 | 113.6 | 147.9 | -96.4 | 153.2 | 0 | 0 | 0 | 111.8 | N714 K718 | N714-L716 PolarHBondContact O-N 3.38Å; L716-K718 PolarHBondContact O-N 3.42Å |
| 717 | T | 44.3 | Very low | 69.5 | Low | 143 Ų | 143 | 82.7 Ų | 82.7 | 88% | 0.877 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 69.1 | 0.1 | 154.2 | 62.6 | 0 | 0 | 0 | 0 | 121.9 | ||
| 718 | K | 49.6 | Very low | 69.6 | Low | 159 Ų | 159 | 82.9 Ų | 82.9 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -89.3 | 141.6 | 167.1 | -84.4 | -168.8 | 168.8 | -167.4 | 0 | 112.6 | L716 | L716-K718 PolarHBondContact O-N 3.42Š|
| 719 | Q | 53.5 | Low | 69.8 | Low | 189 Ų | 189 | 82.9 Ų | 82.9 | 88% | 0.883 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 124.3 | 158.5 | -74 | 175.5 | -48.8 | 0 | 0 | 108.2 | R721 | Q719-R721 PolarHBondContact O-N 2.85Š|
| 720 | N | 62.1 | Low | 70.2 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 33% | 0.332 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 126.6 | 171.7 | -57.5 | 45.3 | 0 | 0 | 0 | 108.8 | E710 | E710-N720 HydrophobicContact CB-CB 4.43Å; E710-N720 WeakPolarHBondContact O-CB 3.39Å; E710-N720 PolarHBondContact O-ND2 2.77Å |
| 721 | R | 73.8 | Confident | 70.8 | Confident | 74 Ų | 74 | 79.1 Ų | 79.1 | 28% | 0.279 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 145.5 | 173.8 | -66 | 177.1 | -71.9 | 170.8 | -1 | 110.8 | L628 D656 E710 Q719 | L628-R721 HydrophobicContact CB-CB 3.91Å; L628-R721 HydrophobicContact CD2-CB 4.08Å; D656-R721 IonicContact OD2-NH1 3.81Å; E710-R721 HydrophobicContact CB-CB 4.44Å; E710-R721 PolarHBondContact N-O 2.89Å; E710-R721 IonicContact OE1-CZ 3.61Å; E710-R721 IonicContact OE1-NE 3.57Å; E710-R721 IonicContact OE1-NH2 2.79Å; E710-R721 PolarHBondContact OE1-NH2 3.16Å; E710-R721 WeakPolarHBondContact OE2-CB 3.39Å; E710-R721 WeakPolarHBondContact OE2-CG 3.44Å; E710-R721 IonicContact OE2-CZ 3.75Å; E710-R721 PolarHBondContact OE2-N 3.41Å; E710-R721 IonicContact OE2-NE 2.93Å; E710-R721 PolarHBondContact OE2-NE 2.9Å; E710-R721 IonicContact OE2-NH2 3.68Å; Q719-R721 PolarHBondContact O-N 2.85Å |
| 722 | I | 81.7 | Confident | 72 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.6 | 178.8 | -57.3 | 176.4 | 0 | 0 | 0 | 107.7 | I707 A708 K709 T724 | I707-I722 HydrophobicContact CG2-CG2 3.86Å; A708-I722 CarbonylContact O-C 3.52Å; A708-I722 WeakPolarHBondContact O-CA 3.4Å; K709-I722 HydrophobicContact CB-CG1 4.46Å; K709-I722 HydrophobicContact CD-CD1 4.3Å; K709-I722 HydrophobicContact CD-CG1 4.31Å; K709-I722 HydrophobicContact CG-CG1 4.1Å; I722-T724 HydrophobicContact CG2-CG2 4.38Å |
| 723 | A | 82.8 | Confident | 73.6 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 5% | 0.05 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L628 F630 I707 A708 | L628-A723 HydrophobicContact CB-CB 4.26Å; L628-A723 HydrophobicContact CD2-CB 3.95Å; L628-A723 HydrophobicContact CG-CB 3.89Å; L628-A723 WeakPolarHBondContact O-CB 3.42Å; F630-A723 HydrophobicContact CD2-CB 3.9Å; F630-A723 HydrophobicContact CE2-CB 3.96Å; I707-A723 WeakPolarHBondContact CA-O 3.33Å; A708-A723 HydrophobicContact CB-CB 4.44Å; A708-A723 PolarHBondContact N-O 3.19Å; A708-A723 PolarHBondContact O-N 2.97Å |
| 724 | T | 87.2 | Confident | 75.4 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.8 | 178.1 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | L706 I707 I722 | L706-T724 WeakPolarHBondContact O-CA 3.32Å; I707-T724 HydrophobicContact CG1-CG2 4.22Å; I707-T724 HydrophobicContact CG2-CG2 4.28Å; I722-T724 HydrophobicContact CG2-CG2 4.38Å |
| 725 | T | 87.7 | Confident | 77.4 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 153.8 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | F630 Q632 I633 Y635 L706 | F630-T725 HydrophobicContact CB-CG2 4.13Å; F630-T725 HydrophobicContact CD1-CG2 3.93Å; F630-T725 HydrophobicContact CD2-CG2 3.38Å; F630-T725 HydrophobicContact CE1-CG2 4.1Å; F630-T725 HydrophobicContact CE2-CG2 3.57Å; F630-T725 HydrophobicContact CG-CG2 3.56Å; F630-T725 HydrophobicContact CZ-CG2 3.92Å; Q632-T725 PolarHBondContact O-OG1 2.98Å; I633-T725 VanDerWaalsContact C-OG1 3.23Å; I633-T725 PolarHBondContact O-OG1 2.98Å; Y635-T725 HydrophobicContact CD2-CG2 3.97Å; Y635-T725 HydrophobicContact CE2-CG2 3.89Å; L706-T725 HydrophobicContact CB-CG2 3.71Å; L706-T725 HydrophobicContact CD1-CG2 4.15Å; L706-T725 HydrophobicContact CG-CG2 4.48Å; L706-T725 PolarHBondContact N-O 2.61Å; L706-T725 PolarHBondContact O-N 3.06Å |
| 726 | E | 91.2 | Very high | 79.9 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 23% | 0.229 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 149 | 177.9 | -46.3 | -152.5 | 148.6 | 0 | 0 | 111.4 | I633 T634 Y635 K668 I703 L705 | I633-E726 PolarHBondContact O-N 3.39Å; T634-E726 CarbonylContact C-O 3.58Å; T634-E726 WeakPolarHBondContact CA-O 3.49Å; T634-E726 HydrophobicContact CG2-CB 4.12Å; T634-E726 HydrophobicContact CG2-CG 4.38Å; Y635-E726 PolarHBondContact N-O 2.98Å; K668-E726 WeakPolarHBondContact CD-OE1 3.09Å; K668-E726 WeakPolarHBondContact CE-OE1 3.39Å; K668-E726 IonicContact NZ-OE1 3.03Å; K668-E726 PolarHBondContact NZ-OE1 3.35Å; K668-E726 IonicContact NZ-OE2 2.73Å; K668-E726 PolarHBondContact NZ-OE2 2.92Å; I703-E726 HydrophobicContact CG2-CB 4.33Å; L705-E726 HydrophobicContact CD2-CG 3.97Å |
| 727 | L | 92.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 111.9 | 170.7 | 175.9 | 61.6 | 0 | 0 | 0 | 108.3 | Y635 L637 L650 I665 L679 I688 I703 C704 L706 I729 | Y635-L727 CarbonylContact O-C 3.57Å; Y635-L727 WeakPolarHBondContact O-CA 3.23Å; L637-L727 HydrophobicContact CD1-CD1 3.86Å; L637-L727 HydrophobicContact CG-CD1 4.17Å; L650-L727 HydrophobicContact CD2-CD1 3.74Å; I665-L727 HydrophobicContact CD1-CD2 4.2Å; L679-L727 HydrophobicContact CD1-CD2 4.09Å; I688-L727 HydrophobicContact CD1-CD2 3.76Å; I703-L727 CarbonylContact C-O 3.53Å; I703-L727 VanDerWaalsContact CA-O 3.32Å; I703-L727 WeakPolarHBondContact CA-O 3.04Å; C704-L727 HydrophobicContact CB-CB 4.48Å; C704-L727 PolarHBondContact N-O 3.27Å; C704-L727 PolarHBondContact O-N 2.97Å; L706-L727 HydrophobicContact CD1-CB 3.95Å; L706-L727 HydrophobicContact CD1-CD2 4.34Å; L706-L727 HydrophobicContact CD2-CD2 4.36Å; L706-L727 HydrophobicContact CG-CB 4.05Å; L727-I729 HydrophobicContact CD1-CG1 4.4Å; L727-I729 HydrophobicContact CD2-CD1 4.15Å; L727-I729 HydrophobicContact CG-CD1 4.23Å; L727-I729 HydrophobicContact CG-CG1 4.26Å |
| 728 | I | 93.2 | Very high | 84.4 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 19% | 0.185 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.3 | 177.1 | -58 | 172.3 | 0 | 0 | 0 | 107.6 | Y635 E636 L637 I703 | Y635-I728 PolarHBondContact O-N 2.9Å; E636-I728 WeakPolarHBondContact CA-O 3.42Å; E636-I728 HydrophobicContact CB-CB 4.43Å; E636-I728 HydrophobicContact CG-CB 4.29Å; E636-I728 HydrophobicContact CG-CG2 4.26Å; L637-I728 PolarHBondContact N-O 2.98Å; I703-I728 HydrophobicContact CD1-CG1 4.4Å; I703-I728 HydrophobicContact CG1-CG1 4.25Å; I703-I728 HydrophobicContact CG2-CG1 4.12Å |
| 729 | I | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.5 | 176.6 | -73 | 171.8 | 0 | 0 | 0 | 108.6 | L637 I639 L649 L679 Y701 F702 L727 I731 | L637-I729 HydrophobicContact CB-CG1 4.24Å; L637-I729 HydrophobicContact CD1-CG1 4.31Å; I639-I729 HydrophobicContact CD1-CB 4.44Å; I639-I729 HydrophobicContact CD1-CD1 4.04Å; I639-I729 HydrophobicContact CD1-CG1 4.07Å; I639-I729 HydrophobicContact CD1-CG2 3.55Å; I639-I729 HydrophobicContact CG1-CG2 4.14Å; L649-I729 HydrophobicContact CD2-CD1 4.25Å; L679-I729 HydrophobicContact CD1-CD1 3.86Å; L679-I729 HydrophobicContact CD2-CD1 4.36Å; Y701-I729 CarbonylContact C-O 3.59Å; Y701-I729 VanDerWaalsContact CA-O 3.25Å; Y701-I729 WeakPolarHBondContact CA-O 3.43Å; F702-I729 HydrophobicContact CD1-CB 4.42Å; F702-I729 HydrophobicContact CD1-CG2 4.23Å; F702-I729 HydrophobicContact CD2-CB 4.38Å; F702-I729 HydrophobicContact CE1-CB 4.2Å; F702-I729 HydrophobicContact CE1-CG2 3.76Å; F702-I729 HydrophobicContact CE2-CB 4.16Å; F702-I729 HydrophobicContact CE2-CD1 3.72Å; F702-I729 HydrophobicContact CE2-CG1 4.44Å; F702-I729 HydrophobicContact CZ-CB 4.07Å; F702-I729 HydrophobicContact CZ-CD1 3.74Å; F702-I729 HydrophobicContact CZ-CG1 4.5Å; F702-I729 HydrophobicContact CZ-CG2 3.91Å; F702-I729 PolarHBondContact N-O 3.36Å; F702-I729 PolarHBondContact O-N 2.87Å; L727-I729 HydrophobicContact CD1-CG1 4.4Å; L727-I729 HydrophobicContact CD2-CD1 4.15Å; L727-I729 HydrophobicContact CG-CD1 4.23Å; L727-I729 HydrophobicContact CG-CG1 4.26Å; I729-I731 HydrophobicContact CG2-CD1 4.27Å; I729-I731 HydrophobicContact CG2-CG1 4.01Å |
| 730 | N | 93.1 | Very high | 88.4 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 134.8 | 170.5 | -57.8 | -50.3 | 0 | 0 | 0 | 108.4 | E636 L637 I638 I639 | E636-N730 PolarHBondContact OE1-ND2 2.73Å; L637-N730 PolarHBondContact O-N 2.88Å; I638-N730 WeakPolarHBondContact CA-O 3.16Å; I639-N730 PolarHBondContact N-O 2.63Å |
| 731 | I | 92.5 | Very high | 89.8 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.4 | -176 | -60.1 | 134.1 | 0 | 0 | 0 | 110.4 | I639 E641 I694 R696 I699 S700 F702 I729 | I639-I731 CarbonylContact O-C 3.56Å; I639-I731 VanDerWaalsContact O-CA 3.32Å; I639-I731 WeakPolarHBondContact O-CA 3.12Å; E641-I731 HydrophobicContact CB-CG2 3.89Å; I694-I731 HydrophobicContact CG2-CD1 3.5Å; I694-I731 VanDerWaalsContact CG2-CD1 3.5Å; I694-I731 HydrophobicContact CG2-CG1 3.9Å; R696-I731 HydrophobicContact CB-CG2 3.76Å; R696-I731 HydrophobicContact CG-CB 4.34Å; R696-I731 HydrophobicContact CG-CG2 4Å; I699-I731 WeakPolarHBondContact O-CD1 3.44Å; S700-I731 PolarHBondContact O-N 3.34Å; F702-I731 HydrophobicContact CD1-CD1 4.05Å; F702-I731 HydrophobicContact CE1-CD1 3.91Å; I729-I731 HydrophobicContact CG2-CD1 4.27Å; I729-I731 HydrophobicContact CG2-CG1 4.01Å |
| 732 | T | 91.9 | Very high | 90.4 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 36% | 0.356 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 136 | 176.3 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | I638 I639 E640 E641 | I638-T732 HydrophobicContact CG2-CG2 3.64Å; I639-T732 PolarHBondContact O-N 3.46Å; I639-T732 PolarHBondContact O-OG1 3.45Å; E640-T732 WeakPolarHBondContact CA-OG1 3.31Å; E640-T732 WeakPolarHBondContact CG-OG1 3.19Å; E641-T732 WeakPolarHBondContact CB-O 3.45Å; E641-T732 PolarHBondContact N-O 3.03Å |
| 733 | D | 91.4 | Very high | 90.4 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 19% | 0.187 | 24% | 0.236 | C | C | . | . | trans | -65.2 | 134.4 | -173.5 | -160.1 | 90.8 | 0 | 0 | 0 | 113.4 | R696 F784 N787 | R696-D733 VanDerWaalsContact CD-CA 3.46Å; R696-D733 VanDerWaalsContact CD-OD1 3.32Å; R696-D733 WeakPolarHBondContact CD-OD1 3.49Å; R696-D733 IonicContact CZ-OD1 3.04Å; R696-D733 IonicContact NE-OD1 2.63Å; R696-D733 PolarHBondContact NE-OD1 3.46Å; R696-D733 VanDerWaalsContact NE-OD1 3.17Å; R696-D733 IonicContact NH1-OD1 3.49Å; R696-D733 PolarHBondContact NH1-OD1 3.07Å; R696-D733 IonicContact NH2-OD1 2.75Å; D733-F784 HydrophobicContact CB-CB 4.33Å; D733-F784 VanDerWaalsContact CG-N 3.3Å; D733-F784 WeakPolarHBondContact OD1-CB 3.29Å; D733-F784 PolarHBondContact OD1-N 3.14Å; D733-F784 PolarHBondContact OD2-N 3.27Å; D733-N787 WeakPolarHBondContact OD2-CB 3.13Å; D733-N787 PolarHBondContact OD2-ND2 2.74Å | ||
| 734 | I | 90.2 | Very high | 90.1 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 36% | 0.359 | 26% | 0.256 | S | S | . | . | trans | -110.5 | 150.6 | 166.4 | -65.3 | -174.2 | 0 | 0 | 0 | 109 | E641 D736 | E641-I734 HydrophobicContact CB-CG1 4.29Å; E641-I734 WeakPolarHBondContact O-CD1 3.21Å; E641-I734 PolarHBondContact OE2-N 2.75Å; I734-D736 PolarHBondContact O-N 3.16Å; I734-D736 VanDerWaalsContact O-N 3.09Å | ||
| 735 | N | 91.5 | Very high | 89.9 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -80 | 87.2 | 174.3 | -156.6 | 57.2 | 0 | 0 | 0 | 108.9 | D783 N787 D862 I867 | N735-D783 VanDerWaalsContact CA-OD2 3.3Å; N735-D783 WeakPolarHBondContact CA-OD2 3.17Å; N735-N787 HydrophobicContact CB-CB 4.23Å; N735-N787 PolarHBondContact N-ND2 2.7Å; N735-N787 WeakPolarHBondContact OD1-CA 3.23Å; N735-N787 WeakPolarHBondContact OD1-CB 3.21Å; N735-N787 PolarHBondContact OD1-OD1 3.33Å; N735-D862 PolarHBondContact ND2-OD2 3.27Å; N735-D862 PolarHBondContact OD1-OD2 2.74Å; N735-I867 PolarHBondContact ND2-O 3.41Å |
| 736 | D | 90.2 | Very high | 89.6 | Confident | 83 Ų | 83 | 49.8 Ų | 49.8 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | trans | -114.5 | -34.4 | -170.2 | 173.4 | -88.2 | 0 | 0 | 0 | 111.8 | I734 D783 L869 | I734-D736 PolarHBondContact O-N 3.16Å; I734-D736 VanDerWaalsContact O-N 3.09Å; D736-D783 PolarHBondContact N-OD2 2.7Å; D736-L869 WeakPolarHBondContact O-CD1 3.28Å | ||
| 737 | N | 91 | Very high | 88.9 | Confident | 35 Ų | 35 | 53 Ų | 53 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 142 | -178.9 | -69.5 | -86.9 | 0 | 0 | 0 | 113 | L782 D783 L869 | N737-L782 HydrophobicContact CB-CB 4.17Å; N737-D783 VanDerWaalsContact CB-OD1 3.24Å; N737-D783 WeakPolarHBondContact CB-OD1 3.43Å; N737-D783 PolarHBondContact N-OD1 3.2Å; N737-D783 PolarHBondContact N-OD2 2.77Å; N737-D783 PolarHBondContact ND2-OD1 2.67Å; N737-L869 WeakPolarHBondContact O-CD1 3.34Å |
| 738 | E | 93 | Very high | 88.2 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 139.5 | 173 | 66.3 | -179.1 | 163 | 0 | 0 | 111.3 | K740 L869 | E738-K740 HydrophobicContact CG-CD 4.47Å; E738-K740 PolarHBondContact O-NZ 3.19Å; E738-K740 WeakPolarHBondContact OE1-CE 3.34Å; E738-K740 IonicContact OE1-NZ 3Å; E738-K740 PolarHBondContact OE1-NZ 2.85Å; E738-L869 HydrophobicContact CB-CB 4.44Å |
| 739 | P | 95.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 138.5 | -178.1 | 21.5 | -30.6 | 0 | 0 | 0 | 111.8 | D781 I790 L860 S871 | P739-D781 WeakPolarHBondContact CA-OD2 3.33Å; P739-D781 HydrophobicContact CB-CB 4.39Å; P739-D781 WeakPolarHBondContact CB-OD2 3.26Å; P739-D781 WeakPolarHBondContact CD-OD2 3.4Å; P739-D781 VanDerWaalsContact N-OD2 3.13Å; P739-I790 HydrophobicContact CB-CD1 3.89Å; P739-I790 HydrophobicContact CB-CG1 3.95Å; P739-I790 HydrophobicContact CB-CG2 3.88Å; P739-I790 HydrophobicContact CG-CG2 4.47Å; P739-L860 HydrophobicContact CB-CB 3.96Å; P739-L860 HydrophobicContact CB-CD1 4.14Å; P739-L860 HydrophobicContact CG-CB 3.77Å; P739-L860 WeakPolarHBondContact O-CD1 3.41Å; P739-S871 VanDerWaalsContact O-CB 3.29Å; P739-S871 WeakPolarHBondContact O-CB 3.36Å; P739-S871 PolarHBondContact O-OG 2.7Å |
| 740 | K | 91.7 | Very high | 87.7 | Confident | 95 Ų | 95 | 61 Ų | 61 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.3 | -173 | -77.9 | 156.7 | 178.2 | 122.6 | 0 | 112.5 | E738 A779 I780 | E738-K740 HydrophobicContact CG-CD 4.47Å; E738-K740 PolarHBondContact O-NZ 3.19Å; E738-K740 WeakPolarHBondContact OE1-CE 3.34Å; E738-K740 IonicContact OE1-NZ 3Å; E738-K740 PolarHBondContact OE1-NZ 2.85Å; K740-A779 CarbonylContact O-C 3.55Å; K740-A779 WeakPolarHBondContact O-CA 3.15Å; K740-I780 PolarHBondContact N-O 2.83Å; K740-I780 PolarHBondContact O-N 2.98Å |
| 741 | L | 90.9 | Very high | 87.4 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 152 | 173.2 | -70.8 | 173 | 0 | 0 | 0 | 110.5 | K743 L746 L777 A779 Y792 I858 L860 Q873 I875 | L741-K743 PolarHBondContact O-N 2.79Å; L741-L746 HydrophobicContact CB-CD1 4.46Å; L741-L746 HydrophobicContact CB-CD2 4.24Å; L741-L746 HydrophobicContact CB-CG 4.17Å; L741-L746 HydrophobicContact CD1-CD2 3.92Å; L741-L777 HydrophobicContact CD1-CD2 4.24Å; L741-L777 HydrophobicContact CD2-CB 3.98Å; L741-L777 HydrophobicContact CD2-CD2 3.98Å; L741-L777 HydrophobicContact CD2-CG 4.46Å; L741-A779 HydrophobicContact CD2-CB 4.12Å; L741-Y792 HydrophobicContact CD2-CE1 4.4Å; L741-I858 HydrophobicContact CD1-CD1 4.44Å; L741-L860 HydrophobicContact CD2-CD1 4.42Å; L741-L860 HydrophobicContact CD2-CD2 4.45Å; L741-L860 HydrophobicContact CG-CD1 4.22Å; L741-Q873 VanDerWaalsContact CB-OE1 3.27Å; L741-Q873 HydrophobicContact CD1-CB 4.01Å; L741-I875 HydrophobicContact CD1-CG2 3.85Å |
| 742 | N | 86.1 | Confident | 87.3 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | trans | -57 | 133.4 | 167 | -177.4 | 15.6 | 0 | 0 | 0 | 110.3 | D744 I745 L746 N778 | N742-D744 PolarHBondContact ND2-OD2 2.94Å; N742-D744 PolarHBondContact O-N 2.83Å; N742-D744 VanDerWaalsContact O-N 3.16Å; N742-D744 PolarHBondContact OD1-N 3Å; N742-D744 PolarHBondContact OD1-OD2 2.7Å; N742-I745 HydrophobicContact CB-CD1 4.4Å; N742-I745 HydrophobicContact CB-CG1 4.46Å; N742-I745 PolarHBondContact O-N 3.26Å; N742-L746 PolarHBondContact O-N 2.83Å; N742-N778 PolarHBondContact N-O 3.16Å | ||
| 743 | K | 82.2 | Confident | 87.1 | Confident | 167 Ų | 167 | 65.3 Ų | 65.3 | 73% | 0.726 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -55.5 | -32 | -179 | -67.6 | 171.6 | -176.5 | 169 | 0 | 112.8 | L741 I745 L746 L747 | L741-K743 PolarHBondContact O-N 2.79Å; K743-I745 VanDerWaalsContact C-N 3.33Å; K743-I745 PolarHBondContact O-N 2.94Å; K743-L746 PolarHBondContact O-N 2.94Å; K743-L747 VanDerWaalsContact O-CB 3.31Å; K743-L747 WeakPolarHBondContact O-CB 3.5Å; K743-L747 PolarHBondContact O-N 3.27Å |
| 744 | D | 76.8 | Confident | 86.9 | Confident | 87 Ų | 87 | 64 Ų | 64 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 177.2 | -56.8 | -45.7 | 0 | 0 | 0 | 112 | N742 L746 L747 Y748 | N742-D744 PolarHBondContact ND2-OD2 2.94Å; N742-D744 PolarHBondContact O-N 2.83Å; N742-D744 VanDerWaalsContact O-N 3.16Å; N742-D744 PolarHBondContact OD1-N 3Å; N742-D744 PolarHBondContact OD1-OD2 2.7Å; D744-L746 VanDerWaalsContact C-N 3.34Å; D744-L747 PolarHBondContact O-N 2.74Å; D744-Y748 HydrophobicContact CB-CD2 4.19Å; D744-Y748 HydrophobicContact CB-CE2 4.44Å; D744-Y748 WeakPolarHBondContact O-CB 3.47Å; D744-Y748 VanDerWaalsContact O-CD2 3.24Å; D744-Y748 WeakPolarHBondContact O-CD2 3.44Å; D744-Y748 PolarHBondContact O-N 3.16Å |
| 745 | I | 83 | Confident | 86.8 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70 | -35.9 | -179.9 | -57.3 | 176.9 | 0 | 0 | 0 | 110.4 | N742 K743 L747 G749 F750 L777 N778 I875 | N742-I745 HydrophobicContact CB-CD1 4.4Å; N742-I745 HydrophobicContact CB-CG1 4.46Å; N742-I745 PolarHBondContact O-N 3.26Å; K743-I745 VanDerWaalsContact C-N 3.33Å; K743-I745 PolarHBondContact O-N 2.94Å; I745-L747 VanDerWaalsContact C-N 3.32Å; I745-G749 WeakPolarHBondContact O-CA 3.08Å; I745-G749 PolarHBondContact O-N 3.09Å; I745-F750 HydrophobicContact CG2-CE2 3.93Å; I745-F750 HydrophobicContact CG2-CZ 3.99Å; I745-L777 HydrophobicContact CG2-CD2 4.07Å; I745-N778 HydrophobicContact CD1-CB 4Å; I745-N778 VanDerWaalsContact CD1-N 3.31Å; I745-I875 HydrophobicContact CG2-CG2 3.95Å |
| 746 | L | 82.6 | Confident | 86.5 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.6 | -27.6 | 173.8 | -62.5 | 174.5 | 0 | 0 | 0 | 113 | L741 N742 K743 D744 Q873 | L741-L746 HydrophobicContact CB-CD1 4.46Å; L741-L746 HydrophobicContact CB-CD2 4.24Å; L741-L746 HydrophobicContact CB-CG 4.17Å; L741-L746 HydrophobicContact CD1-CD2 3.92Å; N742-L746 PolarHBondContact O-N 2.83Å; K743-L746 PolarHBondContact O-N 2.94Å; D744-L746 VanDerWaalsContact C-N 3.34Å; L746-Q873 HydrophobicContact CD2-CB 4.13Å |
| 747 | L | 75.5 | Confident | 85.8 | Confident | 116 Ų | 116 | 68.4 Ų | 68.4 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -91.9 | -37 | -175.5 | -175.8 | 63.2 | 0 | 0 | 0 | 113.4 | K743 D744 I745 | K743-L747 VanDerWaalsContact O-CB 3.31Å; K743-L747 WeakPolarHBondContact O-CB 3.5Å; K743-L747 PolarHBondContact O-N 3.27Å; D744-L747 PolarHBondContact O-N 2.74Å; I745-L747 VanDerWaalsContact C-N 3.32Å |
| 748 | Y | 77.1 | Confident | 84.9 | Confident | 158 Ų | 158 | 72.1 Ų | 72.1 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -109.5 | -18.4 | -174.3 | -58.9 | -64.6 | 0 | 0 | 0 | 114.2 | D744 Y878 | D744-Y748 HydrophobicContact CB-CD2 4.19Å; D744-Y748 HydrophobicContact CB-CE2 4.44Å; D744-Y748 WeakPolarHBondContact O-CB 3.47Å; D744-Y748 VanDerWaalsContact O-CD2 3.24Å; D744-Y748 WeakPolarHBondContact O-CD2 3.44Å; D744-Y748 PolarHBondContact O-N 3.16Å; Y748-Y878 WeakPolarHBondContact O-CE2 3.28Å |
| 749 | G | 85 | Confident | 83.6 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | trans | 58.4 | -145.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I745 Q876 | I745-G749 WeakPolarHBondContact O-CA 3.08Å; I745-G749 PolarHBondContact O-N 3.09Å; G749-Q876 CarbonylContact C-O 3.26Å; G749-Q876 WeakPolarHBondContact CA-O 3.2Å | ||
| 750 | F | 91.2 | Very high | 81.5 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 166.9 | 172 | -58.4 | -80.7 | 0 | 0 | 0 | 111.1 | I745 I774 L777 I836 I875 Q876 I877 Y878 | I745-F750 HydrophobicContact CG2-CE2 3.93Å; I745-F750 HydrophobicContact CG2-CZ 3.99Å; F750-I774 HydrophobicContact CB-CG2 3.6Å; F750-I774 HydrophobicContact CD2-CG2 4.49Å; F750-I774 HydrophobicContact CG-CG2 3.99Å; F750-L777 HydrophobicContact CE2-CD2 4.35Å; F750-I836 HydrophobicContact CD2-CD1 4.47Å; F750-I836 HydrophobicContact CE2-CD1 4.05Å; F750-I875 HydrophobicContact CD2-CD1 3.94Å; F750-I875 HydrophobicContact CE2-CD1 3.86Å; F750-Q876 PolarHBondContact N-O 3.43Å; F750-I877 HydrophobicContact CB-CG1 4.41Å; F750-I877 WeakPolarHBondContact O-CA 3.33Å; F750-Y878 WeakPolarHBondContact O-CD2 3.45Å; F750-Y878 PolarHBondContact O-N 2.8Å |
| 751 | T | 87.6 | Confident | 79.2 | Confident | 93 Ų | 93 | 78 Ų | 78 | 57% | 0.571 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.2 | 175.5 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | Y878 T880 | T751-Y878 WeakPolarHBondContact CA-O 3.19Å; T751-Y878 HydrophobicContact CG2-CD2 4.32Å; T751-T880 HydrophobicContact CG2-CG2 4.13Å |
| 752 | I | 89.6 | Confident | 76.7 | Confident | 16 Ų | 16 | 85.5 Ų | 85.5 | 8% | 0.082 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 135.8 | 173.3 | -167 | 174.9 | 0 | 0 | 0 | 110.1 | I774 L838 I846 I877 Y878 V879 T880 | I752-I774 HydrophobicContact CD1-CD1 3.93Å; I752-I774 HydrophobicContact CD1-CG1 4.12Å; I752-L838 HydrophobicContact CD1-CD2 3.58Å; I752-I846 HydrophobicContact CG2-CG2 4.26Å; I752-I877 HydrophobicContact CB-CG2 4.36Å; I752-I877 HydrophobicContact CG2-CG2 3.79Å; I752-Y878 PolarHBondContact N-O 3.24Å; I752-V879 HydrophobicContact CG2-CG2 4.33Å; I752-V879 CarbonylContact O-C 3.58Å; I752-V879 WeakPolarHBondContact O-CA 3.46Å; I752-T880 PolarHBondContact O-N 2.97Å; I752-T880 PolarHBondContact O-OG1 2.88Å |
| 753 | N | 86.7 | Confident | 74.4 | Confident | 101 Ų | 101 | 90 Ų | 90 | 54% | 0.54 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 142.2 | 170.7 | -61.7 | 40.3 | 0 | 0 | 0 | 110 | H843 T880 V882 | N753-H843 PolarHBondContact O-NE2 3.38Å; N753-T880 WeakPolarHBondContact CA-OG1 3.31Å; N753-T880 PolarHBondContact OD1-OG1 2.63Å; N753-V882 HydrophobicContact CB-CG2 4.49Å |
| 754 | E | 88.7 | Confident | 72.3 | Confident | 7 Ų | 7 | 86.7 Ų | 86.7 | 3% | 0.033 | 44% | 0.443 | C | S | . | . | trans | -68.6 | -179.6 | 166.4 | 68.7 | -165.3 | 121.6 | 0 | 0 | 112.8 | H843 I846 R848 V879 T880 D881 V882 | E754-H843 PolarHBondContact O-NE2 2.84Å; E754-I846 HydrophobicContact CB-CG2 4.3Å; E754-R848 VanDerWaalsContact CD-CB 3.47Å; E754-R848 WeakPolarHBondContact OE1-CB 3.16Å; E754-R848 IonicContact OE1-NH1 2.73Å; E754-R848 WeakPolarHBondContact OE2-CB 3.34Å; E754-R848 PolarHBondContact OE2-N 3.43Å; E754-V879 HydrophobicContact CB-CG1 3.7Å; E754-T880 PolarHBondContact N-O 3.44Å; E754-D881 VanDerWaalsContact OE1-CA 3.25Å; E754-D881 WeakPolarHBondContact OE1-CA 3.34Å; E754-V882 HydrophobicContact CG-CB 3.82Å; E754-V882 HydrophobicContact CG-CG2 3.91Å; E754-V882 PolarHBondContact OE1-N 2.92Å | ||
| 755 | W | 87 | Confident | 70.2 | Confident | 99 Ų | 99 | 92 Ų | 92 | 38% | 0.375 | 47% | 0.465 | S | S | . | . | trans | -78.6 | 135.2 | 176 | -178.8 | -95.3 | 0 | 0 | 0 | 111.8 | H843 I846 | W755-H843 HydrophobicContact CE3-CB 3.85Å; W755-H843 AromaticContact CE3-CG 3.8Å; W755-H843 AromaticContact CE3-ND1 3.75Å; W755-H843 HydrophobicContact CZ3-CB 4.13Å; W755-I846 PolarHBondContact N-O 3.14Å | ||
| 756 | D | 84.7 | Confident | 67.8 | Low | 21 Ų | 21 | 98.2 Ų | 98.2 | 11% | 0.112 | 50% | 0.496 | C | S | . | . | trans | -98.8 | 108.7 | 175 | -177.6 | -29.4 | 0 | 0 | 0 | 109.6 | Y758 L759 V882 R1004 | D756-Y758 PolarHBondContact O-N 3.3Å; D756-Y758 WeakPolarHBondContact OD1-CA 3.44Å; D756-Y758 WeakPolarHBondContact OD1-CB 3.4Å; D756-Y758 PolarHBondContact OD1-N 3.18Å; D756-L759 HydrophobicContact CB-CB 4.03Å; D756-L759 HydrophobicContact CB-CD1 4.04Å; D756-L759 HydrophobicContact CB-CG 4.22Å; D756-L759 PolarHBondContact O-N 2.98Å; D756-L759 PolarHBondContact OD1-N 3.16Å; D756-L759 VanDerWaalsContact OD2-CD1 3.28Å; D756-L759 WeakPolarHBondContact OD2-CD1 3.24Å; D756-L759 WeakPolarHBondContact OD2-CG 3.37Å; D756-V882 HydrophobicContact CB-CG1 4.12Å; D756-R1004 IonicContact OD1-CZ 3.44Å; D756-R1004 IonicContact OD1-NH1 2.81Å; D756-R1004 PolarHBondContact OD1-NH1 2.67Å; D756-R1004 VanDerWaalsContact OD1-NH1 3.16Å; D756-R1004 IonicContact OD1-NH2 3.3Å; D756-R1004 PolarHBondContact OD1-NH2 2.79Å; D756-R1004 IonicContact OD2-CZ 2.71Å; D756-R1004 VanDerWaalsContact OD2-CZ 3.31Å; D756-R1004 IonicContact OD2-NH1 3.11Å; D756-R1004 PolarHBondContact OD2-NH1 2.89Å; D756-R1004 IonicContact OD2-NH2 2.69Å; D756-R1004 PolarHBondContact OD2-NH2 3.25Å | ||
| 757 | E | 76.3 | Confident | 65.6 | Low | 149 Ų | 149 | 100.7 Ų | 100.7 | 70% | 0.696 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.8 | 178.5 | -174.6 | 166.7 | -143.5 | 0 | 0 | 113.1 | ||
| 758 | Y | 72.8 | Confident | 63.9 | Low | 113 Ų | 113 | 104.9 Ų | 104.9 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -18.5 | -176.9 | -53.6 | -94.9 | 0 | 0 | 0 | 113.9 | D756 G760 D884 L1006 | D756-Y758 PolarHBondContact O-N 3.3Å; D756-Y758 WeakPolarHBondContact OD1-CA 3.44Å; D756-Y758 WeakPolarHBondContact OD1-CB 3.4Å; D756-Y758 PolarHBondContact OD1-N 3.18Å; Y758-G760 PolarHBondContact O-N 3.16Å; Y758-D884 VanDerWaalsContact CE2-O 3.25Å; Y758-D884 WeakPolarHBondContact CE2-O 3.42Å; Y758-D884 PolarHBondContact OH-O 3.43Å; Y758-D884 VanDerWaalsContact OH-O 3.13Å; Y758-L1006 HydrophobicContact CE1-CD2 3.98Å; Y758-L1006 HydrophobicContact CE2-CD1 3.89Å; Y758-L1006 HydrophobicContact CE2-CD2 4.4Å; Y758-L1006 WeakPolarHBondContact OH-CD1 3.06Å |
| 759 | L | 65.9 | Low | 62.6 | Low | 94 Ų | 94 | 100.6 Ų | 100.6 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | trans | -80.2 | 58.4 | 172.7 | -78.6 | 174.3 | 0 | 0 | 0 | 111.8 | D756 N761 | D756-L759 HydrophobicContact CB-CB 4.03Å; D756-L759 HydrophobicContact CB-CD1 4.04Å; D756-L759 HydrophobicContact CB-CG 4.22Å; D756-L759 PolarHBondContact O-N 2.98Å; D756-L759 PolarHBondContact OD1-N 3.16Å; D756-L759 VanDerWaalsContact OD2-CD1 3.28Å; D756-L759 WeakPolarHBondContact OD2-CD1 3.24Å; D756-L759 WeakPolarHBondContact OD2-CG 3.37Å; L759-N761 PolarHBondContact O-N 3.44Å | ||
| 760 | G | 49.3 | Very low | 61.5 | Low | 54 Ų | 54 | 107 Ų | 107 | 56% | 0.557 | 55% | 0.547 | S | S | * | . | trans | -69.5 | 92.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y758 E762 | Y758-G760 PolarHBondContact O-N 3.16Å; G760-E762 PolarHBondContact O-N 2.85Å | ||
| 761 | N | 44.7 | Very low | 60.5 | Low | 162 Ų | 162 | 107 Ų | 107 | 87% | 0.866 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 59.9 | -18.4 | 173 | -71.6 | -23.4 | 0 | 0 | 0 | 118 | L759 N763 | L759-N761 PolarHBondContact O-N 3.44Å; N761-N763 PolarHBondContact O-N 2.88Å |
| 762 | E | 38.8 | Very low | 59.9 | Low | 167 Ų | 167 | 106.5 Ų | 106.5 | 78% | 0.78 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 86.6 | -175.8 | -66.2 | -176.1 | 173.8 | 0 | 0 | 111.8 | G760 | G760-E762 PolarHBondContact O-N 2.85Š|
| 763 | N | 36.5 | Very low | 59.8 | Low | 144 Ų | 144 | 110.3 Ų | 110.3 | 77% | 0.77 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.7 | -5.7 | 149.7 | -95 | -39.6 | 0 | 0 | 0 | 114.8 | N761 Q765 | N761-N763 PolarHBondContact O-N 2.88Å; N763-Q765 PolarHBondContact O-N 2.9Å |
| 764 | D | 38.2 | Very low | 59.9 | Low | 99 Ų | 99 | 106.5 Ų | 106.5 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | trans | -76.7 | 39.7 | -166 | -128.9 | -1.6 | 0 | 0 | 0 | 115.4 | M766 R840 | D764-M766 PolarHBondContact O-N 2.66Å; D764-R840 IonicContact OD1-NH1 3.7Å; D764-R840 PolarHBondContact OD1-NH1 3.08Å; D764-R840 IonicContact OD2-CZ 2.61Å; D764-R840 IonicContact OD2-NH1 3.86Å; D764-R840 PolarHBondContact OD2-NH1 2.89Å | ||
| 765 | Q | 33.1 | Very low | 59.8 | Low | 198 Ų | 198 | 106.7 Ų | 106.7 | 93% | 0.925 | 54% | 0.543 | S | S | * | . | trans | -79.1 | 50.3 | 174.8 | -73 | -161.4 | -17.6 | 0 | 0 | 113.2 | N763 | N763-Q765 PolarHBondContact O-N 2.9Š| ||
| 766 | M | 33.1 | Very low | 59.9 | Low | 152 Ų | 152 | 107.8 Ų | 107.8 | 75% | 0.749 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -142.8 | 122.3 | 166.7 | -98.4 | -171.4 | 171.6 | 0 | 0 | 113.7 | D764 | D764-M766 PolarHBondContact O-N 2.66Š|
| 767 | N | 34.8 | Very low | 60.2 | Low | 126 Ų | 126 | 107 Ų | 107 | 67% | 0.674 | 55% | 0.546 | S | S | * | . | trans | 47.8 | 90.5 | 154.9 | -61.9 | -6.4 | 0 | 0 | 0 | 119.3 | T769 | N767-T769 VanDerWaalsContact C-N 3.3Å; N767-T769 PolarHBondContact O-N 3.49Å | ||
| 768 | Q | 41.5 | Very low | 60.7 | Low | 204 Ų | 204 | 104.2 Ų | 104.2 | 95% | 0.953 | 54% | 0.536 | S | S | * | . | S | Bend | 50 | -3.9 | 125.5 | -75.8 | -174.9 | -18.2 | 0 | 0 | 123.4 | |||
| 769 | T | 49.9 | Very low | 61.6 | Low | 67 Ų | 67 | 99.4 Ų | 99.4 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | trans | -107.4 | 127.8 | 176.4 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | N767 S771 R840 | N767-T769 VanDerWaalsContact C-N 3.3Å; N767-T769 PolarHBondContact O-N 3.49Å; T769-S771 PolarHBondContact O-N 2.76Å; T769-S771 VanDerWaalsContact O-N 3.14Å; T769-S771 PolarHBondContact OG1-O 2.69Å; T769-R840 PolarHBondContact O-NE 3.26Å; T769-R840 PolarHBondContact O-NH2 2.81Å | ||
| 770 | N | 62 | Low | 62.8 | Low | 148 Ų | 148 | 99.5 Ų | 99.5 | 79% | 0.791 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -70.8 | -0.7 | 174.8 | -75.1 | -23.2 | 0 | 0 | 0 | 114 | R840 | N770-R840 PolarHBondContact O-N 3.43Å; N770-R840 VanDerWaalsContact O-N 3.09Å |
| 771 | S | 69.5 | Low | 64.9 | Low | 33 Ų | 33 | 98 Ų | 98 | 23% | 0.231 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.9 | 179.1 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | T769 L838 | T769-S771 PolarHBondContact O-N 2.76Å; T769-S771 VanDerWaalsContact O-N 3.14Å; T769-S771 PolarHBondContact OG1-O 2.69Å; S771-L838 CarbonylContact C-O 3.51Å; S771-L838 WeakPolarHBondContact CA-O 3.17Å; S771-L838 VanDerWaalsContact CB-O 3.28Å; S771-L838 WeakPolarHBondContact CB-O 3.34Å |
| 772 | Y | 75.8 | Confident | 67.1 | Low | 83 Ų | 83 | 95.4 Ų | 95.4 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.5 | 161.7 | -77.6 | -74.1 | 0 | 0 | 0 | 109.1 | S837 L838 R840 H843 | Y772-S837 CarbonylContact O-C 3.59Å; Y772-S837 WeakPolarHBondContact O-CA 3.48Å; Y772-S837 WeakPolarHBondContact O-CB 3.39Å; Y772-L838 PolarHBondContact N-O 2.67Å; Y772-L838 PolarHBondContact O-N 3.41Å; Y772-R840 HydrophobicContact CD2-CB 4.48Å; Y772-R840 HydrophobicContact CD2-CG 3.9Å; Y772-R840 HydrophobicContact CE2-CB 4.33Å; Y772-R840 HydrophobicContact CE2-CG 3.85Å; Y772-H843 HydrophobicContact CD2-CB 4.33Å; Y772-H843 AromaticContact CD2-ND1 3.93Å; Y772-H843 HydrophobicContact CE2-CB 4.15Å; Y772-H843 AromaticContact CE2-CG 3.93Å; Y772-H843 AromaticContact CE2-ND1 3.28Å; Y772-H843 VanDerWaalsContact CE2-ND1 3.28Å; Y772-H843 WeakPolarHBondContact CE2-ND1 3.16Å; Y772-H843 AromaticContact CZ-ND1 3.8Å |
| 773 | I | 87.2 | Confident | 69.7 | Low | 96 Ų | 96 | 87.9 Ų | 87.9 | 49% | 0.492 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.9 | 172.4 | -67.3 | 172.1 | 0 | 0 | 0 | 108.1 | L835 | I773-L835 HydrophobicContact CB-CD1 4.49Å; I773-L835 HydrophobicContact CG1-CD1 4.26Å; I773-L835 HydrophobicContact CG2-CD1 3.7Å |
| 774 | I | 88.9 | Confident | 72.4 | Confident | 20 Ų | 20 | 87.7 Ų | 87.7 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -38.6 | 177.8 | -62.6 | 177.2 | 0 | 0 | 0 | 110.3 | F750 I752 F827 I836 L838 I877 | F750-I774 HydrophobicContact CB-CG2 3.6Å; F750-I774 HydrophobicContact CD2-CG2 4.49Å; F750-I774 HydrophobicContact CG-CG2 3.99Å; I752-I774 HydrophobicContact CD1-CD1 3.93Å; I752-I774 HydrophobicContact CD1-CG1 4.12Å; I774-F827 HydrophobicContact CD1-CD1 3.46Å; I774-F827 VanDerWaalsContact CD1-CD1 3.46Å; I774-F827 HydrophobicContact CD1-CE1 3.5Å; I774-I836 HydrophobicContact CB-CB 4.41Å; I774-I836 HydrophobicContact CB-CG2 4.13Å; I774-I836 HydrophobicContact CD1-CG2 4.18Å; I774-I836 HydrophobicContact CG2-CG2 4.47Å; I774-I836 PolarHBondContact N-O 3.21Å; I774-L838 HydrophobicContact CD1-CB 4.19Å; I774-I877 HydrophobicContact CD1-CD1 4.31Å; I774-I877 HydrophobicContact CG2-CD1 4.23Å; I774-I877 HydrophobicContact CG2-CG2 4.47Å |
| 775 | G | 85.8 | Confident | 74.9 | Confident | 12 Ų | 12 | 85 Ų | 85 | 12% | 0.124 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -177.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I836 | G775-I836 PolarHBondContact N-O 2.73Å; G775-I836 PolarHBondContact O-N 3.27Å |
| 776 | F | 90.1 | Very high | 77.6 | Confident | 122 Ų | 122 | 81 Ų | 81 | 54% | 0.535 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.8 | 177.8 | -67.5 | -96.8 | 0 | 0 | 0 | 110.2 | L835 | F776-L835 HydrophobicContact CD1-CB 3.89Å; F776-L835 HydrophobicContact CD1-CD1 4.17Å; F776-L835 HydrophobicContact CD2-CD1 4.41Å; F776-L835 HydrophobicContact CE1-CB 3.79Å; F776-L835 HydrophobicContact CE1-CD1 3.85Å; F776-L835 HydrophobicContact CE1-CD2 4.31Å; F776-L835 HydrophobicContact CE1-CG 4.18Å; F776-L835 HydrophobicContact CE2-CD1 4.09Å; F776-L835 HydrophobicContact CG-CD1 4.45Å; F776-L835 HydrophobicContact CZ-CD1 3.8Å; F776-L835 HydrophobicContact CZ-CD2 4.48Å |
| 777 | L | 90.2 | Very high | 80.3 | Confident | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | trans | -76.7 | 133.2 | 164.6 | -62.6 | 169.5 | 0 | 0 | 0 | 109.5 | L741 I745 F750 Y792 I829 G834 I836 I858 I875 | L741-L777 HydrophobicContact CD1-CD2 4.24Å; L741-L777 HydrophobicContact CD2-CB 3.98Å; L741-L777 HydrophobicContact CD2-CD2 3.98Å; L741-L777 HydrophobicContact CD2-CG 4.46Å; I745-L777 HydrophobicContact CG2-CD2 4.07Å; F750-L777 HydrophobicContact CE2-CD2 4.35Å; L777-Y792 HydrophobicContact CB-CD1 3.99Å; L777-Y792 HydrophobicContact CB-CE1 3.7Å; L777-Y792 HydrophobicContact CD1-CD1 3.81Å; L777-Y792 HydrophobicContact CD1-CE1 4.35Å; L777-I829 HydrophobicContact CD1-CD1 3.59Å; L777-I829 HydrophobicContact CD1-CG1 4.37Å; L777-G834 WeakPolarHBondContact CB-O 3.43Å; L777-G834 WeakPolarHBondContact CG-O 3.37Å; L777-G834 PolarHBondContact N-O 3.23Å; L777-I836 HydrophobicContact CD1-CD1 4.14Å; L777-I836 HydrophobicContact CD1-CG1 4.33Å; L777-I836 HydrophobicContact CD2-CD1 3.96Å; L777-I836 HydrophobicContact CG-CD1 3.88Å; L777-I836 HydrophobicContact CG-CG1 4.2Å; L777-I858 HydrophobicContact CD1-CD1 3.59Å; L777-I858 HydrophobicContact CD1-CG1 4.18Å; L777-I858 HydrophobicContact CD1-CG2 4.15Å; L777-I858 HydrophobicContact CD2-CD1 3.75Å; L777-I858 HydrophobicContact CG-CD1 4.31Å; L777-I875 HydrophobicContact CD2-CD1 4.19Å; L777-I875 HydrophobicContact CD2-CG2 4.27Å | ||
| 778 | N | 87.1 | Confident | 82.9 | Confident | 89 Ų | 89 | 70 Ų | 70 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | trans | -117.3 | 113 | 169.4 | -174.8 | 4.5 | 0 | 0 | 0 | 107.9 | N742 I745 | N742-N778 PolarHBondContact N-O 3.16Å; I745-N778 HydrophobicContact CD1-CB 4Å; I745-N778 VanDerWaalsContact CD1-N 3.31Å | ||
| 779 | A | 90.9 | Very high | 85.3 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 150.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K740 L741 I790 Y792 L860 | K740-A779 CarbonylContact O-C 3.55Å; K740-A779 WeakPolarHBondContact O-CA 3.15Å; L741-A779 HydrophobicContact CD2-CB 4.12Å; A779-I790 VanDerWaalsContact C-CD1 3.45Å; A779-I790 HydrophobicContact CB-CD1 3.47Å; A779-I790 VanDerWaalsContact CB-CD1 3.47Å; A779-I790 HydrophobicContact CB-CG2 4.11Å; A779-I790 WeakPolarHBondContact O-CD1 3.49Å; A779-Y792 HydrophobicContact CB-CE1 3.85Å; A779-Y792 WeakPolarHBondContact CB-OH 3.43Å; A779-Y792 PolarHBondContact N-OH 2.98Å; A779-Y792 VanDerWaalsContact N-OH 3.13Å; A779-L860 HydrophobicContact CB-CD1 3.54Å; A779-L860 HydrophobicContact CB-CD2 4.22Å |
| 780 | I | 90.9 | Very high | 87.3 | Confident | 97 Ų | 97 | 61.5 Ų | 61.5 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.4 | 177.4 | -58.7 | 173.2 | 0 | 0 | 0 | 107.3 | K740 L782 | K740-I780 PolarHBondContact N-O 2.83Å; K740-I780 PolarHBondContact O-N 2.98Å; I780-L782 HydrophobicContact CG2-CD2 4.47Å |
| 781 | D | 93.4 | Very high | 88.8 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | trans | -122.2 | 160.9 | 163.5 | -143.9 | -39.1 | 0 | 0 | 0 | 107.9 | P739 I790 | P739-D781 WeakPolarHBondContact CA-OD2 3.33Å; P739-D781 HydrophobicContact CB-CB 4.39Å; P739-D781 WeakPolarHBondContact CB-OD2 3.26Å; P739-D781 WeakPolarHBondContact CD-OD2 3.4Å; P739-D781 VanDerWaalsContact N-OD2 3.13Å; D781-I790 HydrophobicContact CB-CD1 4.01Å; D781-I790 HydrophobicContact CB-CG1 4.09Å | ||
| 782 | L | 92.4 | Very high | 90 | Very high | 107 Ų | 107 | 57.1 Ų | 57.1 | 56% | 0.56 | 30% | 0.302 | S | S | * | . | trans | -102.1 | -30.3 | -176.7 | -60.5 | -177.2 | 0 | 0 | 0 | 112.7 | E697 N737 I780 | E697-L782 HydrophobicContact CG-CB 4.03Å; N737-L782 HydrophobicContact CB-CB 4.17Å; I780-L782 HydrophobicContact CG2-CD2 4.47Å | ||
| 783 | D | 93.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -68.5 | 170.2 | -179.5 | -55.1 | -4.6 | 0 | 0 | 0 | 111.2 | N735 D736 N737 N787 G788 | N735-D783 VanDerWaalsContact CA-OD2 3.3Å; N735-D783 WeakPolarHBondContact CA-OD2 3.17Å; D736-D783 PolarHBondContact N-OD2 2.7Å; N737-D783 VanDerWaalsContact CB-OD1 3.24Å; N737-D783 WeakPolarHBondContact CB-OD1 3.43Å; N737-D783 PolarHBondContact N-OD1 3.2Å; N737-D783 PolarHBondContact N-OD2 2.77Å; N737-D783 PolarHBondContact ND2-OD1 2.67Å; D783-N787 HydrophobicContact CB-CB 3.5Å; D783-N787 VanDerWaalsContact CB-CB 3.5Å; D783-G788 WeakPolarHBondContact O-CA 3.18Å; D783-G788 PolarHBondContact O-N 2.76Å |
| 784 | F | 91.4 | Very high | 91 | Very high | 140 Ų | 140 | 52.3 Ų | 52.3 | 61% | 0.614 | 29% | 0.285 | S | S | * | . | trans | -110.6 | 149.8 | -165.7 | -171.7 | -108.5 | 0 | 0 | 0 | 115.3 | D733 L786 N787 | D733-F784 HydrophobicContact CB-CB 4.33Å; D733-F784 VanDerWaalsContact CG-N 3.3Å; D733-F784 WeakPolarHBondContact OD1-CB 3.29Å; D733-F784 PolarHBondContact OD1-N 3.14Å; D733-F784 PolarHBondContact OD2-N 3.27Å; F784-L786 PolarHBondContact O-N 3.03Å; F784-L786 VanDerWaalsContact O-N 3.1Å; F784-N787 PolarHBondContact O-N 2.93Å | ||
| 785 | G | 90.9 | Very high | 90.9 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | -116 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T789 | G785-T789 WeakPolarHBondContact O-CB 3.1Å; G785-T789 PolarHBondContact O-N 3.31Å; G785-T789 PolarHBondContact O-OG1 2.96Å |
| 786 | L | 90.3 | Very high | 90.9 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 61% | 0.607 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -33.8 | -179.1 | -70.7 | 177.2 | 0 | 0 | 0 | 113.1 | F784 T789 M863 G864 | F784-L786 PolarHBondContact O-N 3.03Å; F784-L786 VanDerWaalsContact O-N 3.1Å; L786-T789 PolarHBondContact O-N 3.39Å; L786-M863 HydrophobicContact CD2-CB 4.29Å; L786-M863 CarbonylContact O-C 3.55Å; L786-M863 VanDerWaalsContact O-CA 3.28Å; L786-M863 WeakPolarHBondContact O-CA 3.33Å; L786-M863 WeakPolarHBondContact O-CB 3.45Å; L786-M863 PolarHBondContact O-N 2.9Å; L786-M863 VanDerWaalsContact O-N 3.08Å; L786-G864 PolarHBondContact O-N 3.28Å |
| 787 | N | 90.2 | Very high | 90.7 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -47.8 | 174.6 | -64.4 | -9.2 | 0 | 0 | 0 | 109 | D733 N735 D783 F784 T789 D862 G864 | D733-N787 WeakPolarHBondContact OD2-CB 3.13Å; D733-N787 PolarHBondContact OD2-ND2 2.74Å; N735-N787 HydrophobicContact CB-CB 4.23Å; N735-N787 PolarHBondContact N-ND2 2.7Å; N735-N787 WeakPolarHBondContact OD1-CA 3.23Å; N735-N787 WeakPolarHBondContact OD1-CB 3.21Å; N735-N787 PolarHBondContact OD1-OD1 3.33Å; D783-N787 HydrophobicContact CB-CB 3.5Å; D783-N787 VanDerWaalsContact CB-CB 3.5Å; F784-N787 PolarHBondContact O-N 2.93Å; N787-T789 VanDerWaalsContact C-N 3.26Å; N787-T789 PolarHBondContact O-N 3.47Å; N787-T789 VanDerWaalsContact O-N 3.13Å; N787-D862 VanDerWaalsContact O-CB 3.27Å; N787-D862 WeakPolarHBondContact O-CB 3.26Å; N787-G864 WeakPolarHBondContact OD1-CA 3.24Å |
| 788 | G | 88.7 | Confident | 90.5 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 1.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | D783 | D783-G788 WeakPolarHBondContact O-CA 3.18Å; D783-G788 PolarHBondContact O-N 2.76Å |
| 789 | T | 92.2 | Very high | 90.4 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | trans | -94.7 | 107.4 | -172.9 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | G785 L786 N787 D862 M863 | G785-T789 WeakPolarHBondContact O-CB 3.1Å; G785-T789 PolarHBondContact O-N 3.31Å; G785-T789 PolarHBondContact O-OG1 2.96Å; L786-T789 PolarHBondContact O-N 3.39Å; N787-T789 VanDerWaalsContact C-N 3.26Å; N787-T789 PolarHBondContact O-N 3.47Å; N787-T789 VanDerWaalsContact O-N 3.13Å; T789-D862 CarbonylContact O-C 3.49Å; T789-D862 WeakPolarHBondContact O-CA 3.25Å; T789-M863 HydrophobicContact CG2-CB 4.24Å; T789-M863 HydrophobicContact CG2-CG 3.91Å; T789-M863 WeakPolarHBondContact O-CG 3.38Å; T789-M863 PolarHBondContact O-N 2.93Å | ||
| 790 | I | 92.1 | Very high | 89.5 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | trans | -91.4 | 140 | -170.9 | -43.7 | 175.7 | 0 | 0 | 0 | 112.7 | P739 A779 D781 L860 | P739-I790 HydrophobicContact CB-CD1 3.89Å; P739-I790 HydrophobicContact CB-CG1 3.95Å; P739-I790 HydrophobicContact CB-CG2 3.88Å; P739-I790 HydrophobicContact CG-CG2 4.47Å; A779-I790 VanDerWaalsContact C-CD1 3.45Å; A779-I790 HydrophobicContact CB-CD1 3.47Å; A779-I790 VanDerWaalsContact CB-CD1 3.47Å; A779-I790 HydrophobicContact CB-CG2 4.11Å; A779-I790 WeakPolarHBondContact O-CD1 3.49Å; D781-I790 HydrophobicContact CB-CD1 4.01Å; D781-I790 HydrophobicContact CB-CG1 4.09Å; I790-L860 HydrophobicContact CG2-CB 4.04Å; I790-L860 HydrophobicContact CG2-CD1 4.47Å; I790-L860 HydrophobicContact CG2-CD2 4.16Å; I790-L860 HydrophobicContact CG2-CG 4.46Å | ||
| 791 | K | 93.3 | Very high | 87.9 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.7 | 174.6 | 174.1 | -178.6 | 152.1 | -148.2 | 0 | 110.9 | S831 E861 M863 | K791-S831 WeakPolarHBondContact CA-O 3.32Å; K791-E861 WeakPolarHBondContact CB-O 3.5Å; K791-E861 PolarHBondContact N-O 2.78Å; K791-E861 IonicContact NZ-OE1 3.78Å; K791-E861 PolarHBondContact NZ-OE1 2.85Å; K791-E861 IonicContact NZ-OE2 2.72Å; K791-E861 PolarHBondContact O-N 3.09Å; K791-M863 HydrophobicContact CD-SD 4.32Å |
| 792 | Y | 94.5 | Very high | 85.8 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 140.1 | -175.4 | -55.5 | -93.2 | 0 | 0 | 0 | 111.9 | L741 L777 A779 S831 L860 | L741-Y792 HydrophobicContact CD2-CE1 4.4Å; L777-Y792 HydrophobicContact CB-CD1 3.99Å; L777-Y792 HydrophobicContact CB-CE1 3.7Å; L777-Y792 HydrophobicContact CD1-CD1 3.81Å; L777-Y792 HydrophobicContact CD1-CE1 4.35Å; A779-Y792 HydrophobicContact CB-CE1 3.85Å; A779-Y792 WeakPolarHBondContact CB-OH 3.43Å; A779-Y792 PolarHBondContact N-OH 2.98Å; A779-Y792 VanDerWaalsContact N-OH 3.13Å; Y792-S831 PolarHBondContact N-O 2.74Å; Y792-S831 WeakPolarHBondContact O-CA 3.23Å; Y792-S831 WeakPolarHBondContact O-CB 3.42Å; Y792-L860 HydrophobicContact CD1-CD2 3.35Å; Y792-L860 HydrophobicContact CE1-CD2 3.6Å; Y792-L860 HydrophobicContact CG-CD2 4.27Å |
| 793 | T | 93.2 | Very high | 83 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 129.3 | 174.9 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | A795 I858 I859 | T793-A795 PolarHBondContact O-N 2.9Å; T793-I858 WeakPolarHBondContact O-CA 3.38Å; T793-I859 PolarHBondContact N-O 3.07Å; T793-I859 PolarHBondContact O-N 2.61Å |
| 794 | L | 90.9 | Very high | 80.4 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 112.6 | 177 | -179.9 | 64.9 | 0 | 0 | 0 | 111.3 | I797 I829 L856 | L794-I797 HydrophobicContact CD1-CG1 4.25Å; L794-I797 HydrophobicContact CD2-CD1 3.97Å; L794-I797 HydrophobicContact CD2-CG1 4.42Å; L794-I829 HydrophobicContact CB-CG2 3.74Å; L794-L856 HydrophobicContact CD1-CB 4.06Å; L794-L856 HydrophobicContact CD1-CD2 4.21Å; L794-L856 HydrophobicContact CD1-CG 3.96Å |
| 795 | A | 86.9 | Confident | 77.4 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 17% | 0.174 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -44.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T793 R824 Q857 I859 | T793-A795 PolarHBondContact O-N 2.9Å; A795-R824 VanDerWaalsContact O-CZ 3.29Å; A795-R824 PolarHBondContact O-NE 3.07Å; A795-R824 PolarHBondContact O-NH2 2.7Å; A795-Q857 HydrophobicContact CB-CB 4.24Å; A795-Q857 WeakPolarHBondContact CB-O 2.98Å; A795-Q857 PolarHBondContact N-O 3.36Å; A795-I859 HydrophobicContact CB-CD1 3.76Å; A795-I859 HydrophobicContact CB-CG1 3.92Å |
| 796 | Q | 85.1 | Confident | 74.7 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 150.7 | -180 | -171.6 | 162.7 | -54.9 | 0 | 0 | 111.6 | T798 Q857 | Q796-T798 HydrophobicContact CG-CG2 4.34Å; Q796-T798 VanDerWaalsContact NE2-CG2 3.33Å; Q796-Q857 HydrophobicContact CB-CB 4.18Å; Q796-Q857 PolarHBondContact N-O 2.81Å; Q796-Q857 PolarHBondContact O-N 2.75Å |
| 797 | I | 87.7 | Confident | 71.9 | Confident | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.6 | 163.1 | -69.9 | 161.6 | 0 | 0 | 0 | 107.9 | L794 L823 F827 Y854 H855 L856 | L794-I797 HydrophobicContact CD1-CG1 4.25Å; L794-I797 HydrophobicContact CD2-CD1 3.97Å; L794-I797 HydrophobicContact CD2-CG1 4.42Å; I797-L823 HydrophobicContact CB-CB 4.21Å; I797-L823 WeakPolarHBondContact CD1-O 3.42Å; I797-L823 HydrophobicContact CG2-CB 4.08Å; I797-L823 HydrophobicContact CG2-CD2 4.43Å; I797-F827 HydrophobicContact CD1-CD2 3.72Å; I797-F827 HydrophobicContact CG1-CD2 4.48Å; I797-Y854 HydrophobicContact CG2-CD1 4.08Å; I797-H855 WeakPolarHBondContact CA-O 3.39Å; I797-L856 HydrophobicContact CG1-CD1 4.05Å; I797-L856 HydrophobicContact CG1-CG 3.91Å |
| 798 | T | 85.8 | Confident | 68.9 | Low | 53 Ų | 53 | 84.2 Ų | 84.2 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 161.6 | 166.9 | 42.5 | 0 | 0 | 0 | 0 | 109.4 | Q796 H855 | Q796-T798 HydrophobicContact CG-CG2 4.34Å; Q796-T798 VanDerWaalsContact NE2-CG2 3.33Å; T798-H855 PolarHBondContact N-O 3.26Å; T798-H855 PolarHBondContact O-N 2.76Å; T798-H855 WeakPolarHBondContact OG1-CB 3.33Å |
| 799 | T | 84 | Confident | 66 | Low | 49 Ų | 49 | 89.4 Ų | 89.4 | 30% | 0.301 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.7 | -175.5 | 54 | 0 | 0 | 0 | 0 | 110.9 | L823 V851 T853 Y854 | T799-L823 HydrophobicContact CG2-CD1 4.48Å; T799-L823 HydrophobicContact CG2-CD2 4.18Å; T799-V851 HydrophobicContact CG2-CG1 3.73Å; T799-V851 HydrophobicContact CG2-CG2 4Å; T799-T853 WeakPolarHBondContact CA-O 3.24Å; T799-Y854 HydrophobicContact CG2-CD1 3.57Å; T799-Y854 HydrophobicContact CG2-CE1 3.8Å; T799-Y854 HydrophobicContact CG2-CG 4.47Å |
| 800 | E | 73.3 | Confident | 63 | Low | 94 Ų | 94 | 98.5 Ų | 98.5 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 123.6 | 161.2 | -68.6 | -176.2 | 141 | 0 | 0 | 107.9 | T853 H855 | E800-T853 PolarHBondContact N-O 3.22Å; E800-T853 WeakPolarHBondContact OE2-CB 3.33Å; E800-T853 PolarHBondContact OE2-OG1 2.68Å; E800-H855 IonicContact OE1-CE1 3.77Å |
| 801 | K | 57.1 | Low | 59.9 | Low | 160 Ų | 160 | 104.7 Ų | 104.7 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | trans | -112.7 | 120.4 | -175.2 | -175.6 | 165.7 | -172.2 | 162.1 | 0 | 110.1 | ||||
| 802 | Y | 47.8 | Very low | 56.8 | Low | 168 Ų | 168 | 109.3 Ų | 109.3 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | trans | -67.5 | 134 | 178.2 | -152.5 | -112.2 | 0 | 0 | 0 | 110.9 | S804 | Y802-S804 WeakPolarHBondContact CD1-OG 3.39Å; Y802-S804 WeakPolarHBondContact CE1-OG 3.34Å | ||
| 803 | I | 35.1 | Very low | 53.7 | Low | 164 Ų | 164 | 114.2 Ų | 114.2 | 84% | 0.841 | 57% | 0.566 | S | S | * | * | trans | -120.8 | 84.2 | 178.3 | -54.5 | 180 | 0 | 0 | 0 | 108.6 | ||||
| 804 | S | 37.4 | Very low | 50.6 | Low | 88 Ų | 88 | 118 Ų | 118 | 62% | 0.615 | 58% | 0.584 | S | S | * | * | trans | -119.4 | 123.5 | 168.4 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | Y802 | Y802-S804 WeakPolarHBondContact CD1-OG 3.39Å; Y802-S804 WeakPolarHBondContact CE1-OG 3.34Å | ||
| 805 | S | 29.9 | Very low | 47.7 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 81% | 0.811 | 62% | 0.62 | S | S | * | * | trans | -80.3 | 120.9 | -176.2 | 54.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 806 | I | 34.4 | Very low | 45 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | trans | -159.5 | 141.9 | 143.5 | -101 | 146.3 | 0 | 0 | 0 | 108.7 | ||||
| 807 | N | 29.6 | Very low | 42.8 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | trans | -93.3 | 125.9 | -178.5 | -77.1 | -67.7 | 0 | 0 | 0 | 111.7 | ||||
| 808 | K | 29.1 | Very low | 40.5 | Very low | 193 Ų | 193 | 139 Ų | 139 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | -177.7 | 121.1 | 126.2 | -100.6 | 160.3 | -175.9 | 178.9 | 0 | 114.1 | |||||
| 809 | T | 26.8 | Very low | 38.8 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | 49.4 | 87.3 | 145.9 | 54.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 810 | R | 28.5 | Very low | 37.1 | Very low | 257 Ų | 257 | 141.1 Ų | 141.1 | 97% | 0.97 | 69% | 0.694 | S | S | * | * | -151.3 | 179.9 | 121.5 | -104.7 | 167.3 | -165.8 | -162.7 | 4.9 | 109.1 | |||||
| 811 | Q | 27.4 | Very low | 36 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -99.1 | 162.8 | -161.3 | -67.6 | 172.9 | -37.1 | 0 | 0 | 113.9 | ||||
| 812 | F | 27.7 | Very low | 36.2 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | trans | 68.9 | 149.5 | 177.4 | -40.8 | -80 | 0 | 0 | 0 | 114 | ||||
| 813 | F | 29.9 | Very low | 37.1 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 53% | 0.526 | 68% | 0.675 | S | S | . | * | cis | -115.4 | 160.6 | -1.5 | -82.4 | -92.6 | 0 | 0 | 0 | 112.1 | D819 K822 | F813-D819 WeakPolarHBondContact CD1-OD1 3.32Å; F813-K822 HydrophobicContact CE1-CD 4.26Å; F813-K822 VanDerWaalsContact CE1-NZ 3.3Å; F813-K822 VanDerWaalsContact CZ-NZ 3.29Å | ||
| 814 | N | 28.2 | Very low | 38.5 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | trans | -127.5 | 108.9 | -172.8 | -167.8 | 17.6 | 0 | 0 | 0 | 111.1 | N816 | N814-N816 PolarHBondContact O-N 2.75Å; N814-N816 PolarHBondContact O-ND2 2.82Å | ||
| 815 | Q | 30.2 | Very low | 40.2 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 86% | 0.86 | 65% | 0.647 | S | S | * | * | trans | -40.1 | 100.6 | -166.2 | -67.5 | 176.9 | -49.7 | 0 | 0 | 114.5 | ||||
| 816 | N | 30.9 | Very low | 42.8 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -149.4 | 163.5 | 172.1 | -76.3 | -85.7 | 0 | 0 | 0 | 109.7 | N814 D818 D819 | N814-N816 PolarHBondContact O-N 2.75Å; N814-N816 PolarHBondContact O-ND2 2.82Å; N816-D818 PolarHBondContact O-N 2.91Å; N816-D819 PolarHBondContact O-N 2.82Å |
| 817 | N | 37.8 | Very low | 45.4 | Very low | 146 Ų | 146 | 119.3 Ų | 119.3 | 78% | 0.781 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -10.2 | -172.2 | -64.1 | 6.9 | 0 | 0 | 0 | 115.7 | D819 | N817-D819 VanDerWaalsContact C-N 3.27Å; N817-D819 PolarHBondContact O-N 2.04Å |
| 818 | D | 40.8 | Very low | 48.2 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.6 | -17.2 | 178.6 | -58.8 | -44.9 | 0 | 0 | 0 | 113.1 | N816 | N816-D818 PolarHBondContact O-N 2.91Å |
| 819 | D | 49.1 | Very low | 51.2 | Low | 52 Ų | 52 | 110.1 Ų | 110.1 | 28% | 0.278 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.4 | -30.8 | -178.6 | -68.8 | -32.5 | 0 | 0 | 0 | 112.9 | F813 N816 N817 K822 L823 | F813-D819 WeakPolarHBondContact CD1-OD1 3.32Å; N816-D819 PolarHBondContact O-N 2.82Å; N817-D819 VanDerWaalsContact C-N 3.27Å; N817-D819 PolarHBondContact O-N 2.04Å; D819-K822 PolarHBondContact O-N 2.98Å; D819-L823 PolarHBondContact O-N 2.77Å |
| 820 | H | 47.9 | Very low | 54.2 | Low | 94 Ų | 94 | 106.9 Ų | 106.9 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | -179.6 | -91.1 | -60.5 | 0 | 0 | 0 | 113.2 | K822 L823 R824 | H820-K822 VanDerWaalsContact C-N 3.3Å; H820-K822 PolarHBondContact O-N 2.92Å; H820-L823 PolarHBondContact O-N 3.1Å; H820-R824 WeakPolarHBondContact O-CB 3.09Å; H820-R824 PolarHBondContact O-N 2.95Å |
| 821 | D | 50.6 | Low | 57.2 | Low | 120 Ų | 120 | 97.3 Ų | 97.3 | 64% | 0.642 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.6 | -31.2 | 177.9 | -82.5 | -13.9 | 0 | 0 | 0 | 111.6 | S825 | D821-S825 PolarHBondContact O-N 3.01Å |
| 822 | K | 61.8 | Low | 60.2 | Low | 121 Ų | 121 | 95.1 Ų | 95.1 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -52.1 | 172.5 | -76 | -168.9 | 170 | -160.3 | 0 | 111.5 | F813 D819 H820 S825 | F813-K822 HydrophobicContact CE1-CD 4.26Å; F813-K822 VanDerWaalsContact CE1-NZ 3.3Å; F813-K822 VanDerWaalsContact CZ-NZ 3.29Å; D819-K822 PolarHBondContact O-N 2.98Å; H820-K822 VanDerWaalsContact C-N 3.3Å; H820-K822 PolarHBondContact O-N 2.92Å; K822-S825 WeakPolarHBondContact O-CB 3.25Å; K822-S825 PolarHBondContact O-N 2.7Å; K822-S825 VanDerWaalsContact O-N 3.08Å; K822-S825 PolarHBondContact O-OG 3.41Å |
| 823 | L | 66.9 | Low | 63.1 | Low | 43 Ų | 43 | 89.5 Ų | 89.5 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 178.2 | -72 | 171.9 | 0 | 0 | 0 | 111.6 | I797 T799 D819 H820 S825 L826 Y854 | I797-L823 HydrophobicContact CB-CB 4.21Å; I797-L823 WeakPolarHBondContact CD1-O 3.42Å; I797-L823 HydrophobicContact CG2-CB 4.08Å; I797-L823 HydrophobicContact CG2-CD2 4.43Å; T799-L823 HydrophobicContact CG2-CD1 4.48Å; T799-L823 HydrophobicContact CG2-CD2 4.18Å; D819-L823 PolarHBondContact O-N 2.77Å; H820-L823 PolarHBondContact O-N 3.1Å; L823-S825 PolarHBondContact O-N 3.5Å; L823-L826 VanDerWaalsContact O-CB 3.24Å; L823-L826 WeakPolarHBondContact O-CB 3.13Å; L823-L826 PolarHBondContact O-N 3.45Å; L823-Y854 HydrophobicContact CD2-CE1 4.33Å |
| 824 | R | 63.7 | Low | 66 | Low | 128 Ų | 128 | 83.8 Ų | 83.8 | 48% | 0.483 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.5 | -17.9 | 174.2 | -97 | 175.7 | 156.4 | -105.3 | 6.7 | 114.6 | A795 H820 | A795-R824 VanDerWaalsContact O-CZ 3.29Å; A795-R824 PolarHBondContact O-NE 3.07Å; A795-R824 PolarHBondContact O-NH2 2.7Å; H820-R824 WeakPolarHBondContact O-CB 3.09Å; H820-R824 PolarHBondContact O-N 2.95Å |
| 825 | S | 73.4 | Confident | 69 | Low | 54 Ų | 54 | 79.3 Ų | 79.3 | 38% | 0.378 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10.1 | 177.3 | 87 | 0 | 0 | 0 | 0 | 114.2 | D821 K822 L823 K842 | D821-S825 PolarHBondContact O-N 3.01Å; K822-S825 WeakPolarHBondContact O-CB 3.25Å; K822-S825 PolarHBondContact O-N 2.7Å; K822-S825 VanDerWaalsContact O-N 3.08Å; K822-S825 PolarHBondContact O-OG 3.41Å; L823-S825 PolarHBondContact O-N 3.5Å; S825-K842 PolarHBondContact O-NZ 2.9Å; S825-K842 PolarHBondContact OG-NZ 2.84Å |
| 826 | L | 83.5 | Confident | 72 | Confident | 11 Ų | 11 | 70.6 Ų | 70.6 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -60 | -169.7 | -173 | 61.9 | 0 | 0 | 0 | 111.1 | L823 L838 K842 L845 I846 Y854 | L823-L826 VanDerWaalsContact O-CB 3.24Å; L823-L826 WeakPolarHBondContact O-CB 3.13Å; L823-L826 PolarHBondContact O-N 3.45Å; L826-L838 HydrophobicContact CD1-CD1 3.76Å; L826-L838 HydrophobicContact CG-CD1 4.11Å; L826-L838 WeakPolarHBondContact O-CD1 3.23Å; L826-K842 HydrophobicContact CD1-CB 4.41Å; L826-L845 HydrophobicContact CD1-CB 4.03Å; L826-L845 HydrophobicContact CD1-CD1 4.39Å; L826-I846 HydrophobicContact CD1-CD1 4.06Å; L826-I846 HydrophobicContact CD2-CD1 3.81Å; L826-I846 HydrophobicContact CG-CD1 4.15Å; L826-Y854 HydrophobicContact CD2-CD1 4.29Å; L826-Y854 HydrophobicContact CD2-CE1 3.56Å |
| 827 | F | 89.5 | Confident | 74.9 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 2% | 0.022 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 146.7 | 176.3 | -53.8 | -63 | 0 | 0 | 0 | 111.5 | I774 I797 S837 L838 I846 Y854 L856 I877 | I774-F827 HydrophobicContact CD1-CD1 3.46Å; I774-F827 VanDerWaalsContact CD1-CD1 3.46Å; I774-F827 HydrophobicContact CD1-CE1 3.5Å; I797-F827 HydrophobicContact CD1-CD2 3.72Å; I797-F827 HydrophobicContact CG1-CD2 4.48Å; F827-S837 CarbonylContact C-O 3.57Å; F827-S837 WeakPolarHBondContact CA-O 3.32Å; F827-L838 HydrophobicContact CD1-CB 4.32Å; F827-I846 HydrophobicContact CE1-CD1 4.35Å; F827-I846 HydrophobicContact CZ-CD1 4.22Å; F827-Y854 AromaticContact CE2-CD1 3.83Å; F827-Y854 HydrophobicContact CE2-CD1 3.83Å; F827-Y854 HydrophobicContact CE2-CD2 4.13Å; F827-Y854 HydrophobicContact CE2-CE1 4.39Å; F827-Y854 AromaticContact CE2-CG 3.7Å; F827-Y854 HydrophobicContact CE2-CG 3.7Å; F827-Y854 HydrophobicContact CZ-CD1 4.31Å; F827-Y854 AromaticContact CZ-CD2 3.89Å; F827-Y854 HydrophobicContact CZ-CD2 3.89Å; F827-Y854 HydrophobicContact CZ-CE2 4.19Å; F827-Y854 AromaticContact CZ-CG 3.95Å; F827-Y854 HydrophobicContact CZ-CG 3.95Å; F827-L856 HydrophobicContact CB-CD2 4.34Å; F827-L856 HydrophobicContact CD2-CD1 3.86Å; F827-L856 HydrophobicContact CD2-CD2 4.07Å; F827-L856 HydrophobicContact CD2-CG 4.31Å; F827-L856 HydrophobicContact CE2-CD1 3.98Å; F827-L856 HydrophobicContact CG-CD2 4.37Å; F827-I877 HydrophobicContact CD1-CD1 4.47Å; F827-I877 HydrophobicContact CD2-CD1 4.4Å; F827-I877 HydrophobicContact CE1-CD1 4.31Å; F827-I877 HydrophobicContact CE2-CD1 4.24Å; F827-I877 HydrophobicContact CZ-CD1 4.2Å |
| 828 | Q | 88.8 | Confident | 77.3 | Confident | 112 Ų | 112 | 59.4 Ų | 59.4 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 145.7 | 171.4 | -63.2 | -178.3 | 1.7 | 0 | 0 | 109.2 | I836 S837 | Q828-I836 WeakPolarHBondContact O-CA 3.34Å; Q828-S837 PolarHBondContact N-O 2.91Å; Q828-S837 PolarHBondContact O-N 3.02Å |
| 829 | I | 91.2 | Very high | 79.3 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.2 | 175.6 | -168.8 | 171.3 | 0 | 0 | 0 | 108.3 | L777 L794 L835 I858 | L777-I829 HydrophobicContact CD1-CD1 3.59Å; L777-I829 HydrophobicContact CD1-CG1 4.37Å; L794-I829 HydrophobicContact CB-CG2 3.74Å; I829-L835 CarbonylContact C-O 3.56Å; I829-L835 WeakPolarHBondContact CA-O 3.21Å; I829-I858 HydrophobicContact CD1-CG1 4.34Å; I829-I858 HydrophobicContact CD1-CG2 4.25Å |
| 830 | D | 90.7 | Very high | 80.6 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | trans | -80 | 131 | 167.5 | -179.6 | -102 | 0 | 0 | 0 | 110.2 | T832 S833 G834 L835 | D830-T832 VanDerWaalsContact C-N 3.27Å; D830-T832 PolarHBondContact O-N 3.5Å; D830-T832 PolarHBondContact OD1-N 2.72Å; D830-T832 PolarHBondContact OD1-OG1 3.24Å; D830-S833 WeakPolarHBondContact CB-OG 3.04Å; D830-S833 VanDerWaalsContact CG-OG 3.28Å; D830-S833 WeakPolarHBondContact OD1-CB 3.4Å; D830-S833 PolarHBondContact OD1-N 2.69Å; D830-S833 PolarHBondContact OD1-OG 2.77Å; D830-G834 WeakPolarHBondContact O-CA 3.04Å; D830-G834 PolarHBondContact O-N 3.47Å; D830-L835 HydrophobicContact CB-CB 4.08Å; D830-L835 PolarHBondContact N-O 3.39Å | ||
| 831 | S | 91.6 | Very high | 82 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -7.3 | -170.9 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | K791 Y792 | K791-S831 WeakPolarHBondContact CA-O 3.32Å; Y792-S831 PolarHBondContact N-O 2.74Å; Y792-S831 WeakPolarHBondContact O-CA 3.23Å; Y792-S831 WeakPolarHBondContact O-CB 3.42Å |
| 832 | T | 89.8 | Confident | 83.6 | Confident | 111 Ų | 111 | 52.1 Ų | 52.1 | 68% | 0.681 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -40.3 | -178 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | D830 | D830-T832 VanDerWaalsContact C-N 3.27Å; D830-T832 PolarHBondContact O-N 3.5Å; D830-T832 PolarHBondContact OD1-N 2.72Å; D830-T832 PolarHBondContact OD1-OG1 3.24Å |
| 833 | S | 89.5 | Confident | 84.7 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -8.7 | -178.8 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | D830 L835 | D830-S833 WeakPolarHBondContact CB-OG 3.04Å; D830-S833 VanDerWaalsContact CG-OG 3.28Å; D830-S833 WeakPolarHBondContact OD1-CB 3.4Å; D830-S833 PolarHBondContact OD1-N 2.69Å; D830-S833 PolarHBondContact OD1-OG 2.77Å; S833-L835 PolarHBondContact O-N 3.33Å |
| 834 | G | 89.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | 68 | 10.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L777 D830 I836 | L777-G834 WeakPolarHBondContact CB-O 3.43Å; L777-G834 WeakPolarHBondContact CG-O 3.37Å; L777-G834 PolarHBondContact N-O 3.23Å; D830-G834 WeakPolarHBondContact O-CA 3.04Å; D830-G834 PolarHBondContact O-N 3.47Å; G834-I836 PolarHBondContact O-N 2.8Å | ||
| 835 | L | 92 | Very high | 86.5 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 121.7 | 179.3 | 172.8 | 57.4 | 0 | 0 | 0 | 111.5 | I773 F776 I829 D830 S833 | I773-L835 HydrophobicContact CB-CD1 4.49Å; I773-L835 HydrophobicContact CG1-CD1 4.26Å; I773-L835 HydrophobicContact CG2-CD1 3.7Å; F776-L835 HydrophobicContact CD1-CB 3.89Å; F776-L835 HydrophobicContact CD1-CD1 4.17Å; F776-L835 HydrophobicContact CD2-CD1 4.41Å; F776-L835 HydrophobicContact CE1-CB 3.79Å; F776-L835 HydrophobicContact CE1-CD1 3.85Å; F776-L835 HydrophobicContact CE1-CD2 4.31Å; F776-L835 HydrophobicContact CE1-CG 4.18Å; F776-L835 HydrophobicContact CE2-CD1 4.09Å; F776-L835 HydrophobicContact CG-CD1 4.45Å; F776-L835 HydrophobicContact CZ-CD1 3.8Å; F776-L835 HydrophobicContact CZ-CD2 4.48Å; I829-L835 CarbonylContact C-O 3.56Å; I829-L835 WeakPolarHBondContact CA-O 3.21Å; D830-L835 HydrophobicContact CB-CB 4.08Å; D830-L835 PolarHBondContact N-O 3.39Å; S833-L835 PolarHBondContact O-N 3.33Å |
| 836 | I | 92.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.3 | 172.9 | -56 | 178.5 | 0 | 0 | 0 | 109.5 | F750 I774 G775 L777 Q828 G834 L856 I875 I877 | F750-I836 HydrophobicContact CD2-CD1 4.47Å; F750-I836 HydrophobicContact CE2-CD1 4.05Å; I774-I836 HydrophobicContact CB-CB 4.41Å; I774-I836 HydrophobicContact CB-CG2 4.13Å; I774-I836 HydrophobicContact CD1-CG2 4.18Å; I774-I836 HydrophobicContact CG2-CG2 4.47Å; I774-I836 PolarHBondContact N-O 3.21Å; G775-I836 PolarHBondContact N-O 2.73Å; G775-I836 PolarHBondContact O-N 3.27Å; L777-I836 HydrophobicContact CD1-CD1 4.14Å; L777-I836 HydrophobicContact CD1-CG1 4.33Å; L777-I836 HydrophobicContact CD2-CD1 3.96Å; L777-I836 HydrophobicContact CG-CD1 3.88Å; L777-I836 HydrophobicContact CG-CG1 4.2Å; Q828-I836 WeakPolarHBondContact O-CA 3.34Å; G834-I836 PolarHBondContact O-N 2.8Å; I836-L856 HydrophobicContact CG2-CD2 4.47Å; I836-I875 HydrophobicContact CD1-CD1 3.42Å; I836-I875 VanDerWaalsContact CD1-CD1 3.42Å; I836-I877 HydrophobicContact CG2-CD1 4.45Å |
| 837 | S | 91.3 | Very high | 87.4 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 162.7 | 178.9 | 65 | 0 | 0 | 0 | 0 | 114 | Y772 F827 Q828 | Y772-S837 CarbonylContact O-C 3.59Å; Y772-S837 WeakPolarHBondContact O-CA 3.48Å; Y772-S837 WeakPolarHBondContact O-CB 3.39Å; F827-S837 CarbonylContact C-O 3.57Å; F827-S837 WeakPolarHBondContact CA-O 3.32Å; Q828-S837 PolarHBondContact N-O 2.91Å; Q828-S837 PolarHBondContact O-N 3.02Å |
| 838 | L | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.5 | 175.3 | 173.2 | 62.5 | 0 | 0 | 0 | 108.9 | I752 S771 Y772 I774 L826 F827 R840 K842 H843 I846 | I752-L838 HydrophobicContact CD1-CD2 3.58Å; S771-L838 CarbonylContact C-O 3.51Å; S771-L838 WeakPolarHBondContact CA-O 3.17Å; S771-L838 VanDerWaalsContact CB-O 3.28Å; S771-L838 WeakPolarHBondContact CB-O 3.34Å; Y772-L838 PolarHBondContact N-O 2.67Å; Y772-L838 PolarHBondContact O-N 3.41Å; I774-L838 HydrophobicContact CD1-CB 4.19Å; L826-L838 HydrophobicContact CD1-CD1 3.76Å; L826-L838 HydrophobicContact CG-CD1 4.11Å; L826-L838 WeakPolarHBondContact O-CD1 3.23Å; F827-L838 HydrophobicContact CD1-CB 4.32Å; L838-R840 PolarHBondContact O-N 3.24Å; L838-K842 HydrophobicContact CD1-CB 3.92Å; L838-H843 HydrophobicContact CD2-CB 4.38Å; L838-I846 HydrophobicContact CD2-CD1 3.96Å; L838-I846 HydrophobicContact CD2-CG1 3.56Å |
| 839 | S | 82.6 | Confident | 87.3 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 133.5 | 175 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | S841 K842 H843 | S839-S841 PolarHBondContact O-N 3.28Å; S839-S841 VanDerWaalsContact O-N 3.16Å; S839-S841 PolarHBondContact OG-OG 3.33Å; S839-K842 WeakPolarHBondContact O-CA 3.5Å; S839-K842 PolarHBondContact O-N 2.96Å; S839-H843 PolarHBondContact O-N 3.33Å |
| 840 | R | 76.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 50.9 Ų | 50.9 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -54.7 | -38.9 | 178.7 | -64.8 | -163.2 | -160.1 | -148.6 | 1.5 | 111.3 | D764 T769 N770 Y772 L838 K842 H843 | D764-R840 IonicContact OD1-NH1 3.7Å; D764-R840 PolarHBondContact OD1-NH1 3.08Å; D764-R840 IonicContact OD2-CZ 2.61Å; D764-R840 IonicContact OD2-NH1 3.86Å; D764-R840 PolarHBondContact OD2-NH1 2.89Å; T769-R840 PolarHBondContact O-NE 3.26Å; T769-R840 PolarHBondContact O-NH2 2.81Å; N770-R840 PolarHBondContact O-N 3.43Å; N770-R840 VanDerWaalsContact O-N 3.09Å; Y772-R840 HydrophobicContact CD2-CB 4.48Å; Y772-R840 HydrophobicContact CD2-CG 3.9Å; Y772-R840 HydrophobicContact CE2-CB 4.33Å; Y772-R840 HydrophobicContact CE2-CG 3.85Å; L838-R840 PolarHBondContact O-N 3.24Å; R840-K842 PolarHBondContact O-N 2.87Å; R840-H843 WeakPolarHBondContact O-CB 3.17Å; R840-H843 PolarHBondContact O-N 3.05Å |
| 841 | S | 78.3 | Confident | 86.6 | Confident | 91 Ų | 91 | 48.8 Ų | 48.8 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -65.6 | 3.6 | 174.3 | 61 | 0 | 0 | 0 | 0 | 116.1 | S839 Y844 | S839-S841 PolarHBondContact O-N 3.28Å; S839-S841 VanDerWaalsContact O-N 3.16Å; S839-S841 PolarHBondContact OG-OG 3.33Å; S841-Y844 WeakPolarHBondContact O-CE1 3.21Å |
| 842 | K | 83.5 | Confident | 86.3 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -125.7 | 1.4 | 173.1 | -66 | -167.9 | -179.1 | -172.4 | 0 | 113.4 | S825 L826 L838 S839 R840 Y844 L845 | S825-K842 PolarHBondContact O-NZ 2.9Å; S825-K842 PolarHBondContact OG-NZ 2.84Å; L826-K842 HydrophobicContact CD1-CB 4.41Å; L838-K842 HydrophobicContact CD1-CB 3.92Å; S839-K842 WeakPolarHBondContact O-CA 3.5Å; S839-K842 PolarHBondContact O-N 2.96Å; R840-K842 PolarHBondContact O-N 2.87Å; K842-Y844 PolarHBondContact O-N 3.07Å; K842-L845 HydrophobicContact CB-CD1 4.24Å; K842-L845 HydrophobicContact CG-CD1 4.39Å; K842-L845 WeakPolarHBondContact O-CB 3.27Å; K842-L845 PolarHBondContact O-N 3.13Å |
| 843 | H | 85 | Confident | 86.3 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -63.1 | -33.7 | -178.4 | -171.7 | -163.1 | 0 | 0 | 0 | 112 | N753 E754 W755 Y772 L838 S839 R840 L845 I846 | N753-H843 PolarHBondContact O-NE2 3.38Å; E754-H843 PolarHBondContact O-NE2 2.84Å; W755-H843 HydrophobicContact CE3-CB 3.85Å; W755-H843 AromaticContact CE3-CG 3.8Å; W755-H843 AromaticContact CE3-ND1 3.75Å; W755-H843 HydrophobicContact CZ3-CB 4.13Å; Y772-H843 HydrophobicContact CD2-CB 4.33Å; Y772-H843 AromaticContact CD2-ND1 3.93Å; Y772-H843 HydrophobicContact CE2-CB 4.15Å; Y772-H843 AromaticContact CE2-CG 3.93Å; Y772-H843 AromaticContact CE2-ND1 3.28Å; Y772-H843 VanDerWaalsContact CE2-ND1 3.28Å; Y772-H843 WeakPolarHBondContact CE2-ND1 3.16Å; Y772-H843 AromaticContact CZ-ND1 3.8Å; L838-H843 HydrophobicContact CD2-CB 4.38Å; S839-H843 PolarHBondContact O-N 3.33Å; R840-H843 WeakPolarHBondContact O-CB 3.17Å; R840-H843 PolarHBondContact O-N 3.05Å; H843-L845 PolarHBondContact O-N 2.93Å; H843-I846 WeakPolarHBondContact O-CB 3.49Å; H843-I846 PolarHBondContact O-N 2.88Å |
| 844 | Y | 84.1 | Confident | 86.4 | Confident | 145 Ų | 145 | 41.3 Ų | 41.3 | 57% | 0.569 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -58.8 | -1.8 | 170.2 | 87.3 | -83.1 | 0 | 0 | 0 | 116 | S841 K842 | S841-Y844 WeakPolarHBondContact O-CE1 3.21Å; K842-Y844 PolarHBondContact O-N 3.07Å |
| 845 | L | 84.7 | Confident | 86.4 | Confident | 80 Ų | 80 | 42.8 Ų | 42.8 | 42% | 0.419 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -102.2 | 2.9 | 173.2 | -57.5 | 173.6 | 0 | 0 | 0 | 112.9 | L826 K842 H843 | L826-L845 HydrophobicContact CD1-CB 4.03Å; L826-L845 HydrophobicContact CD1-CD1 4.39Å; K842-L845 HydrophobicContact CB-CD1 4.24Å; K842-L845 HydrophobicContact CG-CD1 4.39Å; K842-L845 WeakPolarHBondContact O-CB 3.27Å; K842-L845 PolarHBondContact O-N 3.13Å; H843-L845 PolarHBondContact O-N 2.93Å |
| 846 | I | 88.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -99.9 | 116.9 | 170.4 | -48.6 | -58.4 | 0 | 0 | 0 | 107.2 | I752 E754 W755 L826 F827 L838 H843 Y854 V879 | I752-I846 HydrophobicContact CG2-CG2 4.26Å; E754-I846 HydrophobicContact CB-CG2 4.3Å; W755-I846 PolarHBondContact N-O 3.14Å; L826-I846 HydrophobicContact CD1-CD1 4.06Å; L826-I846 HydrophobicContact CD2-CD1 3.81Å; L826-I846 HydrophobicContact CG-CD1 4.15Å; F827-I846 HydrophobicContact CE1-CD1 4.35Å; F827-I846 HydrophobicContact CZ-CD1 4.22Å; L838-I846 HydrophobicContact CD2-CD1 3.96Å; L838-I846 HydrophobicContact CD2-CG1 3.56Å; H843-I846 WeakPolarHBondContact O-CB 3.49Å; H843-I846 PolarHBondContact O-N 2.88Å; I846-Y854 HydrophobicContact CD1-CE2 4.05Å; I846-V879 HydrophobicContact CG2-CB 4.46Å; I846-V879 HydrophobicContact CG2-CG1 3.72Å; I846-V879 HydrophobicContact CG2-CG2 3.84Å | ||
| 847 | D | 87.9 | Confident | 86.4 | Confident | 50 Ų | 50 | 44 Ų | 44 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | trans | -151.7 | 120.7 | -169.3 | 161.6 | -41.9 | 0 | 0 | 0 | 105.4 | E849 Q850 V851 | D847-E849 WeakPolarHBondContact OD1-CB 3.28Å; D847-E849 PolarHBondContact OD1-N 2.86Å; D847-Q850 HydrophobicContact CB-CB 4.42Å; D847-Q850 VanDerWaalsContact CG-NE2 3.34Å; D847-Q850 VanDerWaalsContact OD1-CB 3.23Å; D847-Q850 WeakPolarHBondContact OD1-CB 3.49Å; D847-Q850 VanDerWaalsContact OD1-CG 3.23Å; D847-Q850 WeakPolarHBondContact OD1-CG 3.4Å; D847-Q850 PolarHBondContact OD1-N 2.91Å; D847-Q850 PolarHBondContact OD2-NE2 2.96Å; D847-V851 PolarHBondContact O-N 3.09Å | ||
| 848 | R | 89.3 | Confident | 86.5 | Confident | 26 Ų | 26 | 43.5 Ų | 43.5 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -29.8 | -168.8 | -161.5 | -155.3 | 91.1 | -83.2 | -31.1 | 111.8 | E754 Q850 V851 V879 D881 | E754-R848 VanDerWaalsContact CD-CB 3.47Å; E754-R848 WeakPolarHBondContact OE1-CB 3.16Å; E754-R848 IonicContact OE1-NH1 2.73Å; E754-R848 WeakPolarHBondContact OE2-CB 3.34Å; E754-R848 PolarHBondContact OE2-N 3.43Å; R848-Q850 PolarHBondContact O-N 2.81Å; R848-V851 CarbonylContact O-C 3.59Å; R848-V851 PolarHBondContact O-N 2.79Å; R848-V879 HydrophobicContact CB-CB 4.38Å; R848-V879 HydrophobicContact CB-CG1 3.77Å; R848-V879 HydrophobicContact CG-CB 4.1Å; R848-V879 HydrophobicContact CG-CG1 3.95Å; R848-D881 IonicContact CZ-OD1 2.68Å; R848-D881 IonicContact NE-OD1 3.89Å; R848-D881 IonicContact NH1-OD1 3.8Å; R848-D881 PolarHBondContact NH1-OD1 2.91Å |
| 849 | E | 86 | Confident | 86.8 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 23% | 0.229 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -36.4 | 169.8 | -79.8 | 47.8 | -112.5 | 0 | 0 | 111.4 | D847 L935 | D847-E849 WeakPolarHBondContact OD1-CB 3.28Å; D847-E849 PolarHBondContact OD1-N 2.86Å; E849-L935 HydrophobicContact CG-CB 3.92Å |
| 850 | Q | 83.3 | Confident | 87.3 | Confident | 122 Ų | 122 | 44.5 Ų | 44.5 | 57% | 0.57 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -43.9 | 176.3 | -70.3 | -175.6 | 66.8 | 0 | 0 | 112.9 | D847 R848 | D847-Q850 HydrophobicContact CB-CB 4.42Å; D847-Q850 VanDerWaalsContact CG-NE2 3.34Å; D847-Q850 VanDerWaalsContact OD1-CB 3.23Å; D847-Q850 WeakPolarHBondContact OD1-CB 3.49Å; D847-Q850 VanDerWaalsContact OD1-CG 3.23Å; D847-Q850 WeakPolarHBondContact OD1-CG 3.4Å; D847-Q850 PolarHBondContact OD1-N 2.91Å; D847-Q850 PolarHBondContact OD2-NE2 2.96Å; R848-Q850 PolarHBondContact O-N 2.81Å |
| 851 | V | 84.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 11% | 0.109 | 22% | 0.217 | C | C | . | . | trans | -144.5 | 109.9 | -175.5 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | T799 D847 R848 Y854 V879 | T799-V851 HydrophobicContact CG2-CG1 3.73Å; T799-V851 HydrophobicContact CG2-CG2 4Å; D847-V851 PolarHBondContact O-N 3.09Å; R848-V851 CarbonylContact O-C 3.59Å; R848-V851 PolarHBondContact O-N 2.79Å; V851-Y854 HydrophobicContact CB-CE1 4.44Å; V851-Y854 HydrophobicContact CB-CE2 4.33Å; V851-Y854 HydrophobicContact CG1-CD1 4.11Å; V851-Y854 HydrophobicContact CG1-CD2 4.03Å; V851-Y854 HydrophobicContact CG1-CE1 3.9Å; V851-Y854 HydrophobicContact CG1-CE2 3.82Å; V851-Y854 HydrophobicContact CG1-CG 4.16Å; V851-V879 VanDerWaalsContact O-CG2 3.28Å; V851-V879 WeakPolarHBondContact O-CG2 3.22Å | ||
| 852 | T | 85.8 | Confident | 88.9 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -76.2 | -31.8 | 173.4 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | V879 | T852-V879 PolarHBondContact O-N 3.32Š|
| 853 | T | 89 | Confident | 89.3 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 120.7 | -169.5 | -35.7 | 0 | 0 | 0 | 0 | 111.6 | T799 E800 Q876 Y878 | T799-T853 WeakPolarHBondContact CA-O 3.24Å; E800-T853 PolarHBondContact N-O 3.22Å; E800-T853 WeakPolarHBondContact OE2-CB 3.33Å; E800-T853 PolarHBondContact OE2-OG1 2.68Å; T853-Q876 HydrophobicContact CG2-CB 4.23Å; T853-Q876 HydrophobicContact CG2-CG 4.35Å; T853-Y878 HydrophobicContact CG2-CD1 3.75Å; T853-Y878 HydrophobicContact CG2-CE1 3.96Å |
| 854 | Y | 90.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 138.8 | 165.5 | -60.5 | -92.2 | 0 | 0 | 0 | 110.1 | I797 T799 L823 L826 F827 I846 V851 Q876 I877 V879 | I797-Y854 HydrophobicContact CG2-CD1 4.08Å; T799-Y854 HydrophobicContact CG2-CD1 3.57Å; T799-Y854 HydrophobicContact CG2-CE1 3.8Å; T799-Y854 HydrophobicContact CG2-CG 4.47Å; L823-Y854 HydrophobicContact CD2-CE1 4.33Å; L826-Y854 HydrophobicContact CD2-CD1 4.29Å; L826-Y854 HydrophobicContact CD2-CE1 3.56Å; F827-Y854 AromaticContact CE2-CD1 3.83Å; F827-Y854 HydrophobicContact CE2-CD1 3.83Å; F827-Y854 HydrophobicContact CE2-CD2 4.13Å; F827-Y854 HydrophobicContact CE2-CE1 4.39Å; F827-Y854 AromaticContact CE2-CG 3.7Å; F827-Y854 HydrophobicContact CE2-CG 3.7Å; F827-Y854 HydrophobicContact CZ-CD1 4.31Å; F827-Y854 AromaticContact CZ-CD2 3.89Å; F827-Y854 HydrophobicContact CZ-CD2 3.89Å; F827-Y854 HydrophobicContact CZ-CE2 4.19Å; F827-Y854 AromaticContact CZ-CG 3.95Å; F827-Y854 HydrophobicContact CZ-CG 3.95Å; I846-Y854 HydrophobicContact CD1-CE2 4.05Å; V851-Y854 HydrophobicContact CB-CE1 4.44Å; V851-Y854 HydrophobicContact CB-CE2 4.33Å; V851-Y854 HydrophobicContact CG1-CD1 4.11Å; V851-Y854 HydrophobicContact CG1-CD2 4.03Å; V851-Y854 HydrophobicContact CG1-CE1 3.9Å; V851-Y854 HydrophobicContact CG1-CE2 3.82Å; V851-Y854 HydrophobicContact CG1-CG 4.16Å; Y854-Q876 CarbonylContact O-C 3.36Å; Y854-Q876 WeakPolarHBondContact O-CA 3.41Å; Y854-I877 PolarHBondContact N-O 2.86Å; Y854-I877 PolarHBondContact O-N 3.31Å; Y854-V879 HydrophobicContact CD2-CG2 3.96Å; Y854-V879 HydrophobicContact CE2-CG2 3.6Å |
| 855 | H | 90.8 | Very high | 88.9 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 15% | 0.148 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.3 | 175.7 | -75.7 | 69.9 | 0 | 0 | 0 | 108.5 | I797 T798 E800 T874 I875 Q876 | I797-H855 WeakPolarHBondContact CA-O 3.39Å; T798-H855 PolarHBondContact N-O 3.26Å; T798-H855 PolarHBondContact O-N 2.76Å; T798-H855 WeakPolarHBondContact OG1-CB 3.33Å; E800-H855 IonicContact OE1-CE1 3.77Å; H855-T874 HydrophobicContact CB-CG2 4.11Å; H855-I875 WeakPolarHBondContact CA-O 3.4Å; H855-Q876 PolarHBondContact NE2-NE2 3.04Å |
| 856 | L | 92.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114.9 | -178 | -81.4 | 60.8 | 0 | 0 | 0 | 109.2 | L794 I797 F827 I836 T874 I875 I877 | L794-L856 HydrophobicContact CD1-CB 4.06Å; L794-L856 HydrophobicContact CD1-CD2 4.21Å; L794-L856 HydrophobicContact CD1-CG 3.96Å; I797-L856 HydrophobicContact CG1-CD1 4.05Å; I797-L856 HydrophobicContact CG1-CG 3.91Å; F827-L856 HydrophobicContact CB-CD2 4.34Å; F827-L856 HydrophobicContact CD2-CD1 3.86Å; F827-L856 HydrophobicContact CD2-CD2 4.07Å; F827-L856 HydrophobicContact CD2-CG 4.31Å; F827-L856 HydrophobicContact CE2-CD1 3.98Å; F827-L856 HydrophobicContact CG-CD2 4.37Å; I836-L856 HydrophobicContact CG2-CD2 4.47Å; L856-T874 WeakPolarHBondContact O-CA 3.39Å; L856-I875 HydrophobicContact CB-CD1 4.25Å; L856-I875 HydrophobicContact CB-CG1 3.76Å; L856-I875 HydrophobicContact CD2-CD1 4.32Å; L856-I875 PolarHBondContact N-O 2.9Å; L856-I875 PolarHBondContact O-N 2.84Å; L856-I877 HydrophobicContact CD1-CD1 3.81Å; L856-I877 HydrophobicContact CD1-CG1 4.25Å; L856-I877 HydrophobicContact CD2-CD1 3.7Å; L856-I877 HydrophobicContact CG-CD1 4.4Å |
| 857 | Q | 91.9 | Very high | 88.3 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.9 | 167.8 | -70 | -172.6 | -25.4 | 0 | 0 | 109.6 | A795 Q796 Q873 T874 | A795-Q857 HydrophobicContact CB-CB 4.24Å; A795-Q857 WeakPolarHBondContact CB-O 2.98Å; A795-Q857 PolarHBondContact N-O 3.36Å; Q796-Q857 HydrophobicContact CB-CB 4.18Å; Q796-Q857 PolarHBondContact N-O 2.81Å; Q796-Q857 PolarHBondContact O-N 2.75Å; Q857-Q873 WeakPolarHBondContact CA-O 3.44Å; Q857-T874 HydrophobicContact CG-CG2 4.26Å |
| 858 | I | 93.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.4 | 179.4 | -61.4 | 146.2 | 0 | 0 | 0 | 107.7 | L741 L777 T793 I829 L860 I872 Q873 I875 | L741-I858 HydrophobicContact CD1-CD1 4.44Å; L777-I858 HydrophobicContact CD1-CD1 3.59Å; L777-I858 HydrophobicContact CD1-CG1 4.18Å; L777-I858 HydrophobicContact CD1-CG2 4.15Å; L777-I858 HydrophobicContact CD2-CD1 3.75Å; L777-I858 HydrophobicContact CG-CD1 4.31Å; T793-I858 WeakPolarHBondContact O-CA 3.38Å; I829-I858 HydrophobicContact CD1-CG1 4.34Å; I829-I858 HydrophobicContact CD1-CG2 4.25Å; I858-L860 HydrophobicContact CG2-CD2 3.98Å; I858-I872 WeakPolarHBondContact O-CA 3.24Å; I858-Q873 PolarHBondContact N-O 2.88Å; I858-Q873 PolarHBondContact O-N 2.74Å; I858-I875 HydrophobicContact CD1-CB 4.5Å; I858-I875 HydrophobicContact CD1-CD1 3.88Å; I858-I875 HydrophobicContact CD1-CG1 3.78Å; I858-I875 HydrophobicContact CD1-CG2 3.99Å |
| 859 | I | 94.3 | Very high | 88.6 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.8 | 162.5 | -66.1 | 154.9 | 0 | 0 | 0 | 107.1 | T793 A795 S871 I872 | T793-I859 PolarHBondContact N-O 3.07Å; T793-I859 PolarHBondContact O-N 2.61Å; A795-I859 HydrophobicContact CB-CD1 3.76Å; A795-I859 HydrophobicContact CB-CG1 3.92Å; I859-S871 WeakPolarHBondContact CA-O 3.16Å; I859-I872 HydrophobicContact CG1-CD1 4.33Å; I859-I872 HydrophobicContact CG1-CG1 4.06Å |
| 860 | L | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133 | 158 | -55.4 | -174.6 | 0 | 0 | 0 | 107.6 | P739 L741 A779 I790 Y792 I858 T870 S871 Q873 | P739-L860 HydrophobicContact CB-CB 3.96Å; P739-L860 HydrophobicContact CB-CD1 4.14Å; P739-L860 HydrophobicContact CG-CB 3.77Å; P739-L860 WeakPolarHBondContact O-CD1 3.41Å; L741-L860 HydrophobicContact CD2-CD1 4.42Å; L741-L860 HydrophobicContact CD2-CD2 4.45Å; L741-L860 HydrophobicContact CG-CD1 4.22Å; A779-L860 HydrophobicContact CB-CD1 3.54Å; A779-L860 HydrophobicContact CB-CD2 4.22Å; I790-L860 HydrophobicContact CG2-CB 4.04Å; I790-L860 HydrophobicContact CG2-CD1 4.47Å; I790-L860 HydrophobicContact CG2-CD2 4.16Å; I790-L860 HydrophobicContact CG2-CG 4.46Å; Y792-L860 HydrophobicContact CD1-CD2 3.35Å; Y792-L860 HydrophobicContact CE1-CD2 3.6Å; Y792-L860 HydrophobicContact CG-CD2 4.27Å; I858-L860 HydrophobicContact CG2-CD2 3.98Å; L860-T870 CarbonylContact O-C 3.56Å; L860-T870 WeakPolarHBondContact O-CA 3.22Å; L860-T870 WeakPolarHBondContact O-CB 3.33Å; L860-S871 PolarHBondContact N-O 3.2Å; L860-S871 PolarHBondContact O-N 3.13Å; L860-Q873 VanDerWaalsContact CD1-NE2 3.28Å |
| 861 | E | 94.4 | Very high | 89.4 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.9 | 175.6 | -179 | -168.5 | 102.7 | 0 | 0 | 106.6 | K791 K868 T870 | K791-E861 WeakPolarHBondContact CB-O 3.5Å; K791-E861 PolarHBondContact N-O 2.78Å; K791-E861 IonicContact NZ-OE1 3.78Å; K791-E861 PolarHBondContact NZ-OE1 2.85Å; K791-E861 IonicContact NZ-OE2 2.72Å; K791-E861 PolarHBondContact O-N 3.09Å; E861-K868 HydrophobicContact CG-CB 4.47Å; E861-K868 HydrophobicContact CG-CD 4.32Å; E861-K868 IonicContact OE1-NZ 3.04Å; E861-K868 PolarHBondContact OE1-NZ 3.23Å; E861-T870 HydrophobicContact CB-CG2 4.07Å; E861-T870 HydrophobicContact CG-CG2 3.95Å |
| 862 | D | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -69.7 | -168.8 | 171.8 | 64.8 | 42.9 | 0 | 0 | 0 | 112 | N735 N787 T789 G864 K868 L869 | N735-D862 PolarHBondContact ND2-OD2 3.27Å; N735-D862 PolarHBondContact OD1-OD2 2.74Å; N787-D862 VanDerWaalsContact O-CB 3.27Å; N787-D862 WeakPolarHBondContact O-CB 3.26Å; T789-D862 CarbonylContact O-C 3.49Å; T789-D862 WeakPolarHBondContact O-CA 3.25Å; D862-G864 PolarHBondContact OD1-N 2.99Å; D862-K868 PolarHBondContact O-NZ 3.32Å; D862-K868 VanDerWaalsContact OD1-CA 3.28Å; D862-K868 WeakPolarHBondContact OD1-CA 3.4Å; D862-K868 WeakPolarHBondContact OD1-CB 3.41Å; D862-K868 WeakPolarHBondContact OD1-CG 3.19Å; D862-L869 PolarHBondContact N-O 2.73Å; D862-L869 WeakPolarHBondContact OD2-CA 3.49Å; D862-L869 VanDerWaalsContact OD2-CB 3.3Å; D862-L869 WeakPolarHBondContact OD2-CB 3.17Å; D862-L869 PolarHBondContact OD2-N 3.34Å | ||
| 863 | M | 91.1 | Very high | 90.1 | Very high | 80 Ų | 80 | 51 Ų | 51 | 39% | 0.394 | 26% | 0.255 | S | S | . | . | trans | -121.2 | 21.3 | 168.9 | -67.5 | -66.8 | -66.4 | 0 | 0 | 113.4 | L786 T789 K791 K868 | L786-M863 HydrophobicContact CD2-CB 4.29Å; L786-M863 CarbonylContact O-C 3.55Å; L786-M863 VanDerWaalsContact O-CA 3.28Å; L786-M863 WeakPolarHBondContact O-CA 3.33Å; L786-M863 WeakPolarHBondContact O-CB 3.45Å; L786-M863 PolarHBondContact O-N 2.9Å; L786-M863 VanDerWaalsContact O-N 3.08Å; T789-M863 HydrophobicContact CG2-CB 4.24Å; T789-M863 HydrophobicContact CG2-CG 3.91Å; T789-M863 WeakPolarHBondContact O-CG 3.38Å; T789-M863 PolarHBondContact O-N 2.93Å; K791-M863 HydrophobicContact CD-SD 4.32Å; M863-K868 PolarHBondContact SD-NZ 3.22Å | ||
| 864 | G | 83.6 | Confident | 90.2 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | trans | -67.6 | 167.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L786 N787 D862 K868 | L786-G864 PolarHBondContact O-N 3.28Å; N787-G864 WeakPolarHBondContact OD1-CA 3.24Å; D862-G864 PolarHBondContact OD1-N 2.99Å; G864-K868 WeakPolarHBondContact O-CG 3.46Å | ||
| 865 | Y | 77.3 | Confident | 90.3 | Very high | 203 Ų | 203 | 53.1 Ų | 53.1 | 80% | 0.796 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -150.4 | 138.3 | -178 | -176.4 | -89.1 | 0 | 0 | 0 | 110.5 | ||
| 866 | P | 78.1 | Confident | 90.3 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 71% | 0.708 | 28% | 0.276 | S | S | * | . | S | Bend | cis | -86.2 | -11.3 | 7.9 | 34.2 | -36.5 | 0 | 0 | 0 | 115.1 | ||
| 867 | I | 82.4 | Confident | 90.3 | Very high | 116 Ų | 116 | 54.4 Ų | 54.4 | 60% | 0.595 | 28% | 0.275 | S | S | * | . | trans | -109.8 | 130.8 | 178.4 | -63 | 172 | 0 | 0 | 0 | 107.9 | N735 L869 | N735-I867 PolarHBondContact ND2-O 3.41Å; I867-L869 HydrophobicContact CG2-CD2 4.25Å | ||
| 868 | K | 91 | Very high | 90.3 | Very high | 81 Ų | 81 | 55 Ų | 55 | 35% | 0.352 | 28% | 0.275 | S | S | . | . | trans | -95.1 | 127.9 | 165.9 | -68.8 | 166.7 | 143.5 | -86.1 | 0 | 108.9 | E861 D862 M863 G864 | E861-K868 HydrophobicContact CG-CB 4.47Å; E861-K868 HydrophobicContact CG-CD 4.32Å; E861-K868 IonicContact OE1-NZ 3.04Å; E861-K868 PolarHBondContact OE1-NZ 3.23Å; D862-K868 PolarHBondContact O-NZ 3.32Å; D862-K868 VanDerWaalsContact OD1-CA 3.28Å; D862-K868 WeakPolarHBondContact OD1-CA 3.4Å; D862-K868 WeakPolarHBondContact OD1-CB 3.41Å; D862-K868 WeakPolarHBondContact OD1-CG 3.19Å; M863-K868 PolarHBondContact SD-NZ 3.22Å; G864-K868 WeakPolarHBondContact O-CG 3.46Å | ||
| 869 | L | 92.3 | Very high | 90.1 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | trans | -85.5 | 147.2 | 169 | -57.2 | 177.3 | 0 | 0 | 0 | 109.3 | D736 N737 E738 D862 I867 | D736-L869 WeakPolarHBondContact O-CD1 3.28Å; N737-L869 WeakPolarHBondContact O-CD1 3.34Å; E738-L869 HydrophobicContact CB-CB 4.44Å; D862-L869 PolarHBondContact N-O 2.73Å; D862-L869 WeakPolarHBondContact OD2-CA 3.49Å; D862-L869 VanDerWaalsContact OD2-CB 3.3Å; D862-L869 WeakPolarHBondContact OD2-CB 3.17Å; D862-L869 PolarHBondContact OD2-N 3.34Å; I867-L869 HydrophobicContact CG2-CD2 4.25Å | ||
| 870 | T | 93.3 | Very high | 89.9 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 47% | 0.466 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 129.6 | -175.2 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | L860 E861 | L860-T870 CarbonylContact O-C 3.56Å; L860-T870 WeakPolarHBondContact O-CA 3.22Å; L860-T870 WeakPolarHBondContact O-CB 3.33Å; E861-T870 HydrophobicContact CB-CG2 4.07Å; E861-T870 HydrophobicContact CG-CG2 3.95Å |
| 871 | S | 93.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 154.3 | 170 | 81.2 | 0 | 0 | 0 | 0 | 111 | P739 I859 L860 Q873 | P739-S871 VanDerWaalsContact O-CB 3.29Å; P739-S871 WeakPolarHBondContact O-CB 3.36Å; P739-S871 PolarHBondContact O-OG 2.7Å; I859-S871 WeakPolarHBondContact CA-O 3.16Å; L860-S871 PolarHBondContact N-O 3.2Å; L860-S871 PolarHBondContact O-N 3.13Å; S871-Q873 PolarHBondContact OG-NE2 2.84Å |
| 872 | I | 93.7 | Very high | 89.3 | Confident | 110 Ų | 110 | 56 Ų | 56 | 56% | 0.564 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120 | 174.9 | -54.2 | -176.8 | 0 | 0 | 0 | 108.4 | I858 I859 | I858-I872 WeakPolarHBondContact O-CA 3.24Å; I859-I872 HydrophobicContact CG1-CD1 4.33Å; I859-I872 HydrophobicContact CG1-CG1 4.06Å |
| 873 | Q | 91.5 | Very high | 89.1 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.6 | -176.7 | -73.6 | 165 | 84.8 | 0 | 0 | 110.5 | L741 L746 Q857 I858 L860 S871 | L741-Q873 VanDerWaalsContact CB-OE1 3.27Å; L741-Q873 HydrophobicContact CD1-CB 4.01Å; L746-Q873 HydrophobicContact CD2-CB 4.13Å; Q857-Q873 WeakPolarHBondContact CA-O 3.44Å; I858-Q873 PolarHBondContact N-O 2.88Å; I858-Q873 PolarHBondContact O-N 2.74Å; L860-Q873 VanDerWaalsContact CD1-NE2 3.28Å; S871-Q873 PolarHBondContact OG-NE2 2.84Å |
| 874 | T | 91.5 | Very high | 88.9 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 36% | 0.356 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.7 | -178.6 | -49.3 | 0 | 0 | 0 | 0 | 109.3 | H855 L856 Q857 | H855-T874 HydrophobicContact CB-CG2 4.11Å; L856-T874 WeakPolarHBondContact O-CA 3.39Å; Q857-T874 HydrophobicContact CG-CG2 4.26Å |
| 875 | I | 92.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 160 | 169.2 | 64.6 | 163.6 | 0 | 0 | 0 | 110.3 | L741 I745 F750 L777 I836 H855 L856 I858 | L741-I875 HydrophobicContact CD1-CG2 3.85Å; I745-I875 HydrophobicContact CG2-CG2 3.95Å; F750-I875 HydrophobicContact CD2-CD1 3.94Å; F750-I875 HydrophobicContact CE2-CD1 3.86Å; L777-I875 HydrophobicContact CD2-CD1 4.19Å; L777-I875 HydrophobicContact CD2-CG2 4.27Å; I836-I875 HydrophobicContact CD1-CD1 3.42Å; I836-I875 VanDerWaalsContact CD1-CD1 3.42Å; H855-I875 WeakPolarHBondContact CA-O 3.4Å; L856-I875 HydrophobicContact CB-CD1 4.25Å; L856-I875 HydrophobicContact CB-CG1 3.76Å; L856-I875 HydrophobicContact CD2-CD1 4.32Å; L856-I875 PolarHBondContact N-O 2.9Å; L856-I875 PolarHBondContact O-N 2.84Å; I858-I875 HydrophobicContact CD1-CB 4.5Å; I858-I875 HydrophobicContact CD1-CD1 3.88Å; I858-I875 HydrophobicContact CD1-CG1 3.78Å; I858-I875 HydrophobicContact CD1-CG2 3.99Å |
| 876 | Q | 90.9 | Very high | 89.7 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 141.8 | 171.4 | -68 | -180 | -25.9 | 0 | 0 | 110.3 | G749 F750 T853 Y854 H855 Y878 | G749-Q876 CarbonylContact C-O 3.26Å; G749-Q876 WeakPolarHBondContact CA-O 3.2Å; F750-Q876 PolarHBondContact N-O 3.43Å; T853-Q876 HydrophobicContact CG2-CB 4.23Å; T853-Q876 HydrophobicContact CG2-CG 4.35Å; Y854-Q876 CarbonylContact O-C 3.36Å; Y854-Q876 WeakPolarHBondContact O-CA 3.41Å; H855-Q876 PolarHBondContact NE2-NE2 3.04Å; Q876-Y878 HydrophobicContact CB-CE1 4.02Å; Q876-Y878 PolarHBondContact OE1-OH 2.72Å |
| 877 | I | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.9 | 165.1 | -56.2 | 177.1 | 0 | 0 | 0 | 106.5 | F750 I752 I774 F827 I836 Y854 L856 | F750-I877 HydrophobicContact CB-CG1 4.41Å; F750-I877 WeakPolarHBondContact O-CA 3.33Å; I752-I877 HydrophobicContact CB-CG2 4.36Å; I752-I877 HydrophobicContact CG2-CG2 3.79Å; I774-I877 HydrophobicContact CD1-CD1 4.31Å; I774-I877 HydrophobicContact CG2-CD1 4.23Å; I774-I877 HydrophobicContact CG2-CG2 4.47Å; F827-I877 HydrophobicContact CD1-CD1 4.47Å; F827-I877 HydrophobicContact CD2-CD1 4.4Å; F827-I877 HydrophobicContact CE1-CD1 4.31Å; F827-I877 HydrophobicContact CE2-CD1 4.24Å; F827-I877 HydrophobicContact CZ-CD1 4.2Å; I836-I877 HydrophobicContact CG2-CD1 4.45Å; Y854-I877 PolarHBondContact N-O 2.86Å; Y854-I877 PolarHBondContact O-N 3.31Å; L856-I877 HydrophobicContact CD1-CD1 3.81Å; L856-I877 HydrophobicContact CD1-CG1 4.25Å; L856-I877 HydrophobicContact CD2-CD1 3.7Å; L856-I877 HydrophobicContact CG-CD1 4.4Å |
| 878 | Y | 90.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 31% | 0.306 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137.2 | 177.1 | -48.5 | -71.3 | 0 | 0 | 0 | 110.3 | Y748 F750 T751 I752 T853 Q876 | Y748-Y878 WeakPolarHBondContact O-CE2 3.28Å; F750-Y878 WeakPolarHBondContact O-CD2 3.45Å; F750-Y878 PolarHBondContact O-N 2.8Å; T751-Y878 WeakPolarHBondContact CA-O 3.19Å; T751-Y878 HydrophobicContact CG2-CD2 4.32Å; I752-Y878 PolarHBondContact N-O 3.24Å; T853-Y878 HydrophobicContact CG2-CD1 3.75Å; T853-Y878 HydrophobicContact CG2-CE1 3.96Å; Q876-Y878 HydrophobicContact CB-CE1 4.02Å; Q876-Y878 PolarHBondContact OE1-OH 2.72Å |
| 879 | V | 90.4 | Very high | 90.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.4 | 172 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | I752 E754 I846 R848 V851 T852 Y854 | I752-V879 HydrophobicContact CG2-CG2 4.33Å; I752-V879 CarbonylContact O-C 3.58Å; I752-V879 WeakPolarHBondContact O-CA 3.46Å; E754-V879 HydrophobicContact CB-CG1 3.7Å; I846-V879 HydrophobicContact CG2-CB 4.46Å; I846-V879 HydrophobicContact CG2-CG1 3.72Å; I846-V879 HydrophobicContact CG2-CG2 3.84Å; R848-V879 HydrophobicContact CB-CB 4.38Å; R848-V879 HydrophobicContact CB-CG1 3.77Å; R848-V879 HydrophobicContact CG-CB 4.1Å; R848-V879 HydrophobicContact CG-CG1 3.95Å; V851-V879 VanDerWaalsContact O-CG2 3.28Å; V851-V879 WeakPolarHBondContact O-CG2 3.22Å; T852-V879 PolarHBondContact O-N 3.32Å; Y854-V879 HydrophobicContact CD2-CG2 3.96Å; Y854-V879 HydrophobicContact CE2-CG2 3.6Å |
| 880 | T | 89.3 | Confident | 90.1 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.1 | -179.9 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | T751 I752 N753 E754 | T751-T880 HydrophobicContact CG2-CG2 4.13Å; I752-T880 PolarHBondContact O-N 2.97Å; I752-T880 PolarHBondContact O-OG1 2.88Å; N753-T880 WeakPolarHBondContact CA-OG1 3.31Å; N753-T880 PolarHBondContact OD1-OG1 2.63Å; E754-T880 PolarHBondContact N-O 3.44Å |
| 881 | D | 87.7 | Confident | 89 | Confident | 39 Ų | 39 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 129.2 | -174 | -173.8 | 42.1 | 0 | 0 | 0 | 115 | E754 R848 F937 N940 | E754-D881 VanDerWaalsContact OE1-CA 3.25Å; E754-D881 WeakPolarHBondContact OE1-CA 3.34Å; R848-D881 IonicContact CZ-OD1 2.68Å; R848-D881 IonicContact NE-OD1 3.89Å; R848-D881 IonicContact NH1-OD1 3.8Å; R848-D881 PolarHBondContact NH1-OD1 2.91Å; D881-F937 HydrophobicContact CB-CB 4.18Å; D881-F937 PolarHBondContact OD1-N 2.6Å; D881-F937 WeakPolarHBondContact OD2-CA 3.23Å; D881-F937 WeakPolarHBondContact OD2-CB 3.38Å; D881-F937 PolarHBondContact OD2-N 3.21Å; D881-N940 VanDerWaalsContact CG-ND2 3.3Å; D881-N940 PolarHBondContact OD2-ND2 3.36Å |
| 882 | V | 89.2 | Confident | 88.1 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | trans | -120.5 | 130.1 | 170.3 | 174.7 | 0 | 0 | 0 | 0 | 108.3 | N753 E754 D756 D884 | N753-V882 HydrophobicContact CB-CG2 4.49Å; E754-V882 HydrophobicContact CG-CB 3.82Å; E754-V882 HydrophobicContact CG-CG2 3.91Å; E754-V882 PolarHBondContact OE1-N 2.92Å; D756-V882 HydrophobicContact CB-CG1 4.12Å; V882-D884 PolarHBondContact O-N 2.84Å | ||
| 883 | N | 89.2 | Confident | 87.2 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | trans | -60.1 | 111.4 | 174 | 175.9 | -69.3 | 0 | 0 | 0 | 109.8 | D936 N940 D999 R1004 L1006 | N883-D936 WeakPolarHBondContact CA-OD2 3.29Å; N883-N940 HydrophobicContact CB-CB 3.9Å; N883-N940 PolarHBondContact N-ND2 2.85Å; N883-D999 PolarHBondContact ND2-OD1 2.74Å; N883-D999 PolarHBondContact ND2-OD2 3.49Å; N883-R1004 PolarHBondContact O-NE 2.86Å; N883-R1004 PolarHBondContact O-NH2 3.41Å; N883-R1004 WeakPolarHBondContact OD1-CG 3.36Å; N883-L1006 WeakPolarHBondContact OD1-CD1 3.11Å; N883-L1006 VanDerWaalsContact OD1-CG 3.22Å; N883-L1006 WeakPolarHBondContact OD1-CG 3.41Å | ||
| 884 | D | 87.5 | Confident | 86.5 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | trans | -142.4 | -31.2 | -171.5 | 145.4 | -67 | 0 | 0 | 0 | 111.2 | Y758 V882 D936 L1006 | Y758-D884 VanDerWaalsContact CE2-O 3.25Å; Y758-D884 WeakPolarHBondContact CE2-O 3.42Å; Y758-D884 PolarHBondContact OH-O 3.43Å; Y758-D884 VanDerWaalsContact OH-O 3.13Å; V882-D884 PolarHBondContact O-N 2.84Å; D884-D936 PolarHBondContact N-OD2 2.65Å; D884-L1006 WeakPolarHBondContact O-CD1 3.46Å | ||
| 885 | N | 88 | Confident | 85.8 | Confident | 18 Ų | 18 | 44 Ų | 44 | 10% | 0.096 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -87.3 | 124.3 | 173.3 | -66.8 | -89.2 | 0 | 0 | 0 | 111.6 | R888 L935 D936 | N885-R888 PolarHBondContact OD1-NH2 3.46Å; N885-L935 HydrophobicContact CB-CB 3.93Å; N885-D936 WeakPolarHBondContact CB-OD1 3.23Å; N885-D936 PolarHBondContact N-OD1 2.88Å; N885-D936 PolarHBondContact N-OD2 2.79Å; N885-D936 PolarHBondContact ND2-OD1 2.98Å |
| 886 | A | 88.9 | Confident | 85 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 140.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | R888 L1006 T1008 | A886-R888 WeakPolarHBondContact O-CG 3.17Å; A886-L1006 HydrophobicContact CB-CB 3.97Å; A886-L1006 HydrophobicContact CB-CD1 4.2Å; A886-T1008 HydrophobicContact CB-CG2 4.18Å |
| 887 | P | 91.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -51.3 | 139.2 | 179.1 | -27.8 | 29.3 | 0 | 0 | 0 | 113.8 | V932 D934 L943 V997 D999 T1008 | P887-V932 HydrophobicContact CB-CG1 4.01Å; P887-D934 VanDerWaalsContact CA-OD2 3.22Å; P887-D934 WeakPolarHBondContact CA-OD2 3.47Å; P887-D934 WeakPolarHBondContact CD-OD2 3.2Å; P887-D934 VanDerWaalsContact CG-OD2 3.22Å; P887-D934 WeakPolarHBondContact CG-OD2 3.32Å; P887-L943 HydrophobicContact CB-CD2 3.66Å; P887-L943 HydrophobicContact CG-CD2 3.56Å; P887-V997 HydrophobicContact CB-CG1 4.02Å; P887-V997 HydrophobicContact CB-CG2 4.31Å; P887-D999 HydrophobicContact CG-CB 4.32Å; P887-T1008 WeakPolarHBondContact O-CB 3.49Å; P887-T1008 WeakPolarHBondContact O-CG2 3.46Å; P887-T1008 PolarHBondContact O-OG1 3.22Å |
| 888 | R | 89.9 | Confident | 83 | Confident | 99 Ų | 99 | 47.3 Ų | 47.3 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.9 | -171.4 | -53.8 | -167.6 | -170 | -174.8 | 8.8 | 113.8 | N885 A886 V932 Y933 | N885-R888 PolarHBondContact OD1-NH2 3.46Å; A886-R888 WeakPolarHBondContact O-CG 3.17Å; R888-V932 WeakPolarHBondContact O-CA 3.46Å; R888-V932 VanDerWaalsContact O-CG1 3.28Å; R888-V932 WeakPolarHBondContact O-CG1 3.45Å; R888-Y933 HydrophobicContact CB-CD1 4.3Å; R888-Y933 HydrophobicContact CB-CD2 4.45Å; R888-Y933 HydrophobicContact CB-CE1 3.76Å; R888-Y933 HydrophobicContact CB-CE2 3.94Å; R888-Y933 HydrophobicContact CG-CE2 4.41Å; R888-Y933 PolarHBondContact N-O 3.49Å; R888-Y933 WeakPolarHBondContact O-CD1 3.42Å; R888-Y933 WeakPolarHBondContact O-CE1 3.46Å; R888-Y933 PolarHBondContact O-N 3.28Å |
| 889 | W | 87.8 | Confident | 81.9 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 137.1 | 173.7 | -61.7 | 94.5 | 0 | 0 | 0 | 111.8 | V892 Y910 L912 L930 V932 I995 V997 T1008 | W889-V892 HydrophobicContact CB-CG2 3.52Å; W889-Y910 AromaticContact CD1-CD2 3.46Å; W889-Y910 VanDerWaalsContact CD1-CD2 3.46Å; W889-Y910 AromaticContact CD1-CG 3.88Å; W889-Y910 HydrophobicContact CG-CD2 4.47Å; W889-L912 HydrophobicContact CB-CD2 4.12Å; W889-L912 HydrophobicContact CD2-CD1 4.09Å; W889-L912 HydrophobicContact CD2-CD2 3.79Å; W889-L912 HydrophobicContact CE3-CD1 3.69Å; W889-L912 HydrophobicContact CE3-CD2 3.82Å; W889-L912 HydrophobicContact CE3-CG 4.43Å; W889-L912 HydrophobicContact CG-CD2 3.93Å; W889-L912 HydrophobicContact CH2-CD1 3.92Å; W889-L912 HydrophobicContact CZ2-CD1 4.27Å; W889-L912 HydrophobicContact CZ3-CD1 3.61Å; W889-L930 HydrophobicContact CH2-CD1 4.39Å; W889-L930 HydrophobicContact CZ3-CB 4.21Å; W889-L930 HydrophobicContact CZ3-CD1 4.04Å; W889-L930 HydrophobicContact CZ3-CG 4.49Å; W889-V932 HydrophobicContact CD2-CG2 3.94Å; W889-V932 HydrophobicContact CE3-CG2 3.43Å; W889-V932 VanDerWaalsContact CE3-CG2 3.43Å; W889-V932 HydrophobicContact CH2-CG2 4.12Å; W889-V932 HydrophobicContact CZ3-CG2 3.52Å; W889-I995 HydrophobicContact CH2-CB 4.36Å; W889-I995 HydrophobicContact CH2-CG2 3.8Å; W889-I995 HydrophobicContact CZ2-CG2 4.39Å; W889-V997 HydrophobicContact CD2-CG1 4.38Å; W889-V997 HydrophobicContact CH2-CB 4.17Å; W889-V997 HydrophobicContact CH2-CG1 4.06Å; W889-V997 HydrophobicContact CZ2-CB 3.96Å; W889-V997 HydrophobicContact CZ2-CG1 3.46Å; W889-V997 VanDerWaalsContact CZ2-CG1 3.46Å; W889-T1008 PolarHBondContact NE1-OG1 3.27Å; W889-T1008 VanDerWaalsContact NE1-OG1 3.11Å |
| 890 | H | 82.3 | Confident | 80.3 | Confident | 102 Ų | 102 | 48.9 Ų | 48.9 | 47% | 0.472 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -89.7 | -45.6 | -179.3 | -170.2 | 94.3 | 0 | 0 | 0 | 112.9 | K931 | H890-K931 HydrophobicContact CB-CB 3.69Å; H890-K931 WeakPolarHBondContact CB-O 3.32Å; H890-K931 PolarHBondContact N-O 2.83Å |
| 891 | D | 70.8 | Confident | 78.6 | Confident | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -103.1 | 89.3 | -176.3 | -57.2 | -72.8 | 0 | 0 | 0 | 109.8 | K931 | D891-K931 VanDerWaalsContact CG-NZ 3.34Å; D891-K931 IonicContact OD1-NZ 3.85Å; D891-K931 PolarHBondContact OD1-NZ 3.32Å; D891-K931 IonicContact OD2-NZ 2.67Å; D891-K931 PolarHBondContact OD2-NZ 3.29Å |
| 892 | V | 74.9 | Confident | 76.8 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.4 | -174 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | W889 E894 Y910 L912 | W889-V892 HydrophobicContact CB-CG2 3.52Å; V892-E894 WeakPolarHBondContact CG1-O 3.29Å; V892-Y910 HydrophobicContact CG1-CD1 3.83Å; V892-Y910 HydrophobicContact CG2-CD1 4.1Å; V892-Y910 HydrophobicContact CG2-CG 4.46Å; V892-L912 HydrophobicContact CG2-CD2 4.41Å |
| 893 | V | 74.6 | Confident | 75 | Confident | 74 Ų | 74 | 64.6 Ų | 64.6 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -54.9 | 172.8 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | Q911 E913 | V893-Q911 HydrophobicContact CB-CB 4.36Å; V893-Q911 HydrophobicContact CB-CG 4.43Å; V893-Q911 PolarHBondContact N-O 2.73Å; V893-E913 HydrophobicContact CG2-CB 3.58Å |
| 894 | E | 76.3 | Confident | 73.4 | Confident | 103 Ų | 103 | 70.1 Ų | 70.1 | 48% | 0.481 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 167.7 | -179.4 | 59.7 | -173.2 | 173.2 | 0 | 0 | 110.8 | V892 Q911 | V892-E894 WeakPolarHBondContact CG1-O 3.29Å; E894-Q911 HydrophobicContact CG-CB 3.76Å; E894-Q911 PolarHBondContact O-N 3.3Å; E894-Q911 PolarHBondContact OE1-NE2 2.95Å |
| 895 | S | 77.2 | Confident | 71.8 | Confident | 71 Ų | 71 | 75.8 Ų | 75.8 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131 | -178.2 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | I909 | S895-I909 WeakPolarHBondContact CA-O 3.34Å |
| 896 | T | 74.8 | Confident | 70.8 | Confident | 45 Ų | 45 | 80 Ų | 80 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.6 | -178.6 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | I898 T908 I909 L957 | T896-I898 HydrophobicContact CG2-CG1 4.35Å; T896-T908 WeakPolarHBondContact O-CA 3.16Å; T896-I909 PolarHBondContact N-O 2.64Å; T896-I909 PolarHBondContact O-N 2.79Å; T896-L957 HydrophobicContact CG2-CD2 4.2Å |
| 897 | N | 73.9 | Confident | 70 | Confident | 87 Ų | 87 | 80 Ų | 80 | 47% | 0.465 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.4 | 169.8 | -75.2 | 24.8 | 0 | 0 | 0 | 109.6 | E906 T908 | N897-E906 PolarHBondContact ND2-OE2 2.98Å; N897-T908 PolarHBondContact OD1-OG1 2.82Å |
| 898 | I | 68.3 | Low | 69.4 | Low | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.8 | 178 | -61.5 | -172.9 | 0 | 0 | 0 | 108.2 | T896 E906 I907 I909 E953 Y954 L957 | T896-I898 HydrophobicContact CG2-CG1 4.35Å; I898-E906 WeakPolarHBondContact O-CA 3.33Å; I898-I907 PolarHBondContact N-O 3.27Å; I898-I907 PolarHBondContact O-N 3.48Å; I898-I909 HydrophobicContact CD1-CG2 3.75Å; I898-I909 HydrophobicContact CG1-CG2 4.2Å; I898-E953 HydrophobicContact CG2-CB 3.9Å; I898-Y954 HydrophobicContact CD1-CD1 3.8Å; I898-Y954 HydrophobicContact CD1-CE1 4.23Å; I898-L957 HydrophobicContact CD1-CD1 4.05Å; I898-L957 HydrophobicContact CD1-CD2 4.42Å; I898-L957 HydrophobicContact CD1-CG 4.25Å |
| 899 | Q | 67.6 | Low | 69.2 | Low | 87 Ų | 87 | 77.3 Ų | 77.3 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 118 | 179.2 | -81.7 | -175.9 | -5.9 | 0 | 0 | 111.8 | Y901 E906 | Q899-Y901 HydrophobicContact CB-CD2 4.36Å; Q899-Y901 HydrophobicContact CB-CE2 3.8Å; Q899-Y901 VanDerWaalsContact O-CD2 3.27Å; Q899-Y901 WeakPolarHBondContact O-CD2 3.31Å; Q899-Y901 PolarHBondContact O-N 3.47Å; Q899-Y901 PolarHBondContact OE1-OH 2.75Å; Q899-E906 HydrophobicContact CG-CG 3.53Å; Q899-E906 PolarHBondContact NE2-OE1 2.82Å |
| 900 | L | 57.4 | Low | 69.1 | Low | 34 Ų | 34 | 79.3 Ų | 79.3 | 18% | 0.178 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 95.1 | 167.3 | 74.8 | 53.7 | 0 | 0 | 0 | 114.8 | Y903 N904 K905 I907 E953 | L900-Y903 CarbonylContact O-C 3.58Å; L900-Y903 PolarHBondContact O-N 2.78Å; L900-N904 PolarHBondContact O-N 3.15Å; L900-K905 WeakPolarHBondContact CA-O 3.38Å; L900-K905 HydrophobicContact CD1-CB 4.02Å; L900-K905 PolarHBondContact N-O 2.78Å; L900-I907 HydrophobicContact CD1-CD1 3.93Å; L900-I907 HydrophobicContact CD1-CG1 4.08Å; L900-I907 HydrophobicContact CD2-CD1 3.73Å; L900-I907 HydrophobicContact CD2-CG1 4.48Å; L900-I907 HydrophobicContact CG-CD1 3.96Å; L900-I907 HydrophobicContact CG-CG1 4.18Å; L900-E953 WeakPolarHBondContact CB-OE1 3.46Å; L900-E953 WeakPolarHBondContact CB-OE2 3.16Å; L900-E953 VanDerWaalsContact CD2-OE2 3.26Å; L900-E953 WeakPolarHBondContact CD2-OE2 3.24Å |
| 901 | Y | 52.1 | Low | 69.4 | Low | 153 Ų | 153 | 76 Ų | 76 | 60% | 0.6 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 130.7 | 171.4 | -77.9 | -87.7 | 0 | 0 | 0 | 110.9 | Q899 E953 | Q899-Y901 HydrophobicContact CB-CD2 4.36Å; Q899-Y901 HydrophobicContact CB-CE2 3.8Å; Q899-Y901 VanDerWaalsContact O-CD2 3.27Å; Q899-Y901 WeakPolarHBondContact O-CD2 3.31Å; Q899-Y901 PolarHBondContact O-N 3.47Å; Q899-Y901 PolarHBondContact OE1-OH 2.75Å; Y901-E953 PolarHBondContact N-OE1 2.77Å |
| 902 | P | 50.7 | Low | 70.3 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 66% | 0.656 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95.4 | 9.3 | 11.9 | 38.8 | -39 | 0 | 0 | 0 | 115.7 | ||
| 903 | Y | 52 | Low | 70.8 | Confident | 183 Ų | 183 | 77.6 Ų | 77.6 | 72% | 0.718 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.5 | -164 | -62.1 | -70.8 | 0 | 0 | 0 | 116.4 | L900 K905 | L900-Y903 CarbonylContact O-C 3.58Å; L900-Y903 PolarHBondContact O-N 2.78Å; Y903-K905 PolarHBondContact O-N 3.41Å |
| 904 | N | 55.2 | Low | 71.3 | Confident | 123 Ų | 123 | 74.8 Ų | 74.8 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 23.1 | -176.9 | -70.7 | -7 | 0 | 0 | 0 | 115 | L900 | L900-N904 PolarHBondContact O-N 3.15Š|
| 905 | K | 52.7 | Low | 71.8 | Confident | 148 Ų | 148 | 74.6 Ų | 74.6 | 64% | 0.643 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 127.8 | 173.1 | -76.2 | -170.2 | 172.6 | -169.9 | 0 | 110.1 | L900 Y903 | L900-K905 WeakPolarHBondContact CA-O 3.38Å; L900-K905 HydrophobicContact CD1-CB 4.02Å; L900-K905 PolarHBondContact N-O 2.78Å; Y903-K905 PolarHBondContact O-N 3.41Å |
| 906 | E | 67.2 | Low | 72.3 | Confident | 105 Ų | 105 | 72 Ų | 72 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.1 | 169.8 | -76.6 | -175.7 | -163.2 | 0 | 0 | 110.8 | N897 I898 Q899 | N897-E906 PolarHBondContact ND2-OE2 2.98Å; I898-E906 WeakPolarHBondContact O-CA 3.33Å; Q899-E906 HydrophobicContact CG-CG 3.53Å; Q899-E906 PolarHBondContact NE2-OE1 2.82Å |
| 907 | I | 71.7 | Confident | 72.8 | Confident | 25 Ų | 25 | 75 Ų | 75 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.9 | 165.4 | -66.2 | -172.7 | 0 | 0 | 0 | 108 | I898 L900 | I898-I907 PolarHBondContact N-O 3.27Å; I898-I907 PolarHBondContact O-N 3.48Å; L900-I907 HydrophobicContact CD1-CD1 3.93Å; L900-I907 HydrophobicContact CD1-CG1 4.08Å; L900-I907 HydrophobicContact CD2-CD1 3.73Å; L900-I907 HydrophobicContact CD2-CG1 4.48Å; L900-I907 HydrophobicContact CG-CD1 3.96Å; L900-I907 HydrophobicContact CG-CG1 4.18Å |
| 908 | T | 80 | Confident | 73.2 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 27% | 0.27 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.1 | 166.2 | -55.7 | 0 | 0 | 0 | 0 | 109.3 | T896 N897 Y910 | T896-T908 WeakPolarHBondContact O-CA 3.16Å; N897-T908 PolarHBondContact OD1-OG1 2.82Å; T908-Y910 HydrophobicContact CG2-CE1 3.89Å; T908-Y910 HydrophobicContact CG2-CE2 4Å |
| 909 | I | 85 | Confident | 73.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.8 | 174.5 | -165.8 | 178.6 | 0 | 0 | 0 | 110.2 | S895 T896 I898 Y954 L957 F994 D1009 Y1011 | S895-I909 WeakPolarHBondContact CA-O 3.34Å; T896-I909 PolarHBondContact N-O 2.64Å; T896-I909 PolarHBondContact O-N 2.79Å; I898-I909 HydrophobicContact CD1-CG2 3.75Å; I898-I909 HydrophobicContact CG1-CG2 4.2Å; I909-Y954 HydrophobicContact CD1-CD1 4.32Å; I909-Y954 HydrophobicContact CD1-CD2 4Å; I909-Y954 HydrophobicContact CD1-CE1 4.23Å; I909-Y954 HydrophobicContact CD1-CE2 3.9Å; I909-Y954 HydrophobicContact CD1-CG 4.22Å; I909-L957 HydrophobicContact CD1-CD1 3.96Å; I909-L957 HydrophobicContact CG2-CD1 3.97Å; I909-F994 HydrophobicContact CD1-CD1 3.87Å; I909-F994 HydrophobicContact CD1-CE1 3.75Å; I909-D1009 WeakPolarHBondContact CA-O 3.08Å; I909-D1009 HydrophobicContact CD1-CB 4.25Å; I909-D1009 HydrophobicContact CG1-CB 3.97Å; I909-D1009 WeakPolarHBondContact CG1-O 3.38Å; I909-Y1011 HydrophobicContact CD1-CD1 4.01Å; I909-Y1011 HydrophobicContact CG1-CD1 4.08Å |
| 910 | Y | 86.9 | Confident | 73.9 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.1 | -168.8 | -63.3 | -81.9 | 0 | 0 | 0 | 112.9 | W889 V892 T908 T1008 D1009 G1010 Y1011 | W889-Y910 AromaticContact CD1-CD2 3.46Å; W889-Y910 VanDerWaalsContact CD1-CD2 3.46Å; W889-Y910 AromaticContact CD1-CG 3.88Å; W889-Y910 HydrophobicContact CG-CD2 4.47Å; V892-Y910 HydrophobicContact CG1-CD1 3.83Å; V892-Y910 HydrophobicContact CG2-CD1 4.1Å; V892-Y910 HydrophobicContact CG2-CG 4.46Å; T908-Y910 HydrophobicContact CG2-CE1 3.89Å; T908-Y910 HydrophobicContact CG2-CE2 4Å; Y910-T1008 HydrophobicContact CE2-CG2 4.19Å; Y910-D1009 PolarHBondContact N-O 3.18Å; Y910-G1010 CarbonylContact O-C 3.46Å; Y910-G1010 WeakPolarHBondContact O-CA 3.34Å; Y910-Y1011 PolarHBondContact O-N 3.29Å |
| 911 | Q | 88.8 | Confident | 74.8 | Confident | 33 Ų | 33 | 83.6 Ų | 83.6 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.6 | 169.6 | -168.2 | 166.3 | -98.3 | 0 | 0 | 109.6 | V893 E894 Y1011 | V893-Q911 HydrophobicContact CB-CB 4.36Å; V893-Q911 HydrophobicContact CB-CG 4.43Å; V893-Q911 PolarHBondContact N-O 2.73Å; E894-Q911 HydrophobicContact CG-CB 3.76Å; E894-Q911 PolarHBondContact O-N 3.3Å; E894-Q911 PolarHBondContact OE1-NE2 2.95Å; Q911-Y1011 HydrophobicContact CB-CE1 3.97Å; Q911-Y1011 HydrophobicContact CB-CE2 4.18Å; Q911-Y1011 HydrophobicContact CG-CD2 4.47Å; Q911-Y1011 HydrophobicContact CG-CE1 4.48Å; Q911-Y1011 HydrophobicContact CG-CE2 3.78Å; Q911-Y1011 PolarHBondContact OE1-OH 3.37Å |
| 912 | L | 88.5 | Confident | 75.8 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 151 | -177.9 | -48.7 | 178 | 0 | 0 | 0 | 110.1 | W889 V892 L930 Y1011 F1012 | W889-L912 HydrophobicContact CB-CD2 4.12Å; W889-L912 HydrophobicContact CD2-CD1 4.09Å; W889-L912 HydrophobicContact CD2-CD2 3.79Å; W889-L912 HydrophobicContact CE3-CD1 3.69Å; W889-L912 HydrophobicContact CE3-CD2 3.82Å; W889-L912 HydrophobicContact CE3-CG 4.43Å; W889-L912 HydrophobicContact CG-CD2 3.93Å; W889-L912 HydrophobicContact CH2-CD1 3.92Å; W889-L912 HydrophobicContact CZ2-CD1 4.27Å; W889-L912 HydrophobicContact CZ3-CD1 3.61Å; V892-L912 HydrophobicContact CG2-CD2 4.41Å; L912-L930 HydrophobicContact CD1-CD2 4.37Å; L912-Y1011 PolarHBondContact N-O 2.91Å; L912-F1012 HydrophobicContact CB-CB 4.31Å; L912-F1012 VanDerWaalsContact O-CB 3.23Å; L912-F1012 WeakPolarHBondContact O-CB 3.38Å |
| 913 | E | 85.1 | Confident | 76.8 | Confident | 146 Ų | 146 | 77 Ų | 77 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | trans | -125.4 | 86.8 | 171.1 | -173.2 | 175.7 | -174.4 | 0 | 0 | 109.3 | V893 I915 | V893-E913 HydrophobicContact CG2-CB 3.58Å; E913-I915 PolarHBondContact O-N 3.01Å | ||
| 914 | P | 86.6 | Confident | 78 | Confident | 15 Ų | 15 | 71 Ų | 71 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -62 | 127.2 | 179.9 | -23.1 | 34.3 | 0 | 0 | 0 | 111.5 | W916 L930 L978 F1012 | P914-W916 HydrophobicContact CB-CZ2 3.9Å; P914-W916 HydrophobicContact CG-CZ2 4.4Å; P914-W916 PolarHBondContact O-NE1 3.11Å; P914-L930 HydrophobicContact CG-CD2 4.34Å; P914-L978 HydrophobicContact CB-CD1 3.97Å; P914-L978 HydrophobicContact CG-CD1 4.07Å; P914-F1012 HydrophobicContact CG-CB 4.21Å; P914-F1012 HydrophobicContact CG-CD1 3.73Å; P914-F1012 HydrophobicContact CG-CD2 3.73Å; P914-F1012 HydrophobicContact CG-CE1 3.89Å; P914-F1012 HydrophobicContact CG-CE2 3.89Å; P914-F1012 HydrophobicContact CG-CG 3.64Å; P914-F1012 HydrophobicContact CG-CZ 3.98Å |
| 915 | I | 85.6 | Confident | 79.5 | Confident | 99 Ų | 99 | 65.9 Ų | 65.9 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 116 | -179.5 | -46.9 | 179.2 | 0 | 0 | 0 | 108.6 | E913 S928 I1021 | E913-I915 PolarHBondContact O-N 3.01Å; I915-S928 PolarHBondContact N-OG 2.94Å; I915-S928 VanDerWaalsContact O-CB 3.27Å; I915-S928 WeakPolarHBondContact O-CB 3.45Å; I915-S928 PolarHBondContact O-OG 3.09Å; I915-I1021 HydrophobicContact CG2-CD1 3.59Å; I915-I1021 HydrophobicContact CG2-CG1 3.51Å |
| 916 | W | 87.5 | Confident | 81.3 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 6% | 0.064 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -94.3 | 134.1 | -171 | -61.6 | 99.3 | 0 | 0 | 0 | 114.3 | P914 L926 R927 L970 L978 L980 F1012 I1018 T1020 I1021 | P914-W916 HydrophobicContact CB-CZ2 3.9Å; P914-W916 HydrophobicContact CG-CZ2 4.4Å; P914-W916 PolarHBondContact O-NE1 3.11Å; W916-L926 HydrophobicContact CB-CB 4.48Å; W916-L926 HydrophobicContact CB-CD1 4.4Å; W916-L926 HydrophobicContact CD2-CB 4.31Å; W916-L926 HydrophobicContact CE3-CB 3.68Å; W916-L926 HydrophobicContact CZ3-CB 4.36Å; W916-R927 CarbonylContact C-O 3.55Å; W916-R927 WeakPolarHBondContact CA-O 2.77Å; W916-L970 HydrophobicContact CH2-CD1 4.26Å; W916-L978 HydrophobicContact CH2-CB 4.09Å; W916-L978 HydrophobicContact CH2-CD1 4.2Å; W916-L978 HydrophobicContact CZ3-CB 4.14Å; W916-L980 HydrophobicContact CE3-CB 4.35Å; W916-L980 HydrophobicContact CH2-CB 3.73Å; W916-L980 HydrophobicContact CH2-CD2 4.16Å; W916-L980 HydrophobicContact CH2-CG 4.46Å; W916-L980 HydrophobicContact CZ2-CD2 4.22Å; W916-L980 HydrophobicContact CZ3-CB 3.59Å; W916-L980 HydrophobicContact CZ3-CD2 4.42Å; W916-F1012 AromaticContact CZ2-CE2 3.97Å; W916-F1012 HydrophobicContact CZ2-CE2 3.97Å; W916-F1012 HydrophobicContact CZ2-CZ 4.44Å; W916-I1018 HydrophobicContact CB-CG2 4.18Å; W916-I1018 HydrophobicContact CG-CG2 3.89Å; W916-T1020 HydrophobicContact CB-CG2 4.41Å; W916-T1020 CarbonylContact O-C 3.58Å; W916-T1020 WeakPolarHBondContact O-CA 3.15Å; W916-T1020 WeakPolarHBondContact O-CB 3.4Å; W916-I1021 PolarHBondContact O-N 2.66Å |
| 917 | E | 86.1 | Confident | 82.3 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 151.5 | 169.3 | -65.8 | -173.3 | -179.5 | 0 | 0 | 110.7 | L926 R927 I1021 | E917-L926 CarbonylContact O-C 3.19Å; E917-L926 WeakPolarHBondContact O-CA 3.22Å; E917-R927 PolarHBondContact N-O 2.85Å; E917-R927 PolarHBondContact O-N 3.08Å; E917-I1021 HydrophobicContact CG-CD1 3.72Å; E917-I1021 HydrophobicContact CG-CG1 4.19Å |
| 918 | I | 81.9 | Confident | 83.2 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127 | 179.3 | -56.9 | 173.4 | 0 | 0 | 0 | 109.4 | Q920 L926 T1020 L1024 V1026 | I918-Q920 PolarHBondContact O-N 2.83Å; I918-Q920 VanDerWaalsContact O-N 3.13Å; I918-L926 HydrophobicContact CB-CD2 4.34Å; I918-L926 HydrophobicContact CG1-CD2 3.81Å; I918-T1020 HydrophobicContact CD1-CG2 4.22Å; I918-T1020 HydrophobicContact CG1-CG2 3.82Å; I918-L1024 HydrophobicContact CD1-CB 3.79Å; I918-L1024 HydrophobicContact CD1-CD1 3.91Å; I918-V1026 HydrophobicContact CD1-CG2 3.82Å; I918-V1026 HydrophobicContact CG1-CG2 4.27Å |
| 919 | N | 78.9 | Confident | 83.7 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | trans | -66.2 | 112.7 | 169.7 | 179.7 | 3.3 | 0 | 0 | 0 | 109.9 | N921 S922 E925 | N919-N921 PolarHBondContact O-N 2.97Å; N919-N921 VanDerWaalsContact O-N 3.07Å; N919-N921 PolarHBondContact OD1-N 2.88Å; N919-S922 CarbonylContact O-C 3.59Å; N919-S922 PolarHBondContact O-N 2.83Å; N919-S922 VanDerWaalsContact O-O 3.13Å; N919-E925 HydrophobicContact CB-CB 4.01Å; N919-E925 HydrophobicContact CB-CG 4.26Å; N919-E925 WeakPolarHBondContact CB-O 3.16Å; N919-E925 PolarHBondContact N-O 2.82Å; N919-E925 VanDerWaalsContact ND2-CD 3.28Å; N919-E925 PolarHBondContact ND2-OE2 3.3Å | ||
| 920 | Q | 72.6 | Confident | 84 | Confident | 186 Ų | 186 | 61.5 Ų | 61.5 | 87% | 0.869 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.9 | -179.4 | -62.5 | -178.2 | 2.4 | 0 | 0 | 113.8 | I918 | I918-Q920 PolarHBondContact O-N 2.83Å; I918-Q920 VanDerWaalsContact O-N 3.13Å |
| 921 | N | 75.1 | Confident | 84.1 | Confident | 155 Ų | 155 | 63.3 Ų | 63.3 | 83% | 0.829 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -11.4 | 177.3 | -61.6 | -42.9 | 0 | 0 | 0 | 113.6 | N919 | N919-N921 PolarHBondContact O-N 2.97Å; N919-N921 VanDerWaalsContact O-N 3.07Å; N919-N921 PolarHBondContact OD1-N 2.88Å |
| 922 | S | 74.5 | Confident | 84.2 | Confident | 30 Ų | 30 | 63 Ų | 63 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | trans | -159.2 | 92.6 | -173.2 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | N919 I924 E925 | N919-S922 CarbonylContact O-C 3.59Å; N919-S922 PolarHBondContact O-N 2.83Å; N919-S922 VanDerWaalsContact O-O 3.13Å; S922-I924 PolarHBondContact O-N 3.02Å; S922-I924 VanDerWaalsContact O-N 3.09Å; S922-I924 WeakPolarHBondContact OG-CG1 3.22Å; S922-E925 PolarHBondContact O-N 3.11Å | ||
| 923 | P | 70.1 | Confident | 84.2 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 56% | 0.558 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10.6 | -176.3 | 26.7 | -34.6 | 0 | 0 | 0 | 114.2 | E925 | P923-E925 VanDerWaalsContact C-N 3.28Š|
| 924 | I | 78.9 | Confident | 84.5 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.7 | 168.4 | 56.5 | 170 | 0 | 0 | 0 | 113.5 | S922 Y981 I982 D983 L1031 | S922-I924 PolarHBondContact O-N 3.02Å; S922-I924 VanDerWaalsContact O-N 3.09Å; S922-I924 WeakPolarHBondContact OG-CG1 3.22Å; I924-Y981 WeakPolarHBondContact O-CA 3.27Å; I924-I982 HydrophobicContact CB-CG1 4.45Å; I924-I982 PolarHBondContact O-N 3.48Å; I924-D983 HydrophobicContact CB-CB 4.46Å; I924-D983 HydrophobicContact CG2-CB 4.13Å; I924-L1031 HydrophobicContact CG2-CD2 3.55Å |
| 925 | E | 86.7 | Confident | 84.6 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 108.4 | -178.3 | -174.8 | -167 | 150.5 | 0 | 0 | 110.2 | N919 S922 P923 R927 K979 L980 Y981 | N919-E925 HydrophobicContact CB-CB 4.01Å; N919-E925 HydrophobicContact CB-CG 4.26Å; N919-E925 WeakPolarHBondContact CB-O 3.16Å; N919-E925 PolarHBondContact N-O 2.82Å; N919-E925 VanDerWaalsContact ND2-CD 3.28Å; N919-E925 PolarHBondContact ND2-OE2 3.3Å; S922-E925 PolarHBondContact O-N 3.11Å; P923-E925 VanDerWaalsContact C-N 3.28Å; E925-R927 IonicContact OE1-CZ 3.15Å; E925-R927 IonicContact OE1-NE 2.73Å; E925-R927 PolarHBondContact OE1-NE 2.85Å; E925-R927 IonicContact OE1-NH2 2.72Å; E925-R927 PolarHBondContact OE1-NH2 2.89Å; E925-R927 IonicContact OE2-NH2 3.91Å; E925-K979 HydrophobicContact CG-CB 4.3Å; E925-L980 WeakPolarHBondContact CA-O 3.4Å; E925-Y981 HydrophobicContact CB-CD1 4.33Å; E925-Y981 HydrophobicContact CB-CE1 4.1Å; E925-Y981 HydrophobicContact CG-CD1 4.43Å; E925-Y981 HydrophobicContact CG-CE1 3.88Å |
| 926 | L | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 146.6 | 166.6 | -58.6 | -177 | 0 | 0 | 0 | 109.8 | W916 E917 I918 K979 L980 I982 I1018 T1020 V1026 | W916-L926 HydrophobicContact CB-CB 4.48Å; W916-L926 HydrophobicContact CB-CD1 4.4Å; W916-L926 HydrophobicContact CD2-CB 4.31Å; W916-L926 HydrophobicContact CE3-CB 3.68Å; W916-L926 HydrophobicContact CZ3-CB 4.36Å; E917-L926 CarbonylContact O-C 3.19Å; E917-L926 WeakPolarHBondContact O-CA 3.22Å; I918-L926 HydrophobicContact CB-CD2 4.34Å; I918-L926 HydrophobicContact CG1-CD2 3.81Å; L926-K979 CarbonylContact O-C 3.59Å; L926-K979 WeakPolarHBondContact O-CA 2.86Å; L926-L980 HydrophobicContact CB-CB 4.38Å; L926-L980 PolarHBondContact N-O 2.7Å; L926-L980 PolarHBondContact O-N 2.81Å; L926-I982 HydrophobicContact CD1-CG2 3.9Å; L926-I982 HydrophobicContact CG-CG2 4.06Å; L926-I1018 HydrophobicContact CD1-CB 3.83Å; L926-I1018 HydrophobicContact CD1-CD1 3.84Å; L926-I1018 HydrophobicContact CD1-CG1 4.46Å; L926-I1018 HydrophobicContact CD1-CG2 3.57Å; L926-T1020 HydrophobicContact CD2-CG2 4.07Å; L926-V1026 HydrophobicContact CD2-CG2 4.44Å |
| 927 | R | 90 | Very high | 84.9 | Confident | 106 Ų | 106 | 66 Ų | 66 | 40% | 0.4 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.9 | -179.9 | -64.8 | -170.6 | 169.9 | -162.5 | -3.5 | 111.4 | W916 E917 E925 L978 K979 | W916-R927 CarbonylContact C-O 3.55Å; W916-R927 WeakPolarHBondContact CA-O 2.77Å; E917-R927 PolarHBondContact N-O 2.85Å; E917-R927 PolarHBondContact O-N 3.08Å; E925-R927 IonicContact OE1-CZ 3.15Å; E925-R927 IonicContact OE1-NE 2.73Å; E925-R927 PolarHBondContact OE1-NE 2.85Å; E925-R927 IonicContact OE1-NH2 2.72Å; E925-R927 PolarHBondContact OE1-NH2 2.89Å; E925-R927 IonicContact OE2-NH2 3.91Å; R927-L978 WeakPolarHBondContact CA-O 3.22Å; R927-K979 HydrophobicContact CG-CG 4.38Å |
| 928 | S | 90.8 | Very high | 85 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 167.4 | 168.6 | -163.1 | 0 | 0 | 0 | 0 | 110.3 | I915 L978 | I915-S928 PolarHBondContact N-OG 2.94Å; I915-S928 VanDerWaalsContact O-CB 3.27Å; I915-S928 WeakPolarHBondContact O-CB 3.45Å; I915-S928 PolarHBondContact O-OG 3.09Å; S928-L978 PolarHBondContact N-O 2.89Å; S928-L978 PolarHBondContact O-N 3.47Å |
| 929 | Q | 90.3 | Very high | 85.1 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 113.7 | 177.4 | 177.4 | 61.5 | 54.1 | 0 | 0 | 109 | N975 G976 | Q929-N975 PolarHBondContact NE2-O 3.11Å; Q929-G976 PolarHBondContact NE2-O 3.31Å |
| 930 | L | 90.9 | Very high | 85.6 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | trans | -72.7 | 145.3 | 171.9 | -63.1 | 176.4 | 0 | 0 | 0 | 110.1 | W889 L912 P914 M945 L972 G976 L978 I995 | W889-L930 HydrophobicContact CH2-CD1 4.39Å; W889-L930 HydrophobicContact CZ3-CB 4.21Å; W889-L930 HydrophobicContact CZ3-CD1 4.04Å; W889-L930 HydrophobicContact CZ3-CG 4.49Å; L912-L930 HydrophobicContact CD1-CD2 4.37Å; P914-L930 HydrophobicContact CG-CD2 4.34Å; L930-M945 HydrophobicContact CB-CE 4.43Å; L930-M945 HydrophobicContact CB-SD 4.09Å; L930-M945 HydrophobicContact CD1-SD 4.21Å; L930-L972 HydrophobicContact CD1-CD1 4.26Å; L930-G976 PolarHBondContact N-O 3.48Å; L930-L978 HydrophobicContact CD1-CD1 4Å; L930-L978 HydrophobicContact CD1-CD2 4.27Å; L930-L978 HydrophobicContact CD1-CG 4.14Å; L930-L978 HydrophobicContact CD2-CD1 3.86Å; L930-L978 HydrophobicContact CG-CD1 3.76Å; L930-L978 HydrophobicContact CG-CG 4.09Å; L930-I995 HydrophobicContact CD1-CD1 3.66Å; L930-I995 HydrophobicContact CD1-CG2 4.46Å | ||
| 931 | K | 88.4 | Confident | 86.4 | Confident | 96 Ų | 96 | 57.7 Ų | 57.7 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | trans | -122.6 | 122.5 | 177.8 | -61.7 | -167.4 | -140.7 | 87.2 | 0 | 109.9 | H890 D891 | H890-K931 HydrophobicContact CB-CB 3.69Å; H890-K931 WeakPolarHBondContact CB-O 3.32Å; H890-K931 PolarHBondContact N-O 2.83Å; D891-K931 VanDerWaalsContact CG-NZ 3.34Å; D891-K931 IonicContact OD1-NZ 3.85Å; D891-K931 PolarHBondContact OD1-NZ 3.32Å; D891-K931 IonicContact OD2-NZ 2.67Å; D891-K931 PolarHBondContact OD2-NZ 3.29Å | ||
| 932 | V | 90.2 | Very high | 87.1 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.6 | 174.5 | -171.3 | 0 | 0 | 0 | 0 | 106.9 | P887 R888 W889 L943 M945 V997 | P887-V932 HydrophobicContact CB-CG1 4.01Å; R888-V932 WeakPolarHBondContact O-CA 3.46Å; R888-V932 VanDerWaalsContact O-CG1 3.28Å; R888-V932 WeakPolarHBondContact O-CG1 3.45Å; W889-V932 HydrophobicContact CD2-CG2 3.94Å; W889-V932 HydrophobicContact CE3-CG2 3.43Å; W889-V932 VanDerWaalsContact CE3-CG2 3.43Å; W889-V932 HydrophobicContact CH2-CG2 4.12Å; W889-V932 HydrophobicContact CZ3-CG2 3.52Å; V932-L943 HydrophobicContact CB-CD1 3.73Å; V932-L943 HydrophobicContact CG1-CD1 3.51Å; V932-M945 HydrophobicContact CB-CE 4.09Å; V932-M945 HydrophobicContact CG2-CE 3.58Å; V932-M945 HydrophobicContact CG2-SD 4.43Å; V932-V997 HydrophobicContact CB-CG1 4.47Å; V932-V997 HydrophobicContact CB-CG2 4.17Å; V932-V997 HydrophobicContact CG1-CB 4.32Å; V932-V997 HydrophobicContact CG1-CG1 3.73Å; V932-V997 HydrophobicContact CG1-CG2 3.82Å; V932-V997 HydrophobicContact CG2-CB 4.19Å; V932-V997 HydrophobicContact CG2-CG1 3.97Å; V932-V997 HydrophobicContact CG2-CG2 4.08Å |
| 933 | Y | 90.2 | Very high | 87.9 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.3 | 171 | 64.7 | -81.9 | 0 | 0 | 0 | 109.4 | R888 L935 | R888-Y933 HydrophobicContact CB-CD1 4.3Å; R888-Y933 HydrophobicContact CB-CD2 4.45Å; R888-Y933 HydrophobicContact CB-CE1 3.76Å; R888-Y933 HydrophobicContact CB-CE2 3.94Å; R888-Y933 HydrophobicContact CG-CE2 4.41Å; R888-Y933 PolarHBondContact N-O 3.49Å; R888-Y933 WeakPolarHBondContact O-CD1 3.42Å; R888-Y933 WeakPolarHBondContact O-CE1 3.46Å; R888-Y933 PolarHBondContact O-N 3.28Å; Y933-L935 HydrophobicContact CD2-CD2 4.13Å; Y933-L935 HydrophobicContact CE2-CD2 4.03Å; Y933-L935 HydrophobicContact CE2-CG 4.44Å |
| 934 | D | 90.1 | Very high | 88.9 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | trans | -112 | 170.3 | 164.1 | -134.6 | -57 | 0 | 0 | 0 | 110.6 | P887 A941 L943 | P887-D934 VanDerWaalsContact CA-OD2 3.22Å; P887-D934 WeakPolarHBondContact CA-OD2 3.47Å; P887-D934 WeakPolarHBondContact CD-OD2 3.2Å; P887-D934 VanDerWaalsContact CG-OD2 3.22Å; P887-D934 WeakPolarHBondContact CG-OD2 3.32Å; D934-A941 HydrophobicContact CB-CB 4.02Å; D934-L943 HydrophobicContact CB-CD2 4.24Å | ||
| 935 | L | 90.3 | Very high | 89.6 | Confident | 71 Ų | 71 | 51.9 Ų | 51.9 | 37% | 0.372 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -108.1 | -30.2 | 175.9 | -63.6 | -178.9 | 0 | 0 | 0 | 112.8 | E849 N885 Y933 | E849-L935 HydrophobicContact CG-CB 3.92Å; N885-L935 HydrophobicContact CB-CB 3.93Å; Y933-L935 HydrophobicContact CD2-CD2 4.13Å; Y933-L935 HydrophobicContact CE2-CD2 4.03Å; Y933-L935 HydrophobicContact CE2-CG 4.44Å |
| 936 | D | 90.6 | Very high | 89.8 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -62 | -168.4 | -180 | -62.2 | -3.6 | 0 | 0 | 0 | 112.9 | N883 D884 N885 N940 A941 | N883-D936 WeakPolarHBondContact CA-OD2 3.29Å; D884-D936 PolarHBondContact N-OD2 2.65Å; N885-D936 WeakPolarHBondContact CB-OD1 3.23Å; N885-D936 PolarHBondContact N-OD1 2.88Å; N885-D936 PolarHBondContact N-OD2 2.79Å; N885-D936 PolarHBondContact ND2-OD1 2.98Å; D936-N940 HydrophobicContact CB-CB 3.89Å; D936-A941 HydrophobicContact CB-CB 4.49Å; D936-A941 WeakPolarHBondContact O-CB 3.5Å |
| 937 | F | 88.7 | Confident | 89.9 | Confident | 141 Ų | 141 | 59.4 Ų | 59.4 | 62% | 0.618 | 29% | 0.292 | S | S | * | . | trans | -123.6 | 169.8 | -179.4 | -168.4 | -107.3 | 0 | 0 | 0 | 114.9 | D881 D939 N940 A941 | D881-F937 HydrophobicContact CB-CB 4.18Å; D881-F937 PolarHBondContact OD1-N 2.6Å; D881-F937 WeakPolarHBondContact OD2-CA 3.23Å; D881-F937 WeakPolarHBondContact OD2-CB 3.38Å; D881-F937 PolarHBondContact OD2-N 3.21Å; F937-D939 PolarHBondContact O-N 2.85Å; F937-N940 WeakPolarHBondContact O-CA 3.3Å; F937-N940 WeakPolarHBondContact O-CB 3.49Å; F937-N940 PolarHBondContact O-N 2.83Å; F937-A941 PolarHBondContact O-N 3.43Å | ||
| 938 | G | 87.9 | Confident | 89.8 | Confident | 49 Ų | 49 | 56 Ų | 56 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -123.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 939 | D | 84.5 | Confident | 89.5 | Confident | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -20.1 | 175.1 | -72.3 | -63.3 | 0 | 0 | 0 | 113 | F937 A941 K942 Q1000 G1001 | F937-D939 PolarHBondContact O-N 2.85Å; D939-A941 VanDerWaalsContact C-N 3.33Å; D939-K942 HydrophobicContact CB-CD 4.39Å; D939-K942 WeakPolarHBondContact O-CB 3.27Å; D939-K942 PolarHBondContact O-N 2.68Å; D939-K942 WeakPolarHBondContact OD1-CD 3.3Å; D939-K942 WeakPolarHBondContact OD1-CE 3.45Å; D939-K942 IonicContact OD1-NZ 3.65Å; D939-K942 PolarHBondContact OD1-NZ 2.75Å; D939-Q1000 CarbonylContact O-C 3.58Å; D939-Q1000 PolarHBondContact O-N 3.3Å; D939-G1001 PolarHBondContact O-N 2.86Å |
| 940 | N | 88.6 | Confident | 88.8 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -31.1 | 174.1 | -60.7 | -30.3 | 0 | 0 | 0 | 111.4 | D881 N883 D936 F937 D999 G1001 | D881-N940 VanDerWaalsContact CG-ND2 3.3Å; D881-N940 PolarHBondContact OD2-ND2 3.36Å; N883-N940 HydrophobicContact CB-CB 3.9Å; N883-N940 PolarHBondContact N-ND2 2.85Å; D936-N940 HydrophobicContact CB-CB 3.89Å; F937-N940 WeakPolarHBondContact O-CA 3.3Å; F937-N940 WeakPolarHBondContact O-CB 3.49Å; F937-N940 PolarHBondContact O-N 2.83Å; N940-D999 WeakPolarHBondContact O-CB 3.43Å; N940-G1001 VanDerWaalsContact OD1-CA 3.24Å; N940-G1001 WeakPolarHBondContact OD1-CA 3.26Å |
| 941 | A | 88.4 | Confident | 87.9 | Confident | 31 Ų | 31 | 63 Ų | 63 | 26% | 0.256 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 5.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D934 D936 F937 D939 L943 | D934-A941 HydrophobicContact CB-CB 4.02Å; D936-A941 HydrophobicContact CB-CB 4.49Å; D936-A941 WeakPolarHBondContact O-CB 3.5Å; F937-A941 PolarHBondContact O-N 3.43Å; D939-A941 VanDerWaalsContact C-N 3.33Å; A941-L943 PolarHBondContact O-N 3.43Å |
| 942 | K | 90.3 | Very high | 87.3 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | trans | -94.8 | 96.4 | -162.8 | -178.5 | -178.6 | 177.5 | -172.8 | 0 | 111.8 | D939 D999 Q1000 | D939-K942 HydrophobicContact CB-CD 4.39Å; D939-K942 WeakPolarHBondContact O-CB 3.27Å; D939-K942 PolarHBondContact O-N 2.68Å; D939-K942 WeakPolarHBondContact OD1-CD 3.3Å; D939-K942 WeakPolarHBondContact OD1-CE 3.45Å; D939-K942 IonicContact OD1-NZ 3.65Å; D939-K942 PolarHBondContact OD1-NZ 2.75Å; K942-D999 CarbonylContact O-C 3.59Å; K942-D999 WeakPolarHBondContact O-CA 3.12Å; K942-Q1000 HydrophobicContact CB-CB 4.25Å; K942-Q1000 HydrophobicContact CB-CG 4.5Å; K942-Q1000 HydrophobicContact CD-CB 4.23Å; K942-Q1000 HydrophobicContact CD-CG 4.38Å; K942-Q1000 HydrophobicContact CG-CB 4.42Å; K942-Q1000 HydrophobicContact CG-CG 4.3Å; K942-Q1000 VanDerWaalsContact O-CG 3.29Å; K942-Q1000 WeakPolarHBondContact O-CG 3.23Å; K942-Q1000 PolarHBondContact O-N 3.41Å | ||
| 943 | L | 91.4 | Very high | 86.5 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | trans | -78.2 | 145.8 | -169.8 | -53.7 | -176.1 | 0 | 0 | 0 | 114.8 | P887 V932 D934 A941 V997 Q998 D999 | P887-L943 HydrophobicContact CB-CD2 3.66Å; P887-L943 HydrophobicContact CG-CD2 3.56Å; V932-L943 HydrophobicContact CB-CD1 3.73Å; V932-L943 HydrophobicContact CG1-CD1 3.51Å; D934-L943 HydrophobicContact CB-CD2 4.24Å; A941-L943 PolarHBondContact O-N 3.43Å; L943-V997 HydrophobicContact CB-CG2 4.04Å; L943-V997 HydrophobicContact CD1-CG2 4.17Å; L943-V997 HydrophobicContact CD2-CG2 4.29Å; L943-V997 HydrophobicContact CG-CG2 4.41Å; L943-Q998 CarbonylContact C-O 3.53Å; L943-Q998 WeakPolarHBondContact CA-O 3.19Å; L943-D999 HydrophobicContact CD2-CB 4.42Å | ||
| 944 | Q | 90.9 | Very high | 86.1 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.2 | 165.2 | -63.6 | -178.5 | 17.1 | 0 | 0 | 109.8 | Y946 V997 Q998 Q1000 | Q944-Y946 HydrophobicContact CB-CE2 3.89Å; Q944-Y946 PolarHBondContact OE1-OH 2.91Å; Q944-V997 WeakPolarHBondContact O-CA 3.47Å; Q944-Q998 PolarHBondContact N-O 2.75Å; Q944-Q998 PolarHBondContact O-N 2.96Å; Q944-Q1000 HydrophobicContact CG-CG 4.32Å |
| 945 | M | 92.9 | Very high | 85.4 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.069 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 140.9 | -179.5 | -55 | -168 | -162.7 | 0 | 0 | 112.7 | L930 V932 L972 I974 G976 I995 R996 V997 | L930-M945 HydrophobicContact CB-CE 4.43Å; L930-M945 HydrophobicContact CB-SD 4.09Å; L930-M945 HydrophobicContact CD1-SD 4.21Å; V932-M945 HydrophobicContact CB-CE 4.09Å; V932-M945 HydrophobicContact CG2-CE 3.58Å; V932-M945 HydrophobicContact CG2-SD 4.43Å; M945-L972 HydrophobicContact CB-CD1 4.33Å; M945-L972 HydrophobicContact CB-CD2 4.04Å; M945-L972 HydrophobicContact CB-CG 4.44Å; M945-I974 PolarHBondContact N-O 2.84Å; M945-G976 WeakPolarHBondContact SD-CA 3.5Å; M945-I995 HydrophobicContact CB-CG2 4.45Å; M945-R996 WeakPolarHBondContact CA-O 3.35Å; M945-V997 HydrophobicContact CE-CG2 4.47Å; M945-V997 HydrophobicContact CG-CB 4.14Å; M945-V997 HydrophobicContact CG-CG2 3.92Å |
| 946 | Y | 91.5 | Very high | 84.7 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.5 | -176 | -56.6 | -84.2 | 0 | 0 | 0 | 111.3 | Q944 I995 R996 Q998 | Q944-Y946 HydrophobicContact CB-CE2 3.89Å; Q944-Y946 PolarHBondContact OE1-OH 2.91Å; Y946-I995 CarbonylContact O-C 3.56Å; Y946-I995 VanDerWaalsContact O-CA 3.26Å; Y946-I995 WeakPolarHBondContact O-CA 3.28Å; Y946-I995 WeakPolarHBondContact O-CG2 3.23Å; Y946-R996 PolarHBondContact N-O 2.88Å; Y946-R996 PolarHBondContact O-N 3.26Å; Y946-Q998 HydrophobicContact CE2-CB 4.48Å |
| 947 | I | 90.4 | Very high | 84.1 | Confident | 81 Ų | 81 | 69.7 Ų | 69.7 | 42% | 0.415 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 134.7 | 163.4 | -59.3 | 173.9 | 0 | 0 | 0 | 107.6 | L970 L972 F994 | I947-L970 HydrophobicContact CD1-CD2 3.99Å; I947-L970 HydrophobicContact CD1-CG 4.5Å; I947-L972 HydrophobicContact CD1-CB 4.08Å; I947-L972 HydrophobicContact CG1-CB 4.03Å; I947-L972 HydrophobicContact CG1-CD2 3.83Å; I947-F994 WeakPolarHBondContact CA-O 3.41Å |
| 948 | I | 89.2 | Confident | 83.6 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 18% | 0.179 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 153.7 | 179.4 | 63.7 | 171.9 | 0 | 0 | 0 | 111.2 | Y954 F994 R996 D1009 | I948-Y954 HydrophobicContact CD1-CE2 4.26Å; I948-F994 HydrophobicContact CD1-CB 4.23Å; I948-F994 HydrophobicContact CG1-CB 3.58Å; I948-F994 PolarHBondContact N-O 2.99Å; I948-R996 HydrophobicContact CD1-CB 4.35Å; I948-R996 HydrophobicContact CG2-CB 3.69Å; I948-D1009 HydrophobicContact CD1-CB 4.36Å |
| 949 | E | 83.9 | Confident | 82.9 | Confident | 163 Ų | 163 | 64.2 Ų | 64.2 | 76% | 0.762 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 145.7 | 167.5 | -64.6 | -168.2 | 153.5 | 0 | 0 | 110.4 | N951 | E949-N951 PolarHBondContact O-N 3.26Š|
| 950 | P | 75.6 | Confident | 82.4 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 120.6 | 177.9 | 26.3 | -33 | 0 | 0 | 0 | 111.8 | I958 Y992 F994 | P950-I958 HydrophobicContact CB-CD1 4.27Å; P950-I958 HydrophobicContact CG-CD1 4.28Å; P950-Y992 HydrophobicContact CG-CE2 4.15Å; P950-F994 HydrophobicContact CB-CD2 3.93Å; P950-F994 HydrophobicContact CB-CE2 3.7Å; P950-F994 HydrophobicContact CB-CZ 4.1Å; P950-F994 HydrophobicContact CG-CD2 4.33Å; P950-F994 HydrophobicContact CG-CE2 4.22Å |
| 951 | N | 72.5 | Confident | 81.7 | Confident | 78 Ų | 78 | 78.4 Ų | 78.4 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -55 | 157.6 | 166 | -73.7 | -23.8 | 0 | 0 | 0 | 111.1 | E949 E953 Y954 Q955 | E949-N951 PolarHBondContact O-N 3.26Å; N951-E953 PolarHBondContact O-N 3.48Å; N951-Y954 HydrophobicContact CB-CD2 4.39Å; N951-Y954 HydrophobicContact CB-CG 4.34Å; N951-Y954 WeakPolarHBondContact O-CB 3.41Å; N951-Y954 PolarHBondContact O-N 2.87Å; N951-Q955 PolarHBondContact O-N 3.05Å |
| 952 | H | 74.6 | Confident | 81.3 | Confident | 154 Ų | 154 | 78.7 Ų | 78.7 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -34.9 | -178.9 | -175.7 | -78.2 | 0 | 0 | 0 | 113.1 | Q955 | H952-Q955 WeakPolarHBondContact O-CB 3.42Å; H952-Q955 WeakPolarHBondContact O-CG 3.22Å; H952-Q955 PolarHBondContact O-N 3.3Å |
| 953 | E | 75.2 | Confident | 81.1 | Confident | 43 Ų | 43 | 78.2 Ų | 78.2 | 20% | 0.201 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -23.2 | 179.2 | -64.4 | 148.2 | 144 | 0 | 0 | 113.1 | I898 L900 Y901 N951 Q955 Q956 | I898-E953 HydrophobicContact CG2-CB 3.9Å; L900-E953 WeakPolarHBondContact CB-OE1 3.46Å; L900-E953 WeakPolarHBondContact CB-OE2 3.16Å; L900-E953 VanDerWaalsContact CD2-OE2 3.26Å; L900-E953 WeakPolarHBondContact CD2-OE2 3.24Å; Y901-E953 PolarHBondContact N-OE1 2.77Å; N951-E953 PolarHBondContact O-N 3.48Å; E953-Q955 PolarHBondContact O-N 2.84Å; E953-Q956 VanDerWaalsContact O-CG 3.27Å; E953-Q956 WeakPolarHBondContact O-CG 3.15Å |
| 954 | Y | 80 | Confident | 80.9 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -73.9 | -16.2 | 174.1 | -64.2 | -2 | 0 | 0 | 0 | 111.7 | I898 I909 I948 N951 Q956 L957 F994 D1009 | I898-Y954 HydrophobicContact CD1-CD1 3.8Å; I898-Y954 HydrophobicContact CD1-CE1 4.23Å; I909-Y954 HydrophobicContact CD1-CD1 4.32Å; I909-Y954 HydrophobicContact CD1-CD2 4Å; I909-Y954 HydrophobicContact CD1-CE1 4.23Å; I909-Y954 HydrophobicContact CD1-CE2 3.9Å; I909-Y954 HydrophobicContact CD1-CG 4.22Å; I948-Y954 HydrophobicContact CD1-CE2 4.26Å; N951-Y954 HydrophobicContact CB-CD2 4.39Å; N951-Y954 HydrophobicContact CB-CG 4.34Å; N951-Y954 WeakPolarHBondContact O-CB 3.41Å; N951-Y954 PolarHBondContact O-N 2.87Å; Y954-Q956 PolarHBondContact O-N 3.05Å; Y954-Q956 VanDerWaalsContact O-N 3.15Å; Y954-L957 WeakPolarHBondContact O-CB 3.19Å; Y954-L957 PolarHBondContact O-N 2.85Å; Y954-F994 AromaticContact CD2-CD1 3.82Å; Y954-F994 HydrophobicContact CD2-CD1 3.82Å; Y954-F994 AromaticContact CD2-CE1 3.84Å; Y954-F994 HydrophobicContact CD2-CE1 3.84Å; Y954-F994 HydrophobicContact CE2-CD1 4.46Å; Y954-F994 HydrophobicContact CG-CE1 4.13Å; Y954-D1009 HydrophobicContact CE2-CB 4.43Å; Y954-D1009 PolarHBondContact OH-OD2 3.25Å |
| 955 | Q | 75.2 | Confident | 80.7 | Confident | 107 Ų | 107 | 78.3 Ų | 78.3 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -60.7 | -22.5 | 176.1 | -59.4 | -176.5 | 7.1 | 0 | 0 | 113.1 | N951 H952 E953 L957 I958 | N951-Q955 PolarHBondContact O-N 3.05Å; H952-Q955 WeakPolarHBondContact O-CB 3.42Å; H952-Q955 WeakPolarHBondContact O-CG 3.22Å; H952-Q955 PolarHBondContact O-N 3.3Å; E953-Q955 PolarHBondContact O-N 2.84Å; Q955-L957 PolarHBondContact O-N 3.46Å; Q955-I958 PolarHBondContact O-N 3.4Å; Q955-I958 VanDerWaalsContact O-N 3.13Å |
| 956 | Q | 77.4 | Confident | 80.4 | Confident | 134 Ų | 134 | 80 Ų | 80 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -69.6 | -16.7 | 176.1 | 78.7 | -168.1 | -12.5 | 0 | 0 | 114 | E953 Y954 I958 | E953-Q956 VanDerWaalsContact O-CG 3.27Å; E953-Q956 WeakPolarHBondContact O-CG 3.15Å; Y954-Q956 PolarHBondContact O-N 3.05Å; Y954-Q956 VanDerWaalsContact O-N 3.15Å; Q956-I958 VanDerWaalsContact C-N 3.3Å |
| 957 | L | 76.5 | Confident | 79.8 | Confident | 32 Ų | 32 | 82.9 Ų | 82.9 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -81 | -12.9 | 173.5 | -57.5 | 171 | 0 | 0 | 0 | 112.4 | T896 I898 I909 Y954 Q955 F994 Y1011 | T896-L957 HydrophobicContact CG2-CD2 4.2Å; I898-L957 HydrophobicContact CD1-CD1 4.05Å; I898-L957 HydrophobicContact CD1-CD2 4.42Å; I898-L957 HydrophobicContact CD1-CG 4.25Å; I909-L957 HydrophobicContact CD1-CD1 3.96Å; I909-L957 HydrophobicContact CG2-CD1 3.97Å; Y954-L957 WeakPolarHBondContact O-CB 3.19Å; Y954-L957 PolarHBondContact O-N 2.85Å; Q955-L957 PolarHBondContact O-N 3.46Å; L957-F994 HydrophobicContact CD1-CE1 4.02Å; L957-F994 HydrophobicContact CD1-CZ 4.36Å; L957-Y1011 HydrophobicContact CD1-CD1 4.06Å; L957-Y1011 HydrophobicContact CD1-CE1 3.89Å |
| 958 | I | 79.2 | Confident | 79.5 | Confident | 39 Ų | 39 | 85.5 Ų | 85.5 | 20% | 0.2 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -102.1 | 117.5 | -167.1 | -52.5 | 175.8 | 0 | 0 | 0 | 109.7 | P950 Q955 Q956 Q962 Y992 F994 | P950-I958 HydrophobicContact CB-CD1 4.27Å; P950-I958 HydrophobicContact CG-CD1 4.28Å; Q955-I958 PolarHBondContact O-N 3.4Å; Q955-I958 VanDerWaalsContact O-N 3.13Å; Q956-I958 VanDerWaalsContact C-N 3.3Å; I958-Q962 HydrophobicContact CG2-CB 4Å; I958-Y992 HydrophobicContact CD1-CD1 4.42Å; I958-Y992 HydrophobicContact CD1-CD2 4.34Å; I958-Y992 HydrophobicContact CD1-CE1 3.95Å; I958-Y992 HydrophobicContact CD1-CE2 3.88Å; I958-Y992 HydrophobicContact CG1-CE1 4.41Å; I958-Y992 HydrophobicContact CG2-CD1 3.77Å; I958-Y992 HydrophobicContact CG2-CE1 3.51Å; I958-F994 HydrophobicContact CD1-CE2 4.04Å; I958-F994 HydrophobicContact CD1-CZ 4.28Å; I958-F994 HydrophobicContact CG1-CE2 4.45Å; I958-F994 HydrophobicContact CG1-CZ 4.35Å |
| 959 | G | 74 | Confident | 79.5 | Confident | 35 Ų | 35 | 83.9 Ų | 83.9 | 36% | 0.361 | 42% | 0.415 | S | S | . | . | trans | -69.6 | 149.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N961 Q962 | G959-N961 PolarHBondContact O-N 2.65Å; G959-Q962 WeakPolarHBondContact O-CB 3.28Å; G959-Q962 PolarHBondContact O-N 2.93Å | ||
| 960 | R | 73.2 | Confident | 79.9 | Confident | 253 Ų | 253 | 76.9 Ų | 76.9 | 96% | 0.955 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -16.2 | -176.3 | -74.2 | -173.5 | 175 | -174.2 | -1.5 | 116.6 | ||
| 961 | N | 73.1 | Confident | 80.6 | Confident | 134 Ų | 134 | 80.7 Ų | 80.7 | 72% | 0.717 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 18 | -178.4 | -62 | 6.6 | 0 | 0 | 0 | 112.3 | G959 F963 | G959-N961 PolarHBondContact O-N 2.65Å; N961-F963 WeakPolarHBondContact O-CE2 3.49Å |
| 962 | Q | 81.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 78.2 Ų | 78.2 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 140.6 | 178.7 | -64.1 | 176.7 | -23.2 | 0 | 0 | 110.7 | I958 G959 Q990 Y992 F1013 | I958-Q962 HydrophobicContact CG2-CB 4Å; G959-Q962 WeakPolarHBondContact O-CB 3.28Å; G959-Q962 PolarHBondContact O-N 2.93Å; Q962-Q990 CarbonylContact C-O 3.55Å; Q962-Q990 VanDerWaalsContact CA-O 3.27Å; Q962-Q990 WeakPolarHBondContact CA-O 3.47Å; Q962-Q990 HydrophobicContact CG-CB 4.26Å; Q962-Q990 HydrophobicContact CG-CG 4.24Å; Q962-Q990 VanDerWaalsContact NE2-CD 3.3Å; Q962-Y992 HydrophobicContact CB-CD1 4.09Å; Q962-F1013 VanDerWaalsContact CD-CE1 3.46Å |
| 963 | F | 85.7 | Confident | 82.3 | Confident | 92 Ų | 92 | 71.4 Ų | 71.4 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148.5 | -171.8 | -67 | -93.8 | 0 | 0 | 0 | 111.4 | N961 L965 Y989 Q990 Y991 Y992 | N961-F963 WeakPolarHBondContact O-CE2 3.49Å; F963-L965 PolarHBondContact O-N 2.87Å; F963-Y989 AromaticContact CD2-CD1 3.66Å; F963-Y989 HydrophobicContact CD2-CD1 3.66Å; F963-Y989 HydrophobicContact CD2-CE1 4.31Å; F963-Y989 AromaticContact CD2-CG 3.84Å; F963-Y989 HydrophobicContact CD2-CG 3.84Å; F963-Y989 AromaticContact CE2-CD1 3.29Å; F963-Y989 HydrophobicContact CE2-CD1 3.29Å; F963-Y989 AromaticContact CE2-CE1 3.6Å; F963-Y989 HydrophobicContact CE2-CE1 3.6Å; F963-Y989 AromaticContact CE2-CG 3.97Å; F963-Y989 HydrophobicContact CE2-CG 3.97Å; F963-Y989 HydrophobicContact CZ-CD1 4Å; F963-Y989 AromaticContact CZ-CE1 3.82Å; F963-Y989 HydrophobicContact CZ-CE1 3.82Å; F963-Q990 PolarHBondContact N-O 3.14Å; F963-Y991 HydrophobicContact CB-CD1 4.18Å; F963-Y991 HydrophobicContact CB-CE1 4.44Å; F963-Y991 CarbonylContact O-C 3.49Å; F963-Y991 WeakPolarHBondContact O-CA 3.26Å; F963-Y992 VanDerWaalsContact C-CD1 3.49Å; F963-Y992 WeakPolarHBondContact O-CD1 3.24Å; F963-Y992 WeakPolarHBondContact O-CE1 3.27Å; F963-Y992 PolarHBondContact O-N 3.13Å |
| 964 | N | 86 | Confident | 82.8 | Confident | 80 Ų | 80 | 74.2 Ų | 74.2 | 43% | 0.428 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 137.4 | 172.6 | -163.4 | 14.6 | 0 | 0 | 0 | 109.3 | Y992 | N964-Y992 HydrophobicContact CB-CE1 4.41Å; N964-Y992 HydrophobicContact CB-CE2 3.97Å; N964-Y992 WeakPolarHBondContact OD1-CE2 3.4Å; N964-Y992 PolarHBondContact OD1-O 2.89Å |
| 965 | L | 87.7 | Confident | 83 | Confident | 11 Ų | 11 | 79.6 Ų | 79.6 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 131.5 | -179.8 | -171.5 | 65.6 | 0 | 0 | 0 | 110.3 | F963 I967 S969 L970 L980 L985 Y991 Y992 T993 I1014 | F963-L965 PolarHBondContact O-N 2.87Å; L965-I967 PolarHBondContact O-N 2.78Å; L965-S969 WeakPolarHBondContact CG-OG 3.26Å; L965-L970 HydrophobicContact CD2-CB 3.66Å; L965-L970 HydrophobicContact CD2-CD1 4.4Å; L965-L970 HydrophobicContact CD2-CD2 3.76Å; L965-L970 HydrophobicContact CD2-CG 4.14Å; L965-L970 HydrophobicContact CG-CB 4.48Å; L965-L980 HydrophobicContact CD1-CD1 4.45Å; L965-L980 HydrophobicContact CD2-CD1 4.4Å; L965-L985 HydrophobicContact CD1-CD2 3.69Å; L965-Y991 HydrophobicContact CD1-CD1 4.34Å; L965-Y991 HydrophobicContact CD1-CG 3.96Å; L965-Y992 VanDerWaalsContact CB-O 3.24Å; L965-Y992 WeakPolarHBondContact CB-O 3.33Å; L965-Y992 PolarHBondContact N-O 2.75Å; L965-T993 HydrophobicContact CD2-CG2 4.1Å; L965-I1014 HydrophobicContact CD1-CD1 3.77Å; L965-I1014 HydrophobicContact CD2-CD1 3.6Å; L965-I1014 HydrophobicContact CG-CD1 4.37Å |
| 966 | P | 85.3 | Confident | 83.6 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 32% | 0.318 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 134.9 | -178.2 | -24.9 | 34 | 0 | 0 | 0 | 111.8 | D968 S969 L985 Y991 | P966-D968 VanDerWaalsContact C-N 3.26Å; P966-D968 PolarHBondContact O-N 2.95Å; P966-S969 VanDerWaalsContact O-CB 3.31Å; P966-S969 WeakPolarHBondContact O-CB 3.29Å; P966-S969 PolarHBondContact O-N 3.42Å; P966-S969 PolarHBondContact O-OG 3.31Å; P966-L985 HydrophobicContact CG-CD2 4.31Å; P966-Y991 HydrophobicContact CG-CE1 4.21Å |
| 967 | I | 79.8 | Confident | 84.3 | Confident | 154 Ų | 154 | 72 Ų | 72 | 79% | 0.79 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -54.6 | -42.8 | -174.1 | -62.3 | 172.3 | 0 | 0 | 0 | 111.5 | L965 S969 | L965-I967 PolarHBondContact O-N 2.78Å; I967-S969 PolarHBondContact O-N 3Å |
| 968 | D | 84.4 | Confident | 85 | Confident | 137 Ų | 137 | 70.6 Ų | 70.6 | 73% | 0.733 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -77.8 | 1 | -179.9 | -58 | -31.7 | 0 | 0 | 0 | 114.1 | P966 | P966-D968 VanDerWaalsContact C-N 3.26Å; P966-D968 PolarHBondContact O-N 2.95Å |
| 969 | S | 89.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -96.4 | -20.7 | -178 | 75.7 | 0 | 0 | 0 | 0 | 114.4 | L965 P966 I967 L980 Y981 | L965-S969 WeakPolarHBondContact CG-OG 3.26Å; P966-S969 VanDerWaalsContact O-CB 3.31Å; P966-S969 WeakPolarHBondContact O-CB 3.29Å; P966-S969 PolarHBondContact O-N 3.42Å; P966-S969 PolarHBondContact O-OG 3.31Å; I967-S969 PolarHBondContact O-N 3Å; S969-L980 CarbonylContact O-C 3.53Å; S969-L980 WeakPolarHBondContact O-CA 3.46Å; S969-Y981 PolarHBondContact O-N 2.83Å |
| 970 | L | 90.9 | Very high | 86.5 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.4 | -178.2 | -171 | 77.2 | 0 | 0 | 0 | 111.8 | W916 I947 L965 L978 K979 L980 T993 F1012 | W916-L970 HydrophobicContact CH2-CD1 4.26Å; I947-L970 HydrophobicContact CD1-CD2 3.99Å; I947-L970 HydrophobicContact CD1-CG 4.5Å; L965-L970 HydrophobicContact CD2-CB 3.66Å; L965-L970 HydrophobicContact CD2-CD1 4.4Å; L965-L970 HydrophobicContact CD2-CD2 3.76Å; L965-L970 HydrophobicContact CD2-CG 4.14Å; L965-L970 HydrophobicContact CG-CB 4.48Å; L970-L978 HydrophobicContact CD1-CD2 4.24Å; L970-L978 HydrophobicContact CD2-CD2 4.26Å; L970-L978 HydrophobicContact CG-CD2 4.47Å; L970-K979 WeakPolarHBondContact CA-O 3.03Å; L970-L980 HydrophobicContact CD1-CB 4.16Å; L970-L980 HydrophobicContact CD1-CD1 3.84Å; L970-T993 HydrophobicContact CD2-CG2 4.01Å; L970-F1012 HydrophobicContact CD2-CZ 4.26Å |
| 971 | Y | 90.9 | Very high | 87.3 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 43% | 0.427 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.8 | 165.7 | 168.3 | -82 | 0 | 0 | 0 | 109.7 | L978 K979 | Y971-L978 CarbonylContact O-C 3.51Å; Y971-L978 WeakPolarHBondContact O-CA 3.42Å; Y971-K979 HydrophobicContact CD1-CB 4.32Å; Y971-K979 HydrophobicContact CD1-CD 3.81Å; Y971-K979 HydrophobicContact CD1-CG 4.15Å; Y971-K979 HydrophobicContact CE1-CD 4.28Å; Y971-K979 PolarHBondContact N-O 3.03Å; Y971-K979 PolarHBondContact O-N 3.41Å |
| 972 | L | 92.4 | Very high | 87.9 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.5 | 170.1 | 172 | 65.2 | 0 | 0 | 0 | 108.5 | L930 M945 I947 E977 L978 I995 | L930-L972 HydrophobicContact CD1-CD1 4.26Å; M945-L972 HydrophobicContact CB-CD1 4.33Å; M945-L972 HydrophobicContact CB-CD2 4.04Å; M945-L972 HydrophobicContact CB-CG 4.44Å; I947-L972 HydrophobicContact CD1-CB 4.08Å; I947-L972 HydrophobicContact CG1-CB 4.03Å; I947-L972 HydrophobicContact CG1-CD2 3.83Å; L972-E977 CarbonylContact C-O 3.6Å; L972-E977 WeakPolarHBondContact CA-O 3.28Å; L972-L978 HydrophobicContact CB-CD2 4.23Å; L972-L978 HydrophobicContact CD1-CD2 3.72Å; L972-L978 HydrophobicContact CD1-CG 4.46Å; L972-I995 HydrophobicContact CD1-CD1 4.42Å; L972-I995 HydrophobicContact CD2-CD1 4.07Å; L972-I995 HydrophobicContact CD2-CG1 4.27Å; L972-I995 HydrophobicContact CD2-CG2 3.9Å |
| 973 | S | 89.9 | Confident | 88 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | trans | -86.8 | 155.8 | 165.6 | 85.5 | 0 | 0 | 0 | 0 | 111.1 | N975 G976 E977 | S973-N975 PolarHBondContact O-N 3.36Å; S973-N975 PolarHBondContact OG-N 2.97Å; S973-G976 PolarHBondContact O-N 2.95Å; S973-E977 PolarHBondContact N-O 3.07Å; S973-E977 VanDerWaalsContact OG-CB 3.32Å; S973-E977 WeakPolarHBondContact OG-CB 3.47Å; S973-E977 WeakPolarHBondContact OG-CG 3.32Å; S973-E977 PolarHBondContact OG-N 3.23Å | ||
| 974 | I | 86.2 | Confident | 88 | Confident | 102 Ų | 102 | 54.9 Ų | 54.9 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -22.2 | 172.7 | 53.8 | 165.9 | 0 | 0 | 0 | 113.6 | M945 | M945-I974 PolarHBondContact N-O 2.84Š|
| 975 | N | 85 | Confident | 87.9 | Confident | 114 Ų | 114 | 51.1 Ų | 51.1 | 61% | 0.61 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 6.8 | 179.6 | -60 | -10.8 | 0 | 0 | 0 | 113.1 | Q929 S973 | Q929-N975 PolarHBondContact NE2-O 3.11Å; S973-N975 PolarHBondContact O-N 3.36Å; S973-N975 PolarHBondContact OG-N 2.97Å |
| 976 | G | 88.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | 83.9 | 12.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q929 L930 M945 S973 L978 | Q929-G976 PolarHBondContact NE2-O 3.31Å; L930-G976 PolarHBondContact N-O 3.48Å; M945-G976 WeakPolarHBondContact SD-CA 3.5Å; S973-G976 PolarHBondContact O-N 2.95Å; G976-L978 PolarHBondContact O-N 2.75Å | ||
| 977 | E | 91.3 | Very high | 87.4 | Confident | 82 Ų | 82 | 56.7 Ų | 56.7 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 120.7 | 168 | -62.3 | -173.8 | 165.2 | 0 | 0 | 109 | L972 S973 K979 | L972-E977 CarbonylContact C-O 3.6Å; L972-E977 WeakPolarHBondContact CA-O 3.28Å; S973-E977 PolarHBondContact N-O 3.07Å; S973-E977 VanDerWaalsContact OG-CB 3.32Å; S973-E977 WeakPolarHBondContact OG-CB 3.47Å; S973-E977 WeakPolarHBondContact OG-CG 3.32Å; S973-E977 PolarHBondContact OG-N 3.23Å; E977-K979 IonicContact OE2-NZ 2.79Å; E977-K979 PolarHBondContact OE2-NZ 3.42Å |
| 978 | L | 91.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 137.3 | 169.2 | -67.6 | 173.3 | 0 | 0 | 0 | 110.4 | P914 W916 R927 S928 L930 L970 Y971 L972 G976 I995 F1012 | P914-L978 HydrophobicContact CB-CD1 3.97Å; P914-L978 HydrophobicContact CG-CD1 4.07Å; W916-L978 HydrophobicContact CH2-CB 4.09Å; W916-L978 HydrophobicContact CH2-CD1 4.2Å; W916-L978 HydrophobicContact CZ3-CB 4.14Å; R927-L978 WeakPolarHBondContact CA-O 3.22Å; S928-L978 PolarHBondContact N-O 2.89Å; S928-L978 PolarHBondContact O-N 3.47Å; L930-L978 HydrophobicContact CD1-CD1 4Å; L930-L978 HydrophobicContact CD1-CD2 4.27Å; L930-L978 HydrophobicContact CD1-CG 4.14Å; L930-L978 HydrophobicContact CD2-CD1 3.86Å; L930-L978 HydrophobicContact CG-CD1 3.76Å; L930-L978 HydrophobicContact CG-CG 4.09Å; L970-L978 HydrophobicContact CD1-CD2 4.24Å; L970-L978 HydrophobicContact CD2-CD2 4.26Å; L970-L978 HydrophobicContact CG-CD2 4.47Å; Y971-L978 CarbonylContact O-C 3.51Å; Y971-L978 WeakPolarHBondContact O-CA 3.42Å; L972-L978 HydrophobicContact CB-CD2 4.23Å; L972-L978 HydrophobicContact CD1-CD2 3.72Å; L972-L978 HydrophobicContact CD1-CG 4.46Å; G976-L978 PolarHBondContact O-N 2.75Å; L978-I995 HydrophobicContact CD2-CD1 4.02Å; L978-F1012 HydrophobicContact CD1-CE1 4.12Å; L978-F1012 HydrophobicContact CD1-CZ 3.97Å |
| 979 | K | 91.4 | Very high | 87.2 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 14% | 0.139 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.4 | 166.8 | -58.6 | 167.6 | -172.4 | 129.7 | 0 | 108.6 | E925 L926 R927 L970 Y971 E977 | E925-K979 HydrophobicContact CG-CB 4.3Å; L926-K979 CarbonylContact O-C 3.59Å; L926-K979 WeakPolarHBondContact O-CA 2.86Å; R927-K979 HydrophobicContact CG-CG 4.38Å; L970-K979 WeakPolarHBondContact CA-O 3.03Å; Y971-K979 HydrophobicContact CD1-CB 4.32Å; Y971-K979 HydrophobicContact CD1-CD 3.81Å; Y971-K979 HydrophobicContact CD1-CG 4.15Å; Y971-K979 HydrophobicContact CE1-CD 4.28Å; Y971-K979 PolarHBondContact N-O 3.03Å; Y971-K979 PolarHBondContact O-N 3.41Å; E977-K979 IonicContact OE2-NZ 2.79Å; E977-K979 PolarHBondContact OE2-NZ 3.42Å |
| 980 | L | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.7 | -177 | -178.6 | 75.3 | 0 | 0 | 0 | 110.2 | W916 E925 L926 L965 S969 L970 I982 L985 I1014 I1018 | W916-L980 HydrophobicContact CE3-CB 4.35Å; W916-L980 HydrophobicContact CH2-CB 3.73Å; W916-L980 HydrophobicContact CH2-CD2 4.16Å; W916-L980 HydrophobicContact CH2-CG 4.46Å; W916-L980 HydrophobicContact CZ2-CD2 4.22Å; W916-L980 HydrophobicContact CZ3-CB 3.59Å; W916-L980 HydrophobicContact CZ3-CD2 4.42Å; E925-L980 WeakPolarHBondContact CA-O 3.4Å; L926-L980 HydrophobicContact CB-CB 4.38Å; L926-L980 PolarHBondContact N-O 2.7Å; L926-L980 PolarHBondContact O-N 2.81Å; L965-L980 HydrophobicContact CD1-CD1 4.45Å; L965-L980 HydrophobicContact CD2-CD1 4.4Å; S969-L980 CarbonylContact O-C 3.53Å; S969-L980 WeakPolarHBondContact O-CA 3.46Å; L970-L980 HydrophobicContact CD1-CB 4.16Å; L970-L980 HydrophobicContact CD1-CD1 3.84Å; L980-I982 HydrophobicContact CD2-CG2 4.25Å; L980-I982 HydrophobicContact CG-CG2 4.47Å; L980-L985 HydrophobicContact CD1-CD1 4.24Å; L980-L985 HydrophobicContact CD2-CD1 4.34Å; L980-L985 HydrophobicContact CG-CD1 4.43Å; L980-I1014 HydrophobicContact CD1-CD1 3.45Å; L980-I1014 VanDerWaalsContact CD1-CD1 3.45Å; L980-I1014 HydrophobicContact CD2-CD1 3.89Å; L980-I1014 HydrophobicContact CD2-CG2 3.94Å; L980-I1014 HydrophobicContact CG-CD1 4.32Å; L980-I1018 HydrophobicContact CD2-CD1 3.49Å; L980-I1018 VanDerWaalsContact CD2-CD1 3.49Å |
| 981 | Y | 90.3 | Very high | 87.1 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 26% | 0.263 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 96.1 | -179.6 | -61.7 | -71.8 | 0 | 0 | 0 | 110.1 | I924 E925 S969 D983 K984 | I924-Y981 WeakPolarHBondContact O-CA 3.27Å; E925-Y981 HydrophobicContact CB-CD1 4.33Å; E925-Y981 HydrophobicContact CB-CE1 4.1Å; E925-Y981 HydrophobicContact CG-CD1 4.43Å; E925-Y981 HydrophobicContact CG-CE1 3.88Å; S969-Y981 PolarHBondContact O-N 2.83Å; Y981-D983 PolarHBondContact O-N 2.76Å; Y981-K984 WeakPolarHBondContact O-CB 3.45Å; Y981-K984 PolarHBondContact O-N 2.91Å; Y981-K984 VanDerWaalsContact O-N 3.16Å |
| 982 | I | 86.3 | Confident | 87 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -70.2 | -16.5 | -172.6 | 63.2 | 168.4 | 0 | 0 | 0 | 113.4 | I924 L926 L980 K984 L985 I1018 V1026 | I924-I982 HydrophobicContact CB-CG1 4.45Å; I924-I982 PolarHBondContact O-N 3.48Å; L926-I982 HydrophobicContact CD1-CG2 3.9Å; L926-I982 HydrophobicContact CG-CG2 4.06Å; L980-I982 HydrophobicContact CD2-CG2 4.25Å; L980-I982 HydrophobicContact CG-CG2 4.47Å; I982-K984 PolarHBondContact O-N 3.19Å; I982-L985 PolarHBondContact O-N 2.74Å; I982-I1018 HydrophobicContact CG2-CD1 4Å; I982-V1026 HydrophobicContact CD1-CB 4.34Å; I982-V1026 HydrophobicContact CD1-CG1 3.36Å |
| 983 | D | 84.1 | Confident | 87 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -70.5 | -4.6 | 173.4 | 75.1 | -56.9 | 0 | 0 | 0 | 113.2 | I924 Y981 | I924-D983 HydrophobicContact CB-CB 4.46Å; I924-D983 HydrophobicContact CG2-CB 4.13Å; Y981-D983 PolarHBondContact O-N 2.76Å |
| 984 | K | 84.6 | Confident | 87 | Confident | 101 Ų | 101 | 50.1 Ų | 50.1 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -100.2 | 0.8 | 175.6 | -49 | -51.1 | 178.6 | -151.4 | 0 | 113.9 | Y981 I982 | Y981-K984 WeakPolarHBondContact O-CB 3.45Å; Y981-K984 PolarHBondContact O-N 2.91Å; Y981-K984 VanDerWaalsContact O-N 3.16Å; I982-K984 PolarHBondContact O-N 3.19Å |
| 985 | L | 84.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | trans | -118.6 | 133.1 | -171.4 | -54.2 | -179.7 | 0 | 0 | 0 | 111.3 | L965 P966 L980 I982 Y991 I1014 L1016 M1028 | L965-L985 HydrophobicContact CD1-CD2 3.69Å; P966-L985 HydrophobicContact CG-CD2 4.31Å; L980-L985 HydrophobicContact CD1-CD1 4.24Å; L980-L985 HydrophobicContact CD2-CD1 4.34Å; L980-L985 HydrophobicContact CG-CD1 4.43Å; I982-L985 PolarHBondContact O-N 2.74Å; L985-Y991 HydrophobicContact CB-CE2 3.97Å; L985-Y991 HydrophobicContact CD2-CD1 4.44Å; L985-Y991 HydrophobicContact CD2-CD2 4.05Å; L985-Y991 HydrophobicContact CD2-CE1 4.31Å; L985-Y991 HydrophobicContact CD2-CE2 3.95Å; L985-Y991 HydrophobicContact CD2-CG 4.3Å; L985-Y991 HydrophobicContact CG-CE2 4.44Å; L985-I1014 HydrophobicContact CD1-CG2 4.01Å; L985-L1016 HydrophobicContact CB-CD1 3.98Å; L985-M1028 VanDerWaalsContact O-CE 3.22Å; L985-M1028 WeakPolarHBondContact O-CE 3.2Å | ||
| 986 | E | 83.2 | Confident | 87.7 | Confident | 101 Ų | 101 | 42 Ų | 42 | 47% | 0.472 | 19% | 0.191 | S | C | . | . | trans | -89 | 138.2 | 170.9 | -59.3 | -178.5 | -157.6 | 0 | 0 | 111.9 | I988 Y989 Y991 | E986-I988 HydrophobicContact CB-CG1 4.16Å; E986-I988 PolarHBondContact O-N 2.94Å; E986-Y989 HydrophobicContact CB-CD2 4.04Å; E986-Y989 HydrophobicContact CB-CE2 4.43Å; E986-Y989 PolarHBondContact O-N 2.88Å; E986-Y989 WeakPolarHBondContact OE2-CE2 3.5Å; E986-Y991 PolarHBondContact N-OH 3.43Å; E986-Y991 PolarHBondContact O-OH 3.15Å | ||
| 987 | E | 78 | Confident | 87.9 | Confident | 77 Ų | 77 | 42 Ų | 42 | 36% | 0.36 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.9 | -176.4 | -58.6 | -166.1 | 148.8 | 0 | 0 | 114.9 | Y989 L1016 S1027 M1028 | E987-Y989 VanDerWaalsContact C-N 3.29Å; E987-Y989 PolarHBondContact O-N 3.07Å; E987-L1016 HydrophobicContact CB-CB 4.35Å; E987-L1016 HydrophobicContact CG-CB 4.02Å; E987-L1016 HydrophobicContact CG-CD1 3.83Å; E987-S1027 WeakPolarHBondContact OE1-CB 3.28Å; E987-M1028 HydrophobicContact CG-CB 3.78Å; E987-M1028 HydrophobicContact CG-SD 4.39Å; E987-M1028 WeakPolarHBondContact OE1-CB 3.48Å; E987-M1028 PolarHBondContact OE1-N 3.36Å |
| 988 | I | 79.1 | Confident | 87.9 | Confident | 127 Ų | 127 | 40 Ų | 40 | 65% | 0.651 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.8 | -178 | 58.7 | 168.8 | 0 | 0 | 0 | 113.9 | E986 | E986-I988 HydrophobicContact CB-CG1 4.16Å; E986-I988 PolarHBondContact O-N 2.94Å |
| 989 | Y | 81.9 | Confident | 88 | Confident | 78 Ų | 78 | 40 Ų | 40 | 31% | 0.306 | 18% | 0.181 | S | C | . | . | trans | -119.9 | 142.6 | -173.7 | -60.8 | -43.7 | 0 | 0 | 0 | 112.8 | F963 E986 E987 | F963-Y989 AromaticContact CD2-CD1 3.66Å; F963-Y989 HydrophobicContact CD2-CD1 3.66Å; F963-Y989 HydrophobicContact CD2-CE1 4.31Å; F963-Y989 AromaticContact CD2-CG 3.84Å; F963-Y989 HydrophobicContact CD2-CG 3.84Å; F963-Y989 AromaticContact CE2-CD1 3.29Å; F963-Y989 HydrophobicContact CE2-CD1 3.29Å; F963-Y989 AromaticContact CE2-CE1 3.6Å; F963-Y989 HydrophobicContact CE2-CE1 3.6Å; F963-Y989 AromaticContact CE2-CG 3.97Å; F963-Y989 HydrophobicContact CE2-CG 3.97Å; F963-Y989 HydrophobicContact CZ-CD1 4Å; F963-Y989 AromaticContact CZ-CE1 3.82Å; F963-Y989 HydrophobicContact CZ-CE1 3.82Å; E986-Y989 HydrophobicContact CB-CD2 4.04Å; E986-Y989 HydrophobicContact CB-CE2 4.43Å; E986-Y989 PolarHBondContact O-N 2.88Å; E986-Y989 WeakPolarHBondContact OE2-CE2 3.5Å; E987-Y989 VanDerWaalsContact C-N 3.29Å; E987-Y989 PolarHBondContact O-N 3.07Å | ||
| 990 | Q | 87 | Confident | 87.9 | Confident | 56 Ų | 56 | 40.9 Ų | 40.9 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.4 | 163.3 | -177.1 | 179.6 | 25.5 | 0 | 0 | 107.8 | Q962 F963 F1013 Q1015 | Q962-Q990 CarbonylContact C-O 3.55Å; Q962-Q990 VanDerWaalsContact CA-O 3.27Å; Q962-Q990 WeakPolarHBondContact CA-O 3.47Å; Q962-Q990 HydrophobicContact CG-CB 4.26Å; Q962-Q990 HydrophobicContact CG-CG 4.24Å; Q962-Q990 VanDerWaalsContact NE2-CD 3.3Å; F963-Q990 PolarHBondContact N-O 3.14Å; Q990-F1013 HydrophobicContact CG-CB 4.24Å; Q990-F1013 HydrophobicContact CG-CD1 4.4Å; Q990-Q1015 HydrophobicContact CG-CB 4.39Å |
| 991 | Y | 90.3 | Very high | 87.5 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 155.8 | 178.2 | -56.5 | -91.2 | 0 | 0 | 0 | 110.8 | F963 L965 P966 L985 E986 F1013 I1014 | F963-Y991 HydrophobicContact CB-CD1 4.18Å; F963-Y991 HydrophobicContact CB-CE1 4.44Å; F963-Y991 CarbonylContact O-C 3.49Å; F963-Y991 WeakPolarHBondContact O-CA 3.26Å; L965-Y991 HydrophobicContact CD1-CD1 4.34Å; L965-Y991 HydrophobicContact CD1-CG 3.96Å; P966-Y991 HydrophobicContact CG-CE1 4.21Å; L985-Y991 HydrophobicContact CB-CE2 3.97Å; L985-Y991 HydrophobicContact CD2-CD1 4.44Å; L985-Y991 HydrophobicContact CD2-CD2 4.05Å; L985-Y991 HydrophobicContact CD2-CE1 4.31Å; L985-Y991 HydrophobicContact CD2-CE2 3.95Å; L985-Y991 HydrophobicContact CD2-CG 4.3Å; L985-Y991 HydrophobicContact CG-CE2 4.44Å; E986-Y991 PolarHBondContact N-OH 3.43Å; E986-Y991 PolarHBondContact O-OH 3.15Å; Y991-F1013 CarbonylContact O-C 3.54Å; Y991-F1013 VanDerWaalsContact O-CA 3.24Å; Y991-F1013 WeakPolarHBondContact O-CA 3.38Å; Y991-I1014 PolarHBondContact N-O 2.83Å; Y991-I1014 PolarHBondContact O-N 2.9Å |
| 992 | Y | 90.5 | Very high | 86.6 | Confident | 31 Ų | 31 | 44 Ų | 44 | 12% | 0.122 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 155.1 | 170.8 | 65.7 | -99.9 | 0 | 0 | 0 | 111.1 | P950 I958 Q962 F963 N964 L965 F994 F1012 | P950-Y992 HydrophobicContact CG-CE2 4.15Å; I958-Y992 HydrophobicContact CD1-CD1 4.42Å; I958-Y992 HydrophobicContact CD1-CD2 4.34Å; I958-Y992 HydrophobicContact CD1-CE1 3.95Å; I958-Y992 HydrophobicContact CD1-CE2 3.88Å; I958-Y992 HydrophobicContact CG1-CE1 4.41Å; I958-Y992 HydrophobicContact CG2-CD1 3.77Å; I958-Y992 HydrophobicContact CG2-CE1 3.51Å; Q962-Y992 HydrophobicContact CB-CD1 4.09Å; F963-Y992 VanDerWaalsContact C-CD1 3.49Å; F963-Y992 WeakPolarHBondContact O-CD1 3.24Å; F963-Y992 WeakPolarHBondContact O-CE1 3.27Å; F963-Y992 PolarHBondContact O-N 3.13Å; N964-Y992 HydrophobicContact CB-CE1 4.41Å; N964-Y992 HydrophobicContact CB-CE2 3.97Å; N964-Y992 WeakPolarHBondContact OD1-CE2 3.4Å; N964-Y992 PolarHBondContact OD1-O 2.89Å; L965-Y992 VanDerWaalsContact CB-O 3.24Å; L965-Y992 WeakPolarHBondContact CB-O 3.33Å; L965-Y992 PolarHBondContact N-O 2.75Å; Y992-F994 AromaticContact CD2-CD2 3.85Å; Y992-F994 HydrophobicContact CD2-CD2 3.85Å; Y992-F994 AromaticContact CD2-CE2 3.53Å; Y992-F994 HydrophobicContact CD2-CE2 3.53Å; Y992-F994 HydrophobicContact CE2-CD2 4.2Å; Y992-F994 AromaticContact CE2-CE2 3.88Å; Y992-F994 HydrophobicContact CE2-CE2 3.88Å; Y992-F994 HydrophobicContact CG-CE2 4.41Å; Y992-F1012 WeakPolarHBondContact CA-O 3.29Å |
| 993 | T | 90.9 | Very high | 85.7 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154.2 | 165.4 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | L965 L970 Y1011 F1012 | L965-T993 HydrophobicContact CD2-CG2 4.1Å; L970-T993 HydrophobicContact CD2-CG2 4.01Å; T993-Y1011 VanDerWaalsContact O-CA 3.29Å; T993-Y1011 WeakPolarHBondContact O-CA 3.32Å; T993-Y1011 WeakPolarHBondContact O-CB 3.16Å; T993-F1012 HydrophobicContact CG2-CD1 3.86Å; T993-F1012 HydrophobicContact CG2-CD2 4.22Å; T993-F1012 HydrophobicContact CG2-CE1 3.42Å; T993-F1012 VanDerWaalsContact CG2-CE1 3.42Å; T993-F1012 HydrophobicContact CG2-CE2 3.81Å; T993-F1012 HydrophobicContact CG2-CG 4.25Å; T993-F1012 HydrophobicContact CG2-CZ 3.39Å; T993-F1012 PolarHBondContact N-O 3.32Å; T993-F1012 VanDerWaalsContact N-O 3.1Å; T993-F1012 PolarHBondContact O-N 3.06Å; T993-F1012 VanDerWaalsContact O-N 3.14Å |
| 994 | F | 91.2 | Very high | 85.6 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.9 | 178.6 | -70.5 | -99.7 | 0 | 0 | 0 | 109.5 | I909 I947 I948 P950 Y954 L957 I958 Y992 G1010 Y1011 | I909-F994 HydrophobicContact CD1-CD1 3.87Å; I909-F994 HydrophobicContact CD1-CE1 3.75Å; I947-F994 WeakPolarHBondContact CA-O 3.41Å; I948-F994 HydrophobicContact CD1-CB 4.23Å; I948-F994 HydrophobicContact CG1-CB 3.58Å; I948-F994 PolarHBondContact N-O 2.99Å; P950-F994 HydrophobicContact CB-CD2 3.93Å; P950-F994 HydrophobicContact CB-CE2 3.7Å; P950-F994 HydrophobicContact CB-CZ 4.1Å; P950-F994 HydrophobicContact CG-CD2 4.33Å; P950-F994 HydrophobicContact CG-CE2 4.22Å; Y954-F994 AromaticContact CD2-CD1 3.82Å; Y954-F994 HydrophobicContact CD2-CD1 3.82Å; Y954-F994 AromaticContact CD2-CE1 3.84Å; Y954-F994 HydrophobicContact CD2-CE1 3.84Å; Y954-F994 HydrophobicContact CE2-CD1 4.46Å; Y954-F994 HydrophobicContact CG-CE1 4.13Å; L957-F994 HydrophobicContact CD1-CE1 4.02Å; L957-F994 HydrophobicContact CD1-CZ 4.36Å; I958-F994 HydrophobicContact CD1-CE2 4.04Å; I958-F994 HydrophobicContact CD1-CZ 4.28Å; I958-F994 HydrophobicContact CG1-CE2 4.45Å; I958-F994 HydrophobicContact CG1-CZ 4.35Å; Y992-F994 AromaticContact CD2-CD2 3.85Å; Y992-F994 HydrophobicContact CD2-CD2 3.85Å; Y992-F994 AromaticContact CD2-CE2 3.53Å; Y992-F994 HydrophobicContact CD2-CE2 3.53Å; Y992-F994 HydrophobicContact CE2-CD2 4.2Å; Y992-F994 AromaticContact CE2-CE2 3.88Å; Y992-F994 HydrophobicContact CE2-CE2 3.88Å; Y992-F994 HydrophobicContact CG-CE2 4.41Å; F994-G1010 WeakPolarHBondContact CA-O 3.4Å; F994-Y1011 HydrophobicContact CE1-CD1 4.44Å; F994-Y1011 HydrophobicContact CE1-CG 4.17Å |
| 995 | I | 91.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.9 | 180 | -62.8 | -179.7 | 0 | 0 | 0 | 109.3 | W889 L930 M945 Y946 L972 L978 G1010 F1012 | W889-I995 HydrophobicContact CH2-CB 4.36Å; W889-I995 HydrophobicContact CH2-CG2 3.8Å; W889-I995 HydrophobicContact CZ2-CG2 4.39Å; L930-I995 HydrophobicContact CD1-CD1 3.66Å; L930-I995 HydrophobicContact CD1-CG2 4.46Å; M945-I995 HydrophobicContact CB-CG2 4.45Å; Y946-I995 CarbonylContact O-C 3.56Å; Y946-I995 VanDerWaalsContact O-CA 3.26Å; Y946-I995 WeakPolarHBondContact O-CA 3.28Å; Y946-I995 WeakPolarHBondContact O-CG2 3.23Å; L972-I995 HydrophobicContact CD1-CD1 4.42Å; L972-I995 HydrophobicContact CD2-CD1 4.07Å; L972-I995 HydrophobicContact CD2-CG1 4.27Å; L972-I995 HydrophobicContact CD2-CG2 3.9Å; L978-I995 HydrophobicContact CD2-CD1 4.02Å; I995-G1010 PolarHBondContact N-O 2.85Å; I995-G1010 PolarHBondContact O-N 2.89Å; I995-F1012 HydrophobicContact CD1-CE1 3.77Å |
| 996 | R | 92.5 | Very high | 86.1 | Confident | 46 Ų | 46 | 53 Ų | 53 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 139.1 | 165.2 | 179.7 | 159.6 | -65.6 | -178.2 | 1.3 | 109.7 | M945 Y946 I948 Q998 Y1007 D1009 | M945-R996 WeakPolarHBondContact CA-O 3.35Å; Y946-R996 PolarHBondContact N-O 2.88Å; Y946-R996 PolarHBondContact O-N 3.26Å; I948-R996 HydrophobicContact CD1-CB 4.35Å; I948-R996 HydrophobicContact CG2-CB 3.69Å; R996-Q998 HydrophobicContact CG-CB 4.18Å; R996-Y1007 HydrophobicContact CG-CD2 4.32Å; R996-Y1007 HydrophobicContact CG-CG 4.35Å; R996-Y1007 VanDerWaalsContact CZ-CD2 3.43Å; R996-Y1007 VanDerWaalsContact NE-CD2 3.29Å; R996-D1009 WeakPolarHBondContact CB-OD1 3.5Å; R996-D1009 WeakPolarHBondContact CG-OD1 3.46Å; R996-D1009 IonicContact CZ-OD1 2.86Å; R996-D1009 IonicContact CZ-OD2 2.61Å; R996-D1009 IonicContact NE-OD1 2.67Å; R996-D1009 PolarHBondContact NE-OD1 2.99Å; R996-D1009 IonicContact NE-OD2 3.12Å; R996-D1009 IonicContact NH2-OD1 3.74Å; R996-D1009 PolarHBondContact NH2-OD1 2.61Å; R996-D1009 IonicContact NH2-OD2 3.32Å; R996-D1009 PolarHBondContact NH2-OD2 2.95Å |
| 997 | V | 92.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.4 | 156.8 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | P887 W889 V932 L943 Q944 M945 Y1007 T1008 | P887-V997 HydrophobicContact CB-CG1 4.02Å; P887-V997 HydrophobicContact CB-CG2 4.31Å; W889-V997 HydrophobicContact CD2-CG1 4.38Å; W889-V997 HydrophobicContact CH2-CB 4.17Å; W889-V997 HydrophobicContact CH2-CG1 4.06Å; W889-V997 HydrophobicContact CZ2-CB 3.96Å; W889-V997 HydrophobicContact CZ2-CG1 3.46Å; W889-V997 VanDerWaalsContact CZ2-CG1 3.46Å; V932-V997 HydrophobicContact CB-CG1 4.47Å; V932-V997 HydrophobicContact CB-CG2 4.17Å; V932-V997 HydrophobicContact CG1-CB 4.32Å; V932-V997 HydrophobicContact CG1-CG1 3.73Å; V932-V997 HydrophobicContact CG1-CG2 3.82Å; V932-V997 HydrophobicContact CG2-CB 4.19Å; V932-V997 HydrophobicContact CG2-CG1 3.97Å; V932-V997 HydrophobicContact CG2-CG2 4.08Å; L943-V997 HydrophobicContact CB-CG2 4.04Å; L943-V997 HydrophobicContact CD1-CG2 4.17Å; L943-V997 HydrophobicContact CD2-CG2 4.29Å; L943-V997 HydrophobicContact CG-CG2 4.41Å; Q944-V997 WeakPolarHBondContact O-CA 3.47Å; M945-V997 HydrophobicContact CE-CG2 4.47Å; M945-V997 HydrophobicContact CG-CB 4.14Å; M945-V997 HydrophobicContact CG-CG2 3.92Å; V997-Y1007 CarbonylContact O-C 3.59Å; V997-Y1007 WeakPolarHBondContact O-CA 3.41Å; V997-Y1007 VanDerWaalsContact O-CB 3.29Å; V997-Y1007 WeakPolarHBondContact O-CB 3.46Å; V997-T1008 PolarHBondContact N-O 3.32Å; V997-T1008 PolarHBondContact O-N 3.48Å |
| 998 | Q | 92.8 | Very high | 87.1 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143.3 | -171.3 | 178.3 | 172.2 | -22.7 | 0 | 0 | 108.9 | L943 Q944 Y946 R996 Q1005 L1006 | L943-Q998 CarbonylContact C-O 3.53Å; L943-Q998 WeakPolarHBondContact CA-O 3.19Å; Q944-Q998 PolarHBondContact N-O 2.75Å; Q944-Q998 PolarHBondContact O-N 2.96Å; Y946-Q998 HydrophobicContact CE2-CB 4.48Å; R996-Q998 HydrophobicContact CG-CB 4.18Å; Q998-Q1005 HydrophobicContact CG-CB 4.29Å; Q998-L1006 WeakPolarHBondContact CA-O 3.35Å; Q998-L1006 WeakPolarHBondContact CG-O 3.28Å |
| 999 | D | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -78.8 | -169.3 | 175.8 | 66.5 | 55.6 | 0 | 0 | 0 | 113 | N883 P887 N940 K942 L943 G1001 Q1005 L1006 | N883-D999 PolarHBondContact ND2-OD1 2.74Å; N883-D999 PolarHBondContact ND2-OD2 3.49Å; P887-D999 HydrophobicContact CG-CB 4.32Å; N940-D999 WeakPolarHBondContact O-CB 3.43Å; K942-D999 CarbonylContact O-C 3.59Å; K942-D999 WeakPolarHBondContact O-CA 3.12Å; L943-D999 HydrophobicContact CD2-CB 4.42Å; D999-G1001 PolarHBondContact OD1-N 2.87Å; D999-Q1005 VanDerWaalsContact OD1-CA 3.24Å; D999-Q1005 WeakPolarHBondContact OD1-CA 3.46Å; D999-Q1005 WeakPolarHBondContact OD1-CB 3.41Å; D999-L1006 PolarHBondContact N-O 2.97Å; D999-L1006 VanDerWaalsContact N-O 3.13Å; D999-L1006 VanDerWaalsContact OD2-CA 3.31Å; D999-L1006 WeakPolarHBondContact OD2-CA 3.27Å; D999-L1006 WeakPolarHBondContact OD2-CB 3.47Å; D999-L1006 PolarHBondContact OD2-N 3.49Å; D999-L1006 VanDerWaalsContact OD2-O 3.13Å | ||
| 1000 | Q | 89.1 | Confident | 88 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | trans | -126.6 | 32.8 | 173.3 | -63.5 | -71.3 | -90.4 | 0 | 0 | 112.6 | D939 K942 Q944 | D939-Q1000 CarbonylContact O-C 3.58Å; D939-Q1000 PolarHBondContact O-N 3.3Å; K942-Q1000 HydrophobicContact CB-CB 4.25Å; K942-Q1000 HydrophobicContact CB-CG 4.5Å; K942-Q1000 HydrophobicContact CD-CB 4.23Å; K942-Q1000 HydrophobicContact CD-CG 4.38Å; K942-Q1000 HydrophobicContact CG-CB 4.42Å; K942-Q1000 HydrophobicContact CG-CG 4.3Å; K942-Q1000 VanDerWaalsContact O-CG 3.29Å; K942-Q1000 WeakPolarHBondContact O-CG 3.23Å; K942-Q1000 PolarHBondContact O-N 3.41Å; Q944-Q1000 HydrophobicContact CG-CG 4.32Å | ||
| 1001 | G | 83.2 | Confident | 88.2 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | trans | -56.6 | 147.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D939 N940 D999 R1004 Q1005 | D939-G1001 PolarHBondContact O-N 2.86Å; N940-G1001 VanDerWaalsContact OD1-CA 3.24Å; N940-G1001 WeakPolarHBondContact OD1-CA 3.26Å; D999-G1001 PolarHBondContact OD1-N 2.87Å; G1001-R1004 CarbonylContact C-O 3.45Å; G1001-R1004 VanDerWaalsContact C-O 3.26Å; G1001-R1004 WeakPolarHBondContact CA-O 3.44Å; G1001-Q1005 WeakPolarHBondContact O-CG 3.34Å | ||
| 1002 | I | 71.2 | Confident | 88.2 | Confident | 128 Ų | 128 | 36.8 Ų | 36.8 | 66% | 0.656 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -79.5 | -32.2 | -165.4 | -62.8 | 175.3 | 0 | 0 | 0 | 112.7 | ||
| 1003 | H | 67.5 | Low | 88.1 | Confident | 184 Ų | 184 | 38 Ų | 38 | 85% | 0.852 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -110.5 | -35.7 | -176 | -67.4 | -59.3 | 0 | 0 | 0 | 113.6 | ||
| 1004 | R | 83.5 | Confident | 88 | Confident | 58 Ų | 58 | 38 Ų | 38 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | trans | -133.9 | 157.8 | 168 | 106.2 | -169.1 | 93.6 | -114.4 | -7.4 | 107.5 | D756 N883 G1001 L1006 | D756-R1004 IonicContact OD1-CZ 3.44Å; D756-R1004 IonicContact OD1-NH1 2.81Å; D756-R1004 PolarHBondContact OD1-NH1 2.67Å; D756-R1004 VanDerWaalsContact OD1-NH1 3.16Å; D756-R1004 IonicContact OD1-NH2 3.3Å; D756-R1004 PolarHBondContact OD1-NH2 2.79Å; D756-R1004 IonicContact OD2-CZ 2.71Å; D756-R1004 VanDerWaalsContact OD2-CZ 3.31Å; D756-R1004 IonicContact OD2-NH1 3.11Å; D756-R1004 PolarHBondContact OD2-NH1 2.89Å; D756-R1004 IonicContact OD2-NH2 2.69Å; D756-R1004 PolarHBondContact OD2-NH2 3.25Å; N883-R1004 PolarHBondContact O-NE 2.86Å; N883-R1004 PolarHBondContact O-NH2 3.41Å; N883-R1004 WeakPolarHBondContact OD1-CG 3.36Å; G1001-R1004 CarbonylContact C-O 3.45Å; G1001-R1004 VanDerWaalsContact C-O 3.26Å; G1001-R1004 WeakPolarHBondContact CA-O 3.44Å; R1004-L1006 HydrophobicContact CG-CD2 4.25Å; R1004-L1006 HydrophobicContact CG-CG 4.06Å | ||
| 1005 | Q | 88.9 | Confident | 87.7 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | trans | -122.2 | 120.8 | 167.4 | -66.7 | 179.8 | -9.8 | 0 | 0 | 108.1 | Q998 D999 G1001 | Q998-Q1005 HydrophobicContact CG-CB 4.29Å; D999-Q1005 VanDerWaalsContact OD1-CA 3.24Å; D999-Q1005 WeakPolarHBondContact OD1-CA 3.46Å; D999-Q1005 WeakPolarHBondContact OD1-CB 3.41Å; G1001-Q1005 WeakPolarHBondContact O-CG 3.34Å | ||
| 1006 | L | 90.5 | Very high | 87.1 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | trans | -91.7 | 159.2 | 174 | -64.4 | 174.3 | 0 | 0 | 0 | 110 | Y758 N883 D884 A886 Q998 D999 R1004 | Y758-L1006 HydrophobicContact CE1-CD2 3.98Å; Y758-L1006 HydrophobicContact CE2-CD1 3.89Å; Y758-L1006 HydrophobicContact CE2-CD2 4.4Å; Y758-L1006 WeakPolarHBondContact OH-CD1 3.06Å; N883-L1006 WeakPolarHBondContact OD1-CD1 3.11Å; N883-L1006 VanDerWaalsContact OD1-CG 3.22Å; N883-L1006 WeakPolarHBondContact OD1-CG 3.41Å; D884-L1006 WeakPolarHBondContact O-CD1 3.46Å; A886-L1006 HydrophobicContact CB-CB 3.97Å; A886-L1006 HydrophobicContact CB-CD1 4.2Å; Q998-L1006 WeakPolarHBondContact CA-O 3.35Å; Q998-L1006 WeakPolarHBondContact CG-O 3.28Å; D999-L1006 PolarHBondContact N-O 2.97Å; D999-L1006 VanDerWaalsContact N-O 3.13Å; D999-L1006 VanDerWaalsContact OD2-CA 3.31Å; D999-L1006 WeakPolarHBondContact OD2-CA 3.27Å; D999-L1006 WeakPolarHBondContact OD2-CB 3.47Å; D999-L1006 PolarHBondContact OD2-N 3.49Å; D999-L1006 VanDerWaalsContact OD2-O 3.13Å; R1004-L1006 HydrophobicContact CG-CD2 4.25Å; R1004-L1006 HydrophobicContact CG-CG 4.06Å | ||
| 1007 | Y | 91.3 | Very high | 86.4 | Confident | 86 Ų | 86 | 44.9 Ų | 44.9 | 34% | 0.337 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 156.6 | -179.1 | 65.6 | -93.6 | 0 | 0 | 0 | 110.6 | R996 V997 | R996-Y1007 HydrophobicContact CG-CD2 4.32Å; R996-Y1007 HydrophobicContact CG-CG 4.35Å; R996-Y1007 VanDerWaalsContact CZ-CD2 3.43Å; R996-Y1007 VanDerWaalsContact NE-CD2 3.29Å; V997-Y1007 CarbonylContact O-C 3.59Å; V997-Y1007 WeakPolarHBondContact O-CA 3.41Å; V997-Y1007 VanDerWaalsContact O-CB 3.29Å; V997-Y1007 WeakPolarHBondContact O-CB 3.46Å |
| 1008 | T | 90.8 | Very high | 85.6 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.8 | 159.8 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | A886 P887 W889 Y910 V997 | A886-T1008 HydrophobicContact CB-CG2 4.18Å; P887-T1008 WeakPolarHBondContact O-CB 3.49Å; P887-T1008 WeakPolarHBondContact O-CG2 3.46Å; P887-T1008 PolarHBondContact O-OG1 3.22Å; W889-T1008 PolarHBondContact NE1-OG1 3.27Å; W889-T1008 VanDerWaalsContact NE1-OG1 3.11Å; Y910-T1008 HydrophobicContact CE2-CG2 4.19Å; V997-T1008 PolarHBondContact N-O 3.32Å; V997-T1008 PolarHBondContact O-N 3.48Å |
| 1009 | D | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 143.9 | 178.9 | -68.7 | -18.9 | 0 | 0 | 0 | 109.9 | I909 Y910 I948 Y954 R996 | I909-D1009 WeakPolarHBondContact CA-O 3.08Å; I909-D1009 HydrophobicContact CD1-CB 4.25Å; I909-D1009 HydrophobicContact CG1-CB 3.97Å; I909-D1009 WeakPolarHBondContact CG1-O 3.38Å; Y910-D1009 PolarHBondContact N-O 3.18Å; I948-D1009 HydrophobicContact CD1-CB 4.36Å; Y954-D1009 HydrophobicContact CE2-CB 4.43Å; Y954-D1009 PolarHBondContact OH-OD2 3.25Å; R996-D1009 WeakPolarHBondContact CB-OD1 3.5Å; R996-D1009 WeakPolarHBondContact CG-OD1 3.46Å; R996-D1009 IonicContact CZ-OD1 2.86Å; R996-D1009 IonicContact CZ-OD2 2.61Å; R996-D1009 IonicContact NE-OD1 2.67Å; R996-D1009 PolarHBondContact NE-OD1 2.99Å; R996-D1009 IonicContact NE-OD2 3.12Å; R996-D1009 IonicContact NH2-OD1 3.74Å; R996-D1009 PolarHBondContact NH2-OD1 2.61Å; R996-D1009 IonicContact NH2-OD2 3.32Å; R996-D1009 PolarHBondContact NH2-OD2 2.95Å |
| 1010 | G | 89.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 164.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y910 F994 I995 | Y910-G1010 CarbonylContact O-C 3.46Å; Y910-G1010 WeakPolarHBondContact O-CA 3.34Å; F994-G1010 WeakPolarHBondContact CA-O 3.4Å; I995-G1010 PolarHBondContact N-O 2.85Å; I995-G1010 PolarHBondContact O-N 2.89Å |
| 1011 | Y | 90.6 | Very high | 82.9 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.8 | 177.9 | 71.2 | -83 | 0 | 0 | 0 | 110.9 | I909 Y910 Q911 L912 L957 T993 F994 F1013 | I909-Y1011 HydrophobicContact CD1-CD1 4.01Å; I909-Y1011 HydrophobicContact CG1-CD1 4.08Å; Y910-Y1011 PolarHBondContact O-N 3.29Å; Q911-Y1011 HydrophobicContact CB-CE1 3.97Å; Q911-Y1011 HydrophobicContact CB-CE2 4.18Å; Q911-Y1011 HydrophobicContact CG-CD2 4.47Å; Q911-Y1011 HydrophobicContact CG-CE1 4.48Å; Q911-Y1011 HydrophobicContact CG-CE2 3.78Å; Q911-Y1011 PolarHBondContact OE1-OH 3.37Å; L912-Y1011 PolarHBondContact N-O 2.91Å; L957-Y1011 HydrophobicContact CD1-CD1 4.06Å; L957-Y1011 HydrophobicContact CD1-CE1 3.89Å; T993-Y1011 VanDerWaalsContact O-CA 3.29Å; T993-Y1011 WeakPolarHBondContact O-CA 3.32Å; T993-Y1011 WeakPolarHBondContact O-CB 3.16Å; F994-Y1011 HydrophobicContact CE1-CD1 4.44Å; F994-Y1011 HydrophobicContact CE1-CG 4.17Å; Y1011-F1013 HydrophobicContact CD2-CE2 4.26Å; Y1011-F1013 HydrophobicContact CD2-CZ 4.21Å; Y1011-F1013 AromaticContact CE2-CE2 3.73Å; Y1011-F1013 HydrophobicContact CE2-CE2 3.73Å; Y1011-F1013 AromaticContact CE2-CZ 3.88Å; Y1011-F1013 HydrophobicContact CE2-CZ 3.88Å |
| 1012 | F | 90.4 | Very high | 81.9 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 158.7 | 169.5 | 64.6 | -90.7 | 0 | 0 | 0 | 111.9 | L912 P914 W916 L970 L978 Y992 T993 I995 I1014 | L912-F1012 HydrophobicContact CB-CB 4.31Å; L912-F1012 VanDerWaalsContact O-CB 3.23Å; L912-F1012 WeakPolarHBondContact O-CB 3.38Å; P914-F1012 HydrophobicContact CG-CB 4.21Å; P914-F1012 HydrophobicContact CG-CD1 3.73Å; P914-F1012 HydrophobicContact CG-CD2 3.73Å; P914-F1012 HydrophobicContact CG-CE1 3.89Å; P914-F1012 HydrophobicContact CG-CE2 3.89Å; P914-F1012 HydrophobicContact CG-CG 3.64Å; P914-F1012 HydrophobicContact CG-CZ 3.98Å; W916-F1012 AromaticContact CZ2-CE2 3.97Å; W916-F1012 HydrophobicContact CZ2-CE2 3.97Å; W916-F1012 HydrophobicContact CZ2-CZ 4.44Å; L970-F1012 HydrophobicContact CD2-CZ 4.26Å; L978-F1012 HydrophobicContact CD1-CE1 4.12Å; L978-F1012 HydrophobicContact CD1-CZ 3.97Å; Y992-F1012 WeakPolarHBondContact CA-O 3.29Å; T993-F1012 HydrophobicContact CG2-CD1 3.86Å; T993-F1012 HydrophobicContact CG2-CD2 4.22Å; T993-F1012 HydrophobicContact CG2-CE1 3.42Å; T993-F1012 VanDerWaalsContact CG2-CE1 3.42Å; T993-F1012 HydrophobicContact CG2-CE2 3.81Å; T993-F1012 HydrophobicContact CG2-CG 4.25Å; T993-F1012 HydrophobicContact CG2-CZ 3.39Å; T993-F1012 PolarHBondContact N-O 3.32Å; T993-F1012 VanDerWaalsContact N-O 3.1Å; T993-F1012 PolarHBondContact O-N 3.06Å; T993-F1012 VanDerWaalsContact O-N 3.14Å; I995-F1012 HydrophobicContact CD1-CE1 3.77Å; F1012-I1014 HydrophobicContact CD2-CD1 4.42Å; F1012-I1014 HydrophobicContact CD2-CG1 3.91Å; F1012-I1014 HydrophobicContact CE2-CD1 3.69Å; F1012-I1014 HydrophobicContact CE2-CG1 3.69Å |
| 1013 | F | 88.7 | Confident | 81 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 25% | 0.254 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 150.6 | 175.5 | -60.5 | -67.1 | 0 | 0 | 0 | 111.5 | Q962 Q990 Y991 Y1011 | Q962-F1013 VanDerWaalsContact CD-CE1 3.46Å; Q990-F1013 HydrophobicContact CG-CB 4.24Å; Q990-F1013 HydrophobicContact CG-CD1 4.4Å; Y991-F1013 CarbonylContact O-C 3.54Å; Y991-F1013 VanDerWaalsContact O-CA 3.24Å; Y991-F1013 WeakPolarHBondContact O-CA 3.38Å; Y1011-F1013 HydrophobicContact CD2-CE2 4.26Å; Y1011-F1013 HydrophobicContact CD2-CZ 4.21Å; Y1011-F1013 AromaticContact CE2-CE2 3.73Å; Y1011-F1013 HydrophobicContact CE2-CE2 3.73Å; Y1011-F1013 AromaticContact CE2-CZ 3.88Å; Y1011-F1013 HydrophobicContact CE2-CZ 3.88Å |
| 1014 | I | 88.3 | Confident | 80.4 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129 | 172.3 | -48.8 | -172.2 | 0 | 0 | 0 | 108.2 | L965 L980 L985 Y991 F1012 I1018 | L965-I1014 HydrophobicContact CD1-CD1 3.77Å; L965-I1014 HydrophobicContact CD2-CD1 3.6Å; L965-I1014 HydrophobicContact CG-CD1 4.37Å; L980-I1014 HydrophobicContact CD1-CD1 3.45Å; L980-I1014 VanDerWaalsContact CD1-CD1 3.45Å; L980-I1014 HydrophobicContact CD2-CD1 3.89Å; L980-I1014 HydrophobicContact CD2-CG2 3.94Å; L980-I1014 HydrophobicContact CG-CD1 4.32Å; L985-I1014 HydrophobicContact CD1-CG2 4.01Å; Y991-I1014 PolarHBondContact N-O 2.83Å; Y991-I1014 PolarHBondContact O-N 2.9Å; F1012-I1014 HydrophobicContact CD2-CD1 4.42Å; F1012-I1014 HydrophobicContact CD2-CG1 3.91Å; F1012-I1014 HydrophobicContact CE2-CD1 3.69Å; F1012-I1014 HydrophobicContact CE2-CG1 3.69Å; I1014-I1018 HydrophobicContact CG2-CD1 3.61Å; I1014-I1018 HydrophobicContact CG2-CG1 4.16Å |
| 1015 | Q | 84.6 | Confident | 79.2 | Confident | 109 Ų | 109 | 61.7 Ų | 61.7 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | trans | -142.4 | 139.3 | 174.2 | -172.4 | 176.4 | -10.9 | 0 | 0 | 108.3 | Q990 P1017 I1018 | Q990-Q1015 HydrophobicContact CG-CB 4.39Å; Q1015-P1017 CarbonylContact O-C 3.57Å; Q1015-I1018 WeakPolarHBondContact O-CG1 3.19Å | ||
| 1016 | L | 79.8 | Confident | 77.7 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -84.4 | 146 | 173.6 | -69.5 | 166 | 0 | 0 | 0 | 110.2 | L985 E987 I1018 | L985-L1016 HydrophobicContact CB-CD1 3.98Å; E987-L1016 HydrophobicContact CB-CB 4.35Å; E987-L1016 HydrophobicContact CG-CB 4.02Å; E987-L1016 HydrophobicContact CG-CD1 3.83Å; L1016-I1018 HydrophobicContact CD2-CD1 3.96Å; L1016-I1018 HydrophobicContact CD2-CG1 4.01Å |
| 1017 | P | 77 | Confident | 76.3 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | S | Bend | cis | -74.7 | 140.6 | -4.4 | 31.7 | -35.2 | 0 | 0 | 0 | 112.4 | Q1015 E1025 V1026 | Q1015-P1017 CarbonylContact O-C 3.57Å; P1017-E1025 HydrophobicContact CB-CB 4.31Å; P1017-V1026 WeakPolarHBondContact CA-O 3.36Å |
| 1018 | I | 77.2 | Confident | 74.6 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.6 | 179.7 | -64.2 | 162.8 | 0 | 0 | 0 | 109.9 | W916 L926 L980 I982 I1014 Q1015 L1016 V1026 | W916-I1018 HydrophobicContact CB-CG2 4.18Å; W916-I1018 HydrophobicContact CG-CG2 3.89Å; L926-I1018 HydrophobicContact CD1-CB 3.83Å; L926-I1018 HydrophobicContact CD1-CD1 3.84Å; L926-I1018 HydrophobicContact CD1-CG1 4.46Å; L926-I1018 HydrophobicContact CD1-CG2 3.57Å; L980-I1018 HydrophobicContact CD2-CD1 3.49Å; L980-I1018 VanDerWaalsContact CD2-CD1 3.49Å; I982-I1018 HydrophobicContact CG2-CD1 4Å; I1014-I1018 HydrophobicContact CG2-CD1 3.61Å; I1014-I1018 HydrophobicContact CG2-CG1 4.16Å; Q1015-I1018 WeakPolarHBondContact O-CG1 3.19Å; L1016-I1018 HydrophobicContact CD2-CD1 3.96Å; L1016-I1018 HydrophobicContact CD2-CG1 4.01Å; I1018-V1026 PolarHBondContact N-O 3.32Å; I1018-V1026 PolarHBondContact O-N 3.01Å |
| 1019 | K | 72.6 | Confident | 72.8 | Confident | 172 Ų | 172 | 64.1 Ų | 64.1 | 75% | 0.748 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.6 | -177.8 | -167.2 | 177.7 | -173 | 177.6 | 0 | 110.7 | ||
| 1020 | T | 75.1 | Confident | 71 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -114 | 156.6 | -176.5 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | W916 I918 L926 N1022 K1023 L1024 V1026 | W916-T1020 HydrophobicContact CB-CG2 4.41Å; W916-T1020 CarbonylContact O-C 3.58Å; W916-T1020 WeakPolarHBondContact O-CA 3.15Å; W916-T1020 WeakPolarHBondContact O-CB 3.4Å; I918-T1020 HydrophobicContact CD1-CG2 4.22Å; I918-T1020 HydrophobicContact CG1-CG2 3.82Å; L926-T1020 HydrophobicContact CD2-CG2 4.07Å; T1020-N1022 PolarHBondContact O-N 3.18Å; T1020-N1022 VanDerWaalsContact O-N 3.14Å; T1020-K1023 PolarHBondContact O-N 2.99Å; T1020-L1024 PolarHBondContact OG1-O 3.39Å; T1020-V1026 HydrophobicContact CG2-CG2 4.05Å |
| 1021 | I | 69.1 | Low | 68.9 | Low | 94 Ų | 94 | 70.1 Ų | 70.1 | 48% | 0.482 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.7 | 175.8 | -56 | -175 | 0 | 0 | 0 | 111.3 | I915 W916 E917 K1023 | I915-I1021 HydrophobicContact CG2-CD1 3.59Å; I915-I1021 HydrophobicContact CG2-CG1 3.51Å; W916-I1021 PolarHBondContact O-N 2.66Å; E917-I1021 HydrophobicContact CG-CD1 3.72Å; E917-I1021 HydrophobicContact CG-CG1 4.19Å; I1021-K1023 PolarHBondContact O-N 2.79Å; I1021-K1023 VanDerWaalsContact O-N 3.07Å |
| 1022 | N | 62.8 | Low | 66.5 | Low | 87 Ų | 87 | 77 Ų | 77 | 47% | 0.465 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 5.4 | -176.7 | -65.4 | -24.4 | 0 | 0 | 0 | 114.5 | T1020 L1024 | T1020-N1022 PolarHBondContact O-N 3.18Å; T1020-N1022 VanDerWaalsContact O-N 3.14Å; N1022-L1024 PolarHBondContact O-N 2.85Å; N1022-L1024 VanDerWaalsContact O-N 3.14Å |
| 1023 | K | 52.2 | Low | 64 | Low | 200 Ų | 200 | 84.2 Ų | 84.2 | 87% | 0.87 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 58.2 | 16.4 | -174 | -62.8 | -174.4 | 175.9 | -178.5 | 0 | 115.2 | T1020 I1021 | T1020-K1023 PolarHBondContact O-N 2.99Å; I1021-K1023 PolarHBondContact O-N 2.79Å; I1021-K1023 VanDerWaalsContact O-N 3.07Å |
| 1024 | L | 54.3 | Low | 61.3 | Low | 105 Ų | 105 | 88 Ų | 88 | 55% | 0.55 | 46% | 0.456 | S | S | . | . | trans | -93.6 | 118.6 | 167.8 | -76.7 | 160.5 | 0 | 0 | 0 | 107.9 | I918 T1020 N1022 | I918-L1024 HydrophobicContact CD1-CB 3.79Å; I918-L1024 HydrophobicContact CD1-CD1 3.91Å; T1020-L1024 PolarHBondContact OG1-O 3.39Å; N1022-L1024 PolarHBondContact O-N 2.85Å; N1022-L1024 VanDerWaalsContact O-N 3.14Å | ||
| 1025 | E | 57.7 | Low | 58.7 | Low | 141 Ų | 141 | 93.9 Ų | 93.9 | 66% | 0.659 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123 | 162.2 | -71.5 | 175 | 179.2 | 0 | 0 | 107 | P1017 | P1017-E1025 HydrophobicContact CB-CB 4.31Å |
| 1026 | V | 58.6 | Low | 56.2 | Low | 11 Ų | 11 | 98.4 Ų | 98.4 | 7% | 0.067 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.7 | -176.4 | -164.4 | 0 | 0 | 0 | 0 | 109.2 | I918 L926 I982 P1017 I1018 T1020 | I918-V1026 HydrophobicContact CD1-CG2 3.82Å; I918-V1026 HydrophobicContact CG1-CG2 4.27Å; L926-V1026 HydrophobicContact CD2-CG2 4.44Å; I982-V1026 HydrophobicContact CD1-CB 4.34Å; I982-V1026 HydrophobicContact CD1-CG1 3.36Å; P1017-V1026 WeakPolarHBondContact CA-O 3.36Å; I1018-V1026 PolarHBondContact N-O 3.32Å; I1018-V1026 PolarHBondContact O-N 3.01Å; T1020-V1026 HydrophobicContact CG2-CG2 4.05Å |
| 1027 | S | 60.7 | Low | 53.8 | Low | 34 Ų | 34 | 104 Ų | 104 | 24% | 0.238 | 53% | 0.531 | C | S | . | . | trans | -115.3 | 164.1 | 178.4 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | E987 D1029 S1030 | E987-S1027 WeakPolarHBondContact OE1-CB 3.28Å; S1027-D1029 VanDerWaalsContact C-N 3.26Å; S1027-D1029 PolarHBondContact O-N 3.38Å; S1027-S1030 WeakPolarHBondContact O-CB 3.48Å; S1027-S1030 PolarHBondContact O-N 2.76Å; S1027-S1030 VanDerWaalsContact O-N 3.1Å; S1027-S1030 PolarHBondContact O-OG 3.4Å | ||
| 1028 | M | 54.8 | Low | 51.7 | Low | 76 Ų | 76 | 106 Ų | 106 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -64.9 | -32.1 | 179.7 | -151.2 | 176.1 | -162.2 | 0 | 0 | 111.7 | L985 E987 S1030 L1031 | L985-M1028 VanDerWaalsContact O-CE 3.22Å; L985-M1028 WeakPolarHBondContact O-CE 3.2Å; E987-M1028 HydrophobicContact CG-CB 3.78Å; E987-M1028 HydrophobicContact CG-SD 4.39Å; E987-M1028 WeakPolarHBondContact OE1-CB 3.48Å; E987-M1028 PolarHBondContact OE1-N 3.36Å; M1028-S1030 PolarHBondContact O-N 2.86Å; M1028-L1031 HydrophobicContact CG-CD1 4.3Å; M1028-L1031 VanDerWaalsContact O-CG 3.29Å; M1028-L1031 WeakPolarHBondContact O-CG 3.4Å; M1028-L1031 PolarHBondContact O-N 2.73Å |
| 1029 | D | 53.3 | Low | 49.6 | Very low | 140 Ų | 140 | 114 Ų | 114 | 75% | 0.749 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -61 | -23.5 | 172.7 | -85.4 | -19.6 | 0 | 0 | 0 | 113.9 | S1027 L1031 | S1027-D1029 VanDerWaalsContact C-N 3.26Å; S1027-D1029 PolarHBondContact O-N 3.38Å; D1029-L1031 PolarHBondContact O-N 3.21Å |
| 1030 | S | 53.2 | Low | 47.5 | Very low | 58 Ų | 58 | 112.5 Ų | 112.5 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -73.5 | -7.4 | -176.9 | 72.5 | 0 | 0 | 0 | 0 | 114.5 | S1027 M1028 N1032 | S1027-S1030 WeakPolarHBondContact O-CB 3.48Å; S1027-S1030 PolarHBondContact O-N 2.76Å; S1027-S1030 VanDerWaalsContact O-N 3.1Å; S1027-S1030 PolarHBondContact O-OG 3.4Å; M1028-S1030 PolarHBondContact O-N 2.86Å; S1030-N1032 VanDerWaalsContact C-N 3.28Å; S1030-N1032 PolarHBondContact O-N 3.25Å |
| 1031 | L | 46.8 | Very low | 45.3 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 35% | 0.351 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -76.9 | -3.9 | -171 | -61.5 | 177 | 0 | 0 | 0 | 115.1 | I924 M1028 D1029 | I924-L1031 HydrophobicContact CG2-CD2 3.55Å; M1028-L1031 HydrophobicContact CG-CD1 4.3Å; M1028-L1031 VanDerWaalsContact O-CG 3.29Å; M1028-L1031 WeakPolarHBondContact O-CG 3.4Å; M1028-L1031 PolarHBondContact O-N 2.73Å; D1029-L1031 PolarHBondContact O-N 3.21Å |
| 1032 | N | 39.4 | Very low | 43.3 | Very low | 155 Ų | 155 | 123.1 Ų | 123.1 | 83% | 0.829 | 63% | 0.631 | S | S | * | * | trans | -103.2 | 55.5 | -175.8 | -85.4 | -48.7 | 0 | 0 | 0 | 114.3 | S1030 | S1030-N1032 VanDerWaalsContact C-N 3.28Å; S1030-N1032 PolarHBondContact O-N 3.25Å | ||
| 1033 | I | 37.7 | Very low | 41.7 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | trans | -127.6 | 92.6 | 169.6 | -54.2 | -176.5 | 0 | 0 | 0 | 111.8 | ||||
| 1034 | T | 31.8 | Very low | 40.6 | Very low | 136 Ų | 136 | 121.7 Ų | 121.7 | 83% | 0.834 | 64% | 0.639 | S | S | * | * | trans | -90.5 | 94.3 | 162.2 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1035 | D | 34.5 | Very low | 39.4 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | -174.5 | 130.5 | 121.7 | -115.8 | -36.5 | 0 | 0 | 0 | 116 | |||||
| 1036 | R | 31 | Very low | 37.9 | Very low | 204 Ų | 204 | 125.2 Ų | 125.2 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | trans | 13.6 | 126.6 | 142 | -73.1 | 172.6 | 172.2 | 166.6 | -1.3 | 122.6 | ||||
| 1037 | N | 31.1 | Very low | 36.5 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | 92.8 | 126 | 122.6 | -67.4 | -2.7 | 0 | 0 | 0 | 121.7 | |||||
| 1038 | T | 31.5 | Very low | 35.1 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | 59.8 | 114.2 | 141.9 | 55.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1039 | H | 33.5 | Very low | 34 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 82% | 0.819 | 73% | 0.725 | S | S | * | * | -163 | 155.7 | 92.6 | -112.6 | -86.6 | 0 | 0 | 0 | 113.4 | |||||
| 1040 | L | 28.4 | Very low | 33 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | -84.7 | 153.7 | 172.7 | -56.6 | 83.7 | 0 | 0 | 0 | 109.6 | ||||
| 1041 | M | 28.2 | Very low | 32 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | -176.4 | 166.9 | 74.8 | -86.3 | -161.9 | 172.7 | 0 | 0 | 113.1 | |||||
| 1042 | N | 27.4 | Very low | 31.4 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -65.7 | 155.1 | 165.7 | -60.5 | -38.4 | 0 | 0 | 0 | 112.6 | ||||
| 1043 | I | 29.9 | Very low | 31.2 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | -178.5 | 157.9 | 111.8 | -92.5 | 161 | 0 | 0 | 0 | 110.8 | |||||
| 1044 | S | 28.8 | Very low | 31 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | trans | -85.3 | 176.1 | -171.7 | 51.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1045 | H | 29.3 | Very low | 30.9 | Very low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | 93.3 | 130.5 | 153.2 | -84.4 | -72.4 | 0 | 0 | 0 | 121.2 | ||||
| 1046 | L | 27 | Very low | 30.9 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | 66 | 151.8 | 162.4 | -79.9 | 76.7 | 0 | 0 | 0 | 117.8 | ||||
| 1047 | A | 29.4 | Very low | 30.9 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | cis | -169.4 | 160 | -25 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1048 | T | 30 | Very low | 31.1 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | 55.4 | 123.4 | 155.6 | 50.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1049 | N | 32.7 | Very low | 31.5 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | 68.3 | 145.4 | 146.2 | -63.1 | -9.9 | 0 | 0 | 0 | 117.5 | ||||
| 1050 | N | 30.6 | Very low | 32 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 60% | 0.604 | 72% | 0.722 | S | S | * | * | cis | -147.6 | 148.8 | 27.4 | -140.7 | 8.4 | 0 | 0 | 0 | 113.4 | ||||
| 1051 | Q | 33.7 | Very low | 32.8 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | 44.6 | 145.6 | 133.2 | -76.8 | 171.8 | -10 | 0 | 0 | 121.7 | ||||
| 1052 | S | 33.5 | Very low | 33.8 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | cis | -172.8 | 149 | 5.3 | 38.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1053 | T | 35.3 | Very low | 35.1 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | trans | 64.4 | 150.6 | 151.1 | 55.3 | 0 | 0 | 0 | 0 | 118.1 | L1055 | T1053-L1055 HydrophobicContact CG2-CD1 4.27Š| ||
| 1054 | W | 33.9 | Very low | 36.4 | Very low | 219 Ų | 219 | 129.6 Ų | 129.6 | 83% | 0.83 | 66% | 0.662 | S | S | * | * | cis | -133 | 124 | 23.8 | -80.6 | 73.9 | 0 | 0 | 0 | 114.7 | ||||
| 1055 | L | 30 | Very low | 37.9 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | 41.1 | 97.2 | 111.4 | -77.9 | 146.8 | 0 | 0 | 0 | 120 | T1053 | T1053-L1055 HydrophobicContact CG2-CD1 4.27Š| |||
| 1056 | W | 34.1 | Very low | 39.5 | Very low | 230 Ų | 230 | 126.7 Ų | 126.7 | 87% | 0.871 | 65% | 0.648 | S | S | * | * | -166.7 | 42.7 | 128 | -119 | 86.7 | 0 | 0 | 0 | 113.8 | |||||
| 1057 | L | 29.7 | Very low | 41.4 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 78% | 0.78 | 63% | 0.632 | S | S | * | * | trans | -132.4 | 109.6 | 176.7 | -79.1 | 171.6 | 0 | 0 | 0 | 111.4 | ||||
| 1058 | N | 35.6 | Very low | 43.2 | Very low | 135 Ų | 135 | 125 Ų | 125 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -165 | -36.3 | 151.6 | -104 | -22.5 | 0 | 0 | 0 | 112.8 | F1060 K1061 | N1058-F1060 VanDerWaalsContact C-N 3.31Å; N1058-F1060 PolarHBondContact O-N 2.87Å; N1058-K1061 PolarHBondContact O-N 2.97Å |
| 1059 | E | 41.4 | Very low | 45.3 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 60% | 0.603 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -51.1 | -47.4 | 175.4 | -76.5 | -64 | 117.1 | 0 | 0 | 112.2 | K1061 V1062 I1063 | E1059-K1061 VanDerWaalsContact C-N 3.29Å; E1059-K1061 PolarHBondContact O-N 3.46Å; E1059-K1061 VanDerWaalsContact O-N 3.15Å; E1059-V1062 PolarHBondContact O-N 3.5Å; E1059-V1062 VanDerWaalsContact O-N 3.07Å; E1059-I1063 HydrophobicContact CB-CD1 4.11Å; E1059-I1063 WeakPolarHBondContact O-CB 3.32Å; E1059-I1063 WeakPolarHBondContact O-CG1 3.23Å; E1059-I1063 PolarHBondContact O-N 2.87Å |
| 1060 | F | 43.6 | Very low | 47.2 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 56% | 0.557 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62 | -25.7 | -174.7 | -88.8 | -81.6 | 0 | 0 | 0 | 115.4 | N1058 I1064 | N1058-F1060 VanDerWaalsContact C-N 3.31Å; N1058-F1060 PolarHBondContact O-N 2.87Å; F1060-I1064 VanDerWaalsContact O-CB 3.25Å; F1060-I1064 WeakPolarHBondContact O-CB 3.36Å; F1060-I1064 WeakPolarHBondContact O-CD1 3.36Å; F1060-I1064 WeakPolarHBondContact O-CG1 3.29Å; F1060-I1064 PolarHBondContact O-N 3Å |
| 1061 | K | 45.3 | Very low | 49.3 | Very low | 166 Ų | 166 | 117.9 Ų | 117.9 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.9 | -35.7 | 174.1 | -79.4 | -171.7 | 175.3 | -178.4 | 0 | 112.2 | N1058 E1059 V1065 | N1058-K1061 PolarHBondContact O-N 2.97Å; E1059-K1061 VanDerWaalsContact C-N 3.29Å; E1059-K1061 PolarHBondContact O-N 3.46Å; E1059-K1061 VanDerWaalsContact O-N 3.15Å; K1061-V1065 WeakPolarHBondContact O-CG2 3.37Å; K1061-V1065 PolarHBondContact O-N 3.32Å |
| 1062 | V | 48.7 | Very low | 51.3 | Low | 87 Ų | 87 | 114.8 Ų | 114.8 | 53% | 0.527 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.2 | -42.7 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | E1059 V1065 L1066 | E1059-V1062 PolarHBondContact O-N 3.5Å; E1059-V1062 VanDerWaalsContact O-N 3.07Å; V1062-V1065 PolarHBondContact O-N 3.1Å; V1062-L1066 HydrophobicContact CG1-CD1 3.91Å; V1062-L1066 HydrophobicContact CG1-CG 4.29Å; V1062-L1066 VanDerWaalsContact O-CB 3.28Å; V1062-L1066 WeakPolarHBondContact O-CB 3.46Å; V1062-L1066 VanDerWaalsContact O-CG 3.26Å; V1062-L1066 WeakPolarHBondContact O-CG 3.32Å; V1062-L1066 PolarHBondContact O-N 2.9Å |
| 1063 | I | 54.2 | Low | 53.5 | Low | 59 Ų | 59 | 115.6 Ų | 115.6 | 30% | 0.303 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -39.9 | 175 | -68.7 | 170.3 | 0 | 0 | 0 | 111.5 | E1059 L1066 I1067 | E1059-I1063 HydrophobicContact CB-CD1 4.11Å; E1059-I1063 WeakPolarHBondContact O-CB 3.32Å; E1059-I1063 WeakPolarHBondContact O-CG1 3.23Å; E1059-I1063 PolarHBondContact O-N 2.87Å; I1063-L1066 CarbonylContact O-C 3.52Å; I1063-L1066 PolarHBondContact O-N 2.66Å; I1063-I1067 HydrophobicContact CG2-CD1 3.61Å; I1063-I1067 HydrophobicContact CG2-CG1 4.22Å; I1063-I1067 VanDerWaalsContact O-CB 3.29Å; I1063-I1067 WeakPolarHBondContact O-CB 3.49Å; I1063-I1067 WeakPolarHBondContact O-CG1 3.4Å; I1063-I1067 PolarHBondContact O-N 3.32Å |
| 1064 | I | 57.8 | Low | 55.6 | Low | 88 Ų | 88 | 114.9 Ų | 114.9 | 45% | 0.451 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68 | -39.7 | 175.2 | -74.6 | 165.9 | 0 | 0 | 0 | 111.4 | F1060 I1067 I1068 | F1060-I1064 VanDerWaalsContact O-CB 3.25Å; F1060-I1064 WeakPolarHBondContact O-CB 3.36Å; F1060-I1064 WeakPolarHBondContact O-CD1 3.36Å; F1060-I1064 WeakPolarHBondContact O-CG1 3.29Å; F1060-I1064 PolarHBondContact O-N 3Å; I1064-I1067 PolarHBondContact O-N 2.85Å; I1064-I1068 HydrophobicContact CG2-CD1 3.72Å; I1064-I1068 HydrophobicContact CG2-CG1 4.4Å; I1064-I1068 WeakPolarHBondContact O-CB 3.44Å; I1064-I1068 VanDerWaalsContact O-CG1 3.23Å; I1064-I1068 WeakPolarHBondContact O-CG1 3.44Å; I1064-I1068 PolarHBondContact O-N 3.07Å |
| 1065 | V | 59.6 | Low | 57.6 | Low | 96 Ų | 96 | 108.8 Ų | 108.8 | 58% | 0.582 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.4 | -35.3 | 173.9 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | K1061 V1062 S1069 | K1061-V1065 WeakPolarHBondContact O-CG2 3.37Å; K1061-V1065 PolarHBondContact O-N 3.32Å; V1062-V1065 PolarHBondContact O-N 3.1Å; V1065-S1069 WeakPolarHBondContact O-CB 3.29Å; V1065-S1069 PolarHBondContact O-N 2.81Å; V1065-S1069 PolarHBondContact O-OG 3.46Å |
| 1066 | L | 63.4 | Low | 59.9 | Low | 96 Ų | 96 | 107.6 Ų | 107.6 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 172.2 | -74.9 | 174.3 | 0 | 0 | 0 | 112.1 | V1062 I1063 S1069 F1070 | V1062-L1066 HydrophobicContact CG1-CD1 3.91Å; V1062-L1066 HydrophobicContact CG1-CG 4.29Å; V1062-L1066 VanDerWaalsContact O-CB 3.28Å; V1062-L1066 WeakPolarHBondContact O-CB 3.46Å; V1062-L1066 VanDerWaalsContact O-CG 3.26Å; V1062-L1066 WeakPolarHBondContact O-CG 3.32Å; V1062-L1066 PolarHBondContact O-N 2.9Å; I1063-L1066 CarbonylContact O-C 3.52Å; I1063-L1066 PolarHBondContact O-N 2.66Å; L1066-S1069 WeakPolarHBondContact CA-OG 3.34Å; L1066-S1069 PolarHBondContact O-OG 3.18Å; L1066-F1070 VanDerWaalsContact O-CB 3.29Å; L1066-F1070 WeakPolarHBondContact O-CB 3.37Å; L1066-F1070 PolarHBondContact O-N 3.23Å |
| 1067 | I | 67.8 | Low | 62.1 | Low | 97 Ų | 97 | 99.1 Ų | 99.1 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.4 | -40.9 | 174.5 | -74.4 | 169.1 | 0 | 0 | 0 | 110.6 | I1063 I1064 F1070 S1071 | I1063-I1067 HydrophobicContact CG2-CD1 3.61Å; I1063-I1067 HydrophobicContact CG2-CG1 4.22Å; I1063-I1067 VanDerWaalsContact O-CB 3.29Å; I1063-I1067 WeakPolarHBondContact O-CB 3.49Å; I1063-I1067 WeakPolarHBondContact O-CG1 3.4Å; I1063-I1067 PolarHBondContact O-N 3.32Å; I1064-I1067 PolarHBondContact O-N 2.85Å; I1067-F1070 PolarHBondContact O-N 2.77Å; I1067-S1071 WeakPolarHBondContact O-CB 3.4Å; I1067-S1071 PolarHBondContact O-N 3.21Å; I1067-S1071 PolarHBondContact O-OG 3.32Å |
| 1068 | I | 67.4 | Low | 64.4 | Low | 97 Ų | 97 | 96.6 Ų | 96.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 175.5 | -71.5 | 167.2 | 0 | 0 | 0 | 110.2 | I1064 S1071 L1072 | I1064-I1068 HydrophobicContact CG2-CD1 3.72Å; I1064-I1068 HydrophobicContact CG2-CG1 4.4Å; I1064-I1068 WeakPolarHBondContact O-CB 3.44Å; I1064-I1068 VanDerWaalsContact O-CG1 3.23Å; I1064-I1068 WeakPolarHBondContact O-CG1 3.44Å; I1064-I1068 PolarHBondContact O-N 3.07Å; I1068-S1071 PolarHBondContact O-N 3.19Å; I1068-L1072 HydrophobicContact CG2-CD1 4.29Å; I1068-L1072 WeakPolarHBondContact O-CB 3.43Å; I1068-L1072 PolarHBondContact O-N 3.19Å |
| 1069 | S | 72.4 | Confident | 66.5 | Low | 43 Ų | 43 | 94.4 Ų | 94.4 | 30% | 0.301 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.5 | -37 | 175.5 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | V1065 L1066 S1071 L1072 I1073 | V1065-S1069 WeakPolarHBondContact O-CB 3.29Å; V1065-S1069 PolarHBondContact O-N 2.81Å; V1065-S1069 PolarHBondContact O-OG 3.46Å; L1066-S1069 WeakPolarHBondContact CA-OG 3.34Å; L1066-S1069 PolarHBondContact O-OG 3.18Å; S1069-S1071 VanDerWaalsContact C-N 3.35Å; S1069-L1072 PolarHBondContact O-N 3.32Å; S1069-I1073 WeakPolarHBondContact O-CB 3.37Å; S1069-I1073 WeakPolarHBondContact O-CD1 3.24Å; S1069-I1073 VanDerWaalsContact O-CG1 3.23Å; S1069-I1073 WeakPolarHBondContact O-CG1 3.41Å; S1069-I1073 PolarHBondContact O-N 3.35Å |
| 1070 | F | 72.4 | Confident | 68.3 | Low | 137 Ų | 137 | 93.8 Ų | 93.8 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -38.7 | 169.5 | -114.1 | -95.5 | 0 | 0 | 0 | 111.7 | L1066 I1067 I1073 I1074 | L1066-F1070 VanDerWaalsContact O-CB 3.29Å; L1066-F1070 WeakPolarHBondContact O-CB 3.37Å; L1066-F1070 PolarHBondContact O-N 3.23Å; I1067-F1070 PolarHBondContact O-N 2.77Å; F1070-I1073 PolarHBondContact O-N 3.35Å; F1070-I1074 HydrophobicContact CD1-CD1 4.17Å; F1070-I1074 VanDerWaalsContact O-CB 3.28Å; F1070-I1074 WeakPolarHBondContact O-CB 3.47Å; F1070-I1074 WeakPolarHBondContact O-CG1 3.34Å; F1070-I1074 PolarHBondContact O-N 2.61Å |
| 1071 | S | 75.5 | Confident | 70 | Confident | 52 Ų | 52 | 92.2 Ų | 92.2 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | I1067 I1068 S1069 I1074 I1075 | I1067-S1071 WeakPolarHBondContact O-CB 3.4Å; I1067-S1071 PolarHBondContact O-N 3.21Å; I1067-S1071 PolarHBondContact O-OG 3.32Å; I1068-S1071 PolarHBondContact O-N 3.19Å; S1069-S1071 VanDerWaalsContact C-N 3.35Å; S1071-I1074 PolarHBondContact O-N 3.29Å; S1071-I1075 VanDerWaalsContact O-CB 3.24Å; S1071-I1075 WeakPolarHBondContact O-CB 3.36Å; S1071-I1075 WeakPolarHBondContact O-CD1 3.27Å; S1071-I1075 WeakPolarHBondContact O-CG1 3.45Å; S1071-I1075 PolarHBondContact O-N 3.08Å |
| 1072 | L | 76.5 | Confident | 71.3 | Confident | 95 Ų | 95 | 90.6 Ų | 90.6 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 170.8 | -94.9 | 157.9 | 0 | 0 | 0 | 112.2 | I1068 S1069 I1075 L1076 | I1068-L1072 HydrophobicContact CG2-CD1 4.29Å; I1068-L1072 WeakPolarHBondContact O-CB 3.43Å; I1068-L1072 PolarHBondContact O-N 3.19Å; S1069-L1072 PolarHBondContact O-N 3.32Å; L1072-I1075 PolarHBondContact O-N 3.44Å; L1072-L1076 VanDerWaalsContact O-CB 3.22Å; L1072-L1076 WeakPolarHBondContact O-CB 3.4Å; L1072-L1076 WeakPolarHBondContact O-CG 3.15Å; L1072-L1076 PolarHBondContact O-N 3.15Å |
| 1073 | I | 79.2 | Confident | 72.7 | Confident | 104 Ų | 104 | 89.1 Ų | 89.1 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 175.6 | -71.1 | 163 | 0 | 0 | 0 | 110.9 | S1069 F1070 L1076 S1077 | S1069-I1073 WeakPolarHBondContact O-CB 3.37Å; S1069-I1073 WeakPolarHBondContact O-CD1 3.24Å; S1069-I1073 VanDerWaalsContact O-CG1 3.23Å; S1069-I1073 WeakPolarHBondContact O-CG1 3.41Å; S1069-I1073 PolarHBondContact O-N 3.35Å; F1070-I1073 PolarHBondContact O-N 3.35Å; I1073-L1076 PolarHBondContact O-N 2.78Å; I1073-S1077 VanDerWaalsContact O-CB 3.26Å; I1073-S1077 WeakPolarHBondContact O-CB 3.25Å; I1073-S1077 PolarHBondContact O-N 2.88Å; I1073-S1077 PolarHBondContact O-OG 2.73Å |
| 1074 | I | 78.8 | Confident | 73.7 | Confident | 81 Ų | 81 | 90.9 Ų | 90.9 | 42% | 0.415 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -49.8 | 174.8 | -73.7 | 165.9 | 0 | 0 | 0 | 109.7 | F1070 S1071 L1076 S1077 I1078 | F1070-I1074 HydrophobicContact CD1-CD1 4.17Å; F1070-I1074 VanDerWaalsContact O-CB 3.28Å; F1070-I1074 WeakPolarHBondContact O-CB 3.47Å; F1070-I1074 WeakPolarHBondContact O-CG1 3.34Å; F1070-I1074 PolarHBondContact O-N 2.61Å; S1071-I1074 PolarHBondContact O-N 3.29Å; I1074-L1076 PolarHBondContact O-N 2.63Å; I1074-S1077 CarbonylContact O-C 3.55Å; I1074-S1077 PolarHBondContact O-N 2.77Å; I1074-S1077 VanDerWaalsContact O-N 3.15Å; I1074-S1077 PolarHBondContact O-OG 2.72Å; I1074-I1078 HydrophobicContact CG2-CD1 3.65Å; I1074-I1078 HydrophobicContact CG2-CG1 4.34Å; I1074-I1078 WeakPolarHBondContact O-CB 3.29Å; I1074-I1078 VanDerWaalsContact O-CG1 3.28Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.26Å; I1074-I1078 PolarHBondContact O-N 2.81Å |
| 1075 | I | 75.4 | Confident | 74.4 | Confident | 91 Ų | 91 | 91 Ų | 91 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 176.2 | -72.2 | 164 | 0 | 0 | 0 | 110.9 | S1071 L1072 S1077 I1078 I1079 | S1071-I1075 VanDerWaalsContact O-CB 3.24Å; S1071-I1075 WeakPolarHBondContact O-CB 3.36Å; S1071-I1075 WeakPolarHBondContact O-CD1 3.27Å; S1071-I1075 WeakPolarHBondContact O-CG1 3.45Å; S1071-I1075 PolarHBondContact O-N 3.08Å; L1072-I1075 PolarHBondContact O-N 3.44Å; I1075-S1077 VanDerWaalsContact C-N 3.35Å; I1075-S1077 PolarHBondContact O-N 3.07Å; I1075-I1078 PolarHBondContact O-N 3.27Å; I1075-I1079 HydrophobicContact CG2-CD1 3.7Å; I1075-I1079 HydrophobicContact CG2-CG1 4.4Å; I1075-I1079 WeakPolarHBondContact O-CB 3.28Å; I1075-I1079 VanDerWaalsContact O-CG1 3.23Å; I1075-I1079 WeakPolarHBondContact O-CG1 3.24Å; I1075-I1079 PolarHBondContact O-N 2.84Å |
| 1076 | L | 78.1 | Confident | 74.8 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 175.8 | -73.8 | 167.9 | 0 | 0 | 0 | 112.1 | L1072 I1073 I1074 M1080 | L1072-L1076 VanDerWaalsContact O-CB 3.22Å; L1072-L1076 WeakPolarHBondContact O-CB 3.4Å; L1072-L1076 WeakPolarHBondContact O-CG 3.15Å; L1072-L1076 PolarHBondContact O-N 3.15Å; I1073-L1076 PolarHBondContact O-N 2.78Å; I1074-L1076 PolarHBondContact O-N 2.63Å; L1076-M1080 VanDerWaalsContact O-CB 3.32Å; L1076-M1080 WeakPolarHBondContact O-CB 3.49Å; L1076-M1080 WeakPolarHBondContact O-CG 3.33Å; L1076-M1080 PolarHBondContact O-N 2.8Å |
| 1077 | S | 81 | Confident | 75 | Confident | 52 Ų | 52 | 92.2 Ų | 92.2 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.3 | -36.9 | 173.3 | 80.1 | 0 | 0 | 0 | 0 | 112 | I1073 I1074 I1075 M1080 I1081 | I1073-S1077 VanDerWaalsContact O-CB 3.26Å; I1073-S1077 WeakPolarHBondContact O-CB 3.25Å; I1073-S1077 PolarHBondContact O-N 2.88Å; I1073-S1077 PolarHBondContact O-OG 2.73Å; I1074-S1077 CarbonylContact O-C 3.55Å; I1074-S1077 PolarHBondContact O-N 2.77Å; I1074-S1077 VanDerWaalsContact O-N 3.15Å; I1074-S1077 PolarHBondContact O-OG 2.72Å; I1075-S1077 VanDerWaalsContact C-N 3.35Å; I1075-S1077 PolarHBondContact O-N 3.07Å; S1077-M1080 PolarHBondContact O-N 2.96Å; S1077-I1081 VanDerWaalsContact O-CB 3.29Å; S1077-I1081 WeakPolarHBondContact O-CB 3.46Å; S1077-I1081 WeakPolarHBondContact O-CD1 3.2Å; S1077-I1081 WeakPolarHBondContact O-CG1 3.35Å; S1077-I1081 PolarHBondContact O-N 2.8Å |
| 1078 | I | 79 | Confident | 74.9 | Confident | 95 Ų | 95 | 93.8 Ų | 93.8 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 174.5 | -71.9 | 169.4 | 0 | 0 | 0 | 109.2 | I1074 I1075 I1081 F1082 | I1074-I1078 HydrophobicContact CG2-CD1 3.65Å; I1074-I1078 HydrophobicContact CG2-CG1 4.34Å; I1074-I1078 WeakPolarHBondContact O-CB 3.29Å; I1074-I1078 VanDerWaalsContact O-CG1 3.28Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.26Å; I1074-I1078 PolarHBondContact O-N 2.81Å; I1075-I1078 PolarHBondContact O-N 3.27Å; I1078-I1081 CarbonylContact O-C 3.55Å; I1078-I1081 PolarHBondContact O-N 2.9Å; I1078-F1082 WeakPolarHBondContact O-CB 3.17Å; I1078-F1082 PolarHBondContact O-N 2.95Å |
| 1079 | I | 78.2 | Confident | 74.4 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 46% | 0.456 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 173.1 | -70.5 | 166.7 | 0 | 0 | 0 | 110.3 | I1075 F1082 V1083 | I1075-I1079 HydrophobicContact CG2-CD1 3.7Å; I1075-I1079 HydrophobicContact CG2-CG1 4.4Å; I1075-I1079 WeakPolarHBondContact O-CB 3.28Å; I1075-I1079 VanDerWaalsContact O-CG1 3.23Å; I1075-I1079 WeakPolarHBondContact O-CG1 3.24Å; I1075-I1079 PolarHBondContact O-N 2.84Å; I1079-F1082 CarbonylContact O-C 3.53Å; I1079-F1082 PolarHBondContact O-N 2.85Å; I1079-V1083 HydrophobicContact CG2-CG2 4.27Å; I1079-V1083 VanDerWaalsContact O-CB 3.28Å; I1079-V1083 WeakPolarHBondContact O-CB 3.47Å; I1079-V1083 VanDerWaalsContact O-CG2 3.27Å; I1079-V1083 WeakPolarHBondContact O-CG2 3.27Å; I1079-V1083 PolarHBondContact O-N 3.21Å |
| 1080 | M | 79.4 | Confident | 73.5 | Confident | 116 Ų | 116 | 98.5 Ų | 98.5 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.7 | -39.7 | 173.8 | -84.5 | -72.9 | -79.6 | 0 | 0 | 112.1 | L1076 S1077 F1082 V1083 I1084 | L1076-M1080 VanDerWaalsContact O-CB 3.32Å; L1076-M1080 WeakPolarHBondContact O-CB 3.49Å; L1076-M1080 WeakPolarHBondContact O-CG 3.33Å; L1076-M1080 PolarHBondContact O-N 2.8Å; S1077-M1080 PolarHBondContact O-N 2.96Å; M1080-F1082 VanDerWaalsContact C-N 3.33Å; M1080-V1083 PolarHBondContact O-N 3.02Å; M1080-I1084 WeakPolarHBondContact O-CB 3.46Å; M1080-I1084 WeakPolarHBondContact O-CD1 3.33Å; M1080-I1084 WeakPolarHBondContact O-CG1 3.42Å; M1080-I1084 PolarHBondContact O-N 2.85Å |
| 1081 | I | 79.3 | Confident | 72.6 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | 172.6 | -74.2 | 163.4 | 0 | 0 | 0 | 110.5 | S1077 I1078 I1084 L1085 | S1077-I1081 VanDerWaalsContact O-CB 3.29Å; S1077-I1081 WeakPolarHBondContact O-CB 3.46Å; S1077-I1081 WeakPolarHBondContact O-CD1 3.2Å; S1077-I1081 WeakPolarHBondContact O-CG1 3.35Å; S1077-I1081 PolarHBondContact O-N 2.8Å; I1078-I1081 CarbonylContact O-C 3.55Å; I1078-I1081 PolarHBondContact O-N 2.9Å; I1081-I1084 CarbonylContact O-C 3.55Å; I1081-I1084 PolarHBondContact O-N 2.82Å; I1081-L1085 HydrophobicContact CG2-CD1 3.83Å; I1081-L1085 HydrophobicContact CG2-CG 4.36Å; I1081-L1085 WeakPolarHBondContact O-CA 3.24Å; I1081-L1085 WeakPolarHBondContact O-CB 3.23Å; I1081-L1085 WeakPolarHBondContact O-CG 3.28Å; I1081-L1085 PolarHBondContact O-N 2.87Å |
| 1082 | F | 74.3 | Confident | 71.3 | Confident | 132 Ų | 132 | 103.6 Ų | 103.6 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -76.8 | -34.4 | 178.8 | -151.4 | -104.4 | 0 | 0 | 0 | 111.4 | I1078 I1079 M1080 L1085 I1086 | I1078-F1082 WeakPolarHBondContact O-CB 3.17Å; I1078-F1082 PolarHBondContact O-N 2.95Å; I1079-F1082 CarbonylContact O-C 3.53Å; I1079-F1082 PolarHBondContact O-N 2.85Å; M1080-F1082 VanDerWaalsContact C-N 3.33Å; F1082-L1085 CarbonylContact O-C 3.52Å; F1082-L1085 PolarHBondContact O-N 3.37Å; F1082-I1086 HydrophobicContact CD1-CD1 3.54Å; F1082-I1086 HydrophobicContact CD1-CG1 4.27Å; F1082-I1086 HydrophobicContact CE1-CD1 3.71Å; F1082-I1086 HydrophobicContact CE1-CG1 4.42Å; F1082-I1086 WeakPolarHBondContact O-CB 3.31Å; F1082-I1086 WeakPolarHBondContact O-CG1 3.5Å; F1082-I1086 PolarHBondContact O-N 3.19Å |
| 1083 | V | 76.6 | Confident | 69.8 | Low | 57 Ų | 57 | 106.5 Ų | 106.5 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.1 | -35 | 170.5 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | I1079 M1080 K1087 | I1079-V1083 HydrophobicContact CG2-CG2 4.27Å; I1079-V1083 VanDerWaalsContact O-CB 3.28Å; I1079-V1083 WeakPolarHBondContact O-CB 3.47Å; I1079-V1083 VanDerWaalsContact O-CG2 3.27Å; I1079-V1083 WeakPolarHBondContact O-CG2 3.27Å; I1079-V1083 PolarHBondContact O-N 3.21Å; M1080-V1083 PolarHBondContact O-N 3.02Å; V1083-K1087 HydrophobicContact CG1-CD 4.23Å; V1083-K1087 VanDerWaalsContact O-CB 3.23Å; V1083-K1087 WeakPolarHBondContact O-CB 3.36Å; V1083-K1087 VanDerWaalsContact O-CG 3.26Å; V1083-K1087 WeakPolarHBondContact O-CG 3.29Å; V1083-K1087 PolarHBondContact O-N 3.16Å |
| 1084 | I | 75.9 | Confident | 68.1 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 170 | -73.4 | 165.1 | 0 | 0 | 0 | 109.5 | M1080 I1081 K1087 F1088 | M1080-I1084 WeakPolarHBondContact O-CB 3.46Å; M1080-I1084 WeakPolarHBondContact O-CD1 3.33Å; M1080-I1084 WeakPolarHBondContact O-CG1 3.42Å; M1080-I1084 PolarHBondContact O-N 2.85Å; I1081-I1084 CarbonylContact O-C 3.55Å; I1081-I1084 PolarHBondContact O-N 2.82Å; I1084-K1087 CarbonylContact O-C 3.56Å; I1084-K1087 PolarHBondContact O-N 2.95Å; I1084-F1088 WeakPolarHBondContact O-CA 3.37Å; I1084-F1088 WeakPolarHBondContact O-CB 3.44Å; I1084-F1088 PolarHBondContact O-N 3Å |
| 1085 | L | 72.4 | Confident | 66.2 | Low | 92 Ų | 92 | 113.8 Ų | 113.8 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69 | -31.6 | 174.5 | -78.2 | 169.1 | 0 | 0 | 0 | 112.1 | I1081 F1082 F1088 Q1089 | I1081-L1085 HydrophobicContact CG2-CD1 3.83Å; I1081-L1085 HydrophobicContact CG2-CG 4.36Å; I1081-L1085 WeakPolarHBondContact O-CA 3.24Å; I1081-L1085 WeakPolarHBondContact O-CB 3.23Å; I1081-L1085 WeakPolarHBondContact O-CG 3.28Å; I1081-L1085 PolarHBondContact O-N 2.87Å; F1082-L1085 CarbonylContact O-C 3.52Å; F1082-L1085 PolarHBondContact O-N 3.37Å; L1085-F1088 CarbonylContact O-C 3.58Å; L1085-F1088 PolarHBondContact O-N 3.03Å; L1085-Q1089 WeakPolarHBondContact O-CA 3.31Å; L1085-Q1089 WeakPolarHBondContact O-CB 3.4Å; L1085-Q1089 VanDerWaalsContact O-CG 3.29Å; L1085-Q1089 WeakPolarHBondContact O-CG 3.42Å; L1085-Q1089 PolarHBondContact O-N 3.28Å |
| 1086 | I | 68.7 | Low | 64.3 | Low | 71 Ų | 71 | 114.1 Ų | 114.1 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75 | -34.5 | 171.1 | -75.6 | 167.4 | 0 | 0 | 0 | 110 | F1082 K1090 | F1082-I1086 HydrophobicContact CD1-CD1 3.54Å; F1082-I1086 HydrophobicContact CD1-CG1 4.27Å; F1082-I1086 HydrophobicContact CE1-CD1 3.71Å; F1082-I1086 HydrophobicContact CE1-CG1 4.42Å; F1082-I1086 WeakPolarHBondContact O-CB 3.31Å; F1082-I1086 WeakPolarHBondContact O-CG1 3.5Å; F1082-I1086 PolarHBondContact O-N 3.19Å; I1086-K1090 HydrophobicContact CG2-CD 4.07Å; I1086-K1090 HydrophobicContact CG2-CG 4.4Å; I1086-K1090 WeakPolarHBondContact O-CA 3.39Å; I1086-K1090 WeakPolarHBondContact O-CB 3.33Å; I1086-K1090 VanDerWaalsContact O-CG 3.23Å; I1086-K1090 WeakPolarHBondContact O-CG 3.18Å; I1086-K1090 PolarHBondContact O-N 2.93Å |
| 1087 | K | 67.8 | Low | 62.2 | Low | 145 Ų | 145 | 118.9 Ų | 118.9 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.5 | -34.9 | 170 | -77.8 | 174.2 | 179.2 | 175.1 | 0 | 111.2 | V1083 I1084 K1091 | V1083-K1087 HydrophobicContact CG1-CD 4.23Å; V1083-K1087 VanDerWaalsContact O-CB 3.23Å; V1083-K1087 WeakPolarHBondContact O-CB 3.36Å; V1083-K1087 VanDerWaalsContact O-CG 3.26Å; V1083-K1087 WeakPolarHBondContact O-CG 3.29Å; V1083-K1087 PolarHBondContact O-N 3.16Å; I1084-K1087 CarbonylContact O-C 3.56Å; I1084-K1087 PolarHBondContact O-N 2.95Å; K1087-K1091 WeakPolarHBondContact O-CB 3.39Å; K1087-K1091 PolarHBondContact O-N 3.27Å |
| 1088 | F | 65.7 | Low | 60 | Low | 130 Ų | 130 | 124.3 Ų | 124.3 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -81 | -28.9 | 178.1 | -149 | -86.1 | 0 | 0 | 0 | 111.8 | I1084 L1085 K1092 | I1084-F1088 WeakPolarHBondContact O-CA 3.37Å; I1084-F1088 WeakPolarHBondContact O-CB 3.44Å; I1084-F1088 PolarHBondContact O-N 3Å; L1085-F1088 CarbonylContact O-C 3.58Å; L1085-F1088 PolarHBondContact O-N 3.03Å; F1088-K1092 VanDerWaalsContact O-CB 3.31Å; F1088-K1092 WeakPolarHBondContact O-CB 3.37Å; F1088-K1092 PolarHBondContact O-N 3.25Å |
| 1089 | Q | 56.2 | Low | 58.1 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.5 | -31.9 | 166.2 | -78.5 | -139.9 | 28.3 | 0 | 0 | 111.6 | L1085 K1091 R1093 | L1085-Q1089 WeakPolarHBondContact O-CA 3.31Å; L1085-Q1089 WeakPolarHBondContact O-CB 3.4Å; L1085-Q1089 VanDerWaalsContact O-CG 3.29Å; L1085-Q1089 WeakPolarHBondContact O-CG 3.42Å; L1085-Q1089 PolarHBondContact O-N 3.28Å; Q1089-K1091 VanDerWaalsContact C-N 3.33Å; Q1089-R1093 WeakPolarHBondContact O-CA 3.21Å; Q1089-R1093 WeakPolarHBondContact O-CB 3.32Å; Q1089-R1093 WeakPolarHBondContact O-CG 3.43Å; Q1089-R1093 PolarHBondContact O-N 3.07Å; Q1089-R1093 VanDerWaalsContact OE1-NE 3.11Å |
| 1090 | K | 53.8 | Low | 56 | Low | 141 Ų | 141 | 125.9 Ų | 125.9 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.1 | -28.4 | 167.7 | -76 | 178.8 | 177.5 | 179.8 | 0 | 110.6 | I1086 K1094 | I1086-K1090 HydrophobicContact CG2-CD 4.07Å; I1086-K1090 HydrophobicContact CG2-CG 4.4Å; I1086-K1090 WeakPolarHBondContact O-CA 3.39Å; I1086-K1090 WeakPolarHBondContact O-CB 3.33Å; I1086-K1090 VanDerWaalsContact O-CG 3.23Å; I1086-K1090 WeakPolarHBondContact O-CG 3.18Å; I1086-K1090 PolarHBondContact O-N 2.93Å; K1090-K1094 WeakPolarHBondContact O-CB 3.27Å; K1090-K1094 VanDerWaalsContact O-CG 3.3Å; K1090-K1094 WeakPolarHBondContact O-CG 3.2Å; K1090-K1094 PolarHBondContact O-N 3.46Å |
| 1091 | K | 53.3 | Low | 53.9 | Low | 159 Ų | 159 | 127.3 Ų | 127.3 | 69% | 0.691 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -79.5 | -35.8 | 172.7 | -158.5 | 169.2 | -171.9 | 177.5 | 0 | 112.5 | K1087 Q1089 K1095 | K1087-K1091 WeakPolarHBondContact O-CB 3.39Å; K1087-K1091 PolarHBondContact O-N 3.27Å; Q1089-K1091 VanDerWaalsContact C-N 3.33Å; K1091-K1095 WeakPolarHBondContact O-CB 3.45Å; K1091-K1095 PolarHBondContact O-N 3.13Å; K1091-K1095 VanDerWaalsContact O-N 3.07Å |
| 1092 | K | 46.7 | Very low | 51.8 | Low | 137 Ų | 137 | 128.7 Ų | 128.7 | 60% | 0.596 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.5 | -54.6 | 165.3 | -98.1 | -171.1 | 171.1 | -175.5 | 0 | 110.3 | F1088 K1094 K1095 L1096 | F1088-K1092 VanDerWaalsContact O-CB 3.31Å; F1088-K1092 WeakPolarHBondContact O-CB 3.37Å; F1088-K1092 PolarHBondContact O-N 3.25Å; K1092-K1094 VanDerWaalsContact C-N 3.31Å; K1092-K1094 PolarHBondContact O-N 2.96Å; K1092-K1095 CarbonylContact O-C 3.51Å; K1092-K1095 VanDerWaalsContact O-CA 3.26Å; K1092-K1095 WeakPolarHBondContact O-CA 3.43Å; K1092-K1095 PolarHBondContact O-N 2.97Å; K1092-L1096 WeakPolarHBondContact O-CB 3.35Å; K1092-L1096 PolarHBondContact O-N 3.44Å |
| 1093 | R | 45.7 | Very low | 50 | Low | 155 Ų | 155 | 128.2 Ų | 128.2 | 59% | 0.585 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.2 | -33 | 177.6 | -66.1 | 173.9 | -166.7 | -154.3 | 3.7 | 112.2 | Q1089 K1095 L1096 R1097 | Q1089-R1093 WeakPolarHBondContact O-CA 3.21Å; Q1089-R1093 WeakPolarHBondContact O-CB 3.32Å; Q1089-R1093 WeakPolarHBondContact O-CG 3.43Å; Q1089-R1093 PolarHBondContact O-N 3.07Å; Q1089-R1093 VanDerWaalsContact OE1-NE 3.11Å; R1093-K1095 VanDerWaalsContact C-N 3.35Å; R1093-L1096 PolarHBondContact O-N 2.9Å; R1093-R1097 WeakPolarHBondContact O-CA 3.19Å; R1093-R1097 WeakPolarHBondContact O-CB 3.45Å; R1093-R1097 PolarHBondContact O-N 3.09Å |
| 1094 | K | 43.6 | Very low | 48.2 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.6 | -14.1 | 167.6 | -77.2 | -169.4 | 173.1 | -169.5 | 0 | 114.7 | K1090 K1092 K1098 | K1090-K1094 WeakPolarHBondContact O-CB 3.27Å; K1090-K1094 VanDerWaalsContact O-CG 3.3Å; K1090-K1094 WeakPolarHBondContact O-CG 3.2Å; K1090-K1094 PolarHBondContact O-N 3.46Å; K1092-K1094 VanDerWaalsContact C-N 3.31Å; K1092-K1094 PolarHBondContact O-N 2.96Å; K1094-K1098 WeakPolarHBondContact O-CG 3.36Å |
| 1095 | K | 39.2 | Very low | 46.5 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 73% | 0.73 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 14.8 | 172.4 | -155.7 | -178.3 | -179.3 | -174.6 | 0 | 112.6 | K1091 K1092 R1093 T1099 | K1091-K1095 WeakPolarHBondContact O-CB 3.45Å; K1091-K1095 PolarHBondContact O-N 3.13Å; K1091-K1095 VanDerWaalsContact O-N 3.07Å; K1092-K1095 CarbonylContact O-C 3.51Å; K1092-K1095 VanDerWaalsContact O-CA 3.26Å; K1092-K1095 WeakPolarHBondContact O-CA 3.43Å; K1092-K1095 PolarHBondContact O-N 2.97Å; R1093-K1095 VanDerWaalsContact C-N 3.35Å; K1095-T1099 PolarHBondContact O-OG1 2.72Å |
| 1096 | L | 36.4 | Very low | 44.8 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.2 | -35 | 179.7 | -149.1 | 77.7 | 0 | 0 | 0 | 111.4 | K1092 R1093 K1098 T1099 Y1100 | K1092-L1096 WeakPolarHBondContact O-CB 3.35Å; K1092-L1096 PolarHBondContact O-N 3.44Å; R1093-L1096 PolarHBondContact O-N 2.9Å; L1096-K1098 PolarHBondContact O-N 3.38Å; L1096-T1099 CarbonylContact O-C 3.5Å; L1096-T1099 WeakPolarHBondContact O-CA 3.22Å; L1096-T1099 PolarHBondContact O-N 3.2Å; L1096-Y1100 PolarHBondContact O-N 3.17Å |
| 1097 | R | 34.2 | Very low | 43.4 | Very low | 200 Ų | 200 | 137.2 Ų | 137.2 | 76% | 0.755 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -6.8 | 154.6 | -72.2 | -171.8 | 166.1 | -178.4 | -5.3 | 112.5 | R1093 T1099 F1101 | R1093-R1097 WeakPolarHBondContact O-CA 3.19Å; R1093-R1097 WeakPolarHBondContact O-CB 3.45Å; R1093-R1097 PolarHBondContact O-N 3.09Å; R1097-T1099 VanDerWaalsContact C-N 3.31Å; R1097-F1101 WeakPolarHBondContact O-CB 3.33Å |
| 1098 | K | 34.1 | Very low | 42 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 14.2 | 162.4 | -87.4 | -156.9 | 168.7 | -154.4 | 0 | 113.1 | K1094 L1096 | K1094-K1098 WeakPolarHBondContact O-CG 3.36Å; L1096-K1098 PolarHBondContact O-N 3.38Å |
| 1099 | T | 39.7 | Very low | 40.4 | Very low | 64 Ų | 64 | 138.2 Ų | 138.2 | 39% | 0.393 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136.8 | -49 | -177 | -36.7 | 0 | 0 | 0 | 0 | 110.9 | K1095 L1096 R1097 H1102 Q1103 | K1095-T1099 PolarHBondContact O-OG1 2.72Å; L1096-T1099 CarbonylContact O-C 3.5Å; L1096-T1099 WeakPolarHBondContact O-CA 3.22Å; L1096-T1099 PolarHBondContact O-N 3.2Å; R1097-T1099 VanDerWaalsContact C-N 3.31Å; T1099-H1102 CarbonylContact O-C 3.51Å; T1099-H1102 WeakPolarHBondContact O-CA 3.29Å; T1099-H1102 WeakPolarHBondContact O-CB 3.33Å; T1099-H1102 PolarHBondContact O-N 3.07Å; T1099-H1102 VanDerWaalsContact O-N 3.11Å; T1099-Q1103 WeakPolarHBondContact O-CG 3.38Å; T1099-Q1103 PolarHBondContact O-N 2.76Å |
| 1100 | Y | 32.8 | Very low | 39.2 | Very low | 154 Ų | 154 | 137 Ų | 137 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -71.5 | -32.2 | 173 | -95.6 | -104.4 | 0 | 0 | 0 | 113.4 | L1096 H1102 Q1103 | L1096-Y1100 PolarHBondContact O-N 3.17Å; Y1100-H1102 PolarHBondContact O-N 3.14Å; Y1100-Q1103 PolarHBondContact O-N 3.21Å; Y1100-Q1103 VanDerWaalsContact O-N 3.12Å |
| 1101 | F | 36 | Very low | 38.3 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 64% | 0.64 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -75.2 | -1 | 171 | -132.9 | -93.6 | 0 | 0 | 0 | 112.6 | R1097 I1105 | R1097-F1101 WeakPolarHBondContact O-CB 3.33Å; F1101-I1105 HydrophobicContact CD1-CD1 3.78Å; F1101-I1105 HydrophobicContact CE1-CD1 3.72Å |
| 1102 | H | 34.5 | Very low | 37.2 | Very low | 122 Ų | 122 | 141 Ų | 141 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -113.2 | 23.2 | 168.9 | -93.1 | -58.2 | 0 | 0 | 0 | 111.5 | T1099 Y1100 D1106 | T1099-H1102 CarbonylContact O-C 3.51Å; T1099-H1102 WeakPolarHBondContact O-CA 3.29Å; T1099-H1102 WeakPolarHBondContact O-CB 3.33Å; T1099-H1102 PolarHBondContact O-N 3.07Å; T1099-H1102 VanDerWaalsContact O-N 3.11Å; Y1100-H1102 PolarHBondContact O-N 3.14Å; H1102-D1106 IonicContact ND1-OD1 3.86Å |
| 1103 | Q | 37.4 | Very low | 36.4 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 57% | 0.57 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | -7 | 174.4 | -73.8 | -174.6 | -59.1 | 0 | 0 | 113.9 | T1099 Y1100 | T1099-Q1103 WeakPolarHBondContact O-CG 3.38Å; T1099-Q1103 PolarHBondContact O-N 2.76Å; Y1100-Q1103 PolarHBondContact O-N 3.21Å; Y1100-Q1103 VanDerWaalsContact O-N 3.12Å |
| 1104 | I | 39 | Very low | 35.8 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 68% | 0.677 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -109.8 | -28 | 174.4 | -62.7 | 176.4 | 0 | 0 | 0 | 111.4 | ||
| 1105 | I | 39.3 | Very low | 35.1 | Very low | 97 Ų | 97 | 138 Ų | 138 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -79.3 | -31.7 | 173.9 | -68.7 | 178.3 | 0 | 0 | 0 | 111.3 | F1101 H1107 | F1101-I1105 HydrophobicContact CD1-CD1 3.78Å; F1101-I1105 HydrophobicContact CE1-CD1 3.72Å; I1105-H1107 PolarHBondContact O-N 3.18Å |
| 1106 | D | 36 | Very low | 34.7 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 56% | 0.561 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -70.9 | 5.6 | -179 | -67.7 | 41.2 | 0 | 0 | 0 | 114.5 | H1102 | H1102-D1106 IonicContact ND1-OD1 3.86Š|
| 1107 | H | 39.3 | Very low | 34.3 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 79% | 0.792 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -114.9 | -4.9 | -179.7 | -154.4 | 59.5 | 0 | 0 | 0 | 115.6 | I1105 | I1105-H1107 PolarHBondContact O-N 3.18Š|
| 1108 | I | 38.9 | Very low | 34.2 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | -36.9 | -177.9 | -59.5 | -175.1 | 0 | 0 | 0 | 113.6 | ||
| 1109 | I | 33 | Very low | 34 | Very low | 146 Ų | 146 | 135 Ų | 135 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -136.5 | 89.2 | 176.3 | -48.4 | -177.1 | 0 | 0 | 0 | 111.7 | ||
| 1110 | G | 30.8 | Very low | 33.6 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | -141.7 | 106.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1111 | K | 33.7 | Very low | 33.8 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 71% | 0.708 | S | S | * | * | trans | -79 | 152.5 | 177.7 | -75.7 | -179.7 | 178.9 | 172.6 | 0 | 111.7 | ||||
| 1112 | K | 30.6 | Very low | 33.7 | Very low | 185 Ų | 185 | 141 Ų | 141 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -45.6 | 135.9 | 165.8 | -57.1 | 171.4 | 177.9 | 178.9 | 0 | 111.6 | ||||
| 1113 | H | 30.7 | Very low | 33.7 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | -174.7 | 163.1 | 98.2 | -113.9 | -89.3 | 0 | 0 | 0 | 114.9 | |||||
| 1114 | D | 32.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | trans | 77 | 88.7 | 153.9 | -58.7 | -16.1 | 0 | 0 | 0 | 123.2 | ||||
| 1115 | T | 29.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | 60.9 | 116.6 | 125.8 | 59.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 1116 | F | 29.9 | Very low | 33.4 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | -158.1 | 145.3 | 116.3 | -113.3 | -76.4 | 0 | 0 | 0 | 110.9 | |||||
| 1117 | N | 28.6 | Very low | 33.4 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -14.7 | 137.1 | 177.9 | -49.8 | -12.1 | 0 | 0 | 0 | 117.8 | ||||
| 1118 | S | 30.4 | Very low | 33.3 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | cis | -161.1 | 147.8 | 48.3 | 44 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1119 | D | 30.5 | Very low | 33.1 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | 44 | 103.3 | 146.8 | -44.9 | -23.9 | 0 | 0 | 0 | 120.4 | ||||
| 1120 | Y | 32.5 | Very low | 33.3 | Very low | 187 Ų | 187 | 138 Ų | 138 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | 178.4 | 138.6 | 88.7 | -98.1 | -70.7 | 0 | 0 | 0 | 113.4 | |||||
| 1121 | Y | 36.1 | Very low | 33.6 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | 55.2 | 99.3 | 165.9 | -58.1 | -61.1 | 0 | 0 | 0 | 118.8 | ||||
| 1122 | T | 32.9 | Very low | 33.6 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | 61.9 | 132.9 | 83.8 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1123 | T | 35.5 | Very low | 33.9 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | cis | -173.5 | 163.5 | 7.7 | 21.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1124 | N | 35.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | cis | -179.2 | 177.7 | -17.9 | -173.7 | 15.6 | 0 | 0 | 0 | 107.9 | ||||
| 1125 | I | 37 | Very low | 34.3 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | 74.9 | 133.9 | 155.8 | -82 | 157.2 | 0 | 0 | 0 | 117.7 | ||||
| 1126 | S | 37.8 | Very low | 34.2 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | cis | -137.1 | -138.2 | -3 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1127 | N | 35.6 | Very low | 34.2 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | -169.6 | 178.6 | -156.3 | -159.6 | 0.9 | 0 | 0 | 0 | 112.8 | ||||
| 1128 | N | 36 | Very low | 34.2 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | 88.8 | 144.3 | 157.3 | -59.4 | -16.1 | 0 | 0 | 0 | 119.3 | ||||
| 1129 | S | 35.5 | Very low | 34.1 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | cis | -168.9 | -165.4 | -16.4 | 59 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1130 | S | 36.9 | Very low | 34.1 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | cis | -169.3 | 155.5 | 4.6 | 16.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1131 | S | 37 | Very low | 34 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 61.8 | 148.3 | 150.4 | 57 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1132 | S | 34.8 | Very low | 33.7 | Very low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | cis | -178.1 | 149.7 | -22.7 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1133 | N | 37.2 | Very low | 33.7 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | 70.2 | 146.7 | 151.5 | -59 | -8.4 | 0 | 0 | 0 | 119 | ||||
| 1134 | H | 36.3 | Very low | 33.7 | Very low | 145 Ų | 145 | 134 Ų | 134 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | cis | -162.9 | 151.4 | -17.7 | -127.9 | -69.8 | 0 | 0 | 0 | 110.5 | ||||
| 1135 | N | 33.8 | Very low | 33.4 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | 67.6 | 140.2 | 159.5 | -60.1 | -15.8 | 0 | 0 | 0 | 118.3 | ||||
| 1136 | T | 29.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | cis | -159.5 | 163.2 | -6.4 | 8.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1137 | I | 28.3 | Very low | 32.6 | Very low | 151 Ų | 151 | 140 Ų | 140 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 86 | 128.8 | 172.2 | -58.4 | 169.4 | 0 | 0 | 0 | 116.6 | ||
| 1138 | S | 29.8 | Very low | 32.5 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 33 | 85.9 | 169 | 61.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1139 | N | 28 | Very low | 32.1 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -82.1 | 168.5 | 139.7 | -84.9 | -100.1 | 0 | 0 | 0 | 108.9 | ||||
| 1140 | K | 29.7 | Very low | 31.9 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | cis | -159.9 | 168.9 | 5 | -132.7 | 158.9 | -171.4 | 170 | 0 | 113.5 | ||||
| 1141 | N | 30.4 | Very low | 31.4 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | trans | -84.3 | 145 | -174.4 | -68.5 | 59.2 | 0 | 0 | 0 | 117.8 | ||||
| 1142 | D | 31 | Very low | 31 | Very low | 124 Ų | 124 | 143 Ų | 143 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | 58.6 | 168.9 | 122.2 | -47.4 | -30.2 | 0 | 0 | 0 | 125.2 | |||||
| 1143 | Y | 31.9 | Very low | 30.9 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | trans | 79.7 | 119.7 | 174.3 | -66 | -88.7 | 0 | 0 | 0 | 116.3 | ||||
| 1144 | Y | 35.4 | Very low | 30.5 | Very low | 202 Ų | 202 | 150.3 Ų | 150.3 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | cis | -144.8 | 178 | 11.8 | -73.1 | -98.1 | 0 | 0 | 0 | 110.8 | ||||
| 1145 | K | 29.2 | Very low | 30.1 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 68% | 0.683 | 75% | 0.747 | S | S | * | * | cis | 176.6 | 103 | -44.2 | -176 | 178.2 | -175.6 | -179.6 | 0 | 108.1 | ||||
| 1146 | Y | 30.8 | Very low | 29.8 | Very low | 239 Ų | 239 | 149.5 Ų | 149.5 | 94% | 0.937 | 75% | 0.749 | S | S | * | * | trans | -144.2 | 131.9 | 159.7 | -109.1 | -82.6 | 0 | 0 | 0 | 106.5 | ||||
| 1147 | N | 28.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | trans | -145.8 | 105.3 | -150.4 | -164.5 | 89.9 | 0 | 0 | 0 | 112 | ||||
| 1148 | P | 31.7 | Very low | 29.8 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -61.8 | 142.7 | 159.5 | -10.5 | 26.1 | 0 | 0 | 0 | 108.7 | N1150 | P1148-N1150 PolarHBondContact O-N 3.14Š| ||
| 1149 | M | 29.2 | Very low | 29.7 | Very low | 139 Ų | 139 | 155.9 Ų | 155.9 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | -67.3 | 133.1 | 172.9 | -67.8 | -159.3 | -163.5 | 0 | 0 | 109.9 | Y337 | Y337-M1149 HydrophobicContact CE1-CE 3.97Å; Y337-M1149 WeakPolarHBondContact OH-CE 3.39Å | ||
| 1150 | N | 29.9 | Very low | 29.7 | Very low | 137 Ų | 137 | 158.5 Ų | 158.5 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -114.1 | 114.3 | 170.6 | -158 | 18.1 | 0 | 0 | 0 | 107.8 | P1148 T1152 | P1148-N1150 PolarHBondContact O-N 3.14Å; N1150-T1152 PolarHBondContact O-N 3.43Å | ||
| 1151 | L | 27.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 159 Ų | 159 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -82.2 | 61.1 | -176.2 | -97.3 | 167.3 | 0 | 0 | 0 | 111.5 | Y1153 | L1151-Y1153 PolarHBondContact O-N 3.39Š| ||
| 1152 | T | 27.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 162.3 Ų | 162.3 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | trans | -83.5 | 85.5 | 171.7 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | N1150 Q1154 | N1150-T1152 PolarHBondContact O-N 3.43Å; T1152-Q1154 PolarHBondContact O-N 3.26Å | ||
| 1153 | Y | 32.3 | Very low | 29.4 | Very low | 221 Ų | 221 | 164.5 Ų | 164.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -75.1 | 118.5 | 163.8 | -124.1 | -83.8 | 0 | 0 | 0 | 108.8 | L1151 S1155 | L1151-Y1153 PolarHBondContact O-N 3.39Å; Y1153-S1155 PolarHBondContact O-N 3.24Å | ||
| 1154 | Q | 28.2 | Very low | 29.2 | Very low | 164 Ų | 164 | 164 Ų | 164 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -73.4 | 113.9 | -170.4 | -67.9 | 178.1 | -99.2 | 0 | 0 | 112.5 | T1152 D1156 | T1152-Q1154 PolarHBondContact O-N 3.26Å; Q1154-D1156 HydrophobicContact CB-CB 4.34Å; Q1154-D1156 PolarHBondContact O-N 3.23Å | ||
| 1155 | S | 29.6 | Very low | 28.8 | Very low | 123 Ų | 123 | 162.6 Ų | 162.6 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -84.5 | 43.8 | 164.3 | 59 | 0 | 0 | 0 | 0 | 112 | Y1153 | Y1153-S1155 PolarHBondContact O-N 3.24Š| ||
| 1156 | D | 27.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 160.9 Ų | 160.9 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | trans | -117.4 | 49.2 | -169.7 | -111.9 | -28.6 | 0 | 0 | 0 | 112.1 | Q1154 | Q1154-D1156 HydrophobicContact CB-CB 4.34Å; Q1154-D1156 PolarHBondContact O-N 3.23Å | ||
| 1157 | L | 28.3 | Very low | 28.5 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -149.3 | 32.4 | 174.9 | -133.1 | 150.1 | 0 | 0 | 0 | 114.9 | ||
| 1158 | M | 29 | Very low | 28.6 | Very low | 188 Ų | 188 | 156.9 Ų | 156.9 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -148 | 46.7 | 164.5 | -145.8 | 171.8 | -170.7 | 0 | 0 | 115.1 | ||
| 1159 | N | 28.1 | Very low | 28.6 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -132.2 | 37 | 174.6 | -133.6 | -18.9 | 0 | 0 | 0 | 114.5 | ||
| 1160 | Q | 26.7 | Very low | 28.8 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -142 | 44.3 | 168.6 | -75.7 | -157.4 | -12.8 | 0 | 0 | 113.6 | ||
| 1161 | Q | 28.9 | Very low | 29 | Very low | 194 Ų | 194 | 156.1 Ų | 156.1 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -154.3 | 41.6 | 165.3 | -125.7 | 165.5 | 47 | 0 | 0 | 116.2 | ||||
| 1162 | Q | 28.3 | Very low | 29.3 | Very low | 199 Ų | 199 | 158.7 Ų | 158.7 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -122.4 | 71.2 | 163 | -73.2 | -165.8 | -4.8 | 0 | 0 | 111.6 | ||||
| 1163 | Q | 27.4 | Very low | 29.3 | Very low | 170 Ų | 170 | 160.5 Ų | 160.5 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -131.5 | 135.7 | 156.6 | -76.7 | -168.6 | -14 | 0 | 0 | 109 | ||||
| 1164 | H | 28.5 | Very low | 29.2 | Very low | 171 Ų | 171 | 156.7 Ų | 156.7 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | 60.9 | 105.4 | -177 | -54.4 | -77.3 | 0 | 0 | 0 | 116.3 | ||||
| 1165 | L | 27.7 | Very low | 29.2 | Very low | 174 Ų | 174 | 155 Ų | 155 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | -166.3 | 70.4 | 109.6 | -102.2 | 163 | 0 | 0 | 0 | 112.2 | |||||
| 1166 | T | 27.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -85.4 | 132.6 | 160.5 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1167 | L | 26.8 | Very low | 29.2 | Very low | 149 Ų | 149 | 154.9 Ų | 154.9 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | 76.3 | 142.8 | 158.5 | -65.7 | 159.4 | 0 | 0 | 0 | 120.3 | ||||
| 1168 | N | 30.1 | Very low | 29.1 | Very low | 130 Ų | 130 | 152 Ų | 152 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | 80.8 | 81.1 | 151.7 | -66 | -6 | 0 | 0 | 0 | 121.6 | ||||
| 1169 | T | 31.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | 57.6 | 123.1 | 114.1 | 58.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 1170 | N | 32.4 | Very low | 29.3 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 83.5 | 151.4 | 141.4 | -78.3 | -3.2 | 0 | 0 | 0 | 120.4 | ||||
| 1171 | P | 35.8 | Very low | 29.5 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | trans | -108.6 | 173.7 | -153.9 | 41.8 | -35.3 | 0 | 0 | 0 | 113.7 | ||||
| 1172 | F | 32.1 | Very low | 29.4 | Very low | 196 Ų | 196 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | -167 | 159 | 123.7 | -113.8 | -75.2 | 0 | 0 | 0 | 112.3 | |||||
| 1173 | N | 28.2 | Very low | 29.8 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -63.8 | 155.7 | 174.3 | -62.2 | -37.5 | 0 | 0 | 0 | 113.1 | ||||
| 1174 | V | 31.3 | Very low | 29.9 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | -163.5 | 145.3 | 121.2 | 138.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1175 | T | 27.8 | Very low | 30.2 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -106.1 | 130.8 | -176.8 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1176 | S | 29.7 | Very low | 30.4 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -166.4 | 113.3 | 154.1 | 41 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1177 | I | 28 | Very low | 30.7 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | 78.8 | 104 | 80.3 | -68 | 161 | 0 | 0 | 0 | 113.9 | |||||
| 1178 | S | 25.8 | Very low | 31 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 60.2 | 145 | 155.2 | 75.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1179 | S | 31.6 | Very low | 31.1 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | cis | -167.6 | 162.5 | 49.3 | 42.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1180 | N | 29.1 | Very low | 31 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -64.5 | 154.2 | 170.7 | -53.9 | -40.6 | 0 | 0 | 0 | 111.5 | ||||
| 1181 | L | 31.1 | Very low | 30.9 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -169.6 | 111.5 | 132.4 | -104.9 | 157 | 0 | 0 | 0 | 112.5 | ||||
| 1182 | Y | 27.9 | Very low | 30.5 | Very low | 211 Ų | 211 | 145.9 Ų | 145.9 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -74 | 153.5 | 158.2 | -96.2 | -90.8 | 0 | 0 | 0 | 110.2 | ||||
| 1183 | P | 35.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -111.3 | 121.3 | 147.3 | 28.7 | -16 | 0 | 0 | 0 | 111.2 | ||||
| 1184 | Q | 30.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -86.3 | 149.2 | 162.4 | -76.9 | -174.7 | -29.3 | 0 | 0 | 110.7 | ||||
| 1185 | N | 34.2 | Very low | 30.3 | Very low | 148 Ų | 148 | 146 Ų | 146 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -161 | 116.7 | 137.4 | -94 | -38.6 | 0 | 0 | 0 | 107.3 | ||||
| 1186 | N | 30.9 | Very low | 30.5 | Very low | 110 Ų | 110 | 148 Ų | 148 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | 79.6 | 102 | 66.9 | -74.6 | -36.7 | 0 | 0 | 0 | 113.5 | |||||
| 1187 | N | 35 | Very low | 30.4 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -177.8 | 106.8 | 130.6 | -84.3 | -26.2 | 0 | 0 | 0 | 106.3 | ||||
| 1188 | H | 31.8 | Very low | 30.6 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | 43.1 | 113.3 | 86.7 | -84.1 | -62.4 | 0 | 0 | 0 | 112.3 | |||||
| 1189 | I | 33.4 | Very low | 30.7 | Very low | 158 Ų | 158 | 153.4 Ų | 153.4 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | -161.3 | 147.6 | 84.2 | -91.7 | 157.6 | 0 | 0 | 0 | 110.7 | |||||
| 1190 | D | 28.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 154.1 Ų | 154.1 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -70.4 | 147.2 | 173.2 | -54.5 | -95.2 | 0 | 0 | 0 | 113.4 | ||||
| 1191 | S | 31.5 | Very low | 30.9 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -158.7 | 115.7 | 138.3 | -8.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1192 | Q | 26.4 | Very low | 30.8 | Very low | 186 Ų | 186 | 153 Ų | 153 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -69.5 | 133.6 | 151.3 | -54.9 | 162.8 | -70.2 | 0 | 0 | 107.2 | ||||
| 1193 | Y | 31.6 | Very low | 31 | Very low | 225 Ų | 225 | 152.4 Ų | 152.4 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | -153.6 | 116.4 | 142.6 | -101.6 | -67.9 | 0 | 0 | 0 | 110.5 | ||||
| 1194 | S | 25.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 153.2 Ų | 153.2 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -72.5 | 142.5 | 158.2 | 53.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1195 | H | 30.1 | Very low | 30.8 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 169.9 | 154.5 | 151.1 | -90.2 | 29.9 | 0 | 0 | 0 | 104.9 | ||||
| 1196 | E | 31.2 | Very low | 30.5 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -144.5 | 154.6 | 18.8 | -150.3 | 152.4 | -127.2 | 0 | 0 | 111.5 | ||||
| 1197 | H | 28.7 | Very low | 30.5 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -83.2 | 136.8 | 174.2 | -74.2 | -96.6 | 0 | 0 | 0 | 111.2 | ||||
| 1198 | V | 31.9 | Very low | 30.3 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | trans | -132.7 | 95.7 | 151.2 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1199 | H | 29.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -68.6 | 172.9 | 152.1 | -91.8 | -103.4 | 0 | 0 | 0 | 109.5 | ||||
| 1200 | V | 32 | Very low | 29.8 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 107.8 | 114.9 | -180 | 170.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1201 | N | 31.9 | Very low | 29.9 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | cis | -139.1 | 147.2 | -9.9 | -79.3 | -24.8 | 0 | 0 | 0 | 106.6 | ||||
| 1202 | E | 29.1 | Very low | 29.9 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | 47.9 | 88.9 | 69.7 | -83.6 | -173.2 | -173.8 | 0 | 0 | 114.9 | |||||
| 1203 | F | 31.4 | Very low | 30 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -144.2 | 101.5 | 137.3 | -112.5 | -71.5 | 0 | 0 | 0 | 109.9 | ||||
| 1204 | D | 29.6 | Very low | 29.8 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -58 | 143.8 | 158.9 | -87.8 | -56.6 | 0 | 0 | 0 | 110.1 | ||||
| 1205 | N | 31.9 | Very low | 29.9 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -161.7 | 81.4 | 138.6 | -101.4 | -53.4 | 0 | 0 | 0 | 109.8 | C1207 | N1205-C1207 PolarHBondContact O-N 2.65Š| ||
| 1206 | S | 29 | Very low | 29.9 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -70.3 | 115.1 | 153.6 | 46.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 1207 | C | 29.9 | Very low | 29.8 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | trans | -154.2 | 124.1 | -179.5 | -145.2 | 0 | 0 | 0 | 0 | 110.8 | N1205 | N1205-C1207 PolarHBondContact O-N 2.65Š| ||
| 1208 | V | 31.2 | Very low | 30.1 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 32.1 | 111.4 | 163.7 | -93.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1209 | D | 27.8 | Very low | 30 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | cis | 52.2 | 134.5 | 49 | -156.1 | 3.2 | 0 | 0 | 0 | 114.1 | ||||
| 1210 | S | 27.9 | Very low | 30 | Very low | 85 Ų | 85 | 142 Ų | 142 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | trans | 58.6 | 84.7 | 177.1 | 69.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1211 | M | 30.9 | Very low | 29.8 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | -137.5 | 97.7 | 130.8 | -122.3 | -175.9 | -177.4 | 0 | 0 | 112.9 | ||||
| 1212 | F | 31.2 | Very low | 29.7 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 64% | 0.64 | 76% | 0.762 | S | S | * | * | trans | 19.9 | 118.2 | 136.1 | -68.1 | -88.1 | 0 | 0 | 0 | 117.7 | ||||
| 1213 | Q | 27.4 | Very low | 29.6 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | 58.8 | 138.6 | 74.2 | -75.7 | -164.1 | -15.5 | 0 | 0 | 115.6 | |||||
| 1214 | R | 27.3 | Very low | 29.6 | Very low | 211 Ų | 211 | 144 Ų | 144 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 73.4 | 137.6 | -165 | -44.5 | 165.9 | -141.9 | -144.6 | 2.7 | 109.3 | ||||
| 1215 | I | 29.6 | Very low | 29.5 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | cis | -136.2 | 135.3 | 15.1 | -65.6 | 172.7 | 0 | 0 | 0 | 105.8 | ||||
| 1216 | S | 29.4 | Very low | 29.5 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | 78 | 92.9 | 17.1 | -41.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1217 | A | 29.3 | Very low | 29.5 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | 90 | 158.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1218 | P | 34.7 | Very low | 29.6 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | -110 | 176.6 | -154.8 | 42.4 | -36.4 | 0 | 0 | 0 | 115.8 | ||||
| 1219 | Y | 30.5 | Very low | 29.6 | Very low | 225 Ų | 225 | 149 Ų | 149 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | trans | -129.7 | 125.2 | 153.8 | -67.2 | -92.8 | 0 | 0 | 0 | 105.3 | ||||
| 1220 | D | 27.6 | Very low | 29.7 | Very low | 131 Ų | 131 | 148.5 Ų | 148.5 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | cis | 48 | 125 | 17.3 | -80.6 | -16.3 | 0 | 0 | 0 | 117.4 | ||||
| 1221 | L | 28.7 | Very low | 29.8 | Very low | 143 Ų | 143 | 151.7 Ų | 151.7 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 65.4 | 134.3 | -175.6 | -52.8 | 115.6 | 0 | 0 | 0 | 113.7 | ||||
| 1222 | F | 29.7 | Very low | 29.9 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | cis | -126.1 | 125 | 27.7 | -81 | -103.9 | 0 | 0 | 0 | 115 | ||||
| 1223 | Y | 27.8 | Very low | 29.9 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | -78 | 134.7 | 142.3 | -100.8 | -93.3 | 0 | 0 | 0 | 109 | T1225 | Y1223-T1225 VanDerWaalsContact C-N 3.33Å; Y1223-T1225 PolarHBondContact O-N 3.1Å; Y1223-T1225 VanDerWaalsContact O-N 3.16Å | ||
| 1224 | P | 29.9 | Very low | 30.2 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | -78 | 86.5 | 155.4 | 32 | -30.2 | 0 | 0 | 0 | 108.8 | ||||
| 1225 | T | 28.9 | Very low | 30.5 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -65.5 | 164.5 | 165.5 | 44.6 | 0 | 0 | 0 | 0 | 111.2 | Y1223 | Y1223-T1225 VanDerWaalsContact C-N 3.33Å; Y1223-T1225 PolarHBondContact O-N 3.1Å; Y1223-T1225 VanDerWaalsContact O-N 3.16Å | ||
| 1226 | I | 30.5 | Very low | 30.7 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | trans | 80.5 | 80.4 | 176.2 | -43.2 | 166.1 | 0 | 0 | 0 | 113.9 | T1228 | I1226-T1228 HydrophobicContact CG2-CG2 4.38Š| ||
| 1227 | Y | 29.9 | Very low | 30.7 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | -127.2 | 141.7 | 111.7 | -115.6 | -88 | 0 | 0 | 0 | 109.5 | |||||
| 1228 | T | 31.7 | Very low | 31 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 57% | 0.571 | 75% | 0.752 | S | S | * | * | trans | -113.3 | 157.3 | -163.4 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | I1226 | I1226-T1228 HydrophobicContact CG2-CG2 4.38Š| ||
| 1229 | N | 31.3 | Very low | 31.1 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | 93.9 | 117.9 | 148.7 | -65.5 | -23.6 | 0 | 0 | 0 | 121 | ||||
| 1230 | L | 30.4 | Very low | 31.1 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 67.5 | 139.7 | 152.4 | -76.3 | 75.5 | 0 | 0 | 0 | 116.8 | ||||
| 1231 | M | 30.1 | Very low | 31.4 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | cis | -133.3 | 125.2 | 20 | -89 | -63.4 | -161.5 | 0 | 0 | 115.5 | ||||
| 1232 | T | 32.7 | Very low | 31.4 | Very low | 105 Ų | 105 | 148 Ų | 148 | 64% | 0.644 | 77% | 0.765 | S | S | * | * | trans | 28 | 130 | 135.7 | 59.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1233 | S | 31.7 | Very low | 31.6 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 68.8 | 146.1 | 138.1 | 69.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1234 | Y | 33.2 | Very low | 31.7 | Very low | 218 Ų | 218 | 142.1 Ų | 142.1 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | cis | -130.3 | 162.8 | 26.8 | -108.6 | -97 | 0 | 0 | 0 | 115.2 | ||||
| 1235 | E | 33.1 | Very low | 31.9 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -98.4 | 156.5 | -178.7 | -55 | 164.5 | 118.8 | 0 | 0 | 112.4 | ||||
| 1236 | N | 34.5 | Very low | 32 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | -176.8 | 148 | 104.7 | -98.5 | -70.3 | 0 | 0 | 0 | 113.7 | |||||
| 1237 | T | 29.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 143 Ų | 143 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -127.2 | 155.2 | 173.1 | 50.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1238 | I | 34.8 | Very low | 32.3 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -171.1 | 102.5 | 161 | -98.8 | 144.5 | 0 | 0 | 0 | 105.4 | ||||
| 1239 | I | 36.1 | Very low | 32.5 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | 86.7 | 129 | 82 | -73.3 | 165.5 | 0 | 0 | 0 | 113.1 | |||||
| 1240 | N | 29.9 | Very low | 32.5 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -68.2 | 157.4 | -174.3 | -48.8 | -31 | 0 | 0 | 0 | 114 | ||||
| 1241 | T | 33.8 | Very low | 32.7 | Very low | 149 Ų | 149 | 143 Ų | 143 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | -165.1 | 158.7 | 121 | 9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1242 | T | 29.7 | Very low | 32.7 | Very low | 131 Ų | 131 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -97.5 | 148.3 | -175.2 | 46.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1243 | T | 33.4 | Very low | 32.8 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -162.4 | 148.3 | 145.1 | -0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1244 | T | 29.9 | Very low | 32.9 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -107.5 | 141.6 | -178.6 | 44.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1245 | T | 34.3 | Very low | 32.8 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | trans | -162.3 | 152.3 | 149.1 | 13.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1246 | T | 31.4 | Very low | 32.8 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | -108.9 | 149.3 | -176.7 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1247 | S | 33.9 | Very low | 32.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | 170 | 113 | 130.3 | 59.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1248 | T | 32.8 | Very low | 32.6 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | trans | 19.2 | 133.1 | 134.8 | 57.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 1249 | T | 35.3 | Very low | 32.3 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | 178.2 | 160.3 | 106.5 | 28.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1250 | N | 32.1 | Very low | 31.9 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -100.3 | 159.1 | -165.2 | -55.1 | -8.4 | 0 | 0 | 0 | 114.4 | ||||
| 1251 | M | 33.7 | Very low | 31.8 | Very low | 196 Ų | 196 | 145.1 Ų | 145.1 | 97% | 0.966 | 82% | 0.815 | S | S | * | * | trans | -149.9 | 137.9 | 137.7 | -82.5 | -149.8 | 172.3 | 0 | 0 | 111.6 | ||||
| 1252 | N | 31.4 | Very low | 31.6 | Very low | 132 Ų | 132 | 147 Ų | 147 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -105.7 | 143 | -178.5 | -71.5 | -17.8 | 0 | 0 | 0 | 111.8 | ||||
| 1253 | S | 34.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -172.9 | 105.8 | 139.9 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1254 | S | 32.5 | Very low | 31.4 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 7.2 | 131.7 | 146.6 | 59.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 1255 | S | 32.3 | Very low | 31.5 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | 162.3 | 158.5 | 90.9 | 57.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1256 | T | 32.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 148 Ų | 148 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 76.4 | 137.6 | 165.9 | 69.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1257 | N | 29.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -82.6 | 136.6 | -179.9 | -67.3 | -27.1 | 0 | 0 | 0 | 112.4 | ||||
| 1258 | R | 30.3 | Very low | 30.7 | Very low | 227 Ų | 227 | 152.8 Ų | 152.8 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -176.7 | 143.4 | 133.7 | -102.3 | 164.6 | -164.8 | -158.2 | 3.6 | 111.9 | ||||
| 1259 | N | 28.9 | Very low | 30.5 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 35.2 | 105.9 | 152.8 | -54.8 | 11.3 | 0 | 0 | 0 | 118.7 | ||||
| 1260 | Y | 28.4 | Very low | 30.3 | Very low | 217 Ų | 217 | 159.4 Ų | 159.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -96.4 | 107.4 | 153.6 | -94.9 | -89.3 | 0 | 0 | 0 | 110.4 | Y1262 | Y1260-Y1262 AromaticContact CD1-CD2 3.92Å; Y1260-Y1262 HydrophobicContact CD1-CD2 3.92Å; Y1260-Y1262 AromaticContact CD1-CE2 3.81Å; Y1260-Y1262 HydrophobicContact CD1-CE2 3.81Å; Y1260-Y1262 AromaticContact CE1-CE2 3.99Å; Y1260-Y1262 HydrophobicContact CE1-CE2 3.99Å | ||
| 1261 | Q | 26.9 | Very low | 30.2 | Very low | 164 Ų | 164 | 160.3 Ų | 160.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -98.4 | 116.9 | 164.6 | -67.6 | 176.6 | -81.3 | 0 | 0 | 109.2 | ||||
| 1262 | Y | 30.9 | Very low | 30 | Very low | 190 Ų | 190 | 158.3 Ų | 158.3 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | -149.2 | 141 | 162.7 | -81.6 | -93.3 | 0 | 0 | 0 | 109.3 | Y1260 | Y1260-Y1262 AromaticContact CD1-CD2 3.92Å; Y1260-Y1262 HydrophobicContact CD1-CD2 3.92Å; Y1260-Y1262 AromaticContact CD1-CE2 3.81Å; Y1260-Y1262 HydrophobicContact CD1-CE2 3.81Å; Y1260-Y1262 AromaticContact CE1-CE2 3.99Å; Y1260-Y1262 HydrophobicContact CE1-CE2 3.99Å | ||
| 1263 | F | 30.3 | Very low | 29.9 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | cis | -156.6 | 167.7 | -29 | -142.5 | -90.3 | 0 | 0 | 0 | 107.2 | ||||
| 1264 | N | 28.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 162.9 Ų | 162.9 | 67% | 0.674 | 80% | 0.8 | S | S | * | * | trans | -50.5 | 145.8 | -175 | -59.8 | -23.3 | 0 | 0 | 0 | 115.1 | ||||
| 1265 | N | 30.4 | Very low | 29.5 | Very low | 160 Ų | 160 | 166.5 Ų | 166.5 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -146.5 | 86.7 | 139.7 | -114.1 | -14 | 0 | 0 | 0 | 110.8 | ||||
| 1266 | T | 27.5 | Very low | 29.3 | Very low | 129 Ų | 129 | 171.1 Ų | 171.1 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -81.1 | 120.5 | 164.5 | 26.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1267 | L | 31.4 | Very low | 29.1 | Very low | 159 Ų | 159 | 173.8 Ų | 173.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -153.2 | 130.5 | 167.1 | -116.6 | 158.8 | 0 | 0 | 0 | 109.7 | ||||
| 1268 | H | 24.8 | Very low | 29 | Very low | 183 Ų | 183 | 174.8 Ų | 174.8 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 137.5 | -177.5 | -76.3 | -83.7 | 0 | 0 | 0 | 112.6 | ||||
| 1269 | Y | 29.7 | Very low | 28.9 | Very low | 242 Ų | 242 | 170.1 Ų | 170.1 | 95% | 0.949 | 80% | 0.797 | S | S | * | * | -152.8 | 0 | 113.4 | -122.7 | -74.7 | 0 | 0 | 0 | 111.5 | S121 | S121-Y1269 VanDerWaalsContact CB-CE2 3.47Å; S121-Y1269 VanDerWaalsContact CB-CZ 3.4Å |
Retrieved 1,269 of 1,269 residues in 395.9 ms
(Link to these results)