| 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 | 40 | Very low | 39.6 | Very low | 252 Ų | 252 | 146.3 Ų | 146.3 | 100% | 1.241 | 81% | 0.813 | S | S | * | * | 0 | 99.9 | 0 | -60 | -173.2 | 90.7 | 0 | 0 | 106.7 | |||||
| 2 | S | 34.7 | Very low | 39.9 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -114 | 117.2 | -179.8 | -169.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | S | 38.3 | Very low | 40 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -95.6 | 110.1 | -178.7 | -166.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | S | 39.6 | Very low | 40.3 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -86.4 | 108.3 | 172 | -62.6 | 0 | 0 | 0 | 0 | 109.2 | F6 | S4-F6 PolarHBondContact O-N 3.41Š| ||
| 5 | L | 42.4 | Very low | 41 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -76.3 | 107.6 | 171.7 | -164.9 | 75.4 | 0 | 0 | 0 | 108.4 | L7 | L5-L7 HydrophobicContact CD2-CD1 4.2Å; L5-L7 PolarHBondContact O-N 3.23Å | ||
| 6 | F | 42.1 | Very low | 41.8 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -74.9 | 102.1 | 168.1 | -92.4 | -88.5 | 0 | 0 | 0 | 108.6 | S4 L8 | S4-F6 PolarHBondContact O-N 3.41Å; F6-L8 PolarHBondContact O-N 3.31Å | ||
| 7 | L | 39.7 | Very low | 43.4 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 71% | 0.707 | 78% | 0.782 | S | S | * | * | trans | -73 | 106.9 | 162.1 | -97.7 | 111.7 | 0 | 0 | 0 | 108.3 | L5 L9 | L5-L7 HydrophobicContact CD2-CD1 4.2Å; L5-L7 PolarHBondContact O-N 3.23Å; L7-L9 PolarHBondContact O-N 3.12Å; L7-L9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | L | 40.7 | Very low | 46.1 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -67.6 | 101.8 | 157.6 | -101.7 | 95.6 | 0 | 0 | 0 | 107.4 | F6 S10 | F6-L8 PolarHBondContact O-N 3.31Å; L8-S10 PolarHBondContact O-N 3.08Å; L8-S10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | L | 38.2 | Very low | 48.6 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | -71.1 | 97.1 | 164.3 | -133.6 | 85.4 | 0 | 0 | 0 | 107 | L7 L11 | L7-L9 PolarHBondContact O-N 3.12Å; L7-L9 VanDerWaalsContact O-N 3.12Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.98Å | ||
| 10 | S | 41.5 | Very low | 50.9 | Low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -63.9 | 98.7 | 161.6 | 50.7 | 0 | 0 | 0 | 0 | 107.3 | L8 L12 | L8-S10 PolarHBondContact O-N 3.08Å; L8-S10 VanDerWaalsContact O-N 3.08Å; S10-L12 VanDerWaalsContact C-N 3.27Å; S10-L12 PolarHBondContact O-N 2.9Å | ||
| 11 | L | 38.7 | Very low | 53.1 | Low | 146 Ų | 146 | 127 Ų | 127 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | trans | -60.7 | 94.6 | 166.2 | -80.4 | 152.7 | 0 | 0 | 0 | 107.1 | L9 V13 | L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.98Å; L11-V13 PolarHBondContact O-N 2.87Å | ||
| 12 | L | 42.4 | Very low | 55.8 | Low | 156 Ų | 156 | 116.9 Ų | 116.9 | 82% | 0.817 | 64% | 0.639 | S | S | * | * | trans | -62.6 | 93 | 153.7 | -91.4 | 94.5 | 0 | 0 | 0 | 105.2 | S10 P14 | S10-L12 VanDerWaalsContact C-N 3.27Å; S10-L12 PolarHBondContact O-N 2.9Å; L12-P14 VanDerWaalsContact O-CD 3.25Å; L12-P14 WeakPolarHBondContact O-CD 3.25Å; L12-P14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | V | 41.9 | Very low | 58.8 | Low | 111 Ų | 111 | 111.9 Ų | 111.9 | 67% | 0.673 | 60% | 0.602 | S | S | * | * | trans | -61.9 | 115 | 162.8 | -177.5 | 0 | 0 | 0 | 0 | 104.4 | L11 T15 | L11-V13 PolarHBondContact O-N 2.87Å; V13-T15 PolarHBondContact O-N 3.08Å; V13-T15 VanDerWaalsContact O-N 3.08Å | ||
| 14 | P | 44.2 | Very low | 61.6 | Low | 101 Ų | 101 | 109.7 Ų | 109.7 | 66% | 0.656 | 58% | 0.581 | S | S | * | * | trans | -57.6 | 124.3 | 172.6 | 24.8 | -30.4 | 0 | 0 | 0 | 105.7 | L12 L16 | L12-P14 VanDerWaalsContact O-CD 3.25Å; L12-P14 WeakPolarHBondContact O-CD 3.25Å; L12-P14 VanDerWaalsContact O-N 3.17Å; P14-L16 PolarHBondContact O-N 2.65Å | ||
| 15 | T | 50.4 | Low | 64.3 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 60% | 0.595 | 55% | 0.552 | S | S | * | * | trans | -51.6 | 105.5 | 173 | 44.7 | 0 | 0 | 0 | 0 | 106.9 | V13 M17 | V13-T15 PolarHBondContact O-N 3.08Å; V13-T15 VanDerWaalsContact O-N 3.08Å; T15-M17 PolarHBondContact O-N 3.11Å | ||
| 16 | L | 53.7 | Low | 66.9 | Low | 149 Ų | 149 | 107 Ų | 107 | 78% | 0.78 | 55% | 0.547 | S | S | * | . | trans | -55.1 | 114.9 | 175.5 | -110.8 | 89.6 | 0 | 0 | 0 | 105.9 | P14 L18 | P14-L16 PolarHBondContact O-N 2.65Å; L16-L18 PolarHBondContact O-N 3.16Å | ||
| 17 | M | 69.3 | Low | 69.6 | Low | 167 Ų | 167 | 100.3 Ų | 100.3 | 82% | 0.823 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 128.4 | 169.6 | -65.5 | -173.8 | 84 | 0 | 0 | 106.7 | T15 E19 | T15-M17 PolarHBondContact O-N 3.11Å; M17-E19 PolarHBondContact O-N 3Å; M17-E19 VanDerWaalsContact O-N 3.11Å |
| 18 | L | 91.2 | Very high | 72.4 | Confident | 21 Ų | 21 | 94.1 Ų | 94.1 | 11% | 0.11 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 117.3 | 178.7 | 179.8 | 70.2 | 0 | 0 | 0 | 108.9 | L16 H23 Y31 L95 Q96 A99 | L16-L18 PolarHBondContact O-N 3.16Å; L18-H23 WeakPolarHBondContact CD1-NE2 3.48Å; L18-Y31 HydrophobicContact CB-CE2 4.32Å; L18-Y31 HydrophobicContact CD1-CD2 3.82Å; L18-Y31 HydrophobicContact CD1-CE2 3.81Å; L18-Y31 HydrophobicContact CD1-CG 4.29Å; L18-Y31 HydrophobicContact CD2-CE1 4.43Å; L18-Y31 HydrophobicContact CD2-CE2 4.37Å; L18-Y31 HydrophobicContact CG-CE2 4.39Å; L18-L95 HydrophobicContact CD2-CB 3.44Å; L18-L95 VanDerWaalsContact CD2-CB 3.44Å; L18-Q96 HydrophobicContact CD2-CG 4.31Å; L18-Q96 PolarHBondContact O-NE2 3.11Å; L18-A99 HydrophobicContact CB-CB 4.39Å |
| 19 | E | 93.6 | Very high | 75.1 | Confident | 108 Ų | 108 | 90 Ų | 90 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 146.9 | -175.4 | -65.3 | 179.5 | 165.4 | 0 | 0 | 111.8 | M17 R21 H23 Q96 | M17-E19 PolarHBondContact O-N 3Å; M17-E19 VanDerWaalsContact O-N 3.11Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.13Å; E19-R21 PolarHBondContact O-N 2.91Å; E19-R21 WeakPolarHBondContact OE2-CD 3.42Å; E19-R21 IonicContact OE2-NE 3.11Å; E19-R21 PolarHBondContact OE2-NE 3.13Å; E19-H23 PolarHBondContact O-CE1 3.33Å; E19-H23 VanDerWaalsContact O-CE1 3.31Å; E19-Q96 PolarHBondContact O-NE2 3.47Å |
| 20 | F | 96.3 | Very high | 77.9 | Confident | 69 Ų | 69 | 88.2 Ų | 88.2 | 30% | 0.303 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -81.5 | 82.9 | 170.9 | -76.4 | -75.9 | 0 | 0 | 0 | 110.5 | Q96 L301 P302 W305 | F20-Q96 HydrophobicContact CD1-CG 4.3Å; F20-Q96 HydrophobicContact CE1-CG 3.67Å; F20-Q96 HydrophobicContact CZ-CG 4.21Å; F20-L301 HydrophobicContact CB-CB 4.17Å; F20-L301 HydrophobicContact CD1-CB 4.02Å; F20-P302 HydrophobicContact CB-CG 3.73Å; F20-P302 HydrophobicContact CD1-CB 4.48Å; F20-P302 HydrophobicContact CD1-CG 4.29Å; F20-P302 HydrophobicContact CD2-CB 4.08Å; F20-P302 HydrophobicContact CD2-CG 3.89Å; F20-P302 HydrophobicContact CE2-CB 4.33Å; F20-P302 HydrophobicContact CG-CB 4.16Å; F20-P302 HydrophobicContact CG-CG 3.71Å; F20-W305 HydrophobicContact CE1-CB 3.52Å; F20-W305 AromaticContact CE1-CD1 3.97Å; F20-W305 AromaticContact CE1-CG 3.78Å; F20-W305 HydrophobicContact CE1-CG 3.78Å; F20-W305 HydrophobicContact CZ-CB 3.98Å; F20-W305 AromaticContact CZ-CD1 3.52Å; F20-W305 AromaticContact CZ-CG 3.82Å; F20-W305 HydrophobicContact CZ-CG 3.82Å |
| 21 | R | 95.6 | Very high | 80.6 | Confident | 78 Ų | 78 | 85.6 Ų | 85.6 | 29% | 0.294 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -150.9 | 171.1 | 174.4 | 65.1 | 177.5 | 179.8 | 85.1 | -7.4 | 111.1 | E19 H23 E27 | E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.13Å; E19-R21 PolarHBondContact O-N 2.91Å; E19-R21 WeakPolarHBondContact OE2-CD 3.42Å; E19-R21 IonicContact OE2-NE 3.11Å; E19-R21 PolarHBondContact OE2-NE 3.13Å; R21-H23 PolarHBondContact O-CE1 3.37Å; R21-H23 PolarHBondContact O-ND1 3.49Å; R21-E27 IonicContact CZ-OE1 3.54Å; R21-E27 IonicContact CZ-OE2 2.82Å; R21-E27 VanDerWaalsContact NH1-CD 3.29Å; R21-E27 IonicContact NH1-OE1 3.68Å; R21-E27 PolarHBondContact NH1-OE1 3.09Å; R21-E27 IonicContact NH1-OE2 3.7Å; R21-E27 PolarHBondContact NH1-OE2 3.39Å; R21-E27 IonicContact NH2-OE1 2.71Å; R21-E27 PolarHBondContact NH2-OE1 3.3Å; R21-E27 IonicContact NH2-OE2 2.96Å |
| 22 | Y | 97 | Very high | 83.5 | Confident | 40 Ų | 40 | 78.6 Ų | 78.6 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | trans | -73.4 | 128.3 | 168.3 | -61.1 | -58.5 | 0 | 0 | 0 | 110 | V88 V92 F295 P296 P298 L301 | Y22-V88 HydrophobicContact CD1-CB 4.4Å; Y22-V88 HydrophobicContact CD1-CG2 4.2Å; Y22-V88 HydrophobicContact CE1-CB 3.98Å; Y22-V88 HydrophobicContact CE1-CG2 3.39Å; Y22-V92 HydrophobicContact CD1-CG2 3.86Å; Y22-V92 HydrophobicContact CE1-CG2 3.92Å; Y22-F295 HydrophobicContact CD1-CE1 4.24Å; Y22-F295 HydrophobicContact CD2-CD1 4.46Å; Y22-F295 AromaticContact CD2-CE1 3.55Å; Y22-F295 HydrophobicContact CD2-CE1 3.55Å; Y22-F295 HydrophobicContact CD2-CZ 4.27Å; Y22-F295 HydrophobicContact CE1-CD1 4.44Å; Y22-F295 HydrophobicContact CE1-CE1 4.04Å; Y22-F295 AromaticContact CE2-CD1 3.76Å; Y22-F295 HydrophobicContact CE2-CD1 3.76Å; Y22-F295 AromaticContact CE2-CE1 3.28Å; Y22-F295 HydrophobicContact CE2-CE1 3.28Å; Y22-F295 HydrophobicContact CE2-CZ 4.34Å; Y22-F295 HydrophobicContact CG-CE1 4.02Å; Y22-F295 HydrophobicContact CG-CZ 4.37Å; Y22-F295 AromaticContact CZ-CD1 3.74Å; Y22-F295 AromaticContact CZ-CE1 3.53Å; Y22-P296 WeakPolarHBondContact OH-CD 3.45Å; Y22-P296 PolarHBondContact OH-O 2.96Å; Y22-P298 HydrophobicContact CD2-CG 3.96Å; Y22-P298 HydrophobicContact CE2-CG 3.8Å; Y22-L301 HydrophobicContact CE1-CD1 4.21Å; Y22-L301 HydrophobicContact CE1-CD2 4.15Å | ||
| 23 | H | 97.2 | Very high | 86.2 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 7% | 0.069 | 37% | 0.371 | C | S | . | . | trans | -107.1 | 126.8 | 176.5 | -66.4 | 66.1 | 0 | 0 | 0 | 108.1 | L18 E19 R21 E27 I28 R91 L95 | L18-H23 WeakPolarHBondContact CD1-NE2 3.48Å; E19-H23 PolarHBondContact O-CE1 3.33Å; E19-H23 VanDerWaalsContact O-CE1 3.31Å; R21-H23 PolarHBondContact O-CE1 3.37Å; R21-H23 PolarHBondContact O-ND1 3.49Å; H23-E27 VanDerWaalsContact CA-OE2 3.29Å; H23-E27 WeakPolarHBondContact CA-OE2 3.48Å; H23-E27 HydrophobicContact CB-CB 4.06Å; H23-I28 HydrophobicContact CB-CG1 3.87Å; H23-R91 PolarHBondContact O-NE 2.95Å; H23-R91 PolarHBondContact O-NH2 3.46Å; H23-L95 HydrophobicContact CB-CD1 4.47Å | ||
| 24 | D | 97.2 | Very high | 88.8 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | trans | -66.7 | 171.1 | 175.2 | 74.2 | 37.4 | 0 | 0 | 0 | 111.6 | R26 E27 I28 R91 | D24-R26 PolarHBondContact O-N 3.01Å; D24-R26 WeakPolarHBondContact OD1-CA 3.38Å; D24-R26 VanDerWaalsContact OD1-CB 3.31Å; D24-R26 WeakPolarHBondContact OD1-CB 3.43Å; D24-R26 PolarHBondContact OD1-N 2.84Å; D24-E27 PolarHBondContact N-OE2 2.88Å; D24-E27 PolarHBondContact O-N 2.88Å; D24-E27 WeakPolarHBondContact OD1-CG 3.3Å; D24-E27 PolarHBondContact OD1-N 3.38Å; D24-I28 PolarHBondContact O-N 2.82Å; D24-R91 VanDerWaalsContact C-NH2 3.29Å; D24-R91 PolarHBondContact O-NH2 3.35Å | ||
| 25 | N | 97.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 70 Ų | 70 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61 | -33.1 | -176.6 | -69.5 | -36.9 | 0 | 0 | 0 | 112.9 | E29 Q56 R91 P129 D133 | N25-E29 PolarHBondContact O-N 3.36Å; N25-E29 VanDerWaalsContact O-N 3.08Å; N25-Q56 VanDerWaalsContact CG-OE1 3.32Å; N25-Q56 PolarHBondContact ND2-NE2 2.85Å; N25-Q56 PolarHBondContact ND2-OE1 3.19Å; N25-R91 VanDerWaalsContact OD1-CZ 3.27Å; N25-R91 PolarHBondContact OD1-NH1 3.37Å; N25-R91 PolarHBondContact OD1-NH2 2.74Å; N25-P129 WeakPolarHBondContact ND2-CB 3.42Å; N25-P129 PolarHBondContact ND2-O 2.79Å; N25-P129 WeakPolarHBondContact OD1-CB 3.22Å; N25-D133 PolarHBondContact ND2-OD1 2.87Å; N25-D133 PolarHBondContact ND2-OD2 2.88Å |
| 26 | R | 97.1 | Very high | 93.6 | Very high | 175 Ų | 175 | 66.6 Ų | 66.6 | 66% | 0.66 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.2 | -41.8 | 178 | -178.2 | -175.8 | 178.5 | -179.4 | 1.9 | 111.2 | D24 I28 E29 Q30 | D24-R26 PolarHBondContact O-N 3.01Å; D24-R26 WeakPolarHBondContact OD1-CA 3.38Å; D24-R26 VanDerWaalsContact OD1-CB 3.31Å; D24-R26 WeakPolarHBondContact OD1-CB 3.43Å; D24-R26 PolarHBondContact OD1-N 2.84Å; R26-I28 VanDerWaalsContact C-N 3.34Å; R26-E29 PolarHBondContact O-N 2.95Å; R26-Q30 WeakPolarHBondContact O-CB 3.27Å; R26-Q30 VanDerWaalsContact O-CG 3.27Å; R26-Q30 WeakPolarHBondContact O-CG 3.43Å; R26-Q30 PolarHBondContact O-N 3.1Å |
| 27 | E | 97.8 | Very high | 95.8 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.4 | -69.1 | -178.6 | 127.4 | 0 | 0 | 111.5 | R21 H23 D24 Q30 Y31 | R21-E27 IonicContact CZ-OE1 3.54Å; R21-E27 IonicContact CZ-OE2 2.82Å; R21-E27 VanDerWaalsContact NH1-CD 3.29Å; R21-E27 IonicContact NH1-OE1 3.68Å; R21-E27 PolarHBondContact NH1-OE1 3.09Å; R21-E27 IonicContact NH1-OE2 3.7Å; R21-E27 PolarHBondContact NH1-OE2 3.39Å; R21-E27 IonicContact NH2-OE1 2.71Å; R21-E27 PolarHBondContact NH2-OE1 3.3Å; R21-E27 IonicContact NH2-OE2 2.96Å; H23-E27 VanDerWaalsContact CA-OE2 3.29Å; H23-E27 WeakPolarHBondContact CA-OE2 3.48Å; H23-E27 HydrophobicContact CB-CB 4.06Å; D24-E27 PolarHBondContact N-OE2 2.88Å; D24-E27 PolarHBondContact O-N 2.88Å; D24-E27 WeakPolarHBondContact OD1-CG 3.3Å; D24-E27 PolarHBondContact OD1-N 3.38Å; E27-Q30 PolarHBondContact O-N 3.28Å; E27-Y31 VanDerWaalsContact O-CB 3.3Å; E27-Y31 WeakPolarHBondContact O-CB 3.19Å; E27-Y31 PolarHBondContact O-N 3.41Å |
| 28 | I | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 172.1 | -70.5 | -164.5 | 0 | 0 | 0 | 111 | H23 D24 R26 Q30 Y31 L32 R91 L95 P125 | H23-I28 HydrophobicContact CB-CG1 3.87Å; D24-I28 PolarHBondContact O-N 2.82Å; R26-I28 VanDerWaalsContact C-N 3.34Å; I28-Q30 VanDerWaalsContact C-N 3.33Å; I28-Q30 PolarHBondContact O-N 2.89Å; I28-Y31 PolarHBondContact O-N 2.9Å; I28-L32 HydrophobicContact CG2-CD1 3.73Å; I28-L32 HydrophobicContact CG2-CG 4.1Å; I28-L32 WeakPolarHBondContact O-CB 3.19Å; I28-L32 VanDerWaalsContact O-CG 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.33Å; I28-L32 PolarHBondContact O-N 2.94Å; I28-R91 HydrophobicContact CD1-CG 3.75Å; I28-L95 HydrophobicContact CD1-CD1 3.71Å; I28-L95 HydrophobicContact CD1-CD2 4.26Å; I28-L95 HydrophobicContact CD1-CG 4.35Å; I28-L95 HydrophobicContact CG1-CD1 3.81Å; I28-L95 HydrophobicContact CG1-CD2 4.35Å; I28-L95 HydrophobicContact CG2-CD2 4.16Å; I28-P125 HydrophobicContact CD1-CB 4.47Å |
| 29 | E | 97.9 | Very high | 97.4 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.6 | -50 | 177.1 | 173 | 172.4 | 173.7 | 0 | 0 | 111.1 | N25 R26 Y31 L32 V33 W59 | N25-E29 PolarHBondContact O-N 3.36Å; N25-E29 VanDerWaalsContact O-N 3.08Å; R26-E29 PolarHBondContact O-N 2.95Å; E29-Y31 VanDerWaalsContact C-N 3.34Å; E29-Y31 PolarHBondContact O-N 2.94Å; E29-L32 PolarHBondContact O-N 2.91Å; E29-V33 HydrophobicContact CG-CG2 4.33Å; E29-V33 WeakPolarHBondContact O-CB 3.25Å; E29-V33 VanDerWaalsContact O-CG2 3.27Å; E29-V33 WeakPolarHBondContact O-CG2 3.31Å; E29-V33 PolarHBondContact O-N 2.85Å; E29-W59 HydrophobicContact CG-CZ2 4.09Å; E29-W59 VanDerWaalsContact CG-NE1 3.35Å |
| 30 | Q | 98 | Very high | 97.6 | Very high | 102 Ų | 102 | 56.2 Ų | 56.2 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 179.2 | -73.2 | 174.1 | -17.6 | 0 | 0 | 112 | R26 E27 I28 Q34 | R26-Q30 WeakPolarHBondContact O-CB 3.27Å; R26-Q30 VanDerWaalsContact O-CG 3.27Å; R26-Q30 WeakPolarHBondContact O-CG 3.43Å; R26-Q30 PolarHBondContact O-N 3.1Å; E27-Q30 PolarHBondContact O-N 3.28Å; I28-Q30 VanDerWaalsContact C-N 3.33Å; I28-Q30 PolarHBondContact O-N 2.89Å; Q30-Q34 VanDerWaalsContact O-CB 3.3Å; Q30-Q34 WeakPolarHBondContact O-CB 3.44Å; Q30-Q34 PolarHBondContact O-N 3.49Å |
| 31 | Y | 98.1 | Very high | 97.6 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 176.2 | 170.6 | -102.2 | 0 | 0 | 0 | 111.8 | L18 E27 I28 E29 V33 Q34 V35 L95 I98 A99 | L18-Y31 HydrophobicContact CB-CE2 4.32Å; L18-Y31 HydrophobicContact CD1-CD2 3.82Å; L18-Y31 HydrophobicContact CD1-CE2 3.81Å; L18-Y31 HydrophobicContact CD1-CG 4.29Å; L18-Y31 HydrophobicContact CD2-CE1 4.43Å; L18-Y31 HydrophobicContact CD2-CE2 4.37Å; L18-Y31 HydrophobicContact CG-CE2 4.39Å; E27-Y31 VanDerWaalsContact O-CB 3.3Å; E27-Y31 WeakPolarHBondContact O-CB 3.19Å; E27-Y31 PolarHBondContact O-N 3.41Å; I28-Y31 PolarHBondContact O-N 2.9Å; E29-Y31 VanDerWaalsContact C-N 3.34Å; E29-Y31 PolarHBondContact O-N 2.94Å; Y31-V33 PolarHBondContact O-N 3.28Å; Y31-Q34 PolarHBondContact O-N 2.9Å; Y31-V35 HydrophobicContact CD1-CG2 4.41Å; Y31-V35 HydrophobicContact CD2-CG2 3.96Å; Y31-V35 HydrophobicContact CE1-CG2 3.99Å; Y31-V35 HydrophobicContact CE2-CG2 3.48Å; Y31-V35 VanDerWaalsContact CE2-CG2 3.48Å; Y31-V35 HydrophobicContact CG-CG2 4.41Å; Y31-V35 WeakPolarHBondContact O-CB 3.34Å; Y31-V35 WeakPolarHBondContact O-CG2 3.34Å; Y31-V35 PolarHBondContact O-N 2.89Å; Y31-L95 HydrophobicContact CD1-CD2 3.89Å; Y31-L95 HydrophobicContact CE1-CB 4.37Å; Y31-L95 HydrophobicContact CE1-CD2 4.01Å; Y31-L95 PolarHBondContact OH-O 2.9Å; Y31-I98 HydrophobicContact CE1-CG2 4.18Å; Y31-A99 PolarHBondContact OH-N 2.85Å |
| 32 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -40.3 | -178.5 | -66.8 | 178.5 | 0 | 0 | 0 | 111.9 | I28 E29 S36 L45 W59 L61 L95 I98 P125 | I28-L32 HydrophobicContact CG2-CD1 3.73Å; I28-L32 HydrophobicContact CG2-CG 4.1Å; I28-L32 WeakPolarHBondContact O-CB 3.19Å; I28-L32 VanDerWaalsContact O-CG 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.33Å; I28-L32 PolarHBondContact O-N 2.94Å; E29-L32 PolarHBondContact O-N 2.91Å; L32-S36 VanDerWaalsContact O-CB 3.31Å; L32-S36 WeakPolarHBondContact O-CB 3.27Å; L32-S36 PolarHBondContact O-N 3.26Å; L32-L45 HydrophobicContact CB-CD1 3.83Å; L32-L45 HydrophobicContact CB-CD2 4.08Å; L32-L45 HydrophobicContact CD1-CD1 4.19Å; L32-W59 HydrophobicContact CD1-CB 3.6Å; L32-W59 HydrophobicContact CD1-CG 4.32Å; L32-L61 HydrophobicContact CD2-CB 4.23Å; L32-L61 HydrophobicContact CD2-CD2 4.3Å; L32-L95 HydrophobicContact CD2-CD2 4.33Å; L32-I98 HydrophobicContact CD2-CD1 3.65Å; L32-P125 HydrophobicContact CD1-CG 4.33Å |
| 33 | V | 98.5 | Very high | 97.8 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 110.2 | E29 Y31 S36 A37 L45 | E29-V33 HydrophobicContact CG-CG2 4.33Å; E29-V33 WeakPolarHBondContact O-CB 3.25Å; E29-V33 VanDerWaalsContact O-CG2 3.27Å; E29-V33 WeakPolarHBondContact O-CG2 3.31Å; E29-V33 PolarHBondContact O-N 2.85Å; Y31-V33 PolarHBondContact O-N 3.28Å; V33-S36 PolarHBondContact O-N 2.97Å; V33-A37 WeakPolarHBondContact O-CB 3.46Å; V33-A37 PolarHBondContact O-N 3.46Å; V33-L45 HydrophobicContact CB-CD2 4.29Å; V33-L45 HydrophobicContact CG2-CD2 3.59Å |
| 34 | Q | 97.9 | Very high | 97.9 | Very high | 103 Ų | 103 | 54.2 Ų | 54.2 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 179.8 | -173.5 | 62.2 | 44.4 | 0 | 0 | 111.7 | Q30 Y31 S36 A37 D38 | Q30-Q34 VanDerWaalsContact O-CB 3.3Å; Q30-Q34 WeakPolarHBondContact O-CB 3.44Å; Q30-Q34 PolarHBondContact O-N 3.49Å; Y31-Q34 PolarHBondContact O-N 2.9Å; Q34-S36 VanDerWaalsContact C-N 3.27Å; Q34-S36 PolarHBondContact O-N 3.27Å; Q34-A37 PolarHBondContact O-N 2.92Å; Q34-A37 VanDerWaalsContact O-N 3.13Å; Q34-D38 PolarHBondContact NE2-OD1 3.24Å; Q34-D38 PolarHBondContact NE2-OD2 3.16Å; Q34-D38 WeakPolarHBondContact O-CB 3.34Å; Q34-D38 VanDerWaalsContact O-CG 3.31Å; Q34-D38 PolarHBondContact O-N 3.42Å |
| 35 | V | 97.9 | Very high | 98 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 177.2 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | Y31 D38 N39 T43 L61 I98 V102 | Y31-V35 HydrophobicContact CD1-CG2 4.41Å; Y31-V35 HydrophobicContact CD2-CG2 3.96Å; Y31-V35 HydrophobicContact CE1-CG2 3.99Å; Y31-V35 HydrophobicContact CE2-CG2 3.48Å; Y31-V35 VanDerWaalsContact CE2-CG2 3.48Å; Y31-V35 HydrophobicContact CG-CG2 4.41Å; Y31-V35 WeakPolarHBondContact O-CB 3.34Å; Y31-V35 WeakPolarHBondContact O-CG2 3.34Å; Y31-V35 PolarHBondContact O-N 2.89Å; V35-D38 PolarHBondContact O-N 3.04Å; V35-N39 WeakPolarHBondContact O-CB 3.46Å; V35-N39 PolarHBondContact O-N 2.99Å; V35-N39 VanDerWaalsContact O-N 3.11Å; V35-N39 PolarHBondContact O-ND2 3.41Å; V35-T43 HydrophobicContact CG1-CG2 4.45Å; V35-L61 HydrophobicContact CG1-CD2 3.97Å; V35-I98 HydrophobicContact CG1-CG2 3.93Å; V35-V102 HydrophobicContact CG1-CG2 4.04Å |
| 36 | S | 98.1 | Very high | 98 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 113 | L32 V33 Q34 T43 L45 | L32-S36 VanDerWaalsContact O-CB 3.31Å; L32-S36 WeakPolarHBondContact O-CB 3.27Å; L32-S36 PolarHBondContact O-N 3.26Å; V33-S36 PolarHBondContact O-N 2.97Å; Q34-S36 VanDerWaalsContact C-N 3.27Å; Q34-S36 PolarHBondContact O-N 3.27Å; S36-T43 WeakPolarHBondContact CA-OG1 3.35Å; S36-T43 PolarHBondContact O-OG1 2.9Å; S36-L45 PolarHBondContact OG-N 2.87Å |
| 37 | A | 97.9 | Very high | 98.1 | Very high | 67 Ų | 67 | 47.3 Ų | 47.3 | 55% | 0.554 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -72 | -37.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V33 Q34 P40 | V33-A37 WeakPolarHBondContact O-CB 3.46Å; V33-A37 PolarHBondContact O-N 3.46Å; Q34-A37 PolarHBondContact O-N 2.92Å; Q34-A37 VanDerWaalsContact O-N 3.13Å; A37-P40 WeakPolarHBondContact O-CD 3.47Å |
| 38 | D | 97.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 46.1 Ų | 46.1 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -82.1 | -12.2 | -178.2 | -67.1 | -19.3 | 0 | 0 | 0 | 113.8 | Q34 V35 R106 | Q34-D38 PolarHBondContact NE2-OD1 3.24Å; Q34-D38 PolarHBondContact NE2-OD2 3.16Å; Q34-D38 WeakPolarHBondContact O-CB 3.34Å; Q34-D38 VanDerWaalsContact O-CG 3.31Å; Q34-D38 PolarHBondContact O-N 3.42Å; V35-D38 PolarHBondContact O-N 3.04Å; D38-R106 PolarHBondContact O-NH2 3.11Å |
| 39 | N | 97.5 | Very high | 98.1 | Very high | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | trans | -136.9 | 50.4 | -177.1 | -55 | -82.1 | 0 | 0 | 0 | 112.9 | V35 D41 I42 T43 V102 R106 | V35-N39 WeakPolarHBondContact O-CB 3.46Å; V35-N39 PolarHBondContact O-N 2.99Å; V35-N39 VanDerWaalsContact O-N 3.11Å; V35-N39 PolarHBondContact O-ND2 3.41Å; N39-D41 PolarHBondContact O-N 3.01Å; N39-D41 VanDerWaalsContact O-N 3.11Å; N39-I42 HydrophobicContact CB-CD1 4.32Å; N39-I42 HydrophobicContact CB-CG1 3.92Å; N39-I42 PolarHBondContact O-N 2.95Å; N39-I42 VanDerWaalsContact O-N 3.16Å; N39-T43 HydrophobicContact CB-CG2 4.04Å; N39-T43 PolarHBondContact O-N 3.33Å; N39-T43 PolarHBondContact O-OG1 3.29Å; N39-V102 WeakPolarHBondContact OD1-CG1 3.37Å; N39-R106 VanDerWaalsContact CG-NH2 3.27Å; N39-R106 PolarHBondContact ND2-NH2 2.88Å; N39-R106 PolarHBondContact OD1-NE 3.3Å; N39-R106 PolarHBondContact OD1-NH2 2.86Å | ||
| 40 | P | 97.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.7 | -170.7 | 28.8 | -36.5 | 0 | 0 | 0 | 113.6 | A37 I42 | A37-P40 WeakPolarHBondContact O-CD 3.47Å; P40-I42 VanDerWaalsContact C-N 3.32Å |
| 41 | D | 96.8 | Very high | 98.1 | Very high | 115 Ų | 115 | 44.1 Ų | 44.1 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -28.4 | -179.9 | -61.2 | -33.5 | 0 | 0 | 0 | 112.8 | N39 | N39-D41 PolarHBondContact O-N 3.01Å; N39-D41 VanDerWaalsContact O-N 3.11Å |
| 42 | I | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -2 | -174.5 | 56.8 | 149.8 | 0 | 0 | 0 | 114.1 | N39 P40 L63 G64 L65 V102 Y105 L116 | N39-I42 HydrophobicContact CB-CD1 4.32Å; N39-I42 HydrophobicContact CB-CG1 3.92Å; N39-I42 PolarHBondContact O-N 2.95Å; N39-I42 VanDerWaalsContact O-N 3.16Å; P40-I42 VanDerWaalsContact C-N 3.32Å; I42-L63 CarbonylContact O-C 3.57Å; I42-L63 WeakPolarHBondContact O-CA 3.46Å; I42-G64 CarbonylContact C-O 3.5Å; I42-G64 WeakPolarHBondContact CA-O 3.37Å; I42-G64 PolarHBondContact O-N 3.38Å; I42-L65 HydrophobicContact CG2-CD2 3.96Å; I42-V102 HydrophobicContact CD1-CG2 4.23Å; I42-Y105 HydrophobicContact CD1-CD1 3.57Å; I42-Y105 HydrophobicContact CD1-CD2 4.36Å; I42-Y105 HydrophobicContact CD1-CE1 4.24Å; I42-Y105 HydrophobicContact CD1-CG 3.64Å; I42-Y105 HydrophobicContact CG1-CD1 3.99Å; I42-Y105 HydrophobicContact CG1-CE1 4.16Å; I42-Y105 HydrophobicContact CG1-CG 4.35Å; I42-Y105 HydrophobicContact CG2-CD1 4.04Å; I42-Y105 HydrophobicContact CG2-CD2 3.72Å; I42-Y105 HydrophobicContact CG2-CE1 3.71Å; I42-Y105 HydrophobicContact CG2-CE2 3.39Å; I42-Y105 HydrophobicContact CG2-CG 4.05Å; I42-L116 HydrophobicContact CD1-CD1 4.24Å |
| 43 | T | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.6 | -177.7 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | V35 S36 N39 L61 A62 L63 P67 V102 | V35-T43 HydrophobicContact CG1-CG2 4.45Å; S36-T43 WeakPolarHBondContact CA-OG1 3.35Å; S36-T43 PolarHBondContact O-OG1 2.9Å; N39-T43 HydrophobicContact CB-CG2 4.04Å; N39-T43 PolarHBondContact O-N 3.33Å; N39-T43 PolarHBondContact O-OG1 3.29Å; T43-L61 HydrophobicContact CG2-CD2 4.33Å; T43-A62 CarbonylContact C-O 3.29Å; T43-A62 VanDerWaalsContact CA-O 3.25Å; T43-A62 WeakPolarHBondContact CA-O 3.32Å; T43-L63 HydrophobicContact CG2-CD2 4.14Å; T43-L63 HydrophobicContact CG2-CG 4.25Å; T43-P67 WeakPolarHBondContact O-CG 3.46Å; T43-V102 HydrophobicContact CG2-CG2 4.42Å |
| 44 | H | 98.7 | Very high | 96.7 | Very high | 45 Ų | 45 | 50 Ų | 50 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 110.4 | 172 | 175.9 | -98.7 | 0 | 0 | 0 | 109.6 | Y46 A62 P67 R68 | H44-Y46 AromaticContact CE1-CD1 3.86Å; H44-Y46 AromaticContact ND1-CD1 3.43Å; H44-Y46 WeakPolarHBondContact ND1-CD1 3.19Å; H44-A62 HydrophobicContact CB-CB 4.4Å; H44-A62 PolarHBondContact N-O 2.89Å; H44-A62 PolarHBondContact O-N 2.98Å; H44-P67 HydrophobicContact CB-CB 3.89Å; H44-P67 HydrophobicContact CB-CG 4.44Å; H44-R68 HydrophobicContact CB-CG 4.07Å |
| 45 | L | 98.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 134.2 | 173.2 | -177.9 | 64.1 | 0 | 0 | 0 | 110.9 | L32 V33 S36 W59 V60 L61 | L32-L45 HydrophobicContact CB-CD1 3.83Å; L32-L45 HydrophobicContact CB-CD2 4.08Å; L32-L45 HydrophobicContact CD1-CD1 4.19Å; V33-L45 HydrophobicContact CB-CD2 4.29Å; V33-L45 HydrophobicContact CG2-CD2 3.59Å; S36-L45 PolarHBondContact OG-N 2.87Å; L45-W59 HydrophobicContact CD1-CB 4.13Å; L45-W59 HydrophobicContact CD1-CD2 4.25Å; L45-W59 HydrophobicContact CD1-CE3 3.76Å; L45-W59 HydrophobicContact CD1-CG 4.44Å; L45-W59 HydrophobicContact CD2-CE3 4.11Å; L45-W59 HydrophobicContact CD2-CZ3 4.25Å; L45-W59 HydrophobicContact CG-CE3 3.78Å; L45-W59 HydrophobicContact CG-CZ3 4.08Å; L45-V60 WeakPolarHBondContact CD1-O 3.5Å; L45-L61 HydrophobicContact CB-CD1 3.94Å; L45-L61 HydrophobicContact CD1-CD1 4.27Å |
| 46 | Y | 98.8 | Very high | 96.4 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 164.5 | 172.5 | 64.3 | -77.7 | 0 | 0 | 0 | 110.4 | H44 I48 V60 A62 H122 W185 | H44-Y46 AromaticContact CE1-CD1 3.86Å; H44-Y46 AromaticContact ND1-CD1 3.43Å; H44-Y46 WeakPolarHBondContact ND1-CD1 3.19Å; Y46-I48 HydrophobicContact CD2-CG2 4.09Å; Y46-I48 HydrophobicContact CE2-CG2 3.55Å; Y46-V60 HydrophobicContact CD1-CB 4.37Å; Y46-V60 WeakPolarHBondContact CD1-O 3.36Å; Y46-V60 HydrophobicContact CD2-CB 4.48Å; Y46-V60 HydrophobicContact CE1-CB 3.82Å; Y46-V60 HydrophobicContact CE1-CG1 3.73Å; Y46-V60 HydrophobicContact CE2-CB 3.95Å; Y46-V60 HydrophobicContact CE2-CG1 4.36Å; Y46-V60 HydrophobicContact CE2-CG2 4.36Å; Y46-V60 PolarHBondContact N-O 3.01Å; Y46-V60 PolarHBondContact O-N 3.28Å; Y46-V60 WeakPolarHBondContact OH-CG1 3.25Å; Y46-A62 HydrophobicContact CE1-CB 4.05Å; Y46-H122 AromaticContact CE1-ND1 3.93Å; Y46-H122 AromaticContact CZ-ND1 3.74Å; Y46-H122 PolarHBondContact OH-CE1 3.42Å; Y46-H122 PolarHBondContact OH-ND1 3.11Å; Y46-W185 AromaticContact CZ-NE1 3.97Å; Y46-W185 PolarHBondContact OH-NE1 3.23Å |
| 47 | S | 98.5 | Very high | 96.4 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.2 | 175.2 | 176 | 0 | 0 | 0 | 0 | 110 | G49 Q57 L58 | S47-G49 PolarHBondContact OG-N 3.24Å; S47-G49 PolarHBondContact OG-O 3.01Å; S47-Q57 VanDerWaalsContact CB-OE1 3.24Å; S47-Q57 PolarHBondContact OG-OE1 2.9Å; S47-L58 WeakPolarHBondContact CA-O 3.42Å |
| 48 | I | 98.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -6 | 176.7 | 59.9 | 166.1 | 0 | 0 | 0 | 113.1 | Y46 L58 V60 L124 A181 V182 W185 | Y46-I48 HydrophobicContact CD2-CG2 4.09Å; Y46-I48 HydrophobicContact CE2-CG2 3.55Å; I48-L58 HydrophobicContact CD1-CB 4.23Å; I48-L58 HydrophobicContact CD1-CD2 4.36Å; I48-L58 HydrophobicContact CG1-CB 3.59Å; I48-L58 HydrophobicContact CG1-CD2 4.38Å; I48-L58 WeakPolarHBondContact CG1-O 3.28Å; I48-L58 PolarHBondContact N-O 2.89Å; I48-V60 HydrophobicContact CD1-CG2 4.34Å; I48-V60 HydrophobicContact CG1-CG2 4.26Å; I48-V60 HydrophobicContact CG2-CG2 3.67Å; I48-L124 HydrophobicContact CD1-CD2 3.85Å; I48-A181 HydrophobicContact CD1-CB 4.41Å; I48-A181 HydrophobicContact CG1-CB 4.29Å; I48-A181 WeakPolarHBondContact O-CB 3.42Å; I48-V182 HydrophobicContact CD1-CG2 4.01Å; I48-W185 HydrophobicContact CB-CB 4.03Å; I48-W185 HydrophobicContact CB-CG 4.26Å; I48-W185 HydrophobicContact CD1-CB 4.15Å; I48-W185 HydrophobicContact CD1-CD2 4.17Å; I48-W185 HydrophobicContact CD1-CE3 3.87Å; I48-W185 HydrophobicContact CD1-CG 4.31Å; I48-W185 HydrophobicContact CG2-CB 3.79Å; I48-W185 HydrophobicContact CG2-CD2 3.97Å; I48-W185 HydrophobicContact CG2-CG 3.5Å; I48-W185 VanDerWaalsContact CG2-CG 3.5Å |
| 49 | G | 98.1 | Very high | 96.5 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 24% | 0.237 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | -168.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S47 L58 | S47-G49 PolarHBondContact OG-N 3.24Å; S47-G49 PolarHBondContact OG-O 3.01Å; G49-L58 PolarHBondContact O-N 2.91Å |
| 50 | K | 98.3 | Very high | 96.6 | Very high | 115 Ų | 115 | 43.6 Ų | 43.6 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.9 | 179.7 | -64.2 | -178.9 | 178.6 | -170.3 | 0 | 110.5 | G55 Q56 Q57 A177 | K50-G55 WeakPolarHBondContact CD-O 3.22Å; K50-Q56 CarbonylContact C-O 3.54Å; K50-Q56 WeakPolarHBondContact CA-O 3.3Å; K50-Q57 VanDerWaalsContact CE-NE2 3.28Å; K50-A177 WeakPolarHBondContact O-CB 3.45Å |
| 51 | S | 96.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | trans | -69.6 | 169.8 | 169.3 | 72.4 | 0 | 0 | 0 | 0 | 111.2 | K53 G55 Q56 L58 D130 E178 | S51-K53 PolarHBondContact OG-O 3.34Å; S51-G55 WeakPolarHBondContact O-CA 3.24Å; S51-Q56 PolarHBondContact N-O 2.69Å; S51-Q56 VanDerWaalsContact OG-CB 3.31Å; S51-Q56 WeakPolarHBondContact OG-CB 3.46Å; S51-Q56 PolarHBondContact OG-N 2.82Å; S51-Q56 VanDerWaalsContact OG-N 3.13Å; S51-L58 VanDerWaalsContact N-CD1 3.29Å; S51-D130 VanDerWaalsContact CB-CG 3.46Å; S51-D130 VanDerWaalsContact CB-OD1 3.3Å; S51-D130 WeakPolarHBondContact CB-OD1 3.24Å; S51-D130 WeakPolarHBondContact CB-OD2 3.3Å; S51-D130 VanDerWaalsContact OG-CG 3.23Å; S51-D130 PolarHBondContact OG-OD1 3.35Å; S51-D130 PolarHBondContact OG-OD2 2.76Å; S51-E178 VanDerWaalsContact CA-OE1 3.27Å; S51-E178 WeakPolarHBondContact CA-OE1 3.48Å; S51-E178 WeakPolarHBondContact CB-OE1 3.19Å | ||
| 52 | V | 93.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 35.1 Ų | 35.1 | 30% | 0.303 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -71.4 | -46.8 | -177.3 | 179 | 0 | 0 | 0 | 0 | 111.9 | D130 H148 A177 E178 | V52-D130 PolarHBondContact N-OD2 3.18Å; V52-D130 VanDerWaalsContact N-OD2 3.09Å; V52-H148 HydrophobicContact CB-CB 4.1Å; V52-H148 HydrophobicContact CG1-CB 4.33Å; V52-A177 HydrophobicContact CG2-CB 4.03Å; V52-E178 PolarHBondContact N-OE1 3.39Å; V52-E178 VanDerWaalsContact N-OE1 3.13Å |
| 53 | K | 87.7 | Confident | 96.8 | Very high | 77 Ų | 77 | 35 Ų | 35 | 34% | 0.335 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -83.7 | 120.2 | -174.4 | -163.2 | -174.4 | -170.6 | 170.7 | 0 | 110.4 | S51 G55 D130 E134 H148 | S51-K53 PolarHBondContact OG-O 3.34Å; K53-G55 PolarHBondContact O-N 3.28Å; K53-D130 HydrophobicContact CB-CB 4.05Å; K53-D130 VanDerWaalsContact CB-OD2 3.29Å; K53-D130 WeakPolarHBondContact CB-OD2 3.38Å; K53-D130 PolarHBondContact N-OD2 3.37Å; K53-E134 IonicContact NZ-OE1 3.29Å; K53-E134 PolarHBondContact NZ-OE1 3.06Å; K53-H148 HydrophobicContact CB-CB 3.96Å; K53-H148 WeakPolarHBondContact CD-ND1 3.49Å |
| 54 | A | 85.3 | Confident | 96.7 | Very high | 107 Ų | 107 | 35.1 Ų | 35.1 | 88% | 0.884 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 1.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 55 | G | 93 | Very high | 96.6 | Very high | 23 Ų | 23 | 36.6 Ų | 36.6 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K50 S51 K53 | K50-G55 WeakPolarHBondContact CD-O 3.22Å; S51-G55 WeakPolarHBondContact O-CA 3.24Å; K53-G55 PolarHBondContact O-N 3.28Å |
| 56 | Q | 96.4 | Very high | 96.4 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | trans | -62.7 | 138.2 | 178.5 | -51.5 | -169 | 74.2 | 0 | 0 | 110.3 | N25 K50 S51 P129 D130 D133 | N25-Q56 VanDerWaalsContact CG-OE1 3.32Å; N25-Q56 PolarHBondContact ND2-NE2 2.85Å; N25-Q56 PolarHBondContact ND2-OE1 3.19Å; K50-Q56 CarbonylContact C-O 3.54Å; K50-Q56 WeakPolarHBondContact CA-O 3.3Å; S51-Q56 PolarHBondContact N-O 2.69Å; S51-Q56 VanDerWaalsContact OG-CB 3.31Å; S51-Q56 WeakPolarHBondContact OG-CB 3.46Å; S51-Q56 PolarHBondContact OG-N 2.82Å; S51-Q56 VanDerWaalsContact OG-N 3.13Å; Q56-P129 HydrophobicContact CB-CB 4.29Å; Q56-P129 HydrophobicContact CB-CG 3.99Å; Q56-D130 PolarHBondContact NE2-OD1 2.88Å; Q56-D133 PolarHBondContact NE2-OD2 3.49Å; Q56-D133 PolarHBondContact OE1-OD2 3.44Å | ||
| 57 | Q | 98.1 | Very high | 96.2 | Very high | 59 Ų | 59 | 39.7 Ų | 39.7 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 135.2 | -175.4 | -60.5 | -74.6 | -7.6 | 0 | 0 | 110.7 | S47 K50 W59 | S47-Q57 VanDerWaalsContact CB-OE1 3.24Å; S47-Q57 PolarHBondContact OG-OE1 2.9Å; K50-Q57 VanDerWaalsContact CE-NE2 3.28Å; Q57-W59 VanDerWaalsContact C-N 3.34Å; Q57-W59 HydrophobicContact CB-CD2 3.83Å; Q57-W59 HydrophobicContact CB-CG 4.16Å; Q57-W59 HydrophobicContact CB-CH2 4.39Å; Q57-W59 HydrophobicContact CB-CZ2 3.71Å; Q57-W59 HydrophobicContact CG-CH2 4.23Å; Q57-W59 HydrophobicContact CG-CZ2 3.63Å; Q57-W59 PolarHBondContact O-N 3.01Å; Q57-W59 VanDerWaalsContact O-N 3.12Å |
| 58 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 85.2 | 169.9 | -82.4 | 64.2 | 0 | 0 | 0 | 107.9 | S47 I48 G49 S51 L124 P129 E178 A181 | S47-L58 WeakPolarHBondContact CA-O 3.42Å; I48-L58 HydrophobicContact CD1-CB 4.23Å; I48-L58 HydrophobicContact CD1-CD2 4.36Å; I48-L58 HydrophobicContact CG1-CB 3.59Å; I48-L58 HydrophobicContact CG1-CD2 4.38Å; I48-L58 WeakPolarHBondContact CG1-O 3.28Å; I48-L58 PolarHBondContact N-O 2.89Å; G49-L58 PolarHBondContact O-N 2.91Å; S51-L58 VanDerWaalsContact N-CD1 3.29Å; L58-L124 HydrophobicContact CB-CD1 4.35Å; L58-P129 HydrophobicContact CD1-CG 4.38Å; L58-E178 HydrophobicContact CD2-CB 4.12Å; L58-E178 HydrophobicContact CD2-CG 4.26Å; L58-A181 HydrophobicContact CD2-CB 3.95Å |
| 59 | W | 98.8 | Very high | 96 | Very high | 47 Ų | 47 | 53 Ų | 53 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.7 | -175.5 | -69.5 | 119.4 | 0 | 0 | 0 | 112.7 | E29 L32 L45 Q57 L124 P125 | E29-W59 HydrophobicContact CG-CZ2 4.09Å; E29-W59 VanDerWaalsContact CG-NE1 3.35Å; L32-W59 HydrophobicContact CD1-CB 3.6Å; L32-W59 HydrophobicContact CD1-CG 4.32Å; L45-W59 HydrophobicContact CD1-CB 4.13Å; L45-W59 HydrophobicContact CD1-CD2 4.25Å; L45-W59 HydrophobicContact CD1-CE3 3.76Å; L45-W59 HydrophobicContact CD1-CG 4.44Å; L45-W59 HydrophobicContact CD2-CE3 4.11Å; L45-W59 HydrophobicContact CD2-CZ3 4.25Å; L45-W59 HydrophobicContact CG-CE3 3.78Å; L45-W59 HydrophobicContact CG-CZ3 4.08Å; Q57-W59 VanDerWaalsContact C-N 3.34Å; Q57-W59 HydrophobicContact CB-CD2 3.83Å; Q57-W59 HydrophobicContact CB-CG 4.16Å; Q57-W59 HydrophobicContact CB-CH2 4.39Å; Q57-W59 HydrophobicContact CB-CZ2 3.71Å; Q57-W59 HydrophobicContact CG-CH2 4.23Å; Q57-W59 HydrophobicContact CG-CZ2 3.63Å; Q57-W59 PolarHBondContact O-N 3.01Å; Q57-W59 VanDerWaalsContact O-N 3.12Å; W59-L124 WeakPolarHBondContact O-CD1 3.42Å; W59-P125 WeakPolarHBondContact O-CD 3.48Å |
| 60 | V | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.9 | 171.2 | -176 | 0 | 0 | 0 | 0 | 109.6 | L45 Y46 I48 H122 I123 L124 W185 | L45-V60 WeakPolarHBondContact CD1-O 3.5Å; Y46-V60 HydrophobicContact CD1-CB 4.37Å; Y46-V60 WeakPolarHBondContact CD1-O 3.36Å; Y46-V60 HydrophobicContact CD2-CB 4.48Å; Y46-V60 HydrophobicContact CE1-CB 3.82Å; Y46-V60 HydrophobicContact CE1-CG1 3.73Å; Y46-V60 HydrophobicContact CE2-CB 3.95Å; Y46-V60 HydrophobicContact CE2-CG1 4.36Å; Y46-V60 HydrophobicContact CE2-CG2 4.36Å; Y46-V60 PolarHBondContact N-O 3.01Å; Y46-V60 PolarHBondContact O-N 3.28Å; Y46-V60 WeakPolarHBondContact OH-CG1 3.25Å; I48-V60 HydrophobicContact CD1-CG2 4.34Å; I48-V60 HydrophobicContact CG1-CG2 4.26Å; I48-V60 HydrophobicContact CG2-CG2 3.67Å; V60-H122 HydrophobicContact CG1-CB 3.91Å; V60-I123 WeakPolarHBondContact CA-O 3.28Å; V60-L124 HydrophobicContact CG2-CB 4.08Å; V60-L124 HydrophobicContact CG2-CD1 4.03Å; V60-L124 HydrophobicContact CG2-CG 4.49Å; V60-W185 HydrophobicContact CG1-CH2 4.48Å; V60-W185 HydrophobicContact CG1-CZ2 3.97Å; V60-W185 HydrophobicContact CG2-CH2 4.5Å; V60-W185 HydrophobicContact CG2-CZ2 4.34Å |
| 61 | L | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 113 | 169.2 | -166.2 | 73.8 | 0 | 0 | 0 | 108.7 | L32 V35 T43 L45 L63 I98 I123 | L32-L61 HydrophobicContact CD2-CB 4.23Å; L32-L61 HydrophobicContact CD2-CD2 4.3Å; V35-L61 HydrophobicContact CG1-CD2 3.97Å; T43-L61 HydrophobicContact CG2-CD2 4.33Å; L45-L61 HydrophobicContact CB-CD1 3.94Å; L45-L61 HydrophobicContact CD1-CD1 4.27Å; L61-L63 HydrophobicContact CD2-CD1 4.26Å; L61-L63 HydrophobicContact CD2-CD2 4.41Å; L61-L63 HydrophobicContact CD2-CG 4.32Å; L61-L63 HydrophobicContact CG-CD1 4.34Å; L61-L63 HydrophobicContact CG-CG 4.46Å; L61-L63 WeakPolarHBondContact O-CD1 3.31Å; L61-I98 HydrophobicContact CB-CD1 4.24Å; L61-I98 HydrophobicContact CD2-CB 4.42Å; L61-I98 HydrophobicContact CD2-CD1 3.89Å; L61-I98 HydrophobicContact CD2-CG1 4.04Å; L61-I98 HydrophobicContact CD2-CG2 3.49Å; L61-I98 VanDerWaalsContact CD2-CG2 3.49Å; L61-I123 PolarHBondContact N-O 3Å; L61-I123 PolarHBondContact O-N 3.43Å |
| 62 | A | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T43 H44 Y46 I121 | T43-A62 CarbonylContact C-O 3.29Å; T43-A62 VanDerWaalsContact CA-O 3.25Å; T43-A62 WeakPolarHBondContact CA-O 3.32Å; H44-A62 HydrophobicContact CB-CB 4.4Å; H44-A62 PolarHBondContact N-O 2.89Å; H44-A62 PolarHBondContact O-N 2.98Å; Y46-A62 HydrophobicContact CE1-CB 4.05Å; A62-I121 CarbonylContact C-O 3.52Å; A62-I121 VanDerWaalsContact CA-O 3.3Å; A62-I121 WeakPolarHBondContact CA-O 3.3Å |
| 63 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.5 | 176.6 | -54.8 | 97.6 | 0 | 0 | 0 | 111.2 | I42 T43 L61 I98 L101 V102 L116 R120 I121 I123 | I42-L63 CarbonylContact O-C 3.57Å; I42-L63 WeakPolarHBondContact O-CA 3.46Å; T43-L63 HydrophobicContact CG2-CD2 4.14Å; T43-L63 HydrophobicContact CG2-CG 4.25Å; L61-L63 HydrophobicContact CD2-CD1 4.26Å; L61-L63 HydrophobicContact CD2-CD2 4.41Å; L61-L63 HydrophobicContact CD2-CG 4.32Å; L61-L63 HydrophobicContact CG-CD1 4.34Å; L61-L63 HydrophobicContact CG-CG 4.46Å; L61-L63 WeakPolarHBondContact O-CD1 3.31Å; L63-I98 HydrophobicContact CD1-CG1 4.43Å; L63-L101 HydrophobicContact CD2-CB 4.15Å; L63-L101 HydrophobicContact CD2-CD1 4.27Å; L63-V102 HydrophobicContact CD2-CG2 4.19Å; L63-L116 HydrophobicContact CB-CD2 3.82Å; L63-R120 WeakPolarHBondContact O-CA 3.4Å; L63-I121 HydrophobicContact CB-CB 4.49Å; L63-I121 PolarHBondContact N-O 2.83Å; L63-I121 PolarHBondContact O-N 2.73Å; L63-I123 HydrophobicContact CD1-CD1 3.84Å; L63-I123 HydrophobicContact CD1-CG1 4.14Å |
| 64 | G | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 153.9 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I42 R66 P67 L116 | I42-G64 CarbonylContact C-O 3.5Å; I42-G64 WeakPolarHBondContact CA-O 3.37Å; I42-G64 PolarHBondContact O-N 3.38Å; G64-R66 PolarHBondContact O-N 3.32Å; G64-R66 VanDerWaalsContact O-N 3.1Å; G64-P67 WeakPolarHBondContact O-CD 3.1Å; G64-L116 CarbonylContact C-O 3.56Å; G64-L116 VanDerWaalsContact CA-O 3.24Å; G64-L116 WeakPolarHBondContact CA-O 3.25Å |
| 65 | L | 95.2 | Very high | 97.1 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 39% | 0.393 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -67.8 | -11.3 | -177.6 | -63.2 | -169.2 | 0 | 0 | 0 | 114.4 | I42 Y105 L116 N117 | I42-L65 HydrophobicContact CG2-CD2 3.96Å; L65-Y105 HydrophobicContact CD2-CE2 3.98Å; L65-L116 PolarHBondContact N-O 2.98Å; L65-N117 HydrophobicContact CD1-CB 3.69Å; L65-N117 WeakPolarHBondContact CD1-OD1 3.33Å; L65-N117 HydrophobicContact CG-CB 4.21Å |
| 66 | R | 94.6 | Very high | 97.4 | Very high | 129 Ų | 129 | 41 Ų | 41 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -130.2 | 67 | 171.6 | -72.4 | -175.8 | -88.5 | 171.6 | -4.7 | 109.2 | G64 R68 | G64-R66 PolarHBondContact O-N 3.32Å; G64-R66 VanDerWaalsContact O-N 3.1Å; R66-R68 VanDerWaalsContact C-N 3.31Å; R66-R68 PolarHBondContact O-N 3.08Å |
| 67 | P | 96.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 39 Ų | 39 | 7% | 0.065 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25.5 | -162.9 | 29.8 | -34.3 | 0 | 0 | 0 | 113 | T43 H44 G64 R120 | T43-P67 WeakPolarHBondContact O-CG 3.46Å; H44-P67 HydrophobicContact CB-CB 3.89Å; H44-P67 HydrophobicContact CB-CG 4.44Å; G64-P67 WeakPolarHBondContact O-CD 3.1Å; P67-R120 PolarHBondContact O-NE 3.16Å; P67-R120 PolarHBondContact O-NH2 3.28Å |
| 68 | R | 97.1 | Very high | 97.6 | Very high | 167 Ų | 167 | 36.2 Ų | 36.2 | 63% | 0.63 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -18.1 | -174.5 | -53.5 | -161.6 | 172.1 | -139.5 | -0.8 | 115.2 | H44 R66 | H44-R68 HydrophobicContact CB-CG 4.07Å; R66-R68 VanDerWaalsContact C-N 3.31Å; R66-R68 PolarHBondContact O-N 3.08Å |
| 69 | R | 94.4 | Very high | 97.6 | Very high | 182 Ų | 182 | 36.2 Ų | 36.2 | 69% | 0.687 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -151.1 | 143.8 | -171.9 | 61.8 | -176.7 | 174.6 | -162.9 | -1.9 | 111.1 | ||
| 70 | H | 96.1 | Very high | 97.6 | Very high | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | trans | -52.7 | 148.8 | 169.6 | 179.7 | 63.1 | 0 | 0 | 0 | 111.9 | V74 E76 H356 E358 | H70-V74 PolarHBondContact CE1-O 3.28Å; H70-E76 IonicContact CE1-OE1 3.05Å; H70-E76 IonicContact CG-OE1 3.78Å; H70-E76 IonicContact ND1-OE1 2.95Å; H70-E76 PolarHBondContact ND1-OE1 2.99Å; H70-H356 AromaticContact CD2-CD2 3.72Å; H70-E358 IonicContact CD2-OE2 3.42Å; H70-E358 IonicContact CE1-OE1 3.68Å; H70-E358 IonicContact CE1-OE2 2.71Å; H70-E358 IonicContact NE2-OE1 2.94Å; H70-E358 IonicContact NE2-OE2 3.74Å; H70-E358 PolarHBondContact NE2-OE2 3.17Å | ||
| 71 | A | 96.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.033 | 16% | 0.155 | C | C | . | . | trans | -134 | 114.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G73 V74 | A71-G73 PolarHBondContact O-N 2.79Å; A71-V74 HydrophobicContact CB-CB 3.91Å; A71-V74 HydrophobicContact CB-CG2 3.79Å; A71-V74 VanDerWaalsContact O-CB 3.28Å; A71-V74 WeakPolarHBondContact O-CB 3.39Å; A71-V74 PolarHBondContact O-N 2.88Å | ||
| 72 | V | 97.4 | Very high | 97.6 | Very high | 67 Ų | 67 | 34.1 Ų | 34.1 | 41% | 0.406 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 126.5 | -178.2 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | V74 Q326 H356 E358 | V72-V74 VanDerWaalsContact C-N 3.34Å; V72-Q326 HydrophobicContact CG1-CG 4.25Å; V72-H356 HydrophobicContact CG2-CB 3.97Å; V72-E358 VanDerWaalsContact CA-OE1 3.25Å; V72-E358 WeakPolarHBondContact CA-OE1 3.33Å; V72-E358 HydrophobicContact CG1-CG 3.95Å |
| 73 | G | 96.8 | Very high | 97.6 | Very high | 23 Ų | 23 | 34.2 Ų | 34.2 | 24% | 0.237 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -4.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A71 K324 E358 Y360 | A71-G73 PolarHBondContact O-N 2.79Å; G73-K324 WeakPolarHBondContact O-CE 3.36Å; G73-K324 PolarHBondContact O-NZ 3.29Å; G73-E358 PolarHBondContact N-OE1 3.06Å; G73-Y360 WeakPolarHBondContact CA-OH 3.39Å; G73-Y360 PolarHBondContact N-OH 3.08Å |
| 74 | V | 98.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | trans | -96 | 109.8 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | H70 A71 V72 R120 | H70-V74 PolarHBondContact CE1-O 3.28Å; A71-V74 HydrophobicContact CB-CB 3.91Å; A71-V74 HydrophobicContact CB-CG2 3.79Å; A71-V74 VanDerWaalsContact O-CB 3.28Å; A71-V74 WeakPolarHBondContact O-CB 3.39Å; A71-V74 PolarHBondContact O-N 2.88Å; V72-V74 VanDerWaalsContact C-N 3.34Å; V74-R120 HydrophobicContact CG1-CB 4.22Å | ||
| 75 | P | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -66.5 | 146.7 | 179.2 | 28.6 | -36.7 | 0 | 0 | 0 | 112 | S118 R120 V192 V319 Y360 | P75-S118 WeakPolarHBondContact CD-O 3.34Å; P75-R120 PolarHBondContact O-N 3.5Å; P75-R120 VanDerWaalsContact O-N 3.12Å; P75-V192 HydrophobicContact CB-CB 4.33Å; P75-V192 HydrophobicContact CB-CG2 3.88Å; P75-V319 HydrophobicContact CB-CG2 3.68Å; P75-V319 HydrophobicContact CG-CG1 3.9Å; P75-V319 HydrophobicContact CG-CG2 4Å; P75-Y360 HydrophobicContact CB-CD1 4.07Å; P75-Y360 HydrophobicContact CB-CE1 3.8Å | ||
| 76 | E | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.3 | 172 | -53.2 | -66.8 | 162.9 | 0 | 0 | 109 | H70 R120 H122 E189 T190 F191 V192 | H70-E76 IonicContact CE1-OE1 3.05Å; H70-E76 IonicContact CG-OE1 3.78Å; H70-E76 IonicContact ND1-OE1 2.95Å; H70-E76 PolarHBondContact ND1-OE1 2.99Å; E76-R120 IonicContact OE1-NH1 2.76Å; E76-R120 PolarHBondContact OE1-NH1 3.26Å; E76-R120 VanDerWaalsContact OE2-CB 3.24Å; E76-R120 WeakPolarHBondContact OE2-CB 3.46Å; E76-R120 VanDerWaalsContact OE2-CD 3.3Å; E76-R120 WeakPolarHBondContact OE2-CD 3.39Å; E76-R120 VanDerWaalsContact OE2-CG 3.22Å; E76-R120 WeakPolarHBondContact OE2-CG 3.48Å; E76-R120 IonicContact OE2-CZ 3.06Å; E76-R120 IonicContact OE2-NE 3.28Å; E76-R120 IonicContact OE2-NH1 3.35Å; E76-R120 PolarHBondContact OE2-NH1 2.89Å; E76-H122 IonicContact OE2-CD2 3.35Å; E76-H122 IonicContact OE2-NE2 3.74Å; E76-H122 PolarHBondContact OE2-NE2 3.33Å; E76-E189 HydrophobicContact CG-CB 4.42Å; E76-T190 WeakPolarHBondContact CB-O 3.32Å; E76-F191 HydrophobicContact CB-CD1 3.86Å; E76-F191 HydrophobicContact CB-CE1 4.15Å; E76-V192 PolarHBondContact O-N 3.31Å |
| 77 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.5 | 174.6 | 173.6 | -82.2 | 0 | 0 | 0 | 109.4 | Y79 T119 R120 I121 H122 L193 Y315 I316 V319 | F77-Y79 HydrophobicContact CE1-CD1 4.26Å; F77-Y79 AromaticContact CE1-CD2 3.43Å; F77-Y79 HydrophobicContact CE1-CD2 3.43Å; F77-Y79 VanDerWaalsContact CE1-CD2 3.43Å; F77-Y79 HydrophobicContact CE1-CE1 4.48Å; F77-Y79 AromaticContact CE1-CE2 3.68Å; F77-Y79 HydrophobicContact CE1-CE2 3.68Å; F77-Y79 AromaticContact CE1-CG 3.73Å; F77-Y79 HydrophobicContact CE1-CG 3.73Å; F77-Y79 HydrophobicContact CZ-CD1 4.05Å; F77-Y79 AromaticContact CZ-CD2 3.79Å; F77-Y79 HydrophobicContact CZ-CD2 3.79Å; F77-Y79 AromaticContact CZ-CE1 3.91Å; F77-Y79 HydrophobicContact CZ-CE1 3.91Å; F77-Y79 AromaticContact CZ-CE2 3.6Å; F77-Y79 HydrophobicContact CZ-CE2 3.6Å; F77-Y79 AromaticContact CZ-CG 3.99Å; F77-Y79 HydrophobicContact CZ-CG 3.99Å; F77-Y79 AromaticContact CZ-CZ 3.66Å; F77-T119 HydrophobicContact CB-CG2 3.75Å; F77-R120 PolarHBondContact N-O 3.38Å; F77-I121 HydrophobicContact CD1-CG2 3.91Å; F77-I121 HydrophobicContact CE1-CG2 4.47Å; F77-H122 PolarHBondContact O-N 3.02Å; F77-L193 WeakPolarHBondContact CA-O 3.48Å; F77-L193 HydrophobicContact CD2-CB 3.94Å; F77-L193 HydrophobicContact CD2-CD2 4.05Å; F77-L193 HydrophobicContact CD2-CG 4.02Å; F77-L193 WeakPolarHBondContact CD2-O 3.22Å; F77-L193 HydrophobicContact CE2-CB 4.32Å; F77-L193 HydrophobicContact CE2-CD2 3.91Å; F77-L193 HydrophobicContact CE2-CG 3.9Å; F77-Y315 AromaticContact CE2-CD1 3.75Å; F77-Y315 HydrophobicContact CE2-CD1 3.75Å; F77-Y315 AromaticContact CE2-CE1 3.81Å; F77-Y315 HydrophobicContact CE2-CE1 3.81Å; F77-Y315 AromaticContact CZ-CD1 3.87Å; F77-Y315 HydrophobicContact CZ-CD1 3.87Å; F77-Y315 HydrophobicContact CZ-CE1 4.08Å; F77-I316 HydrophobicContact CD1-CG1 4.09Å; F77-I316 HydrophobicContact CD1-CG2 4.2Å; F77-I316 HydrophobicContact CD2-CG2 4.29Å; F77-I316 HydrophobicContact CE1-CD1 4.48Å; F77-I316 HydrophobicContact CE1-CG1 3.64Å; F77-I316 HydrophobicContact CE2-CB 4.38Å; F77-I316 HydrophobicContact CE2-CG1 4.14Å; F77-I316 HydrophobicContact CG-CG2 4.08Å; F77-I316 HydrophobicContact CZ-CB 4.4Å; F77-I316 HydrophobicContact CZ-CG1 3.68Å; F77-V319 HydrophobicContact CB-CG2 4.33Å; F77-V319 HydrophobicContact CD2-CB 4.33Å |
| 78 | K | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148 | 169 | 63.9 | 178.1 | 174.2 | 67.4 | 0 | 116.3 | H122 W185 L186 F191 L193 S194 A195 N277 E285 | K78-H122 CarbonylContact C-O 3.45Å; K78-H122 WeakPolarHBondContact CA-O 3.31Å; K78-H122 HydrophobicContact CB-CB 4.06Å; K78-W185 HydrophobicContact CB-CH2 3.73Å; K78-W185 HydrophobicContact CB-CZ2 4.12Å; K78-W185 HydrophobicContact CD-CE3 4.38Å; K78-W185 HydrophobicContact CD-CH2 3.48Å; K78-W185 VanDerWaalsContact CD-CH2 3.48Å; K78-W185 HydrophobicContact CD-CZ2 4.02Å; K78-W185 HydrophobicContact CD-CZ3 3.68Å; K78-W185 HydrophobicContact CG-CH2 4.21Å; K78-L186 HydrophobicContact CD-CD2 4.45Å; K78-F191 HydrophobicContact CB-CD1 3.84Å; K78-F191 HydrophobicContact CB-CE1 3.69Å; K78-F191 HydrophobicContact CB-CZ 4.38Å; K78-F191 HydrophobicContact CD-CD1 3.76Å; K78-F191 HydrophobicContact CD-CD2 3.91Å; K78-F191 HydrophobicContact CD-CE1 3.9Å; K78-F191 HydrophobicContact CD-CE2 4.01Å; K78-F191 HydrophobicContact CD-CG 3.78Å; K78-F191 HydrophobicContact CD-CZ 4.04Å; K78-F191 HydrophobicContact CG-CD1 3.75Å; K78-F191 HydrophobicContact CG-CE1 4.03Å; K78-F191 HydrophobicContact CG-CG 4.16Å; K78-L193 PolarHBondContact N-O 2.85Å; K78-L193 VanDerWaalsContact N-O 3.08Å; K78-S194 WeakPolarHBondContact CG-OG 3.34Å; K78-S194 VanDerWaalsContact NZ-CB 3.29Å; K78-S194 PolarHBondContact NZ-OG 3.44Å; K78-S194 WeakPolarHBondContact O-CA 3.33Å; K78-S194 PolarHBondContact O-OG 3Å; K78-A195 PolarHBondContact O-N 2.87Å; K78-N277 VanDerWaalsContact CE-OD1 3.32Å; K78-N277 WeakPolarHBondContact CE-OD1 3.44Å; K78-N277 PolarHBondContact NZ-OD1 2.02Å; K78-E285 IonicContact NZ-OE2 3.97Å; K78-E285 PolarHBondContact NZ-OE2 3.41Å |
| 79 | Y | 99 | Very high | 98 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.5 | 161.7 | -87.2 | -51.5 | 0 | 0 | 0 | 110.4 | F77 L94 L97 H122 L124 A195 L197 L288 L312 Y315 I316 | F77-Y79 HydrophobicContact CE1-CD1 4.26Å; F77-Y79 AromaticContact CE1-CD2 3.43Å; F77-Y79 HydrophobicContact CE1-CD2 3.43Å; F77-Y79 VanDerWaalsContact CE1-CD2 3.43Å; F77-Y79 HydrophobicContact CE1-CE1 4.48Å; F77-Y79 AromaticContact CE1-CE2 3.68Å; F77-Y79 HydrophobicContact CE1-CE2 3.68Å; F77-Y79 AromaticContact CE1-CG 3.73Å; F77-Y79 HydrophobicContact CE1-CG 3.73Å; F77-Y79 HydrophobicContact CZ-CD1 4.05Å; F77-Y79 AromaticContact CZ-CD2 3.79Å; F77-Y79 HydrophobicContact CZ-CD2 3.79Å; F77-Y79 AromaticContact CZ-CE1 3.91Å; F77-Y79 HydrophobicContact CZ-CE1 3.91Å; F77-Y79 AromaticContact CZ-CE2 3.6Å; F77-Y79 HydrophobicContact CZ-CE2 3.6Å; F77-Y79 AromaticContact CZ-CG 3.99Å; F77-Y79 HydrophobicContact CZ-CG 3.99Å; F77-Y79 AromaticContact CZ-CZ 3.66Å; Y79-L94 HydrophobicContact CD2-CD2 3.9Å; Y79-L94 HydrophobicContact CG-CD2 3.8Å; Y79-L97 HydrophobicContact CD2-CD2 3.78Å; Y79-L97 HydrophobicContact CE2-CD2 3.94Å; Y79-H122 PolarHBondContact N-O 2.83Å; Y79-L124 PolarHBondContact O-N 3.05Å; Y79-A195 WeakPolarHBondContact CA-O 3.29Å; Y79-A195 HydrophobicContact CD1-CB 3.81Å; Y79-A195 WeakPolarHBondContact CD1-O 3.45Å; Y79-A195 HydrophobicContact CE1-CB 3.47Å; Y79-A195 VanDerWaalsContact CE1-CB 3.47Å; Y79-L197 HydrophobicContact CD1-CD1 3.43Å; Y79-L197 VanDerWaalsContact CD1-CD1 3.43Å; Y79-L197 HydrophobicContact CE1-CD1 3.82Å; Y79-L197 HydrophobicContact CG-CD1 4.29Å; Y79-L288 HydrophobicContact CE1-CD1 4.18Å; Y79-L312 HydrophobicContact CE1-CD2 4.13Å; Y79-L312 HydrophobicContact CE2-CB 4.39Å; Y79-L312 HydrophobicContact CE2-CD2 3.79Å; Y79-L312 WeakPolarHBondContact OH-CA 3.25Å; Y79-L312 PolarHBondContact OH-O 3.32Å; Y79-Y315 HydrophobicContact CE1-CD1 4.02Å; Y79-Y315 HydrophobicContact CE1-CE1 4.35Å; Y79-Y315 AromaticContact CZ-CD1 3.83Å; Y79-Y315 WeakPolarHBondContact OH-CB 3.37Å; Y79-Y315 WeakPolarHBondContact OH-CD1 3.39Å; Y79-I316 HydrophobicContact CD2-CG1 4.45Å; Y79-I316 HydrophobicContact CE2-CD1 4Å; Y79-I316 HydrophobicContact CE2-CG1 3.74Å |
| 80 | V | 99 | Very high | 98.2 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.006 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137.9 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | L124 M127 W185 A195 N196 L197 M273 | V80-L124 HydrophobicContact CG1-CD2 3.93Å; V80-L124 HydrophobicContact CG1-CG 4.33Å; V80-L124 HydrophobicContact CG2-CB 4.35Å; V80-L124 HydrophobicContact CG2-CD2 4.31Å; V80-M127 HydrophobicContact CG1-CB 3.99Å; V80-M127 HydrophobicContact CG1-SD 4.28Å; V80-W185 HydrophobicContact CG2-CH2 4.33Å; V80-W185 HydrophobicContact CG2-CZ3 3.83Å; V80-A195 PolarHBondContact N-O 3.31Å; V80-N196 HydrophobicContact CB-CB 4.38Å; V80-N196 CarbonylContact O-C 3.54Å; V80-N196 VanDerWaalsContact O-CA 3.24Å; V80-N196 WeakPolarHBondContact O-CA 3.39Å; V80-L197 PolarHBondContact O-N 3.16Å; V80-M273 HydrophobicContact CB-CE 4.16Å; V80-M273 HydrophobicContact CG1-CE 3.96Å |
| 81 | A | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.008 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 165.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M83 G90 L94 L124 T126 M127 L197 | A81-M83 PolarHBondContact O-N 3.26Å; A81-G90 VanDerWaalsContact CB-C 3.41Å; A81-L94 HydrophobicContact CB-CD1 3.46Å; A81-L94 VanDerWaalsContact CB-CD1 3.46Å; A81-L94 HydrophobicContact CB-CG 4.09Å; A81-L124 PolarHBondContact N-O 3.26Å; A81-T126 WeakPolarHBondContact O-CA 3.4Å; A81-M127 PolarHBondContact O-N 3.01Å; A81-L197 HydrophobicContact CB-CB 3.91Å; A81-L197 HydrophobicContact CB-CD2 4.46Å |
| 82 | N | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | 56.7 | 43.4 | 167.5 | -173.7 | -127.9 | 0 | 0 | 0 | 111.4 | H84 G85 E87 R91 T126 N128 | N82-H84 VanDerWaalsContact C-N 3.27Å; N82-H84 PolarHBondContact ND2-O 3.37Å; N82-G85 VanDerWaalsContact ND2-C 3.34Å; N82-G85 WeakPolarHBondContact ND2-CA 3.41Å; N82-G85 PolarHBondContact ND2-O 3.07Å; N82-E87 PolarHBondContact ND2-O 3.09Å; N82-E87 VanDerWaalsContact ND2-O 3.14Å; N82-R91 HydrophobicContact CB-CB 3.91Å; N82-R91 PolarHBondContact OD1-NH1 3.04Å; N82-T126 PolarHBondContact OD1-OG1 2.82Å; N82-N128 WeakPolarHBondContact O-CB 3.26Å; N82-N128 PolarHBondContact O-N 3.28Å | ||
| 83 | M | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 3 Ų | 3 | 1% | 0.01 | 2% | 0.022 | C | C | . | . | S | Bend | trans | -73.1 | -26.2 | 167 | 74.3 | 178.1 | -53.5 | 0 | 0 | 111.5 | A81 M127 N128 L153 N154 F157 H198 M273 | A81-M83 PolarHBondContact O-N 3.26Å; M83-M127 HydrophobicContact CB-CB 4.02Å; M83-M127 HydrophobicContact CB-CG 4.19Å; M83-M127 HydrophobicContact CB-SD 3.64Å; M83-M127 HydrophobicContact CE-CE 4.48Å; M83-M127 HydrophobicContact CE-SD 4.14Å; M83-N128 WeakPolarHBondContact O-CB 3.46Å; M83-N128 PolarHBondContact O-ND2 2.99Å; M83-L153 HydrophobicContact CE-CB 4.09Å; M83-N154 VanDerWaalsContact CE-CA 3.49Å; M83-N154 HydrophobicContact CE-CB 3.39Å; M83-N154 HydrophobicContact SD-CB 3.78Å; M83-F157 HydrophobicContact CE-CE2 4.35Å; M83-H198 WeakPolarHBondContact CG-CE1 3.41Å; M83-H198 WeakPolarHBondContact CG-NE2 3.23Å; M83-H198 PolarHBondContact SD-CE1 3.42Å; M83-H198 PolarHBondContact SD-NE2 3.04Å; M83-M273 HydrophobicContact CE-CB 4.2Å; M83-M273 HydrophobicContact CE-CE 4.29Å; M83-M273 HydrophobicContact SD-CE 3.94Å |
| 84 | H | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 2 Ų | 2 | 1% | 0.014 | 1% | 0.011 | C | C | . | . | S | Bend | trans | -96.2 | 121.9 | 156.6 | -58.8 | 136.8 | 0 | 0 | 0 | 108.8 | N82 N86 E87 R145 D152 H198 | N82-H84 VanDerWaalsContact C-N 3.27Å; N82-H84 PolarHBondContact ND2-O 3.37Å; H84-N86 VanDerWaalsContact C-N 3.26Å; H84-N86 PolarHBondContact O-N 3.43Å; H84-E87 HydrophobicContact CB-CB 4.09Å; H84-E87 VanDerWaalsContact CB-CD 3.46Å; H84-E87 HydrophobicContact CB-CG 3.89Å; H84-E87 WeakPolarHBondContact CB-OE1 3.45Å; H84-E87 IonicContact CE1-OE1 2.71Å; H84-E87 IonicContact CG-OE1 2.63Å; H84-E87 IonicContact CG-OE2 3.28Å; H84-E87 IonicContact ND1-OE1 3.07Å; H84-E87 PolarHBondContact ND1-OE1 2.95Å; H84-E87 IonicContact ND1-OE2 3.79Å; H84-E87 PolarHBondContact ND1-OE2 2.73Å; H84-E87 PolarHBondContact O-N 3.37Å; H84-E87 VanDerWaalsContact O-N 3.09Å; H84-R145 VanDerWaalsContact CA-O 3.28Å; H84-R145 WeakPolarHBondContact CA-O 3.47Å; H84-R145 HydrophobicContact CB-CG 3.85Å; H84-R145 PolarHBondContact CE1-NH1 3.03Å; H84-R145 PolarHBondContact CE1-NH2 3.47Å; H84-R145 PolarHBondContact ND1-NH1 3.3Å; H84-R145 VanDerWaalsContact NE2-CZ 3.34Å; H84-R145 PolarHBondContact NE2-NH2 3.33Å; H84-R145 VanDerWaalsContact NE2-NH2 3.17Å; H84-D152 IonicContact CD2-OD1 2.81Å; H84-D152 IonicContact NE2-OD1 2.94Å; H84-D152 PolarHBondContact NE2-OD1 3.01Å; H84-D152 VanDerWaalsContact NE2-OD1 3.11Å; H84-D152 IonicContact NE2-OD2 3.46Å; H84-H198 AromaticContact CE1-CE1 3.31Å; H84-H198 PolarHBondContact CE1-CE1 3.36Å; H84-H198 AromaticContact CE1-ND1 3.57Å; H84-H198 AromaticContact ND1-CE1 3.33Å; H84-H198 PolarHBondContact ND1-CE1 2.96Å; H84-H198 VanDerWaalsContact ND1-CE1 3.33Å; H84-H198 AromaticContact ND1-ND1 3.26Å; H84-H198 PolarHBondContact ND1-ND1 3.32Å |
| 85 | G | 97.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.006 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N82 V88 F132 G144 R145 | N82-G85 VanDerWaalsContact ND2-C 3.34Å; N82-G85 WeakPolarHBondContact ND2-CA 3.41Å; N82-G85 PolarHBondContact ND2-O 3.07Å; G85-V88 WeakPolarHBondContact O-CG1 3.35Å; G85-F132 WeakPolarHBondContact O-CA 3.12Å; G85-G144 CarbonylContact C-O 3.11Å; G85-G144 WeakPolarHBondContact CA-O 3.34Å; G85-G144 PolarHBondContact N-O 3.28Å; G85-R145 PolarHBondContact N-O 3.03Å |
| 86 | N | 97.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.8 | 177.4 | 70.8 | -29.1 | 0 | 0 | 0 | 115 | H84 V88 A135 M141 Q143 G144 R145 K294 | H84-N86 VanDerWaalsContact C-N 3.26Å; H84-N86 PolarHBondContact O-N 3.43Å; N86-V88 PolarHBondContact O-N 2.95Å; N86-A135 HydrophobicContact CB-CB 3.8Å; N86-M141 PolarHBondContact ND2-O 3.04Å; N86-Q143 VanDerWaalsContact CB-O 3.25Å; N86-Q143 WeakPolarHBondContact CB-O 3.3Å; N86-G144 PolarHBondContact N-O 3.48Å; N86-R145 VanDerWaalsContact OD1-CA 3.24Å; N86-R145 WeakPolarHBondContact OD1-CA 3.27Å; N86-R145 WeakPolarHBondContact OD1-CB 3.16Å; N86-K294 CarbonylContact O-C 3.54Å; N86-K294 WeakPolarHBondContact O-CB 3.27Å; N86-K294 VanDerWaalsContact O-O 3.1Å |
| 87 | E | 98.2 | Very high | 98.6 | Very high | 4 Ų | 4 | 1.9 Ų | 1.9 | 2% | 0.019 | 1% | 0.009 | C | C | . | . | trans | -97.1 | 85.2 | 174.1 | -67.4 | 170 | -153.6 | 0 | 0 | 108.1 | N82 H84 R145 H198 G199 K294 | N82-E87 PolarHBondContact ND2-O 3.09Å; N82-E87 VanDerWaalsContact ND2-O 3.14Å; H84-E87 HydrophobicContact CB-CB 4.09Å; H84-E87 VanDerWaalsContact CB-CD 3.46Å; H84-E87 HydrophobicContact CB-CG 3.89Å; H84-E87 WeakPolarHBondContact CB-OE1 3.45Å; H84-E87 IonicContact CE1-OE1 2.71Å; H84-E87 IonicContact CG-OE1 2.63Å; H84-E87 IonicContact CG-OE2 3.28Å; H84-E87 IonicContact ND1-OE1 3.07Å; H84-E87 PolarHBondContact ND1-OE1 2.95Å; H84-E87 IonicContact ND1-OE2 3.79Å; H84-E87 PolarHBondContact ND1-OE2 2.73Å; H84-E87 PolarHBondContact O-N 3.37Å; H84-E87 VanDerWaalsContact O-N 3.09Å; E87-R145 IonicContact OE1-CZ 2.72Å; E87-R145 IonicContact OE1-NH1 2.91Å; E87-R145 PolarHBondContact OE1-NH1 2.79Å; E87-H198 WeakPolarHBondContact OE2-CB 3.31Å; E87-H198 IonicContact OE2-CE1 2.88Å; E87-H198 IonicContact OE2-CG 3.06Å; E87-H198 IonicContact OE2-ND1 3.55Å; E87-H198 PolarHBondContact OE2-ND1 3.27Å; E87-G199 VanDerWaalsContact CG-O 3.3Å; E87-G199 WeakPolarHBondContact CG-O 3.39Å; E87-G199 PolarHBondContact OE2-N 3.05Å; E87-K294 HydrophobicContact CG-CB 4.2Å; E87-K294 HydrophobicContact CG-CD 4.15Å; E87-K294 HydrophobicContact CG-CG 4.07Å | ||
| 88 | V | 97.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -99.3 | -14.5 | -158 | -62.5 | 0 | 0 | 0 | 0 | 114.9 | Y22 G85 N86 G90 R91 V92 F132 K294 F295 | Y22-V88 HydrophobicContact CD1-CB 4.4Å; Y22-V88 HydrophobicContact CD1-CG2 4.2Å; Y22-V88 HydrophobicContact CE1-CB 3.98Å; Y22-V88 HydrophobicContact CE1-CG2 3.39Å; G85-V88 WeakPolarHBondContact O-CG1 3.35Å; N86-V88 PolarHBondContact O-N 2.95Å; V88-G90 VanDerWaalsContact C-N 3.34Å; V88-G90 PolarHBondContact O-N 3.44Å; V88-R91 WeakPolarHBondContact O-CB 3.46Å; V88-R91 PolarHBondContact O-N 3.31Å; V88-V92 PolarHBondContact O-N 3.29Å; V88-F132 HydrophobicContact CG1-CD2 3.74Å; V88-F132 HydrophobicContact CG1-CE2 3.79Å; V88-K294 PolarHBondContact N-O 3.49Å; V88-K294 VanDerWaalsContact N-O 3.09Å; V88-F295 HydrophobicContact CB-CD2 4.34Å; V88-F295 HydrophobicContact CB-CE2 4.31Å; V88-F295 HydrophobicContact CG1-CD2 3.56Å; V88-F295 HydrophobicContact CG1-CE2 3.38Å; V88-F295 HydrophobicContact CG1-CG 4.26Å; V88-F295 HydrophobicContact CG1-CZ 3.94Å; V88-F295 HydrophobicContact CG2-CB 4.18Å; V88-F295 HydrophobicContact CG2-CD1 3.69Å; V88-F295 HydrophobicContact CG2-CD2 3.79Å; V88-F295 HydrophobicContact CG2-CE1 3.97Å; V88-F295 HydrophobicContact CG2-CE2 4.07Å; V88-F295 HydrophobicContact CG2-CG 3.59Å; V88-F295 HydrophobicContact CG2-CZ 4.14Å | ||
| 89 | L | 98.4 | Very high | 98.6 | Very high | 2 Ų | 2 | 3.1 Ų | 3.1 | 1% | 0.01 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | -176.9 | -179.6 | 56.7 | 0 | 0 | 0 | 111.1 | R91 V92 L93 L290 S291 L301 L304 | L89-R91 VanDerWaalsContact C-N 3.26Å; L89-R91 PolarHBondContact O-N 3.48Å; L89-V92 PolarHBondContact O-N 3.05Å; L89-L93 HydrophobicContact CD1-CD1 4.47Å; L89-L93 HydrophobicContact CD1-CD2 3.89Å; L89-L93 HydrophobicContact CD1-CG 3.96Å; L89-L93 HydrophobicContact CG-CD1 4.11Å; L89-L93 HydrophobicContact CG-CD2 4.41Å; L89-L93 HydrophobicContact CG-CG 4.01Å; L89-L93 WeakPolarHBondContact O-CG 3.26Å; L89-L93 PolarHBondContact O-N 2.9Å; L89-L290 HydrophobicContact CD2-CB 3.8Å; L89-L290 HydrophobicContact CG-CB 4.42Å; L89-S291 WeakPolarHBondContact CD2-OG 3.43Å; L89-L301 HydrophobicContact CD1-CD2 4.05Å; L89-L304 HydrophobicContact CD1-CB 3.84Å; L89-L304 HydrophobicContact CD1-CD1 3.9Å; L89-L304 HydrophobicContact CD1-CG 4.48Å; L89-L304 HydrophobicContact CD2-CB 4.18Å; L89-L304 HydrophobicContact CD2-CD1 4.08Å; L89-L304 HydrophobicContact CD2-CD2 4.25Å; L89-L304 HydrophobicContact CD2-CG 4.4Å |
| 90 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -56.3 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A81 V88 V92 L93 L94 | A81-G90 VanDerWaalsContact CB-C 3.41Å; V88-G90 VanDerWaalsContact C-N 3.34Å; V88-G90 PolarHBondContact O-N 3.44Å; G90-V92 VanDerWaalsContact C-N 3.32Å; G90-V92 PolarHBondContact O-N 2.67Å; G90-L93 PolarHBondContact O-N 3.03Å; G90-L94 WeakPolarHBondContact O-CB 3.5Å; G90-L94 WeakPolarHBondContact O-CG 3.38Å; G90-L94 PolarHBondContact O-N 3.07Å |
| 91 | R | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 4.1 Ų | 4.1 | 1% | 0.011 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -56.9 | -46.1 | 175.4 | -178.1 | -176.6 | 173.6 | 104.2 | 1.4 | 111.3 | H23 D24 N25 I28 N82 V88 L89 L95 P125 T126 | H23-R91 PolarHBondContact O-NE 2.95Å; H23-R91 PolarHBondContact O-NH2 3.46Å; D24-R91 VanDerWaalsContact C-NH2 3.29Å; D24-R91 PolarHBondContact O-NH2 3.35Å; N25-R91 VanDerWaalsContact OD1-CZ 3.27Å; N25-R91 PolarHBondContact OD1-NH1 3.37Å; N25-R91 PolarHBondContact OD1-NH2 2.74Å; I28-R91 HydrophobicContact CD1-CG 3.75Å; N82-R91 HydrophobicContact CB-CB 3.91Å; N82-R91 PolarHBondContact OD1-NH1 3.04Å; V88-R91 WeakPolarHBondContact O-CB 3.46Å; V88-R91 PolarHBondContact O-N 3.31Å; L89-R91 VanDerWaalsContact C-N 3.26Å; L89-R91 PolarHBondContact O-N 3.48Å; R91-L95 WeakPolarHBondContact O-CG 3.45Å; R91-L95 PolarHBondContact O-N 2.88Å; R91-P125 WeakPolarHBondContact CA-O 3.22Å; R91-T126 PolarHBondContact NH1-OG1 3.05Å; R91-T126 VanDerWaalsContact NH1-OG1 3.08Å |
| 92 | V | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 4.4 Ų | 4.4 | 3% | 0.03 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -69.6 | -46.6 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | Y22 V88 L89 G90 L94 L95 Q96 L301 | Y22-V92 HydrophobicContact CD1-CG2 3.86Å; Y22-V92 HydrophobicContact CE1-CG2 3.92Å; V88-V92 PolarHBondContact O-N 3.29Å; L89-V92 PolarHBondContact O-N 3.05Å; G90-V92 VanDerWaalsContact C-N 3.32Å; G90-V92 PolarHBondContact O-N 2.67Å; V92-L94 VanDerWaalsContact C-N 3.28Å; V92-L94 PolarHBondContact O-N 2.99Å; V92-L95 PolarHBondContact O-N 3.24Å; V92-Q96 HydrophobicContact CG1-CG 4.33Å; V92-Q96 WeakPolarHBondContact O-CG 3.48Å; V92-Q96 PolarHBondContact O-N 2.82Å; V92-L301 HydrophobicContact CG1-CD1 4.34Å; V92-L301 HydrophobicContact CG1-CD2 4.38Å; V92-L301 HydrophobicContact CG2-CD1 4.39Å; V92-L301 HydrophobicContact CG2-CD2 4.34Å |
| 93 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | -177.9 | -62.6 | -169.7 | 0 | 0 | 0 | 112.2 | L89 G90 Q96 L97 L290 W305 N308 L312 | L89-L93 HydrophobicContact CD1-CD1 4.47Å; L89-L93 HydrophobicContact CD1-CD2 3.89Å; L89-L93 HydrophobicContact CD1-CG 3.96Å; L89-L93 HydrophobicContact CG-CD1 4.11Å; L89-L93 HydrophobicContact CG-CD2 4.41Å; L89-L93 HydrophobicContact CG-CG 4.01Å; L89-L93 WeakPolarHBondContact O-CG 3.26Å; L89-L93 PolarHBondContact O-N 2.9Å; G90-L93 PolarHBondContact O-N 3.03Å; L93-Q96 PolarHBondContact O-N 3.37Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 PolarHBondContact O-N 3.28Å; L93-L290 HydrophobicContact CD1-CD1 3.68Å; L93-W305 HydrophobicContact CD2-CB 4.07Å; L93-W305 HydrophobicContact CD2-CE3 3.96Å; L93-W305 WeakPolarHBondContact O-CZ3 3.39Å; L93-N308 HydrophobicContact CD1-CB 3.65Å; L93-L312 HydrophobicContact CB-CD1 4.21Å; L93-L312 HydrophobicContact CD1-CD1 4.39Å |
| 94 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69.3 | -34.7 | 179.3 | -70.9 | -167.8 | 0 | 0 | 0 | 112.9 | Y79 A81 G90 V92 L97 I98 I123 L197 | Y79-L94 HydrophobicContact CD2-CD2 3.9Å; Y79-L94 HydrophobicContact CG-CD2 3.8Å; A81-L94 HydrophobicContact CB-CD1 3.46Å; A81-L94 VanDerWaalsContact CB-CD1 3.46Å; A81-L94 HydrophobicContact CB-CG 4.09Å; G90-L94 WeakPolarHBondContact O-CB 3.5Å; G90-L94 WeakPolarHBondContact O-CG 3.38Å; G90-L94 PolarHBondContact O-N 3.07Å; V92-L94 VanDerWaalsContact C-N 3.28Å; V92-L94 PolarHBondContact O-N 2.99Å; L94-L97 HydrophobicContact CD2-CD2 4.19Å; L94-L97 PolarHBondContact O-N 3.16Å; L94-I98 WeakPolarHBondContact O-CG1 3.19Å; L94-I98 PolarHBondContact O-N 3.15Å; L94-I123 HydrophobicContact CB-CG2 3.66Å; L94-I123 HydrophobicContact CD1-CG2 3.95Å; L94-I123 HydrophobicContact CD2-CG2 4.31Å; L94-I123 HydrophobicContact CG-CG2 4.16Å; L94-L197 HydrophobicContact CD1-CD2 4.43Å; L94-L197 HydrophobicContact CD2-CD2 3.82Å; L94-L197 HydrophobicContact CG-CD2 3.95Å |
| 95 | L | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 2% | 0.016 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 171.7 | -58.7 | 172 | 0 | 0 | 0 | 111.6 | L18 H23 I28 Y31 L32 R91 V92 L97 I98 A99 P125 | L18-L95 HydrophobicContact CD2-CB 3.44Å; L18-L95 VanDerWaalsContact CD2-CB 3.44Å; H23-L95 HydrophobicContact CB-CD1 4.47Å; I28-L95 HydrophobicContact CD1-CD1 3.71Å; I28-L95 HydrophobicContact CD1-CD2 4.26Å; I28-L95 HydrophobicContact CD1-CG 4.35Å; I28-L95 HydrophobicContact CG1-CD1 3.81Å; I28-L95 HydrophobicContact CG1-CD2 4.35Å; I28-L95 HydrophobicContact CG2-CD2 4.16Å; Y31-L95 HydrophobicContact CD1-CD2 3.89Å; Y31-L95 HydrophobicContact CE1-CB 4.37Å; Y31-L95 HydrophobicContact CE1-CD2 4.01Å; Y31-L95 PolarHBondContact OH-O 2.9Å; L32-L95 HydrophobicContact CD2-CD2 4.33Å; R91-L95 WeakPolarHBondContact O-CG 3.45Å; R91-L95 PolarHBondContact O-N 2.88Å; V92-L95 PolarHBondContact O-N 3.24Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L97 PolarHBondContact O-N 2.89Å; L95-I98 WeakPolarHBondContact O-CB 3.49Å; L95-I98 PolarHBondContact O-N 2.94Å; L95-A99 PolarHBondContact O-N 3Å; L95-P125 HydrophobicContact CD2-CB 4.01Å; L95-P125 HydrophobicContact CD2-CG 3.89Å; L95-P125 HydrophobicContact CG-CB 4.41Å |
| 96 | Q | 98.7 | Very high | 98.3 | Very high | 15 Ų | 15 | 16.1 Ų | 16.1 | 7% | 0.07 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.4 | -35 | 176.6 | -66.7 | -67.4 | -17.8 | 0 | 0 | 112 | L18 E19 F20 V92 L93 A99 E100 W305 | L18-Q96 HydrophobicContact CD2-CG 4.31Å; L18-Q96 PolarHBondContact O-NE2 3.11Å; E19-Q96 PolarHBondContact O-NE2 3.47Å; F20-Q96 HydrophobicContact CD1-CG 4.3Å; F20-Q96 HydrophobicContact CE1-CG 3.67Å; F20-Q96 HydrophobicContact CZ-CG 4.21Å; V92-Q96 HydrophobicContact CG1-CG 4.33Å; V92-Q96 WeakPolarHBondContact O-CG 3.48Å; V92-Q96 PolarHBondContact O-N 2.82Å; L93-Q96 PolarHBondContact O-N 3.37Å; Q96-A99 PolarHBondContact O-N 2.86Å; Q96-E100 WeakPolarHBondContact O-CB 3.46Å; Q96-E100 PolarHBondContact O-N 2.73Å; Q96-W305 HydrophobicContact CB-CD2 3.78Å; Q96-W305 HydrophobicContact CB-CE3 3.58Å; Q96-W305 HydrophobicContact CB-CG 4.47Å; Q96-W305 HydrophobicContact CB-CH2 4.12Å; Q96-W305 HydrophobicContact CB-CZ2 4.25Å; Q96-W305 HydrophobicContact CB-CZ3 3.77Å |
| 97 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 172.3 | 179.7 | 63.4 | 0 | 0 | 0 | 112.3 | Y79 L93 L94 L95 A99 E100 L101 I123 W305 L312 L313 I316 | Y79-L97 HydrophobicContact CD2-CD2 3.78Å; Y79-L97 HydrophobicContact CE2-CD2 3.94Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 PolarHBondContact O-N 3.28Å; L94-L97 HydrophobicContact CD2-CD2 4.19Å; L94-L97 PolarHBondContact O-N 3.16Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L97 PolarHBondContact O-N 2.89Å; L97-A99 VanDerWaalsContact C-N 3.34Å; L97-E100 PolarHBondContact O-N 2.91Å; L97-L101 HydrophobicContact CD1-CD1 4.24Å; L97-L101 HydrophobicContact CD1-CG 4.26Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 WeakPolarHBondContact O-CG 3.2Å; L97-L101 PolarHBondContact O-N 2.86Å; L97-I123 HydrophobicContact CD2-CD1 3.96Å; L97-I123 HydrophobicContact CG-CD1 4.18Å; L97-W305 HydrophobicContact CB-CH2 4.16Å; L97-W305 HydrophobicContact CB-CZ3 4.17Å; L97-W305 HydrophobicContact CD1-CH2 4.49Å; L97-L312 HydrophobicContact CD2-CB 4.49Å; L97-L313 HydrophobicContact CD1-CD2 3.83Å; L97-L313 HydrophobicContact CD1-CG 4.37Å; L97-I316 HydrophobicContact CD2-CD1 4.18Å |
| 98 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 172.2 | -70.7 | 166.2 | 0 | 0 | 0 | 110 | Y31 L32 V35 L61 L63 L94 L95 E100 L101 V102 I123 | Y31-I98 HydrophobicContact CE1-CG2 4.18Å; L32-I98 HydrophobicContact CD2-CD1 3.65Å; V35-I98 HydrophobicContact CG1-CG2 3.93Å; L61-I98 HydrophobicContact CB-CD1 4.24Å; L61-I98 HydrophobicContact CD2-CB 4.42Å; L61-I98 HydrophobicContact CD2-CD1 3.89Å; L61-I98 HydrophobicContact CD2-CG1 4.04Å; L61-I98 HydrophobicContact CD2-CG2 3.49Å; L61-I98 VanDerWaalsContact CD2-CG2 3.49Å; L63-I98 HydrophobicContact CD1-CG1 4.43Å; L94-I98 WeakPolarHBondContact O-CG1 3.19Å; L94-I98 PolarHBondContact O-N 3.15Å; L95-I98 WeakPolarHBondContact O-CB 3.49Å; L95-I98 PolarHBondContact O-N 2.94Å; I98-E100 VanDerWaalsContact C-N 3.3Å; I98-E100 PolarHBondContact O-N 2.67Å; I98-L101 PolarHBondContact O-N 2.83Å; I98-V102 WeakPolarHBondContact O-CB 3.44Å; I98-V102 WeakPolarHBondContact O-CG2 3.31Å; I98-V102 PolarHBondContact O-N 2.93Å; I98-I123 HydrophobicContact CD1-CB 4.21Å; I98-I123 HydrophobicContact CD1-CD1 4.46Å; I98-I123 HydrophobicContact CD1-CG2 3.86Å; I98-I123 HydrophobicContact CG1-CB 4.31Å; I98-I123 HydrophobicContact CG1-CD1 3.64Å; I98-I123 HydrophobicContact CG1-CG2 4.14Å |
| 99 | A | 98.2 | Very high | 98.2 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 22% | 0.223 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L18 Y31 L95 Q96 L97 R103 | L18-A99 HydrophobicContact CB-CB 4.39Å; Y31-A99 PolarHBondContact OH-N 2.85Å; L95-A99 PolarHBondContact O-N 3Å; Q96-A99 PolarHBondContact O-N 2.86Å; L97-A99 VanDerWaalsContact C-N 3.34Å; A99-R103 WeakPolarHBondContact O-CB 3.35Å; A99-R103 PolarHBondContact O-N 2.77Å |
| 100 | E | 98.1 | Very high | 98.1 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -42.2 | -179.6 | -177.7 | 62 | -166.1 | 0 | 0 | 113 | Q96 L97 I98 R103 G104 W111 W305 K309 | Q96-E100 WeakPolarHBondContact O-CB 3.46Å; Q96-E100 PolarHBondContact O-N 2.73Å; L97-E100 PolarHBondContact O-N 2.91Å; I98-E100 VanDerWaalsContact C-N 3.3Å; I98-E100 PolarHBondContact O-N 2.67Å; E100-R103 IonicContact OE1-CZ 3.93Å; E100-R103 IonicContact OE1-NE 3.33Å; E100-R103 IonicContact OE1-NH2 3.74Å; E100-R103 PolarHBondContact OE1-NH2 3.05Å; E100-R103 IonicContact OE2-CZ 3.85Å; E100-R103 IonicContact OE2-NE 2.79Å; E100-R103 PolarHBondContact OE2-NE 3.47Å; E100-R103 IonicContact OE2-NH2 3.74Å; E100-R103 PolarHBondContact OE2-NH2 2.95Å; E100-G104 PolarHBondContact O-N 2.86Å; E100-W111 HydrophobicContact CG-CH2 4.02Å; E100-W111 HydrophobicContact CG-CZ2 4.44Å; E100-W305 HydrophobicContact CB-CH2 4.24Å; E100-W305 HydrophobicContact CB-CZ2 3.99Å; E100-W305 HydrophobicContact CG-CZ2 4.28Å; E100-K309 VanDerWaalsContact CD-CE 3.42Å; E100-K309 VanDerWaalsContact OE1-CE 3.23Å; E100-K309 WeakPolarHBondContact OE1-CE 3.46Å; E100-K309 IonicContact OE1-NZ 3.65Å; E100-K309 PolarHBondContact OE1-NZ 2.76Å; E100-K309 IonicContact OE2-NZ 3.87Å; E100-K309 PolarHBondContact OE2-NZ 3.11Å |
| 101 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 176.7 | -72.3 | 167.5 | 0 | 0 | 0 | 111.2 | L63 L97 I98 G104 Y105 W111 S112 L115 I121 I123 L313 | L63-L101 HydrophobicContact CD2-CB 4.15Å; L63-L101 HydrophobicContact CD2-CD1 4.27Å; L97-L101 HydrophobicContact CD1-CD1 4.24Å; L97-L101 HydrophobicContact CD1-CG 4.26Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 WeakPolarHBondContact O-CG 3.2Å; L97-L101 PolarHBondContact O-N 2.86Å; I98-L101 PolarHBondContact O-N 2.83Å; L101-G104 PolarHBondContact O-N 3.39Å; L101-Y105 PolarHBondContact O-N 2.81Å; L101-W111 HydrophobicContact CD2-CZ3 4.06Å; L101-S112 PolarHBondContact O-OG 2.7Å; L101-L115 HydrophobicContact CD2-CD2 3.96Å; L101-I121 HydrophobicContact CD1-CD1 4.12Å; L101-I121 HydrophobicContact CD2-CD1 4.37Å; L101-I123 HydrophobicContact CD1-CD1 4.35Å; L101-L313 HydrophobicContact CD2-CD2 4.19Å |
| 102 | V | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 177.7 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | V35 N39 I42 T43 L63 I98 Y105 R106 | V35-V102 HydrophobicContact CG1-CG2 4.04Å; N39-V102 WeakPolarHBondContact OD1-CG1 3.37Å; I42-V102 HydrophobicContact CD1-CG2 4.23Å; T43-V102 HydrophobicContact CG2-CG2 4.42Å; L63-V102 HydrophobicContact CD2-CG2 4.19Å; I98-V102 WeakPolarHBondContact O-CB 3.44Å; I98-V102 WeakPolarHBondContact O-CG2 3.31Å; I98-V102 PolarHBondContact O-N 2.93Å; V102-Y105 PolarHBondContact O-N 3.13Å; V102-R106 WeakPolarHBondContact O-CG 3.32Å; V102-R106 PolarHBondContact O-N 2.77Å |
| 103 | R | 97.4 | Very high | 98 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.3 | -50.5 | 175.3 | -174.5 | -169.3 | 69.8 | 75.2 | -2 | 110.6 | A99 E100 Y105 R106 D107 | A99-R103 WeakPolarHBondContact O-CB 3.35Å; A99-R103 PolarHBondContact O-N 2.77Å; E100-R103 IonicContact OE1-CZ 3.93Å; E100-R103 IonicContact OE1-NE 3.33Å; E100-R103 IonicContact OE1-NH2 3.74Å; E100-R103 PolarHBondContact OE1-NH2 3.05Å; E100-R103 IonicContact OE2-CZ 3.85Å; E100-R103 IonicContact OE2-NE 2.79Å; E100-R103 PolarHBondContact OE2-NE 3.47Å; E100-R103 IonicContact OE2-NH2 3.74Å; E100-R103 PolarHBondContact OE2-NH2 2.95Å; R103-Y105 VanDerWaalsContact C-N 3.27Å; R103-Y105 PolarHBondContact O-N 3.42Å; R103-R106 PolarHBondContact O-N 3.12Å; R103-R106 VanDerWaalsContact O-N 3.16Å; R103-D107 WeakPolarHBondContact CG-OD2 3.34Å; R103-D107 IonicContact CZ-OD2 3.8Å; R103-D107 IonicContact NH1-OD2 3.97Å; R103-D107 PolarHBondContact NH1-OD2 2.82Å; R103-D107 WeakPolarHBondContact O-CB 3.46Å; R103-D107 VanDerWaalsContact O-CG 3.25Å; R103-D107 PolarHBondContact O-N 2.89Å |
| 104 | G | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -37.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | E100 L101 N108 E109 | E100-G104 PolarHBondContact O-N 2.86Å; L101-G104 PolarHBondContact O-N 3.39Å; G104-N108 PolarHBondContact O-N 2.99Å; G104-E109 WeakPolarHBondContact O-CB 3.19Å; G104-E109 PolarHBondContact O-N 3.34Å |
| 105 | Y | 97.7 | Very high | 97.9 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 24% | 0.239 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -49 | 174.5 | 178 | -99.4 | 0 | 0 | 0 | 112 | I42 L65 L101 V102 R103 D107 N108 S112 L113 L116 | I42-Y105 HydrophobicContact CD1-CD1 3.57Å; I42-Y105 HydrophobicContact CD1-CD2 4.36Å; I42-Y105 HydrophobicContact CD1-CE1 4.24Å; I42-Y105 HydrophobicContact CD1-CG 3.64Å; I42-Y105 HydrophobicContact CG1-CD1 3.99Å; I42-Y105 HydrophobicContact CG1-CE1 4.16Å; I42-Y105 HydrophobicContact CG1-CG 4.35Å; I42-Y105 HydrophobicContact CG2-CD1 4.04Å; I42-Y105 HydrophobicContact CG2-CD2 3.72Å; I42-Y105 HydrophobicContact CG2-CE1 3.71Å; I42-Y105 HydrophobicContact CG2-CE2 3.39Å; I42-Y105 HydrophobicContact CG2-CG 4.05Å; L65-Y105 HydrophobicContact CD2-CE2 3.98Å; L101-Y105 PolarHBondContact O-N 2.81Å; V102-Y105 PolarHBondContact O-N 3.13Å; R103-Y105 VanDerWaalsContact C-N 3.27Å; R103-Y105 PolarHBondContact O-N 3.42Å; Y105-D107 VanDerWaalsContact C-N 3.28Å; Y105-D107 PolarHBondContact O-N 3.12Å; Y105-N108 PolarHBondContact O-N 2.98Å; Y105-N108 VanDerWaalsContact O-N 3.09Å; Y105-S112 PolarHBondContact N-OG 3.32Å; Y105-L113 HydrophobicContact CD2-CD2 3.56Å; Y105-L113 HydrophobicContact CE2-CD2 3.84Å; Y105-L116 HydrophobicContact CD2-CD1 4.08Å; Y105-L116 HydrophobicContact CG-CD1 4.29Å |
| 106 | R | 96.5 | Very high | 97.8 | Very high | 98 Ų | 98 | 43.4 Ų | 43.4 | 37% | 0.37 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -36.3 | 179.8 | -72.9 | 174.5 | 173.3 | -179.6 | -9.4 | 112.6 | D38 N39 V102 R103 N108 | D38-R106 PolarHBondContact O-NH2 3.11Å; N39-R106 VanDerWaalsContact CG-NH2 3.27Å; N39-R106 PolarHBondContact ND2-NH2 2.88Å; N39-R106 PolarHBondContact OD1-NE 3.3Å; N39-R106 PolarHBondContact OD1-NH2 2.86Å; V102-R106 WeakPolarHBondContact O-CG 3.32Å; V102-R106 PolarHBondContact O-N 2.77Å; R103-R106 PolarHBondContact O-N 3.12Å; R103-R106 VanDerWaalsContact O-N 3.16Å; R106-N108 PolarHBondContact O-N 3.43Å |
| 107 | D | 97.5 | Very high | 97.8 | Very high | 87 Ų | 87 | 47.5 Ų | 47.5 | 47% | 0.465 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 0.2 | 179.3 | -65 | -11.1 | 0 | 0 | 0 | 112.4 | R103 Y105 E109 | R103-D107 WeakPolarHBondContact CG-OD2 3.34Å; R103-D107 IonicContact CZ-OD2 3.8Å; R103-D107 IonicContact NH1-OD2 3.97Å; R103-D107 PolarHBondContact NH1-OD2 2.82Å; R103-D107 WeakPolarHBondContact O-CB 3.46Å; R103-D107 VanDerWaalsContact O-CG 3.25Å; R103-D107 PolarHBondContact O-N 2.89Å; Y105-D107 VanDerWaalsContact C-N 3.28Å; Y105-D107 PolarHBondContact O-N 3.12Å; D107-E109 HydrophobicContact CB-CG 3.97Å; D107-E109 PolarHBondContact O-N 3.49Å |
| 108 | N | 97.3 | Very high | 97.8 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 64% | 0.642 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 35.9 | -174.1 | -64.7 | -61.3 | 0 | 0 | 0 | 113.7 | G104 Y105 R106 T110 L113 | G104-N108 PolarHBondContact O-N 2.99Å; Y105-N108 PolarHBondContact O-N 2.98Å; Y105-N108 VanDerWaalsContact O-N 3.09Å; R106-N108 PolarHBondContact O-N 3.43Å; N108-T110 PolarHBondContact O-N 3.38Å; N108-L113 HydrophobicContact CB-CD1 4.37Å |
| 109 | E | 98 | Very high | 97.8 | Very high | 78 Ų | 78 | 48.3 Ų | 48.3 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | trans | -68.8 | 126.7 | 177.4 | -69.3 | -71.6 | 173.8 | 0 | 0 | 110.7 | G104 D107 W111 S112 L113 | G104-E109 WeakPolarHBondContact O-CB 3.19Å; G104-E109 PolarHBondContact O-N 3.34Å; D107-E109 HydrophobicContact CB-CG 3.97Å; D107-E109 PolarHBondContact O-N 3.49Å; E109-W111 VanDerWaalsContact C-N 3.3Å; E109-W111 PolarHBondContact O-N 2.86Å; E109-S112 PolarHBondContact O-N 2.94Å; E109-S112 VanDerWaalsContact O-N 3.11Å; E109-L113 WeakPolarHBondContact O-CG 3.22Å; E109-L113 PolarHBondContact O-N 3.27Å | ||
| 110 | T | 97.4 | Very high | 97.8 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 58% | 0.577 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -57.9 | -42 | -172.7 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | N108 S112 Q114 | N108-T110 PolarHBondContact O-N 3.38Å; T110-S112 VanDerWaalsContact C-N 3.35Å; T110-S112 PolarHBondContact O-N 3.39Å; T110-Q114 HydrophobicContact CG2-CG 4.31Å; T110-Q114 WeakPolarHBondContact O-CB 3.35Å; T110-Q114 VanDerWaalsContact O-CG 3.25Å; T110-Q114 WeakPolarHBondContact O-CG 3.19Å; T110-Q114 PolarHBondContact O-N 2.97Å |
| 111 | W | 96.4 | Very high | 97.9 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 25% | 0.25 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | -179.4 | 67.5 | -94.5 | 0 | 0 | 0 | 112.4 | E100 L101 E109 L115 L313 | E100-W111 HydrophobicContact CG-CH2 4.02Å; E100-W111 HydrophobicContact CG-CZ2 4.44Å; L101-W111 HydrophobicContact CD2-CZ3 4.06Å; E109-W111 VanDerWaalsContact C-N 3.3Å; E109-W111 PolarHBondContact O-N 2.86Å; W111-L115 WeakPolarHBondContact O-CB 3.42Å; W111-L115 PolarHBondContact O-N 2.92Å; W111-L115 VanDerWaalsContact O-N 3.09Å; W111-L313 HydrophobicContact CE3-CD2 4.48Å; W111-L313 HydrophobicContact CH2-CD1 4.46Å; W111-L313 HydrophobicContact CZ3-CD1 4.14Å; W111-L313 HydrophobicContact CZ3-CD2 3.8Å |
| 112 | S | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.3 | -44.6 | -179 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | L101 Y105 E109 T110 Q114 L115 L116 | L101-S112 PolarHBondContact O-OG 2.7Å; Y105-S112 PolarHBondContact N-OG 3.32Å; E109-S112 PolarHBondContact O-N 2.94Å; E109-S112 VanDerWaalsContact O-N 3.11Å; T110-S112 VanDerWaalsContact C-N 3.35Å; T110-S112 PolarHBondContact O-N 3.39Å; S112-Q114 VanDerWaalsContact C-N 3.33Å; S112-Q114 PolarHBondContact O-N 3.43Å; S112-L115 PolarHBondContact O-N 2.8Å; S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 2.91Å |
| 113 | L | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 46 Ų | 46 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 175.6 | -66.8 | 178.4 | 0 | 0 | 0 | 111.9 | Y105 N108 E109 N117 | Y105-L113 HydrophobicContact CD2-CD2 3.56Å; Y105-L113 HydrophobicContact CE2-CD2 3.84Å; N108-L113 HydrophobicContact CB-CD1 4.37Å; E109-L113 WeakPolarHBondContact O-CG 3.22Å; E109-L113 PolarHBondContact O-N 3.27Å; L113-N117 WeakPolarHBondContact O-CB 3.38Å; L113-N117 PolarHBondContact O-N 2.79Å |
| 114 | Q | 97.6 | Very high | 98 | Very high | 85 Ų | 85 | 41.6 Ų | 41.6 | 40% | 0.397 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -49 | 176.2 | -76.3 | 176.8 | -36.7 | 0 | 0 | 111.2 | T110 S112 N117 S118 Y393 | T110-Q114 HydrophobicContact CG2-CG 4.31Å; T110-Q114 WeakPolarHBondContact O-CB 3.35Å; T110-Q114 VanDerWaalsContact O-CG 3.25Å; T110-Q114 WeakPolarHBondContact O-CG 3.19Å; T110-Q114 PolarHBondContact O-N 2.97Å; S112-Q114 VanDerWaalsContact C-N 3.33Å; S112-Q114 PolarHBondContact O-N 3.43Å; Q114-N117 PolarHBondContact O-N 3.36Å; Q114-S118 WeakPolarHBondContact O-CB 3.39Å; Q114-S118 PolarHBondContact O-N 3.3Å; Q114-S118 PolarHBondContact O-OG 3.5Å; Q114-Y393 HydrophobicContact CB-CD1 4Å; Q114-Y393 HydrophobicContact CB-CD2 3.92Å; Q114-Y393 HydrophobicContact CB-CE1 3.83Å; Q114-Y393 HydrophobicContact CB-CE2 3.76Å; Q114-Y393 HydrophobicContact CB-CG 4.03Å; Q114-Y393 HydrophobicContact CG-CD2 4.41Å; Q114-Y393 HydrophobicContact CG-CE2 4.26Å |
| 115 | L | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | -177.8 | -165.8 | 67.4 | 0 | 0 | 0 | 112.8 | L101 W111 S112 N117 S118 T119 I121 L313 I316 Q317 Y393 | L101-L115 HydrophobicContact CD2-CD2 3.96Å; W111-L115 WeakPolarHBondContact O-CB 3.42Å; W111-L115 PolarHBondContact O-N 2.92Å; W111-L115 VanDerWaalsContact O-N 3.09Å; S112-L115 PolarHBondContact O-N 2.8Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 2.97Å; L115-S118 PolarHBondContact O-N 2.85Å; L115-S118 PolarHBondContact O-OG 2.86Å; L115-T119 WeakPolarHBondContact O-CB 3.47Å; L115-T119 PolarHBondContact O-N 3.13Å; L115-I121 HydrophobicContact CD2-CD1 4.06Å; L115-I121 HydrophobicContact CG-CD1 4.1Å; L115-L313 HydrophobicContact CD2-CD2 4.27Å; L115-I316 HydrophobicContact CD1-CB 4.48Å; L115-I316 HydrophobicContact CD1-CG2 3.86Å; L115-I316 HydrophobicContact CD2-CB 4.49Å; L115-I316 HydrophobicContact CD2-CD1 4.47Å; L115-I316 HydrophobicContact CD2-CG2 4.15Å; L115-I316 HydrophobicContact CG-CG2 4.25Å; L115-Q317 HydrophobicContact CD1-CG 3.89Å; L115-Y393 HydrophobicContact CB-CD1 4.48Å; L115-Y393 HydrophobicContact CB-CE1 4.02Å; L115-Y393 HydrophobicContact CD1-CD1 4.13Å; L115-Y393 HydrophobicContact CD1-CE1 3.91Å |
| 116 | L | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.8 | -22.6 | 179.7 | -66.6 | 176.1 | 0 | 0 | 0 | 113.2 | I42 L63 G64 L65 Y105 S112 I121 | I42-L116 HydrophobicContact CD1-CD1 4.24Å; L63-L116 HydrophobicContact CB-CD2 3.82Å; G64-L116 CarbonylContact C-O 3.56Å; G64-L116 VanDerWaalsContact CA-O 3.24Å; G64-L116 WeakPolarHBondContact CA-O 3.25Å; L65-L116 PolarHBondContact N-O 2.98Å; Y105-L116 HydrophobicContact CD2-CD1 4.08Å; Y105-L116 HydrophobicContact CG-CD1 4.29Å; S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 2.91Å; L116-I121 HydrophobicContact CD2-CD1 4.17Å |
| 117 | N | 98 | Very high | 98.2 | Very high | 101 Ų | 101 | 34.5 Ų | 34.5 | 54% | 0.54 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -79.4 | -37 | 172.7 | -178.4 | 40.2 | 0 | 0 | 0 | 111.9 | L65 L113 Q114 L115 | L65-N117 HydrophobicContact CD1-CB 3.69Å; L65-N117 WeakPolarHBondContact CD1-OD1 3.33Å; L65-N117 HydrophobicContact CG-CB 4.21Å; L113-N117 WeakPolarHBondContact O-CB 3.38Å; L113-N117 PolarHBondContact O-N 2.79Å; Q114-N117 PolarHBondContact O-N 3.36Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 2.97Å |
| 118 | S | 98.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 11% | 0.112 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -89.6 | -20.6 | -173.7 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | P75 Q114 L115 H320 Y393 | P75-S118 WeakPolarHBondContact CD-O 3.34Å; Q114-S118 WeakPolarHBondContact O-CB 3.39Å; Q114-S118 PolarHBondContact O-N 3.3Å; Q114-S118 PolarHBondContact O-OG 3.5Å; L115-S118 PolarHBondContact O-N 2.85Å; L115-S118 PolarHBondContact O-OG 2.86Å; S118-H320 PolarHBondContact O-CE1 3.14Å; S118-H320 PolarHBondContact OG-CE1 3.45Å; S118-H320 PolarHBondContact OG-NE2 2.95Å; S118-Y393 VanDerWaalsContact CB-O 3.25Å; S118-Y393 WeakPolarHBondContact CB-O 3.1Å |
| 119 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -136.6 | 145.5 | -172.2 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | F77 L115 I121 I316 V319 H320 | F77-T119 HydrophobicContact CB-CG2 3.75Å; L115-T119 WeakPolarHBondContact O-CB 3.47Å; L115-T119 PolarHBondContact O-N 3.13Å; T119-I121 HydrophobicContact CG2-CG1 3.78Å; T119-I316 HydrophobicContact CG2-CG2 4.4Å; T119-V319 HydrophobicContact CG2-CG1 3.92Å; T119-H320 PolarHBondContact OG1-CE1 3.31Å; T119-H320 PolarHBondContact OG1-NE2 3.41Å | ||
| 120 | R | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 21 Ų | 21 | 3% | 0.03 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 113.9 | 164.7 | -176.9 | 168.6 | 171.4 | -111.4 | 6 | 108.8 | L63 P67 V74 P75 E76 F77 H122 E189 | L63-R120 WeakPolarHBondContact O-CA 3.4Å; P67-R120 PolarHBondContact O-NE 3.16Å; P67-R120 PolarHBondContact O-NH2 3.28Å; V74-R120 HydrophobicContact CG1-CB 4.22Å; P75-R120 PolarHBondContact O-N 3.5Å; P75-R120 VanDerWaalsContact O-N 3.12Å; E76-R120 IonicContact OE1-NH1 2.76Å; E76-R120 PolarHBondContact OE1-NH1 3.26Å; E76-R120 VanDerWaalsContact OE2-CB 3.24Å; E76-R120 WeakPolarHBondContact OE2-CB 3.46Å; E76-R120 VanDerWaalsContact OE2-CD 3.3Å; E76-R120 WeakPolarHBondContact OE2-CD 3.39Å; E76-R120 VanDerWaalsContact OE2-CG 3.22Å; E76-R120 WeakPolarHBondContact OE2-CG 3.48Å; E76-R120 IonicContact OE2-CZ 3.06Å; E76-R120 IonicContact OE2-NE 3.28Å; E76-R120 IonicContact OE2-NH1 3.35Å; E76-R120 PolarHBondContact OE2-NH1 2.89Å; F77-R120 PolarHBondContact N-O 3.38Å; R120-H122 PolarHBondContact NH1-CE1 3.22Å; R120-H122 VanDerWaalsContact NH1-CE1 3.34Å; R120-H122 PolarHBondContact NH1-NE2 3.5Å; R120-H122 VanDerWaalsContact NH1-NE2 3.18Å; R120-E189 IonicContact CZ-OE1 3.88Å; R120-E189 IonicContact NH1-OE1 3.24Å; R120-E189 PolarHBondContact NH1-OE1 3.47Å; R120-E189 IonicContact NH1-OE2 3.95Å; R120-E189 PolarHBondContact NH1-OE2 2.92Å; R120-E189 IonicContact NH2-OE1 2.89Å; R120-E189 PolarHBondContact NH2-OE1 3.05Å |
| 121 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.9 | -169 | -55.5 | 170.1 | 0 | 0 | 0 | 108.1 | A62 L63 F77 L101 L115 L116 T119 I123 I316 | A62-I121 CarbonylContact C-O 3.52Å; A62-I121 VanDerWaalsContact CA-O 3.3Å; A62-I121 WeakPolarHBondContact CA-O 3.3Å; L63-I121 HydrophobicContact CB-CB 4.49Å; L63-I121 PolarHBondContact N-O 2.83Å; L63-I121 PolarHBondContact O-N 2.73Å; F77-I121 HydrophobicContact CD1-CG2 3.91Å; F77-I121 HydrophobicContact CE1-CG2 4.47Å; L101-I121 HydrophobicContact CD1-CD1 4.12Å; L101-I121 HydrophobicContact CD2-CD1 4.37Å; L115-I121 HydrophobicContact CD2-CD1 4.06Å; L115-I121 HydrophobicContact CG-CD1 4.1Å; L116-I121 HydrophobicContact CD2-CD1 4.17Å; T119-I121 HydrophobicContact CG2-CG1 3.78Å; I121-I123 HydrophobicContact CG2-CD1 4.22Å; I121-I123 HydrophobicContact CG2-CG1 4.02Å; I121-I316 HydrophobicContact CD1-CD1 4.42Å; I121-I316 HydrophobicContact CD1-CG2 3.99Å; I121-I316 HydrophobicContact CG1-CG2 4.07Å |
| 122 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128 | 176.7 | -63.4 | -111.5 | 0 | 0 | 0 | 111.1 | Y46 V60 E76 F77 K78 Y79 R120 W185 F191 | Y46-H122 AromaticContact CE1-ND1 3.93Å; Y46-H122 AromaticContact CZ-ND1 3.74Å; Y46-H122 PolarHBondContact OH-CE1 3.42Å; Y46-H122 PolarHBondContact OH-ND1 3.11Å; V60-H122 HydrophobicContact CG1-CB 3.91Å; E76-H122 IonicContact OE2-CD2 3.35Å; E76-H122 IonicContact OE2-NE2 3.74Å; E76-H122 PolarHBondContact OE2-NE2 3.33Å; F77-H122 PolarHBondContact O-N 3.02Å; K78-H122 CarbonylContact C-O 3.45Å; K78-H122 WeakPolarHBondContact CA-O 3.31Å; K78-H122 HydrophobicContact CB-CB 4.06Å; Y79-H122 PolarHBondContact N-O 2.83Å; R120-H122 PolarHBondContact NH1-CE1 3.22Å; R120-H122 VanDerWaalsContact NH1-CE1 3.34Å; R120-H122 PolarHBondContact NH1-NE2 3.5Å; R120-H122 VanDerWaalsContact NH1-NE2 3.18Å; H122-W185 HydrophobicContact CB-CH2 4.29Å; H122-W185 HydrophobicContact CB-CZ2 3.64Å; H122-F191 HydrophobicContact CB-CE1 4.07Å; H122-F191 HydrophobicContact CB-CZ 4.39Å; H122-F191 AromaticContact CD2-CE1 3.65Å; H122-F191 AromaticContact CG-CE1 3.81Å |
| 123 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.4 | -176.9 | -61.6 | -177.9 | 0 | 0 | 0 | 109 | V60 L61 L63 L94 L97 I98 L101 I121 P125 | V60-I123 WeakPolarHBondContact CA-O 3.28Å; L61-I123 PolarHBondContact N-O 3Å; L61-I123 PolarHBondContact O-N 3.43Å; L63-I123 HydrophobicContact CD1-CD1 3.84Å; L63-I123 HydrophobicContact CD1-CG1 4.14Å; L94-I123 HydrophobicContact CB-CG2 3.66Å; L94-I123 HydrophobicContact CD1-CG2 3.95Å; L94-I123 HydrophobicContact CD2-CG2 4.31Å; L94-I123 HydrophobicContact CG-CG2 4.16Å; L97-I123 HydrophobicContact CD2-CD1 3.96Å; L97-I123 HydrophobicContact CG-CD1 4.18Å; I98-I123 HydrophobicContact CD1-CB 4.21Å; I98-I123 HydrophobicContact CD1-CD1 4.46Å; I98-I123 HydrophobicContact CD1-CG2 3.86Å; I98-I123 HydrophobicContact CG1-CB 4.31Å; I98-I123 HydrophobicContact CG1-CD1 3.64Å; I98-I123 HydrophobicContact CG1-CG2 4.14Å; L101-I123 HydrophobicContact CD1-CD1 4.35Å; I121-I123 HydrophobicContact CG2-CD1 4.22Å; I121-I123 HydrophobicContact CG2-CG1 4.02Å; I123-P125 HydrophobicContact CG2-CG 4.25Å; I123-P125 WeakPolarHBondContact O-CD 3.39Å |
| 124 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 95.2 | 170.8 | 176.1 | 55.7 | 0 | 0 | 0 | 108.7 | I48 L58 W59 V60 Y79 V80 A81 T126 M127 V182 W185 | I48-L124 HydrophobicContact CD1-CD2 3.85Å; L58-L124 HydrophobicContact CB-CD1 4.35Å; W59-L124 WeakPolarHBondContact O-CD1 3.42Å; V60-L124 HydrophobicContact CG2-CB 4.08Å; V60-L124 HydrophobicContact CG2-CD1 4.03Å; V60-L124 HydrophobicContact CG2-CG 4.49Å; Y79-L124 PolarHBondContact O-N 3.05Å; V80-L124 HydrophobicContact CG1-CD2 3.93Å; V80-L124 HydrophobicContact CG1-CG 4.33Å; V80-L124 HydrophobicContact CG2-CB 4.35Å; V80-L124 HydrophobicContact CG2-CD2 4.31Å; A81-L124 PolarHBondContact N-O 3.26Å; L124-T126 VanDerWaalsContact C-N 3.28Å; L124-T126 VanDerWaalsContact CD1-O 3.32Å; L124-T126 WeakPolarHBondContact CD1-O 3.5Å; L124-T126 PolarHBondContact O-N 2.61Å; L124-M127 HydrophobicContact CD2-CB 4.14Å; L124-V182 HydrophobicContact CD2-CG2 4.34Å; L124-W185 HydrophobicContact CB-CH2 4.42Å; L124-W185 HydrophobicContact CB-CZ3 4.41Å; L124-W185 HydrophobicContact CD2-CZ3 4.15Å |
| 125 | P | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -66.7 | -28.2 | -174.5 | -22.4 | 35 | 0 | 0 | 0 | 113.9 | I28 L32 W59 R91 L95 I123 | I28-P125 HydrophobicContact CD1-CB 4.47Å; L32-P125 HydrophobicContact CD1-CG 4.33Å; W59-P125 WeakPolarHBondContact O-CD 3.48Å; R91-P125 WeakPolarHBondContact CA-O 3.22Å; L95-P125 HydrophobicContact CD2-CB 4.01Å; L95-P125 HydrophobicContact CD2-CG 3.89Å; L95-P125 HydrophobicContact CG-CB 4.41Å; I123-P125 HydrophobicContact CG2-CG 4.25Å; I123-P125 WeakPolarHBondContact O-CD 3.39Å |
| 126 | T | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | trans | -145.2 | 115.4 | 179.1 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | A81 N82 R91 L124 P129 | A81-T126 WeakPolarHBondContact O-CA 3.4Å; N82-T126 PolarHBondContact OD1-OG1 2.82Å; R91-T126 PolarHBondContact NH1-OG1 3.05Å; R91-T126 VanDerWaalsContact NH1-OG1 3.08Å; L124-T126 VanDerWaalsContact C-N 3.28Å; L124-T126 VanDerWaalsContact CD1-O 3.32Å; L124-T126 WeakPolarHBondContact CD1-O 3.5Å; L124-T126 PolarHBondContact O-N 2.61Å; T126-P129 HydrophobicContact CG2-CB 4.12Å | ||
| 127 | M | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -84.5 | -29.6 | 170.9 | 176.9 | -179.3 | 174.4 | 0 | 0 | 111.5 | V80 A81 M83 L124 P129 L153 F157 E178 V179 V182 M273 | V80-M127 HydrophobicContact CG1-CB 3.99Å; V80-M127 HydrophobicContact CG1-SD 4.28Å; A81-M127 PolarHBondContact O-N 3.01Å; M83-M127 HydrophobicContact CB-CB 4.02Å; M83-M127 HydrophobicContact CB-CG 4.19Å; M83-M127 HydrophobicContact CB-SD 3.64Å; M83-M127 HydrophobicContact CE-CE 4.48Å; M83-M127 HydrophobicContact CE-SD 4.14Å; L124-M127 HydrophobicContact CD2-CB 4.14Å; M127-P129 VanDerWaalsContact C-CD 3.41Å; M127-P129 VanDerWaalsContact O-CD 3.3Å; M127-P129 WeakPolarHBondContact O-CD 3.41Å; M127-L153 HydrophobicContact CE-CB 4.34Å; M127-L153 HydrophobicContact CE-CD1 4.16Å; M127-L153 HydrophobicContact CG-CD1 4.31Å; M127-F157 HydrophobicContact CE-CE2 3.94Å; M127-F157 HydrophobicContact CE-CZ 3.85Å; M127-E178 HydrophobicContact CE-CB 4.28Å; M127-E178 HydrophobicContact CG-CB 4.44Å; M127-E178 WeakPolarHBondContact O-CG 3.43Å; M127-V179 HydrophobicContact CE-CG2 4.43Å; M127-V182 HydrophobicContact CE-CB 4.27Å; M127-V182 HydrophobicContact CE-CG2 3.7Å; M127-V182 HydrophobicContact CG-CG2 4.14Å; M127-V182 HydrophobicContact SD-CG2 3.87Å; M127-M273 HydrophobicContact CE-SD 4.48Å; M127-M273 HydrophobicContact SD-CE 4.47Å; M127-M273 HydrophobicContact SD-SD 3.95Å |
| 128 | N | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -119.9 | 70.5 | -179.8 | -173.2 | 8 | 0 | 0 | 0 | 111.7 | N82 M83 D130 G131 F132 R145 A146 N147 L153 | N82-N128 WeakPolarHBondContact O-CB 3.26Å; N82-N128 PolarHBondContact O-N 3.28Å; M83-N128 WeakPolarHBondContact O-CB 3.46Å; M83-N128 PolarHBondContact O-ND2 2.99Å; N128-D130 PolarHBondContact O-N 3.32Å; N128-G131 PolarHBondContact O-N 2.82Å; N128-G131 PolarHBondContact OD1-N 2.95Å; N128-F132 PolarHBondContact O-N 2.82Å; N128-R145 PolarHBondContact ND2-O 2.83Å; N128-A146 VanDerWaalsContact ND2-C 3.27Å; N128-A146 PolarHBondContact ND2-O 2.96Å; N128-N147 PolarHBondContact ND2-N 3.13Å; N128-N147 WeakPolarHBondContact OD1-CA 3.31Å; N128-L153 HydrophobicContact CB-CD1 3.71Å | ||
| 129 | P | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -32.1 | 179.4 | 26.2 | -34.6 | 0 | 0 | 0 | 112.3 | N25 Q56 L58 T126 M127 F132 D133 | N25-P129 WeakPolarHBondContact ND2-CB 3.42Å; N25-P129 PolarHBondContact ND2-O 2.79Å; N25-P129 WeakPolarHBondContact OD1-CB 3.22Å; Q56-P129 HydrophobicContact CB-CB 4.29Å; Q56-P129 HydrophobicContact CB-CG 3.99Å; L58-P129 HydrophobicContact CD1-CG 4.38Å; T126-P129 HydrophobicContact CG2-CB 4.12Å; M127-P129 VanDerWaalsContact C-CD 3.41Å; M127-P129 VanDerWaalsContact O-CD 3.3Å; M127-P129 WeakPolarHBondContact O-CD 3.41Å; P129-F132 WeakPolarHBondContact O-CB 3.5Å; P129-F132 PolarHBondContact O-N 3.26Å; P129-D133 PolarHBondContact O-N 3.24Å; P129-D133 VanDerWaalsContact O-N 3.13Å |
| 130 | D | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.3 | -43.6 | 179.9 | -60.1 | -15.5 | 0 | 0 | 0 | 112.2 | S51 V52 K53 Q56 N128 F132 D133 E134 H148 | S51-D130 VanDerWaalsContact CB-CG 3.46Å; S51-D130 VanDerWaalsContact CB-OD1 3.3Å; S51-D130 WeakPolarHBondContact CB-OD1 3.24Å; S51-D130 WeakPolarHBondContact CB-OD2 3.3Å; S51-D130 VanDerWaalsContact OG-CG 3.23Å; S51-D130 PolarHBondContact OG-OD1 3.35Å; S51-D130 PolarHBondContact OG-OD2 2.76Å; V52-D130 PolarHBondContact N-OD2 3.18Å; V52-D130 VanDerWaalsContact N-OD2 3.09Å; K53-D130 HydrophobicContact CB-CB 4.05Å; K53-D130 VanDerWaalsContact CB-OD2 3.29Å; K53-D130 WeakPolarHBondContact CB-OD2 3.38Å; K53-D130 PolarHBondContact N-OD2 3.37Å; Q56-D130 PolarHBondContact NE2-OD1 2.88Å; N128-D130 PolarHBondContact O-N 3.32Å; D130-F132 VanDerWaalsContact C-N 3.25Å; D130-F132 PolarHBondContact O-N 3.15Å; D130-D133 PolarHBondContact O-N 3.45Å; D130-E134 PolarHBondContact O-N 3.21Å; D130-H148 HydrophobicContact CB-CB 3.99Å |
| 131 | G | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.3 | -35.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N128 E134 A135 G144 A146 | N128-G131 PolarHBondContact O-N 2.82Å; N128-G131 PolarHBondContact OD1-N 2.95Å; G131-E134 CarbonylContact O-C 3.52Å; G131-E134 PolarHBondContact O-N 3.36Å; G131-A135 WeakPolarHBondContact O-CB 3.5Å; G131-A135 PolarHBondContact O-N 3.43Å; G131-G144 CarbonylContact C-O 3.53Å; G131-G144 WeakPolarHBondContact CA-O 3.49Å; G131-G144 CarbonylContact O-C 3.6Å; G131-G144 WeakPolarHBondContact O-CA 3.32Å; G131-A146 WeakPolarHBondContact CA-O 3.46Å |
| 132 | F | 97.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.3 | 174 | -91.5 | 0 | 0 | 0 | 112 | G85 V88 N128 P129 D130 E134 A135 F295 | G85-F132 WeakPolarHBondContact O-CA 3.12Å; V88-F132 HydrophobicContact CG1-CD2 3.74Å; V88-F132 HydrophobicContact CG1-CE2 3.79Å; N128-F132 PolarHBondContact O-N 2.82Å; P129-F132 WeakPolarHBondContact O-CB 3.5Å; P129-F132 PolarHBondContact O-N 3.26Å; D130-F132 VanDerWaalsContact C-N 3.25Å; D130-F132 PolarHBondContact O-N 3.15Å; F132-E134 PolarHBondContact O-N 2.92Å; F132-A135 WeakPolarHBondContact O-CB 3.3Å; F132-A135 PolarHBondContact O-N 3.4Å; F132-F295 HydrophobicContact CE2-CZ 4.46Å |
| 133 | D | 96.7 | Very high | 94.2 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.8 | -25.1 | 177.1 | -71.7 | -27.6 | 0 | 0 | 0 | 112.7 | N25 Q56 P129 D130 | N25-D133 PolarHBondContact ND2-OD1 2.87Å; N25-D133 PolarHBondContact ND2-OD2 2.88Å; Q56-D133 PolarHBondContact NE2-OD2 3.49Å; Q56-D133 PolarHBondContact OE1-OD2 3.44Å; P129-D133 PolarHBondContact O-N 3.24Å; P129-D133 VanDerWaalsContact O-N 3.13Å; D130-D133 PolarHBondContact O-N 3.45Å |
| 134 | E | 95.7 | Very high | 94 | Very high | 63 Ų | 63 | 41 Ų | 41 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -98.3 | -4.9 | -179.8 | -65.4 | -179.7 | -169.1 | 0 | 0 | 113.5 | K53 D130 G131 F132 Q143 H148 | K53-E134 IonicContact NZ-OE1 3.29Å; K53-E134 PolarHBondContact NZ-OE1 3.06Å; D130-E134 PolarHBondContact O-N 3.21Å; G131-E134 CarbonylContact O-C 3.52Å; G131-E134 PolarHBondContact O-N 3.36Å; F132-E134 PolarHBondContact O-N 2.92Å; E134-Q143 WeakPolarHBondContact O-CG 3.34Å; E134-Q143 PolarHBondContact O-NE2 3.11Å; E134-H148 IonicContact OE1-CE1 2.86Å; E134-H148 IonicContact OE1-ND1 3.82Å; E134-H148 PolarHBondContact OE1-ND1 2.74Å |
| 135 | A | 95.4 | Very high | 94 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | trans | -68 | 137.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | N86 G131 F132 F295 | N86-A135 HydrophobicContact CB-CB 3.8Å; G131-A135 WeakPolarHBondContact O-CB 3.5Å; G131-A135 PolarHBondContact O-N 3.43Å; F132-A135 WeakPolarHBondContact O-CB 3.3Å; F132-A135 PolarHBondContact O-N 3.4Å; A135-F295 HydrophobicContact CB-CE2 4.15Å | ||
| 136 | D | 90.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | trans | -73.3 | 161.1 | 161.1 | 67.4 | 43.5 | 0 | 0 | 0 | 109.8 | N138 M141 Q143 F295 | D136-N138 PolarHBondContact O-N 3.45Å; D136-N138 WeakPolarHBondContact OD1-CB 3.4Å; D136-N138 PolarHBondContact OD1-N 2.93Å; D136-M141 WeakPolarHBondContact OD2-CB 3.2Å; D136-Q143 HydrophobicContact CB-CB 4.13Å; D136-Q143 WeakPolarHBondContact OD2-CB 3.47Å; D136-F295 WeakPolarHBondContact O-CD2 3.3Å; D136-F295 WeakPolarHBondContact O-CE2 3.16Å | ||
| 137 | T | 90.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -94.1 | 31.2 | 176.2 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | F295 | T137-F295 HydrophobicContact CG2-CD1 4.4Å; T137-F295 HydrophobicContact CG2-CE1 3.92Å; T137-F295 HydrophobicContact CG2-CE2 4.43Å; T137-F295 HydrophobicContact CG2-CZ 3.96Å |
| 138 | N | 87.6 | Confident | 93.8 | Very high | 67 Ų | 67 | 48 Ų | 48 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | trans | -93.3 | 153.1 | -177.8 | -167.6 | -72.3 | 0 | 0 | 0 | 111.1 | D136 L140 M141 F295 | D136-N138 PolarHBondContact O-N 3.45Å; D136-N138 WeakPolarHBondContact OD1-CB 3.4Å; D136-N138 PolarHBondContact OD1-N 2.93Å; N138-L140 PolarHBondContact OD1-N 2.86Å; N138-M141 HydrophobicContact CB-CB 3.95Å; N138-M141 HydrophobicContact CB-CG 3.95Å; N138-M141 HydrophobicContact CB-SD 4.05Å; N138-M141 PolarHBondContact OD1-N 2.86Å; N138-F295 VanDerWaalsContact O-CB 3.26Å; N138-F295 WeakPolarHBondContact O-CB 3.46Å | ||
| 139 | C | 89 | Confident | 93.7 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -70 | -37.8 | -177.6 | -157 | 0 | 0 | 0 | 0 | 114 | C293 K294 | C139-C293 WeakPolarHBondContact CA-SG 3.42Å; C139-C293 HydrophobicContact CB-CB 4.34Å; C139-C293 WeakPolarHBondContact CB-SG 3.36Å; C139-C293 WeakPolarHBondContact SG-CA 3.48Å; C139-C293 WeakPolarHBondContact SG-CB 3.44Å; C139-C293 CovalentContact SG-SG 2.04Å; C139-C293 PolarHBondContact SG-SG 2.97Å; C139-K294 WeakPolarHBondContact O-CB 3.43Å; C139-K294 PolarHBondContact O-N 3.17Å |
| 140 | L | 85.6 | Confident | 93.6 | Very high | 115 Ų | 115 | 55.1 Ų | 55.1 | 60% | 0.602 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -121.2 | -22 | -167.6 | -61.3 | 177.8 | 0 | 0 | 0 | 114 | N138 | N138-L140 PolarHBondContact OD1-N 2.86Š|
| 141 | M | 83.2 | Confident | 93.5 | Very high | 101 Ų | 101 | 57.4 Ų | 57.4 | 50% | 0.498 | 33% | 0.329 | S | S | . | . | trans | -65.2 | 163.5 | -177.5 | -65.4 | -176.8 | 65.5 | 0 | 0 | 112.2 | N86 D136 N138 | N86-M141 PolarHBondContact ND2-O 3.04Å; D136-M141 WeakPolarHBondContact OD2-CB 3.2Å; N138-M141 HydrophobicContact CB-CB 3.95Å; N138-M141 HydrophobicContact CB-CG 3.95Å; N138-M141 HydrophobicContact CB-SD 4.05Å; N138-M141 PolarHBondContact OD1-N 2.86Å | ||
| 142 | S | 84.9 | Confident | 93.5 | Very high | 84 Ų | 84 | 59 Ų | 59 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | trans | -108.4 | 2.5 | -173.4 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | G144 R145 | S142-G144 PolarHBondContact O-N 3.44Å; S142-R145 WeakPolarHBondContact O-CB 3.31Å; S142-R145 PolarHBondContact O-N 3.23Å; S142-R145 VanDerWaalsContact O-N 3.07Å | ||
| 143 | Q | 94.8 | Very high | 93.6 | Very high | 113 Ų | 113 | 57.9 Ų | 57.9 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 132.9 | 178.6 | -167.1 | -175.7 | -33.7 | 0 | 0 | 109.8 | N86 E134 D136 R145 | N86-Q143 VanDerWaalsContact CB-O 3.25Å; N86-Q143 WeakPolarHBondContact CB-O 3.3Å; E134-Q143 WeakPolarHBondContact O-CG 3.34Å; E134-Q143 PolarHBondContact O-NE2 3.11Å; D136-Q143 HydrophobicContact CB-CB 4.13Å; D136-Q143 WeakPolarHBondContact OD2-CB 3.47Å; Q143-R145 VanDerWaalsContact C-N 3.27Å; Q143-R145 PolarHBondContact O-N 2.85Å |
| 144 | G | 95.8 | Very high | 93.7 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 4.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G85 N86 G131 S142 | G85-G144 CarbonylContact C-O 3.11Å; G85-G144 WeakPolarHBondContact CA-O 3.34Å; G85-G144 PolarHBondContact N-O 3.28Å; N86-G144 PolarHBondContact N-O 3.48Å; G131-G144 CarbonylContact C-O 3.53Å; G131-G144 WeakPolarHBondContact CA-O 3.49Å; G131-G144 CarbonylContact O-C 3.6Å; G131-G144 WeakPolarHBondContact O-CA 3.32Å; S142-G144 PolarHBondContact O-N 3.44Å |
| 145 | R | 97.8 | Very high | 93.7 | Very high | 50 Ų | 50 | 55.5 Ų | 55.5 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | trans | -63.9 | -53.8 | 173.1 | -178.7 | -172.2 | 168.7 | 86.9 | -4.4 | 111.7 | H84 G85 N86 E87 N128 S142 Q143 D152 | H84-R145 VanDerWaalsContact CA-O 3.28Å; H84-R145 WeakPolarHBondContact CA-O 3.47Å; H84-R145 HydrophobicContact CB-CG 3.85Å; H84-R145 PolarHBondContact CE1-NH1 3.03Å; H84-R145 PolarHBondContact CE1-NH2 3.47Å; H84-R145 PolarHBondContact ND1-NH1 3.3Å; H84-R145 VanDerWaalsContact NE2-CZ 3.34Å; H84-R145 PolarHBondContact NE2-NH2 3.33Å; H84-R145 VanDerWaalsContact NE2-NH2 3.17Å; G85-R145 PolarHBondContact N-O 3.03Å; N86-R145 VanDerWaalsContact OD1-CA 3.24Å; N86-R145 WeakPolarHBondContact OD1-CA 3.27Å; N86-R145 WeakPolarHBondContact OD1-CB 3.16Å; E87-R145 IonicContact OE1-CZ 2.72Å; E87-R145 IonicContact OE1-NH1 2.91Å; E87-R145 PolarHBondContact OE1-NH1 2.79Å; N128-R145 PolarHBondContact ND2-O 2.83Å; S142-R145 WeakPolarHBondContact O-CB 3.31Å; S142-R145 PolarHBondContact O-N 3.23Å; S142-R145 VanDerWaalsContact O-N 3.07Å; Q143-R145 VanDerWaalsContact C-N 3.27Å; Q143-R145 PolarHBondContact O-N 2.85Å; R145-D152 IonicContact CZ-OD2 3.96Å; R145-D152 VanDerWaalsContact CZ-OD2 3.32Å; R145-D152 IonicContact NE-OD2 2.79Å; R145-D152 PolarHBondContact NE-OD2 3.35Å; R145-D152 IonicContact NH2-OD2 2.71Å; R145-D152 PolarHBondContact NH2-OD2 3.42Å | ||
| 146 | A | 97.8 | Very high | 93.5 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -70.7 | 166.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N128 G131 G150 V151 | N128-A146 VanDerWaalsContact ND2-C 3.27Å; N128-A146 PolarHBondContact ND2-O 2.96Å; G131-A146 WeakPolarHBondContact CA-O 3.46Å; A146-G150 VanDerWaalsContact CB-C 3.49Å; A146-V151 CarbonylContact C-O 3.49Å; A146-V151 WeakPolarHBondContact CA-O 3.48Å; A146-V151 WeakPolarHBondContact CB-O 3.43Å |
| 147 | N | 97.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | trans | -73.8 | -178.2 | 167.7 | 82.8 | -19.8 | 0 | 0 | 0 | 111.2 | N128 N149 G150 V151 L153 E176 E178 | N128-N147 PolarHBondContact ND2-N 3.13Å; N128-N147 WeakPolarHBondContact OD1-CA 3.31Å; N147-N149 PolarHBondContact O-N 2.86Å; N147-N149 VanDerWaalsContact O-N 3.14Å; N147-N149 PolarHBondContact OD1-N 3.06Å; N147-G150 PolarHBondContact O-N 3.09Å; N147-V151 PolarHBondContact N-O 2.88Å; N147-V151 WeakPolarHBondContact OD1-CB 3.5Å; N147-V151 PolarHBondContact OD1-N 3.2Å; N147-V151 PolarHBondContact OD1-O 2.84Å; N147-L153 HydrophobicContact CB-CD1 4.31Å; N147-L153 HydrophobicContact CB-CD2 3.79Å; N147-L153 HydrophobicContact CB-CG 4.06Å; N147-E176 WeakPolarHBondContact ND2-CG 3.39Å; N147-E176 PolarHBondContact ND2-OE2 3.29Å; N147-E178 PolarHBondContact ND2-OE2 3.26Å; N147-E178 VanDerWaalsContact ND2-OE2 3.08Å | ||
| 148 | H | 97.2 | Very high | 93.8 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.1 | -177.1 | -174.1 | 56.4 | 0 | 0 | 0 | 114.6 | V52 K53 D130 E134 G150 | V52-H148 HydrophobicContact CB-CB 4.1Å; V52-H148 HydrophobicContact CG1-CB 4.33Å; K53-H148 HydrophobicContact CB-CB 3.96Å; K53-H148 WeakPolarHBondContact CD-ND1 3.49Å; D130-H148 HydrophobicContact CB-CB 3.99Å; E134-H148 IonicContact OE1-CE1 2.86Å; E134-H148 IonicContact OE1-ND1 3.82Å; E134-H148 PolarHBondContact OE1-ND1 2.74Å; H148-G150 PolarHBondContact O-N 2.64Å |
| 149 | N | 96.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 46.9 Ų | 46.9 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 4.5 | 177.9 | -71.2 | -27.6 | 0 | 0 | 0 | 113.2 | N147 V151 E176 | N147-N149 PolarHBondContact O-N 2.86Å; N147-N149 VanDerWaalsContact O-N 3.14Å; N147-N149 PolarHBondContact OD1-N 3.06Å; N149-V151 VanDerWaalsContact C-N 3.33Å; N149-V151 HydrophobicContact CB-CG2 4.34Å; N149-E176 PolarHBondContact ND2-OE2 3.16Å |
| 150 | G | 96.4 | Very high | 93.8 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 60% | 0.598 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 76.4 | 17.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A146 N147 H148 | A146-G150 VanDerWaalsContact CB-C 3.49Å; N147-G150 PolarHBondContact O-N 3.09Å; H148-G150 PolarHBondContact O-N 2.64Å |
| 151 | V | 96.7 | Very high | 93.7 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 29% | 0.291 | 23% | 0.231 | S | C | . | . | trans | -93.6 | 132.4 | 179 | 179 | 0 | 0 | 0 | 0 | 110.9 | A146 N147 N149 L153 E176 | A146-V151 CarbonylContact C-O 3.49Å; A146-V151 WeakPolarHBondContact CA-O 3.48Å; A146-V151 WeakPolarHBondContact CB-O 3.43Å; N147-V151 PolarHBondContact N-O 2.88Å; N147-V151 WeakPolarHBondContact OD1-CB 3.5Å; N147-V151 PolarHBondContact OD1-N 3.2Å; N147-V151 PolarHBondContact OD1-O 2.84Å; N149-V151 VanDerWaalsContact C-N 3.33Å; N149-V151 HydrophobicContact CB-CG2 4.34Å; V151-L153 PolarHBondContact O-N 3.23Å; V151-E176 HydrophobicContact CB-CG 3.75Å; V151-E176 HydrophobicContact CG1-CG 3.73Å; V151-E176 HydrophobicContact CG2-CG 3.98Å | ||
| 152 | D | 97.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 36.2 Ų | 36.2 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | trans | -73.1 | 109.2 | 168 | -173.2 | -42.8 | 0 | 0 | 0 | 109 | H84 R145 N154 R155 G156 | H84-D152 IonicContact CD2-OD1 2.81Å; H84-D152 IonicContact NE2-OD1 2.94Å; H84-D152 PolarHBondContact NE2-OD1 3.01Å; H84-D152 VanDerWaalsContact NE2-OD1 3.11Å; H84-D152 IonicContact NE2-OD2 3.46Å; R145-D152 IonicContact CZ-OD2 3.96Å; R145-D152 VanDerWaalsContact CZ-OD2 3.32Å; R145-D152 IonicContact NE-OD2 2.79Å; R145-D152 PolarHBondContact NE-OD2 3.35Å; R145-D152 IonicContact NH2-OD2 2.71Å; R145-D152 PolarHBondContact NH2-OD2 3.42Å; D152-N154 PolarHBondContact O-N 2.89Å; D152-N154 WeakPolarHBondContact OD1-CA 3.27Å; D152-N154 PolarHBondContact OD1-N 3.27Å; D152-R155 HydrophobicContact CB-CB 4.3Å; D152-R155 HydrophobicContact CB-CG 4.04Å; D152-R155 PolarHBondContact O-N 2.97Å; D152-R155 PolarHBondContact OD1-N 3.42Å; D152-G156 PolarHBondContact O-N 3.13Å | ||
| 153 | L | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -61.8 | -28.2 | -177.4 | -61.5 | -175.1 | 0 | 0 | 0 | 112.4 | M83 M127 N128 N147 V151 R155 G156 F157 E176 E178 V179 | M83-L153 HydrophobicContact CE-CB 4.09Å; M127-L153 HydrophobicContact CE-CB 4.34Å; M127-L153 HydrophobicContact CE-CD1 4.16Å; M127-L153 HydrophobicContact CG-CD1 4.31Å; N128-L153 HydrophobicContact CB-CD1 3.71Å; N147-L153 HydrophobicContact CB-CD1 4.31Å; N147-L153 HydrophobicContact CB-CD2 3.79Å; N147-L153 HydrophobicContact CB-CG 4.06Å; V151-L153 PolarHBondContact O-N 3.23Å; L153-R155 PolarHBondContact O-N 3.27Å; L153-G156 PolarHBondContact O-N 3.32Å; L153-G156 VanDerWaalsContact O-N 3.11Å; L153-F157 WeakPolarHBondContact O-CD2 3.29Å; L153-E176 HydrophobicContact CD2-CB 3.92Å; L153-E176 HydrophobicContact CD2-CG 4.24Å; L153-E178 HydrophobicContact CD1-CB 3.78Å; L153-E178 HydrophobicContact CD1-CG 4.08Å; L153-E178 HydrophobicContact CD2-CB 4.21Å; L153-V179 HydrophobicContact CD2-CG2 4.04Å |
| 154 | N | 98.3 | Very high | 90 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -86.5 | 15.5 | 176.4 | -154 | 21.8 | 0 | 0 | 0 | 112.9 | M83 D152 G271 G272 M273 | M83-N154 VanDerWaalsContact CE-CA 3.49Å; M83-N154 HydrophobicContact CE-CB 3.39Å; M83-N154 HydrophobicContact SD-CB 3.78Å; D152-N154 PolarHBondContact O-N 2.89Å; D152-N154 WeakPolarHBondContact OD1-CA 3.27Å; D152-N154 PolarHBondContact OD1-N 3.27Å; N154-G271 CarbonylContact C-O 3.49Å; N154-G272 VanDerWaalsContact OD1-CA 3.31Å; N154-G272 WeakPolarHBondContact OD1-CA 3.37Å; N154-M273 PolarHBondContact OD1-N 3.32Å |
| 155 | R | 95.8 | Very high | 88 | Confident | 92 Ų | 92 | 39.3 Ų | 39.3 | 35% | 0.347 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -122.5 | 6.2 | 161.2 | -56.7 | -64.5 | -179.4 | -78.9 | -0.2 | 111.1 | D152 L153 L269 E270 G271 | D152-R155 HydrophobicContact CB-CB 4.3Å; D152-R155 HydrophobicContact CB-CG 4.04Å; D152-R155 PolarHBondContact O-N 2.97Å; D152-R155 PolarHBondContact OD1-N 3.42Å; L153-R155 PolarHBondContact O-N 3.27Å; R155-L269 VanDerWaalsContact CZ-CG 3.4Å; R155-L269 VanDerWaalsContact NH1-CG 3.29Å; R155-E270 WeakPolarHBondContact CD-O 3.21Å; R155-G271 CarbonylContact C-O 3.54Å; R155-G271 WeakPolarHBondContact CA-O 3.44Å |
| 156 | G | 92.9 | Very high | 85.8 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 12% | 0.124 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -95.2 | -7.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D152 L153 R175 G271 | D152-G156 PolarHBondContact O-N 3.13Å; L153-G156 PolarHBondContact O-N 3.32Å; L153-G156 VanDerWaalsContact O-N 3.11Å; G156-R175 WeakPolarHBondContact O-CD 3.17Å; G156-R175 PolarHBondContact O-NH1 3.09Å; G156-G271 PolarHBondContact N-O 2.71Å |
| 157 | F | 94.8 | Very high | 83.4 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -88.6 | 158.4 | -178.1 | -73.4 | -100.5 | 0 | 0 | 0 | 112.9 | M83 M127 L153 R175 V179 V182 I183 G271 M273 Y276 | M83-F157 HydrophobicContact CE-CE2 4.35Å; M127-F157 HydrophobicContact CE-CE2 3.94Å; M127-F157 HydrophobicContact CE-CZ 3.85Å; L153-F157 WeakPolarHBondContact O-CD2 3.29Å; F157-R175 PolarHBondContact O-NH1 3.1Å; F157-V179 HydrophobicContact CD1-CG1 3.99Å; F157-V179 HydrophobicContact CD2-CG1 4.12Å; F157-V179 HydrophobicContact CD2-CG2 4.38Å; F157-V179 HydrophobicContact CE1-CG1 3.97Å; F157-V179 HydrophobicContact CE2-CG1 4.08Å; F157-V179 HydrophobicContact CE2-CG2 4.05Å; F157-V179 HydrophobicContact CG-CG1 4.06Å; F157-V179 HydrophobicContact CZ-CG1 4.02Å; F157-V179 HydrophobicContact CZ-CG2 4.49Å; F157-V182 HydrophobicContact CE1-CB 4.42Å; F157-V182 HydrophobicContact CE1-CG1 4.07Å; F157-V182 HydrophobicContact CZ-CB 4.17Å; F157-V182 HydrophobicContact CZ-CG1 3.98Å; F157-I183 HydrophobicContact CD1-CD1 4.23Å; F157-I183 HydrophobicContact CD1-CG1 4.05Å; F157-I183 HydrophobicContact CE1-CD1 4.49Å; F157-I183 HydrophobicContact CE1-CG1 3.92Å; F157-G271 WeakPolarHBondContact CB-O 3.21Å; F157-G271 PolarHBondContact N-O 3.29Å; F157-G271 VanDerWaalsContact O-CA 3.27Å; F157-G271 WeakPolarHBondContact O-CA 3.3Å; F157-M273 HydrophobicContact CD1-CG 4.47Å; F157-M273 HydrophobicContact CD2-CB 3.8Å; F157-M273 HydrophobicContact CD2-CG 4.39Å; F157-M273 HydrophobicContact CE1-CB 4.32Å; F157-M273 HydrophobicContact CE1-CG 3.87Å; F157-M273 HydrophobicContact CE1-SD 4.43Å; F157-M273 HydrophobicContact CE2-CB 3.53Å; F157-M273 HydrophobicContact CE2-CG 3.8Å; F157-M273 HydrophobicContact CE2-SD 4.09Å; F157-M273 HydrophobicContact CG-CB 4.32Å; F157-M273 HydrophobicContact CZ-CB 3.81Å; F157-M273 HydrophobicContact CZ-CG 3.5Å; F157-M273 VanDerWaalsContact CZ-CG 3.5Å; F157-M273 HydrophobicContact CZ-SD 3.65Å; F157-Y276 HydrophobicContact CB-CG 4.38Å; F157-Y276 AromaticContact CD1-CD1 3.87Å; F157-Y276 HydrophobicContact CD1-CD1 3.87Å; F157-Y276 HydrophobicContact CD1-CD2 4.34Å; F157-Y276 AromaticContact CD1-CG 3.76Å; F157-Y276 HydrophobicContact CD1-CG 3.76Å; F157-Y276 HydrophobicContact CE1-CD1 4.31Å; F157-Y276 HydrophobicContact CG-CG 4.49Å |
| 158 | P | 91.6 | Very high | 81.1 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | trans | -56 | 138.9 | 168.7 | -22.9 | 32 | 0 | 0 | 0 | 111.4 | L170 E172 R175 I183 Y276 W280 | P158-L170 HydrophobicContact CB-CD2 3.67Å; P158-E172 HydrophobicContact CG-CG 4.07Å; P158-R175 VanDerWaalsContact CA-NH2 3.29Å; P158-R175 VanDerWaalsContact CG-CZ 3.43Å; P158-R175 VanDerWaalsContact CG-NH2 3.34Å; P158-R175 VanDerWaalsContact N-NH1 3.17Å; P158-I183 HydrophobicContact CG-CD1 4.36Å; P158-Y276 HydrophobicContact CB-CD2 3.91Å; P158-Y276 HydrophobicContact CB-CE2 3.94Å; P158-Y276 HydrophobicContact CG-CD2 3.77Å; P158-Y276 HydrophobicContact CG-CE2 3.48Å; P158-Y276 VanDerWaalsContact CG-CE2 3.48Å; P158-W280 HydrophobicContact CB-CH2 3.94Å; P158-W280 HydrophobicContact CB-CZ2 4.36Å; P158-W280 HydrophobicContact CB-CZ3 4.15Å; P158-W280 WeakPolarHBondContact O-CH2 3.5Å; P158-W280 WeakPolarHBondContact O-CZ3 3.26Å | ||
| 159 | D | 89.4 | Confident | 78.9 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.064 | 31% | 0.308 | C | S | . | . | trans | -118 | 126.4 | -176.6 | -174.4 | -78 | 0 | 0 | 0 | 111.3 | F161 A162 G163 N210 E270 G271 | D159-F161 VanDerWaalsContact C-N 3.26Å; D159-F161 PolarHBondContact O-N 3.11Å; D159-F161 WeakPolarHBondContact OD1-CA 3.49Å; D159-F161 WeakPolarHBondContact OD1-CB 3.26Å; D159-F161 PolarHBondContact OD1-N 2.98Å; D159-A162 HydrophobicContact CB-CB 3.81Å; D159-A162 WeakPolarHBondContact OD1-CB 3.41Å; D159-A162 PolarHBondContact OD1-N 3.25Å; D159-G163 PolarHBondContact O-N 3.08Å; D159-N210 VanDerWaalsContact CG-ND2 3.25Å; D159-N210 PolarHBondContact OD1-ND2 2.93Å; D159-N210 PolarHBondContact OD2-ND2 3.2Å; D159-E270 HydrophobicContact CB-CG 4.14Å; D159-E270 WeakPolarHBondContact OD2-CA 3.44Å; D159-G271 PolarHBondContact OD2-N 3.29Å | ||
| 160 | A | 86.1 | Confident | 77.3 | Confident | 20 Ų | 20 | 57 Ų | 57 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -20.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V279 W280 M348 | A160-V279 HydrophobicContact CB-CG1 4.13Å; A160-V279 HydrophobicContact CB-CG2 4.07Å; A160-W280 HydrophobicContact CB-CH2 3.82Å; A160-W280 HydrophobicContact CB-CZ2 4.3Å; A160-W280 HydrophobicContact CB-CZ3 4.37Å; A160-M348 HydrophobicContact CB-SD 3.7Å |
| 161 | F | 83.8 | Confident | 76.2 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -30.5 | -176.1 | -55 | -88.2 | 0 | 0 | 0 | 111.9 | D159 L164 Y208 N210 D212 M348 | D159-F161 VanDerWaalsContact C-N 3.26Å; D159-F161 PolarHBondContact O-N 3.11Å; D159-F161 WeakPolarHBondContact OD1-CA 3.49Å; D159-F161 WeakPolarHBondContact OD1-CB 3.26Å; D159-F161 PolarHBondContact OD1-N 2.98Å; F161-L164 WeakPolarHBondContact O-CB 3.3Å; F161-L164 PolarHBondContact O-N 3.19Å; F161-Y208 AromaticContact CE2-CD1 3.93Å; F161-Y208 HydrophobicContact CE2-CD1 3.93Å; F161-Y208 HydrophobicContact CE2-CE1 4.48Å; F161-Y208 AromaticContact CE2-CG 3.99Å; F161-Y208 HydrophobicContact CE2-CG 3.99Å; F161-Y208 AromaticContact CZ-CD1 3.93Å; F161-Y208 HydrophobicContact CZ-CD1 3.93Å; F161-Y208 AromaticContact CZ-CD2 3.87Å; F161-Y208 HydrophobicContact CZ-CD2 3.87Å; F161-Y208 HydrophobicContact CZ-CE1 4.33Å; F161-Y208 HydrophobicContact CZ-CE2 4.24Å; F161-Y208 AromaticContact CZ-CG 3.68Å; F161-Y208 HydrophobicContact CZ-CG 3.68Å; F161-N210 HydrophobicContact CB-CB 4.5Å; F161-N210 HydrophobicContact CD2-CB 3.62Å; F161-N210 HydrophobicContact CE2-CB 4.1Å; F161-N210 WeakPolarHBondContact CE2-O 3.36Å; F161-N210 HydrophobicContact CG-CB 4.3Å; F161-N210 WeakPolarHBondContact CZ-O 3.32Å; F161-D212 HydrophobicContact CD1-CB 4.03Å; F161-D212 VanDerWaalsContact CD1-N 3.29Å; F161-M348 HydrophobicContact CD1-CE 4.06Å; F161-M348 HydrophobicContact CE1-CE 3.3Å; F161-M348 HydrophobicContact CE2-CE 4.12Å; F161-M348 HydrophobicContact CZ-CE 3.35Å |
| 162 | A | 71.2 | Confident | 75.5 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D159 L164 R165 K166 E270 | D159-A162 HydrophobicContact CB-CB 3.81Å; D159-A162 WeakPolarHBondContact OD1-CB 3.41Å; D159-A162 PolarHBondContact OD1-N 3.25Å; A162-L164 PolarHBondContact O-N 3Å; A162-R165 PolarHBondContact O-N 3.35Å; A162-K166 PolarHBondContact O-N 3.02Å; A162-E270 HydrophobicContact CB-CG 4.03Å; A162-E270 WeakPolarHBondContact CB-OE1 3.42Å |
| 163 | G | 56.6 | Low | 74.7 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | D159 R165 | D159-G163 PolarHBondContact O-N 3.08Å; G163-R165 VanDerWaalsContact C-N 3.31Å |
| 164 | L | 57 | Low | 74 | Confident | 119 Ų | 119 | 68.6 Ų | 68.6 | 62% | 0.623 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20 | 172.3 | -61.5 | 173.2 | 0 | 0 | 0 | 112.8 | F161 A162 D212 | F161-L164 WeakPolarHBondContact O-CB 3.3Å; F161-L164 PolarHBondContact O-N 3.19Å; A162-L164 PolarHBondContact O-N 3Å; L164-D212 HydrophobicContact CD1-CB 4.1Å |
| 165 | R | 54.5 | Low | 73.7 | Confident | 131 Ų | 131 | 70.8 Ų | 70.8 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -33.5 | -173.2 | -65.2 | -176.7 | 178.5 | 178.9 | 4 | 113.5 | A162 G163 D212 Q213 | A162-R165 PolarHBondContact O-N 3.35Å; G163-R165 VanDerWaalsContact C-N 3.31Å; R165-D212 PolarHBondContact NH2-O 2.79Å; R165-Q213 PolarHBondContact NH2-O 3.18Å |
| 166 | K | 51.7 | Low | 73.7 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 52% | 0.522 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -119.8 | 131 | 176.4 | -66.8 | 173.3 | -178.5 | 168.9 | 0 | 106.6 | A162 Q168 | A162-K166 PolarHBondContact O-N 3.02Å; K166-Q168 HydrophobicContact CB-CB 3.98Å; K166-Q168 PolarHBondContact O-N 3.23Å |
| 167 | Q | 47.1 | Very low | 74 | Confident | 184 Ų | 184 | 68.5 Ų | 68.5 | 86% | 0.86 | 33% | 0.331 | S | S | * | . | trans | -65.9 | 52.4 | 160.6 | -75.2 | 164.9 | -59.1 | 0 | 0 | 109.5 | E169 | Q167-E169 PolarHBondContact O-N 3.08Š| ||
| 168 | Q | 48.7 | Very low | 74.1 | Confident | 117 Ų | 117 | 68.3 Ų | 68.3 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | trans | -81.1 | 109.5 | 175.4 | -160.7 | 160.4 | -3 | 0 | 0 | 104.4 | K166 L170 | K166-Q168 HydrophobicContact CB-CB 3.98Å; K166-Q168 PolarHBondContact O-N 3.23Å; Q168-L170 PolarHBondContact O-N 2.8Å | ||
| 169 | E | 52.6 | Low | 74.5 | Confident | 161 Ų | 161 | 68.2 Ų | 68.2 | 75% | 0.752 | 33% | 0.33 | S | S | * | . | trans | -52.2 | 120.6 | 171.4 | -68.5 | -176.1 | 160.5 | 0 | 0 | 107.1 | Q167 N171 | Q167-E169 PolarHBondContact O-N 3.08Å; E169-N171 HydrophobicContact CB-CB 4.37Å; E169-N171 PolarHBondContact O-N 3.47Å | ||
| 170 | L | 61.9 | Low | 74.8 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | trans | -68.8 | 36.7 | 176.2 | -65.6 | 156.4 | 0 | 0 | 0 | 110.1 | P158 Q168 E172 Y422 | P158-L170 HydrophobicContact CB-CD2 3.67Å; Q168-L170 PolarHBondContact O-N 2.8Å; L170-E172 PolarHBondContact O-N 3.17Å; L170-Y422 HydrophobicContact CB-CD1 3.69Å; L170-Y422 HydrophobicContact CB-CE1 4.43Å; L170-Y422 HydrophobicContact CD1-CD1 3.83Å; L170-Y422 HydrophobicContact CD1-CG 4.49Å; L170-Y422 HydrophobicContact CG-CD1 4.37Å | ||
| 171 | N | 73.3 | Confident | 75.4 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | trans | -67.3 | 101.5 | -170.7 | -169.6 | -8.5 | 0 | 0 | 0 | 109.5 | E169 E173 Q174 | E169-N171 HydrophobicContact CB-CB 4.37Å; E169-N171 PolarHBondContact O-N 3.47Å; N171-E173 PolarHBondContact O-N 3.23Å; N171-E173 WeakPolarHBondContact OD1-CB 3.14Å; N171-E173 PolarHBondContact OD1-N 3.25Å; N171-E173 VanDerWaalsContact OD1-N 3.08Å; N171-Q174 PolarHBondContact O-N 3.22Å | ||
| 172 | E | 82.1 | Confident | 76.1 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -67.5 | -25.8 | -179.8 | -64.1 | 175.2 | 168.3 | 0 | 0 | 111.9 | P158 L170 Q174 R175 R180 I183 R187 Y276 Y422 | P158-E172 HydrophobicContact CG-CG 4.07Å; L170-E172 PolarHBondContact O-N 3.17Å; E172-Q174 PolarHBondContact O-N 2.94Å; E172-R175 WeakPolarHBondContact O-CB 3.38Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R180 WeakPolarHBondContact O-CD 3.45Å; E172-R180 WeakPolarHBondContact O-CG 3.47Å; E172-I183 HydrophobicContact CB-CD1 4.33Å; E172-I183 HydrophobicContact CG-CD1 3.97Å; E172-I183 HydrophobicContact CG-CG2 4.5Å; E172-I183 WeakPolarHBondContact OE2-CG2 3.37Å; E172-R187 VanDerWaalsContact CD-NH2 3.27Å; E172-R187 IonicContact OE1-NH2 2.67Å; E172-R187 PolarHBondContact OE1-NH2 3.44Å; E172-R187 IonicContact OE2-CZ 3.95Å; E172-R187 IonicContact OE2-NH1 3.83Å; E172-R187 PolarHBondContact OE2-NH1 2.81Å; E172-R187 IonicContact OE2-NH2 3.05Å; E172-R187 PolarHBondContact OE2-NH2 3.13Å; E172-Y276 PolarHBondContact OE1-OH 3.33Å; E172-Y422 PolarHBondContact OE1-OH 3.28Å |
| 173 | E | 80.6 | Confident | 77.3 | Confident | 160 Ų | 160 | 71.9 Ų | 71.9 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -66.6 | -25.5 | -178.3 | -59.8 | -173.9 | 164.7 | 0 | 0 | 113 | N171 R175 R180 | N171-E173 PolarHBondContact O-N 3.23Å; N171-E173 WeakPolarHBondContact OD1-CB 3.14Å; N171-E173 PolarHBondContact OD1-N 3.25Å; N171-E173 VanDerWaalsContact OD1-N 3.08Å; E173-R175 VanDerWaalsContact C-N 3.33Å; E173-R180 WeakPolarHBondContact O-CD 3.4Å |
| 174 | Q | 85.2 | Confident | 79.3 | Confident | 154 Ų | 154 | 72.7 Ų | 72.7 | 72% | 0.72 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -87.7 | 0.3 | 179.6 | -67.3 | 179.9 | -16.3 | 0 | 0 | 113.5 | N171 E172 | N171-Q174 PolarHBondContact O-N 3.22Å; E172-Q174 PolarHBondContact O-N 2.94Å |
| 175 | R | 91.3 | Very high | 81.3 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 18% | 0.181 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -82.2 | 161.8 | -179 | -59.9 | 177.6 | -174.2 | -81.3 | -5.5 | 111.5 | G156 F157 P158 E172 E173 V179 R180 | G156-R175 WeakPolarHBondContact O-CD 3.17Å; G156-R175 PolarHBondContact O-NH1 3.09Å; F157-R175 PolarHBondContact O-NH1 3.1Å; P158-R175 VanDerWaalsContact CA-NH2 3.29Å; P158-R175 VanDerWaalsContact CG-CZ 3.43Å; P158-R175 VanDerWaalsContact CG-NH2 3.34Å; P158-R175 VanDerWaalsContact N-NH1 3.17Å; E172-R175 WeakPolarHBondContact O-CB 3.38Å; E172-R175 PolarHBondContact O-N 3.19Å; E173-R175 VanDerWaalsContact C-N 3.33Å; R175-V179 HydrophobicContact CB-CB 4.15Å; R175-V179 HydrophobicContact CB-CG1 3.99Å; R175-V179 HydrophobicContact CG-CG1 4.48Å; R175-R180 HydrophobicContact CB-CG 4.06Å; R175-R180 WeakPolarHBondContact O-CD 3.38Å; R175-R180 PolarHBondContact O-NE 3.04Å |
| 176 | E | 96.4 | Very high | 83.3 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | trans | -53.4 | 150.7 | 175.9 | -67.5 | -56 | 120.1 | 0 | 0 | 111.9 | N147 N149 V151 L153 E178 V179 R180 | N147-E176 WeakPolarHBondContact ND2-CG 3.39Å; N147-E176 PolarHBondContact ND2-OE2 3.29Å; N149-E176 PolarHBondContact ND2-OE2 3.16Å; V151-E176 HydrophobicContact CB-CG 3.75Å; V151-E176 HydrophobicContact CG1-CG 3.73Å; V151-E176 HydrophobicContact CG2-CG 3.98Å; L153-E176 HydrophobicContact CD2-CB 3.92Å; L153-E176 HydrophobicContact CD2-CG 4.24Å; E176-E178 PolarHBondContact O-N 2.98Å; E176-V179 HydrophobicContact CB-CG2 4.26Å; E176-V179 PolarHBondContact O-N 3.25Å; E176-V179 VanDerWaalsContact O-N 3.09Å; E176-R180 PolarHBondContact O-N 2.98Å | ||
| 177 | A | 97.5 | Very high | 85.4 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.9 | -39.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112 | K50 V52 R180 A181 | K50-A177 WeakPolarHBondContact O-CB 3.45Å; V52-A177 HydrophobicContact CG2-CB 4.03Å; A177-R180 PolarHBondContact O-N 3.36Å; A177-A181 WeakPolarHBondContact O-CB 3.39Å; A177-A181 PolarHBondContact O-N 3.37Å |
| 178 | E | 98.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 177.8 | -57.5 | 80.3 | -175 | 0 | 0 | 111.6 | S51 V52 L58 M127 N147 L153 E176 A181 V182 | S51-E178 VanDerWaalsContact CA-OE1 3.27Å; S51-E178 WeakPolarHBondContact CA-OE1 3.48Å; S51-E178 WeakPolarHBondContact CB-OE1 3.19Å; V52-E178 PolarHBondContact N-OE1 3.39Å; V52-E178 VanDerWaalsContact N-OE1 3.13Å; L58-E178 HydrophobicContact CD2-CB 4.12Å; L58-E178 HydrophobicContact CD2-CG 4.26Å; M127-E178 HydrophobicContact CE-CB 4.28Å; M127-E178 HydrophobicContact CG-CB 4.44Å; M127-E178 WeakPolarHBondContact O-CG 3.43Å; N147-E178 PolarHBondContact ND2-OE2 3.26Å; N147-E178 VanDerWaalsContact ND2-OE2 3.08Å; L153-E178 HydrophobicContact CD1-CB 3.78Å; L153-E178 HydrophobicContact CD1-CG 4.08Å; L153-E178 HydrophobicContact CD2-CB 4.21Å; E176-E178 PolarHBondContact O-N 2.98Å; E178-A181 WeakPolarHBondContact O-CB 3.49Å; E178-A181 PolarHBondContact O-N 3.24Å; E178-V182 WeakPolarHBondContact O-CG2 3.33Å; E178-V182 PolarHBondContact O-N 3.33Å |
| 179 | V | 98.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 176.7 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | M127 L153 F157 R175 E176 A181 V182 I183 | M127-V179 HydrophobicContact CE-CG2 4.43Å; L153-V179 HydrophobicContact CD2-CG2 4.04Å; F157-V179 HydrophobicContact CD1-CG1 3.99Å; F157-V179 HydrophobicContact CD2-CG1 4.12Å; F157-V179 HydrophobicContact CD2-CG2 4.38Å; F157-V179 HydrophobicContact CE1-CG1 3.97Å; F157-V179 HydrophobicContact CE2-CG1 4.08Å; F157-V179 HydrophobicContact CE2-CG2 4.05Å; F157-V179 HydrophobicContact CG-CG1 4.06Å; F157-V179 HydrophobicContact CZ-CG1 4.02Å; F157-V179 HydrophobicContact CZ-CG2 4.49Å; R175-V179 HydrophobicContact CB-CB 4.15Å; R175-V179 HydrophobicContact CB-CG1 3.99Å; R175-V179 HydrophobicContact CG-CG1 4.48Å; E176-V179 HydrophobicContact CB-CG2 4.26Å; E176-V179 PolarHBondContact O-N 3.25Å; E176-V179 VanDerWaalsContact O-N 3.09Å; V179-A181 VanDerWaalsContact C-N 3.32Å; V179-A181 PolarHBondContact O-N 3.2Å; V179-V182 PolarHBondContact O-N 3.32Å; V179-I183 HydrophobicContact CG1-CD1 3.8Å; V179-I183 HydrophobicContact CG1-CG1 4.34Å; V179-I183 WeakPolarHBondContact O-CB 3.32Å; V179-I183 WeakPolarHBondContact O-CG1 3.46Å; V179-I183 PolarHBondContact O-N 2.93Å |
| 180 | R | 97.1 | Very high | 92 | Very high | 116 Ų | 116 | 47.9 Ų | 47.9 | 44% | 0.438 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 177.2 | -72.6 | -172.9 | -66.6 | 114.4 | 0.4 | 112.3 | E172 E173 R175 E176 A177 I183 G184 | E172-R180 WeakPolarHBondContact O-CD 3.45Å; E172-R180 WeakPolarHBondContact O-CG 3.47Å; E173-R180 WeakPolarHBondContact O-CD 3.4Å; R175-R180 HydrophobicContact CB-CG 4.06Å; R175-R180 WeakPolarHBondContact O-CD 3.38Å; R175-R180 PolarHBondContact O-NE 3.04Å; E176-R180 PolarHBondContact O-N 2.98Å; A177-R180 PolarHBondContact O-N 3.36Å; R180-I183 PolarHBondContact O-N 3.4Å; R180-G184 PolarHBondContact O-N 3.41Å |
| 181 | A | 98.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I48 L58 A177 E178 V179 G184 W185 | I48-A181 HydrophobicContact CD1-CB 4.41Å; I48-A181 HydrophobicContact CG1-CB 4.29Å; I48-A181 WeakPolarHBondContact O-CB 3.42Å; L58-A181 HydrophobicContact CD2-CB 3.95Å; A177-A181 WeakPolarHBondContact O-CB 3.39Å; A177-A181 PolarHBondContact O-N 3.37Å; E178-A181 WeakPolarHBondContact O-CB 3.49Å; E178-A181 PolarHBondContact O-N 3.24Å; V179-A181 VanDerWaalsContact C-N 3.32Å; V179-A181 PolarHBondContact O-N 3.2Å; A181-G184 PolarHBondContact O-N 3.36Å; A181-W185 VanDerWaalsContact O-CB 3.3Å; A181-W185 WeakPolarHBondContact O-CB 3.26Å; A181-W185 PolarHBondContact O-N 2.94Å |
| 182 | V | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.7 | 173 | 0 | 0 | 0 | 0 | 112 | I48 L124 M127 F157 E178 V179 G184 W185 L186 M273 | I48-V182 HydrophobicContact CD1-CG2 4.01Å; L124-V182 HydrophobicContact CD2-CG2 4.34Å; M127-V182 HydrophobicContact CE-CB 4.27Å; M127-V182 HydrophobicContact CE-CG2 3.7Å; M127-V182 HydrophobicContact CG-CG2 4.14Å; M127-V182 HydrophobicContact SD-CG2 3.87Å; F157-V182 HydrophobicContact CE1-CB 4.42Å; F157-V182 HydrophobicContact CE1-CG1 4.07Å; F157-V182 HydrophobicContact CZ-CB 4.17Å; F157-V182 HydrophobicContact CZ-CG1 3.98Å; E178-V182 WeakPolarHBondContact O-CG2 3.33Å; E178-V182 PolarHBondContact O-N 3.33Å; V179-V182 PolarHBondContact O-N 3.32Å; V182-G184 PolarHBondContact O-N 2.93Å; V182-W185 WeakPolarHBondContact O-CB 3.22Å; V182-W185 PolarHBondContact O-N 3.4Å; V182-L186 HydrophobicContact CG1-CD1 4.11Å; V182-L186 HydrophobicContact CG1-CG 4.35Å; V182-L186 WeakPolarHBondContact O-CB 3.34Å; V182-L186 VanDerWaalsContact O-CG 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.49Å; V182-L186 PolarHBondContact O-N 2.91Å; V182-M273 HydrophobicContact CG1-SD 3.85Å |
| 183 | I | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 174.8 | -72.7 | 175.6 | 0 | 0 | 0 | 111.3 | F157 P158 E172 V179 R180 W185 L186 R187 Y276 | F157-I183 HydrophobicContact CD1-CD1 4.23Å; F157-I183 HydrophobicContact CD1-CG1 4.05Å; F157-I183 HydrophobicContact CE1-CD1 4.49Å; F157-I183 HydrophobicContact CE1-CG1 3.92Å; P158-I183 HydrophobicContact CG-CD1 4.36Å; E172-I183 HydrophobicContact CB-CD1 4.33Å; E172-I183 HydrophobicContact CG-CD1 3.97Å; E172-I183 HydrophobicContact CG-CG2 4.5Å; E172-I183 WeakPolarHBondContact OE2-CG2 3.37Å; V179-I183 HydrophobicContact CG1-CD1 3.8Å; V179-I183 HydrophobicContact CG1-CG1 4.34Å; V179-I183 WeakPolarHBondContact O-CB 3.32Å; V179-I183 WeakPolarHBondContact O-CG1 3.46Å; V179-I183 PolarHBondContact O-N 2.93Å; R180-I183 PolarHBondContact O-N 3.4Å; I183-W185 VanDerWaalsContact C-N 3.29Å; I183-W185 PolarHBondContact O-N 3.49Å; I183-L186 PolarHBondContact O-N 3.39Å; I183-R187 PolarHBondContact O-N 2.96Å; I183-Y276 HydrophobicContact CD1-CE2 4.44Å; I183-Y276 HydrophobicContact CG1-CE1 3.8Å; I183-Y276 WeakPolarHBondContact CG2-OH 3.1Å |
| 184 | G | 97.4 | Very high | 96.7 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 39% | 0.392 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R180 A181 V182 R187 S188 | R180-G184 PolarHBondContact O-N 3.41Å; A181-G184 PolarHBondContact O-N 3.36Å; V182-G184 PolarHBondContact O-N 2.93Å; G184-R187 PolarHBondContact O-N 3.18Å; G184-S188 PolarHBondContact O-N 3.32Å |
| 185 | W | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 176.8 | 179.2 | 40.3 | 0 | 0 | 0 | 112.9 | Y46 I48 V60 K78 V80 H122 L124 A181 V182 I183 R187 S188 F191 | Y46-W185 AromaticContact CZ-NE1 3.97Å; Y46-W185 PolarHBondContact OH-NE1 3.23Å; I48-W185 HydrophobicContact CB-CB 4.03Å; I48-W185 HydrophobicContact CB-CG 4.26Å; I48-W185 HydrophobicContact CD1-CB 4.15Å; I48-W185 HydrophobicContact CD1-CD2 4.17Å; I48-W185 HydrophobicContact CD1-CE3 3.87Å; I48-W185 HydrophobicContact CD1-CG 4.31Å; I48-W185 HydrophobicContact CG2-CB 3.79Å; I48-W185 HydrophobicContact CG2-CD2 3.97Å; I48-W185 HydrophobicContact CG2-CG 3.5Å; I48-W185 VanDerWaalsContact CG2-CG 3.5Å; V60-W185 HydrophobicContact CG1-CH2 4.48Å; V60-W185 HydrophobicContact CG1-CZ2 3.97Å; V60-W185 HydrophobicContact CG2-CH2 4.5Å; V60-W185 HydrophobicContact CG2-CZ2 4.34Å; K78-W185 HydrophobicContact CB-CH2 3.73Å; K78-W185 HydrophobicContact CB-CZ2 4.12Å; K78-W185 HydrophobicContact CD-CE3 4.38Å; K78-W185 HydrophobicContact CD-CH2 3.48Å; K78-W185 VanDerWaalsContact CD-CH2 3.48Å; K78-W185 HydrophobicContact CD-CZ2 4.02Å; K78-W185 HydrophobicContact CD-CZ3 3.68Å; K78-W185 HydrophobicContact CG-CH2 4.21Å; V80-W185 HydrophobicContact CG2-CH2 4.33Å; V80-W185 HydrophobicContact CG2-CZ3 3.83Å; H122-W185 HydrophobicContact CB-CH2 4.29Å; H122-W185 HydrophobicContact CB-CZ2 3.64Å; L124-W185 HydrophobicContact CB-CH2 4.42Å; L124-W185 HydrophobicContact CB-CZ3 4.41Å; L124-W185 HydrophobicContact CD2-CZ3 4.15Å; A181-W185 VanDerWaalsContact O-CB 3.3Å; A181-W185 WeakPolarHBondContact O-CB 3.26Å; A181-W185 PolarHBondContact O-N 2.94Å; V182-W185 WeakPolarHBondContact O-CB 3.22Å; V182-W185 PolarHBondContact O-N 3.4Å; I183-W185 VanDerWaalsContact C-N 3.29Å; I183-W185 PolarHBondContact O-N 3.49Å; W185-R187 PolarHBondContact O-N 2.54Å; W185-R187 VanDerWaalsContact O-N 3.15Å; W185-S188 WeakPolarHBondContact O-CB 3.34Å; W185-S188 PolarHBondContact O-N 3.49Å; W185-S188 PolarHBondContact O-OG 2.92Å; W185-F191 HydrophobicContact CD2-CE2 4.08Å; W185-F191 HydrophobicContact CD2-CZ 4.25Å; W185-F191 AromaticContact CE2-CE2 3.61Å; W185-F191 AromaticContact CE2-CZ 3.34Å; W185-F191 HydrophobicContact CG-CE2 4.33Å; W185-F191 HydrophobicContact CH2-CZ 4.27Å; W185-F191 HydrophobicContact CZ2-CE1 4.01Å; W185-F191 AromaticContact CZ2-CE2 3.95Å; W185-F191 HydrophobicContact CZ2-CE2 3.95Å; W185-F191 AromaticContact CZ2-CZ 3.33Å; W185-F191 HydrophobicContact CZ2-CZ 3.33Å; W185-F191 AromaticContact NE1-CE2 3.55Å; W185-F191 AromaticContact NE1-CZ 3.31Å; W185-F191 VanDerWaalsContact NE1-CZ 3.31Å |
| 186 | L | 97.9 | Very high | 97.7 | Very high | 10 Ų | 10 | 26 Ų | 26 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -25.3 | 174.6 | -75.4 | 170.4 | 0 | 0 | 0 | 113.3 | K78 V182 I183 F191 Y276 N277 A281 | K78-L186 HydrophobicContact CD-CD2 4.45Å; V182-L186 HydrophobicContact CG1-CD1 4.11Å; V182-L186 HydrophobicContact CG1-CG 4.35Å; V182-L186 WeakPolarHBondContact O-CB 3.34Å; V182-L186 VanDerWaalsContact O-CG 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.49Å; V182-L186 PolarHBondContact O-N 2.91Å; I183-L186 PolarHBondContact O-N 3.39Å; L186-F191 HydrophobicContact CD2-CD2 4.06Å; L186-Y276 HydrophobicContact CD1-CD1 3.66Å; L186-Y276 HydrophobicContact CD1-CE1 3.64Å; L186-N277 VanDerWaalsContact CD2-OD1 3.24Å; L186-N277 WeakPolarHBondContact CD2-OD1 3.42Å; L186-A281 HydrophobicContact CB-CB 4.04Å; L186-A281 HydrophobicContact CD1-CB 4.2Å; L186-A281 HydrophobicContact CD2-CB 3.9Å; L186-A281 HydrophobicContact CG-CB 4.28Å |
| 187 | R | 94.8 | Very high | 97.8 | Very high | 146 Ų | 146 | 24.4 Ų | 24.4 | 55% | 0.551 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -85.9 | -20.2 | 175 | -68.3 | 171.6 | 168.7 | 152.1 | -1 | 113.8 | E172 I183 G184 W185 Y422 | E172-R187 VanDerWaalsContact CD-NH2 3.27Å; E172-R187 IonicContact OE1-NH2 2.67Å; E172-R187 PolarHBondContact OE1-NH2 3.44Å; E172-R187 IonicContact OE2-CZ 3.95Å; E172-R187 IonicContact OE2-NH1 3.83Å; E172-R187 PolarHBondContact OE2-NH1 2.81Å; E172-R187 IonicContact OE2-NH2 3.05Å; E172-R187 PolarHBondContact OE2-NH2 3.13Å; I183-R187 PolarHBondContact O-N 2.96Å; G184-R187 PolarHBondContact O-N 3.18Å; W185-R187 PolarHBondContact O-N 2.54Å; W185-R187 VanDerWaalsContact O-N 3.15Å; R187-Y422 PolarHBondContact NH2-OH 3.27Å |
| 188 | S | 95.5 | Very high | 97.9 | Very high | 73 Ų | 73 | 23.6 Ų | 23.6 | 51% | 0.51 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -80.3 | -22.2 | -174.3 | 70.5 | 0 | 0 | 0 | 0 | 113.6 | G184 W185 | G184-S188 PolarHBondContact O-N 3.32Å; W185-S188 WeakPolarHBondContact O-CB 3.34Å; W185-S188 PolarHBondContact O-N 3.49Å; W185-S188 PolarHBondContact O-OG 2.92Å |
| 189 | E | 95.9 | Very high | 97.8 | Very high | 39 Ų | 39 | 23.8 Ų | 23.8 | 18% | 0.182 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -137.2 | 157.2 | -176.6 | -61.7 | -69.8 | -168 | 0 | 0 | 110.1 | E76 R120 F191 | E76-E189 HydrophobicContact CG-CB 4.42Å; R120-E189 IonicContact CZ-OE1 3.88Å; R120-E189 IonicContact NH1-OE1 3.24Å; R120-E189 PolarHBondContact NH1-OE1 3.47Å; R120-E189 IonicContact NH1-OE2 3.95Å; R120-E189 PolarHBondContact NH1-OE2 2.92Å; R120-E189 IonicContact NH2-OE1 2.89Å; R120-E189 PolarHBondContact NH2-OE1 3.05Å; E189-F191 HydrophobicContact CB-CD2 4.13Å; E189-F191 HydrophobicContact CB-CE1 4.41Å; E189-F191 HydrophobicContact CB-CE2 3.69Å; E189-F191 HydrophobicContact CB-CZ 3.81Å; E189-F191 HydrophobicContact CG-CE2 4.33Å; E189-F191 HydrophobicContact CG-CZ 4.17Å; E189-F191 PolarHBondContact O-N 3.1Å |
| 190 | T | 96.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 23% | 0.233 | 13% | 0.134 | C | C | . | . | trans | -91.1 | 71.4 | 176.8 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | E76 V192 N354 Y360 | E76-T190 WeakPolarHBondContact CB-O 3.32Å; T190-V192 PolarHBondContact O-N 3.04Å; T190-N354 HydrophobicContact CG2-CB 4.27Å; T190-N354 WeakPolarHBondContact OG1-CB 3.18Å; T190-N354 PolarHBondContact OG1-ND2 2.94Å; T190-N354 VanDerWaalsContact OG1-ND2 3.11Å; T190-Y360 HydrophobicContact CG2-CD2 4.28Å | ||
| 191 | F | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.022 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 130.8 | 177.9 | -70.5 | -65.7 | 0 | 0 | 0 | 111.9 | E76 K78 H122 W185 L186 E189 C283 | E76-F191 HydrophobicContact CB-CD1 3.86Å; E76-F191 HydrophobicContact CB-CE1 4.15Å; K78-F191 HydrophobicContact CB-CD1 3.84Å; K78-F191 HydrophobicContact CB-CE1 3.69Å; K78-F191 HydrophobicContact CB-CZ 4.38Å; K78-F191 HydrophobicContact CD-CD1 3.76Å; K78-F191 HydrophobicContact CD-CD2 3.91Å; K78-F191 HydrophobicContact CD-CE1 3.9Å; K78-F191 HydrophobicContact CD-CE2 4.01Å; K78-F191 HydrophobicContact CD-CG 3.78Å; K78-F191 HydrophobicContact CD-CZ 4.04Å; K78-F191 HydrophobicContact CG-CD1 3.75Å; K78-F191 HydrophobicContact CG-CE1 4.03Å; K78-F191 HydrophobicContact CG-CG 4.16Å; H122-F191 HydrophobicContact CB-CE1 4.07Å; H122-F191 HydrophobicContact CB-CZ 4.39Å; H122-F191 AromaticContact CD2-CE1 3.65Å; H122-F191 AromaticContact CG-CE1 3.81Å; W185-F191 HydrophobicContact CD2-CE2 4.08Å; W185-F191 HydrophobicContact CD2-CZ 4.25Å; W185-F191 AromaticContact CE2-CE2 3.61Å; W185-F191 AromaticContact CE2-CZ 3.34Å; W185-F191 HydrophobicContact CG-CE2 4.33Å; W185-F191 HydrophobicContact CH2-CZ 4.27Å; W185-F191 HydrophobicContact CZ2-CE1 4.01Å; W185-F191 AromaticContact CZ2-CE2 3.95Å; W185-F191 HydrophobicContact CZ2-CE2 3.95Å; W185-F191 AromaticContact CZ2-CZ 3.33Å; W185-F191 HydrophobicContact CZ2-CZ 3.33Å; W185-F191 AromaticContact NE1-CE2 3.55Å; W185-F191 AromaticContact NE1-CZ 3.31Å; W185-F191 VanDerWaalsContact NE1-CZ 3.31Å; L186-F191 HydrophobicContact CD2-CD2 4.06Å; E189-F191 HydrophobicContact CB-CD2 4.13Å; E189-F191 HydrophobicContact CB-CE1 4.41Å; E189-F191 HydrophobicContact CB-CE2 3.69Å; E189-F191 HydrophobicContact CB-CZ 3.81Å; E189-F191 HydrophobicContact CG-CE2 4.33Å; E189-F191 HydrophobicContact CG-CZ 4.17Å; E189-F191 PolarHBondContact O-N 3.1Å; F191-C283 HydrophobicContact CB-CB 3.97Å; F191-C283 WeakPolarHBondContact O-CB 3.37Å |
| 192 | V | 98.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -47 | -176.6 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | P75 E76 T190 L284 V319 Y360 L362 | P75-V192 HydrophobicContact CB-CB 4.33Å; P75-V192 HydrophobicContact CB-CG2 3.88Å; E76-V192 PolarHBondContact O-N 3.31Å; T190-V192 PolarHBondContact O-N 3.04Å; V192-L284 PolarHBondContact O-N 2.92Å; V192-L284 VanDerWaalsContact O-N 3.11Å; V192-V319 HydrophobicContact CB-CG2 3.85Å; V192-V319 HydrophobicContact CG1-CG2 4.02Å; V192-Y360 HydrophobicContact CG1-CG 4.43Å; V192-Y360 HydrophobicContact CG2-CD1 3.83Å; V192-Y360 HydrophobicContact CG2-CD2 3.84Å; V192-Y360 HydrophobicContact CG2-CE1 4.47Å; V192-Y360 HydrophobicContact CG2-CG 3.49Å; V192-Y360 VanDerWaalsContact CG2-CG 3.49Å; V192-L362 HydrophobicContact CG1-CD1 4.16Å; V192-L362 HydrophobicContact CG1-CD2 3.78Å; V192-L362 HydrophobicContact CG1-CG 3.9Å |
| 193 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 142.2 | -178.8 | -177.3 | 66.6 | 0 | 0 | 0 | 109.8 | F77 K78 L233 L284 Y315 Q318 V319 L362 | F77-L193 WeakPolarHBondContact CA-O 3.48Å; F77-L193 HydrophobicContact CD2-CB 3.94Å; F77-L193 HydrophobicContact CD2-CD2 4.05Å; F77-L193 HydrophobicContact CD2-CG 4.02Å; F77-L193 WeakPolarHBondContact CD2-O 3.22Å; F77-L193 HydrophobicContact CE2-CB 4.32Å; F77-L193 HydrophobicContact CE2-CD2 3.91Å; F77-L193 HydrophobicContact CE2-CG 3.9Å; K78-L193 PolarHBondContact N-O 2.85Å; K78-L193 VanDerWaalsContact N-O 3.08Å; L193-L233 HydrophobicContact CD1-CD1 3.67Å; L193-L233 HydrophobicContact CD1-CD2 3.97Å; L193-L233 HydrophobicContact CD1-CG 4.46Å; L193-L233 HydrophobicContact CD2-CD2 4.23Å; L193-L284 CarbonylContact C-O 3.5Å; L193-L284 WeakPolarHBondContact CA-O 3.49Å; L193-L284 HydrophobicContact CD1-CB 4.28Å; L193-Y315 HydrophobicContact CD1-CE1 4.28Å; L193-Y315 WeakPolarHBondContact CD1-OH 3.18Å; L193-Y315 HydrophobicContact CD2-CD1 4.46Å; L193-Y315 HydrophobicContact CD2-CE1 4.13Å; L193-Y315 WeakPolarHBondContact CD2-O 3.39Å; L193-Y315 HydrophobicContact CG-CE1 4.01Å; L193-Q318 HydrophobicContact CD2-CB 3.88Å; L193-V319 HydrophobicContact CB-CB 4.05Å; L193-V319 HydrophobicContact CB-CG2 3.8Å; L193-V319 HydrophobicContact CD2-CB 4.12Å; L193-L362 HydrophobicContact CB-CD1 4.15Å; L193-L362 HydrophobicContact CD1-CD1 4Å |
| 194 | S | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 159.4 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 112.5 | K78 C283 L284 E285 L286 Y315 | K78-S194 WeakPolarHBondContact CG-OG 3.34Å; K78-S194 VanDerWaalsContact NZ-CB 3.29Å; K78-S194 PolarHBondContact NZ-OG 3.44Å; K78-S194 WeakPolarHBondContact O-CA 3.33Å; K78-S194 PolarHBondContact O-OG 3Å; S194-C283 VanDerWaalsContact CB-SG 3.52Å; S194-L284 PolarHBondContact N-O 3.36Å; S194-E285 VanDerWaalsContact CB-OE2 3.3Å; S194-E285 WeakPolarHBondContact CB-OE2 3.47Å; S194-E285 WeakPolarHBondContact O-CA 3.45Å; S194-E285 PolarHBondContact OG-OE2 2.92Å; S194-L286 PolarHBondContact O-N 3.43Å; S194-Y315 WeakPolarHBondContact O-CE1 3.05Å; S194-Y315 PolarHBondContact O-OH 2.82Å |
| 195 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K78 Y79 V80 L197 L286 L288 Y315 | K78-A195 PolarHBondContact O-N 2.87Å; Y79-A195 WeakPolarHBondContact CA-O 3.29Å; Y79-A195 HydrophobicContact CD1-CB 3.81Å; Y79-A195 WeakPolarHBondContact CD1-O 3.45Å; Y79-A195 HydrophobicContact CE1-CB 3.47Å; Y79-A195 VanDerWaalsContact CE1-CB 3.47Å; V80-A195 PolarHBondContact N-O 3.31Å; A195-L197 HydrophobicContact CB-CD1 4.4Å; A195-L286 CarbonylContact C-O 3.6Å; A195-L286 WeakPolarHBondContact CA-O 3.33Å; A195-L286 HydrophobicContact CB-CB 4.39Å; A195-L288 HydrophobicContact CB-CD1 3.54Å; A195-L288 HydrophobicContact CB-CG 3.87Å; A195-Y315 HydrophobicContact CB-CD1 4.37Å; A195-Y315 HydrophobicContact CB-CE1 3.65Å |
| 196 | N | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.3 | 170 | 72.3 | 71.6 | 0 | 0 | 0 | 109.9 | V80 H198 M273 E285 L286 T287 L288 | V80-N196 HydrophobicContact CB-CB 4.38Å; V80-N196 CarbonylContact O-C 3.54Å; V80-N196 VanDerWaalsContact O-CA 3.24Å; V80-N196 WeakPolarHBondContact O-CA 3.39Å; N196-H198 PolarHBondContact OD1-CD2 3.4Å; N196-H198 PolarHBondContact OD1-NE2 3.1Å; N196-M273 HydrophobicContact CB-CE 3.32Å; N196-E285 PolarHBondContact ND2-OE1 3.41Å; N196-L286 PolarHBondContact N-O 3.09Å; N196-L286 PolarHBondContact ND2-O 3.25Å; N196-T287 PolarHBondContact ND2-OG1 2.97Å; N196-T287 WeakPolarHBondContact O-CA 3.43Å; N196-T287 WeakPolarHBondContact OD1-CG2 3.36Å; N196-T287 PolarHBondContact OD1-OG1 3.23Å; N196-L288 PolarHBondContact O-N 3.18Å |
| 197 | L | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.1 | -168.2 | -77 | 61.7 | 0 | 0 | 0 | 110.7 | Y79 V80 A81 L94 A195 L288 L290 L312 | Y79-L197 HydrophobicContact CD1-CD1 3.43Å; Y79-L197 VanDerWaalsContact CD1-CD1 3.43Å; Y79-L197 HydrophobicContact CE1-CD1 3.82Å; Y79-L197 HydrophobicContact CG-CD1 4.29Å; V80-L197 PolarHBondContact O-N 3.16Å; A81-L197 HydrophobicContact CB-CB 3.91Å; A81-L197 HydrophobicContact CB-CD2 4.46Å; L94-L197 HydrophobicContact CD1-CD2 4.43Å; L94-L197 HydrophobicContact CD2-CD2 3.82Å; L94-L197 HydrophobicContact CG-CD2 3.95Å; A195-L197 HydrophobicContact CB-CD1 4.4Å; L197-L288 HydrophobicContact CD1-CD1 4.27Å; L197-L290 HydrophobicContact CB-CD1 3.85Å; L197-L290 HydrophobicContact CD2-CD1 3.81Å; L197-L290 HydrophobicContact CG-CD1 3.82Å; L197-L312 HydrophobicContact CD2-CD2 4.29Å |
| 198 | H | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 2% | 0.019 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 174 | -173.3 | -79.6 | -93.8 | 0 | 0 | 0 | 112.4 | M83 H84 E87 N196 T287 L288 E289 L290 | M83-H198 WeakPolarHBondContact CG-CE1 3.41Å; M83-H198 WeakPolarHBondContact CG-NE2 3.23Å; M83-H198 PolarHBondContact SD-CE1 3.42Å; M83-H198 PolarHBondContact SD-NE2 3.04Å; H84-H198 AromaticContact CE1-CE1 3.31Å; H84-H198 PolarHBondContact CE1-CE1 3.36Å; H84-H198 AromaticContact CE1-ND1 3.57Å; H84-H198 AromaticContact ND1-CE1 3.33Å; H84-H198 PolarHBondContact ND1-CE1 2.96Å; H84-H198 VanDerWaalsContact ND1-CE1 3.33Å; H84-H198 AromaticContact ND1-ND1 3.26Å; H84-H198 PolarHBondContact ND1-ND1 3.32Å; E87-H198 WeakPolarHBondContact OE2-CB 3.31Å; E87-H198 IonicContact OE2-CE1 2.88Å; E87-H198 IonicContact OE2-CG 3.06Å; E87-H198 IonicContact OE2-ND1 3.55Å; E87-H198 PolarHBondContact OE2-ND1 3.27Å; N196-H198 PolarHBondContact OD1-CD2 3.4Å; N196-H198 PolarHBondContact OD1-NE2 3.1Å; H198-T287 HydrophobicContact CB-CG2 4.45Å; H198-L288 PolarHBondContact N-O 2.89Å; H198-E289 VanDerWaalsContact CB-CD 3.42Å; H198-E289 HydrophobicContact CB-CG 4.37Å; H198-E289 WeakPolarHBondContact CB-OE1 3.37Å; H198-E289 VanDerWaalsContact CB-OE2 3.31Å; H198-E289 WeakPolarHBondContact CB-OE2 3.18Å; H198-L290 PolarHBondContact O-N 3.03Å |
| 199 | G | 96.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 8.9 Ų | 8.9 | 3% | 0.031 | 5% | 0.051 | C | C | . | . | trans | -145.2 | 158.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E87 E289 | E87-G199 VanDerWaalsContact CG-O 3.3Å; E87-G199 WeakPolarHBondContact CG-O 3.39Å; E87-G199 PolarHBondContact OE2-N 3.05Å; G199-E289 WeakPolarHBondContact CA-OE2 2.91Å; G199-E289 PolarHBondContact N-OE2 2.84Å | ||
| 200 | G | 94.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 7.1 Ų | 7.1 | 21% | 0.206 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 121.1 | -12.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | S291 C292 | G200-S291 PolarHBondContact N-O 3.41Å; G200-C292 WeakPolarHBondContact CA-O 3.36Å |
| 201 | A | 95.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.008 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | -176.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V203 W266 E289 S291 | A201-V203 HydrophobicContact CB-CG1 4.29Å; A201-W266 HydrophobicContact CB-CH2 3.77Å; A201-W266 HydrophobicContact CB-CZ2 3.87Å; A201-E289 HydrophobicContact CB-CB 3.89Å; A201-E289 HydrophobicContact CB-CG 4.05Å; A201-E289 CarbonylContact O-C 3.2Å; A201-E289 WeakPolarHBondContact O-CB 3.42Å; A201-S291 PolarHBondContact N-O 2.82Å; A201-S291 CarbonylContact O-C 3.57Å; A201-S291 PolarHBondContact O-N 2.99Å; A201-S291 VanDerWaalsContact O-N 3.15Å; A201-S291 VanDerWaalsContact O-O 3.09Å |
| 202 | M | 96.2 | Very high | 95.8 | Very high | 24 Ų | 24 | 9.7 Ų | 9.7 | 12% | 0.118 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 85.6 | 172.3 | -161.9 | 176.4 | -60.8 | 0 | 0 | 111 | M244 L249 E289 | M202-M244 HydrophobicContact CG-CB 4.38Å; M202-M244 HydrophobicContact CG-CE 4.2Å; M202-M244 HydrophobicContact CG-CG 4.33Å; M202-L249 HydrophobicContact CB-CB 4.26Å; M202-L249 HydrophobicContact CB-CD1 4.25Å; M202-L249 HydrophobicContact CG-CD1 3.93Å; M202-L249 HydrophobicContact SD-CB 4.14Å; M202-L249 HydrophobicContact SD-CD1 3.23Å; M202-L249 WeakPolarHBondContact SD-CD1 3.44Å; M202-L249 HydrophobicContact SD-CG 4.22Å; M202-E289 WeakPolarHBondContact CA-O 3.22Å |
| 203 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 147.5 | -173.2 | 63 | 0 | 0 | 0 | 0 | 111.1 | A201 F256 T261 W266 E289 | A201-V203 HydrophobicContact CB-CG1 4.29Å; V203-F256 HydrophobicContact CB-CB 4.36Å; V203-F256 HydrophobicContact CB-CD1 4.34Å; V203-F256 HydrophobicContact CB-CD2 3.58Å; V203-F256 HydrophobicContact CB-CE2 3.8Å; V203-F256 HydrophobicContact CB-CG 3.85Å; V203-F256 HydrophobicContact CB-CZ 4.29Å; V203-F256 HydrophobicContact CG1-CD2 4.12Å; V203-F256 HydrophobicContact CG1-CE1 4.39Å; V203-F256 HydrophobicContact CG1-CE2 3.79Å; V203-F256 HydrophobicContact CG1-CZ 3.94Å; V203-F256 HydrophobicContact CG2-CB 3.8Å; V203-F256 HydrophobicContact CG2-CD1 3.78Å; V203-F256 HydrophobicContact CG2-CD2 3.84Å; V203-F256 HydrophobicContact CG2-CE1 4.27Å; V203-F256 HydrophobicContact CG2-CE2 4.3Å; V203-F256 HydrophobicContact CG2-CG 3.54Å; V203-F256 HydrophobicContact CG2-CZ 4.5Å; V203-T261 HydrophobicContact CG1-CG2 4.35Å; V203-T261 HydrophobicContact CG2-CG2 3.7Å; V203-W266 HydrophobicContact CG1-CE3 4.42Å; V203-W266 HydrophobicContact CG1-CH2 4.3Å; V203-W266 HydrophobicContact CG1-CZ3 4.07Å; V203-E289 HydrophobicContact CG1-CB 3.99Å; V203-E289 HydrophobicContact CG1-CG 4.06Å; V203-E289 PolarHBondContact N-O 3.04Å; V203-E289 VanDerWaalsContact N-O 3.14Å; V203-E289 WeakPolarHBondContact O-CB 2.82Å; V203-E289 PolarHBondContact O-N 2.91Å |
| 204 | A | 98.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 106.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A234 M244 G259 I260 T261 L288 | A204-A234 HydrophobicContact CB-CB 3.91Å; A204-M244 HydrophobicContact CB-SD 4.15Å; A204-G259 PolarHBondContact N-O 3.17Å; A204-I260 HydrophobicContact CB-CG2 4.33Å; A204-I260 VanDerWaalsContact O-CA 3.29Å; A204-I260 WeakPolarHBondContact O-CA 3.41Å; A204-T261 PolarHBondContact O-N 3.35Å; A204-L288 HydrophobicContact CB-CD2 3.81Å |
| 205 | S | 98.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.2 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | T261 G263 Q274 T287 | S205-T261 CarbonylContact C-O 3.51Å; S205-T261 VanDerWaalsContact CA-O 3.28Å; S205-T261 WeakPolarHBondContact CA-O 3.04Å; S205-G263 WeakPolarHBondContact OG-CA 3.28Å; S205-Q274 PolarHBondContact O-OE1 3.47Å; S205-Q274 VanDerWaalsContact O-OE1 3.11Å; S205-T287 PolarHBondContact N-O 3.27Å; S205-T287 PolarHBondContact O-N 3.34Å |
| 206 | Y | 98.8 | Very high | 87.2 | Confident | 28 Ų | 28 | 26 Ų | 26 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 155.6 | -178 | 61.3 | -93.8 | 0 | 0 | 0 | 113.1 | F230 V231 A234 I260 T261 N262 G263 | Y206-F230 HydrophobicContact CD2-CB 4.04Å; Y206-F230 HydrophobicContact CG-CB 4.24Å; Y206-V231 HydrophobicContact CE1-CG2 4.17Å; Y206-V231 HydrophobicContact CE2-CG2 3.84Å; Y206-A234 HydrophobicContact CD1-CB 3.95Å; Y206-I260 HydrophobicContact CE1-CB 4.25Å; Y206-I260 HydrophobicContact CE1-CD1 4.01Å; Y206-I260 HydrophobicContact CE1-CG1 4.31Å; Y206-T261 VanDerWaalsContact CD1-C 3.49Å; Y206-T261 WeakPolarHBondContact CD1-O 3.44Å; Y206-T261 WeakPolarHBondContact CE1-O 3.36Å; Y206-T261 PolarHBondContact N-O 2.83Å; Y206-N262 HydrophobicContact CD2-CB 4.43Å; Y206-N262 HydrophobicContact CE2-CB 3.77Å; Y206-G263 PolarHBondContact O-N 2.84Å |
| 207 | P | 98.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -55.8 | 155 | -178.6 | -32.4 | 38.4 | 0 | 0 | 0 | 116 | A224 F230 N262 Q274 E285 | P207-A224 HydrophobicContact CB-CB 4.47Å; P207-F230 HydrophobicContact CB-CD2 4.45Å; P207-F230 HydrophobicContact CB-CE2 4.08Å; P207-F230 HydrophobicContact CB-CZ 4.11Å; P207-F230 HydrophobicContact CG-CD1 4.17Å; P207-F230 HydrophobicContact CG-CE1 3.65Å; P207-F230 HydrophobicContact CG-CE2 4.06Å; P207-F230 HydrophobicContact CG-CZ 3.58Å; P207-N262 PolarHBondContact O-ND2 2.93Å; P207-N262 VanDerWaalsContact O-ND2 3.08Å; P207-Q274 HydrophobicContact CG-CG 3.83Å; P207-E285 WeakPolarHBondContact CD-O 2.97Å |
| 208 | Y | 96.9 | Very high | 82.3 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | cis | -86.5 | 150.8 | -7 | -66.8 | -74 | 0 | 0 | 0 | 112.6 | F161 N210 S222 A224 N262 Y264 D275 Y278 V279 M348 | F161-Y208 AromaticContact CE2-CD1 3.93Å; F161-Y208 HydrophobicContact CE2-CD1 3.93Å; F161-Y208 HydrophobicContact CE2-CE1 4.48Å; F161-Y208 AromaticContact CE2-CG 3.99Å; F161-Y208 HydrophobicContact CE2-CG 3.99Å; F161-Y208 AromaticContact CZ-CD1 3.93Å; F161-Y208 HydrophobicContact CZ-CD1 3.93Å; F161-Y208 AromaticContact CZ-CD2 3.87Å; F161-Y208 HydrophobicContact CZ-CD2 3.87Å; F161-Y208 HydrophobicContact CZ-CE1 4.33Å; F161-Y208 HydrophobicContact CZ-CE2 4.24Å; F161-Y208 AromaticContact CZ-CG 3.68Å; F161-Y208 HydrophobicContact CZ-CG 3.68Å; Y208-N210 WeakPolarHBondContact CB-O 3.37Å; Y208-S222 PolarHBondContact N-O 3.28Å; Y208-A224 HydrophobicContact CD2-CB 4.08Å; Y208-A224 VanDerWaalsContact CE2-CA 3.49Å; Y208-A224 HydrophobicContact CE2-CB 3.83Å; Y208-N262 PolarHBondContact N-ND2 3.21Å; Y208-Y264 WeakPolarHBondContact O-CB 3.49Å; Y208-Y264 PolarHBondContact O-N 3.18Å; Y208-D275 WeakPolarHBondContact CA-OD1 3.48Å; Y208-D275 HydrophobicContact CD1-CB 4.41Å; Y208-Y278 HydrophobicContact CD1-CD1 4.5Å; Y208-Y278 AromaticContact CE1-CD1 3.6Å; Y208-Y278 HydrophobicContact CE1-CD1 3.6Å; Y208-Y278 AromaticContact CE1-CE1 3.9Å; Y208-Y278 HydrophobicContact CE1-CE1 3.9Å; Y208-Y278 AromaticContact CZ-CD1 3.9Å; Y208-Y278 AromaticContact CZ-CE1 3.68Å; Y208-Y278 WeakPolarHBondContact OH-CE1 3.36Å; Y208-V279 HydrophobicContact CE1-CG2 3.95Å; Y208-M348 HydrophobicContact CE1-CE 4.49Å; Y208-M348 HydrophobicContact CE2-CE 4.3Å | ||
| 209 | D | 95.5 | Very high | 80.3 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -81.1 | -21.8 | 172.3 | -78.9 | -14.3 | 0 | 0 | 0 | 112.3 | G263 L269 Q274 D275 | D209-G263 WeakPolarHBondContact OD1-CA 3.41Å; D209-L269 CarbonylContact C-O 3.48Å; D209-L269 HydrophobicContact CB-CB 4.03Å; D209-L269 HydrophobicContact CB-CD2 4.02Å; D209-L269 HydrophobicContact CB-CG 4.45Å; D209-L269 PolarHBondContact O-N 2.63Å; D209-Q274 PolarHBondContact OD1-NE2 2.83Å; D209-Q274 PolarHBondContact OD2-NE2 2.77Å; D209-Q274 VanDerWaalsContact OD2-NE2 3.16Å; D209-D275 PolarHBondContact N-OD1 2.8Å; D209-D275 VanDerWaalsContact N-OD1 3.07Å; D209-D275 PolarHBondContact N-OD2 2.93Å |
| 210 | N | 91.8 | Very high | 79.2 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | trans | -127.9 | 171.3 | 179.7 | -156.6 | 0.4 | 0 | 0 | 0 | 112.9 | D159 F161 Y208 S222 K268 L269 D275 | D159-N210 VanDerWaalsContact CG-ND2 3.25Å; D159-N210 PolarHBondContact OD1-ND2 2.93Å; D159-N210 PolarHBondContact OD2-ND2 3.2Å; F161-N210 HydrophobicContact CB-CB 4.5Å; F161-N210 HydrophobicContact CD2-CB 3.62Å; F161-N210 HydrophobicContact CE2-CB 4.1Å; F161-N210 WeakPolarHBondContact CE2-O 3.36Å; F161-N210 HydrophobicContact CG-CB 4.3Å; F161-N210 WeakPolarHBondContact CZ-O 3.32Å; Y208-N210 WeakPolarHBondContact CB-O 3.37Å; N210-S222 VanDerWaalsContact O-CB 3.22Å; N210-S222 WeakPolarHBondContact O-CB 3.19Å; N210-S222 PolarHBondContact O-OG 3.09Å; N210-K268 WeakPolarHBondContact OD1-CE 3.21Å; N210-L269 WeakPolarHBondContact CB-O 3.12Å; N210-D275 PolarHBondContact N-OD2 3.49Å | ||
| 211 | S | 86.4 | Confident | 78.8 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | trans | -149.6 | 153.7 | 178.7 | -170.1 | 0 | 0 | 0 | 0 | 112.7 | Q213 Y264 | S211-Q213 VanDerWaalsContact C-N 3.32Å; S211-Q213 PolarHBondContact OG-N 3.39Å; S211-Y264 VanDerWaalsContact CB-CZ 3.45Å | ||
| 212 | D | 74 | Confident | 78.7 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 49% | 0.492 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -83.9 | -5.4 | 171.5 | 68.2 | -17.1 | 0 | 0 | 0 | 113.1 | F161 L164 R165 G214 | F161-D212 HydrophobicContact CD1-CB 4.03Å; F161-D212 VanDerWaalsContact CD1-N 3.29Å; L164-D212 HydrophobicContact CD1-CB 4.1Å; R165-D212 PolarHBondContact NH2-O 2.79Å; D212-G214 PolarHBondContact O-N 3.28Å |
| 213 | Q | 64.6 | Low | 78.6 | Confident | 97 Ų | 97 | 56 Ų | 56 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | trans | -72 | 127.8 | 178.2 | -61.2 | -167.3 | 17.9 | 0 | 0 | 111.1 | R165 S211 S215 | R165-Q213 PolarHBondContact NH2-O 3.18Å; S211-Q213 VanDerWaalsContact C-N 3.32Å; S211-Q213 PolarHBondContact OG-N 3.39Å; Q213-S215 PolarHBondContact O-N 2.87Å | ||
| 214 | G | 50.9 | Low | 78.5 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 75% | 0.753 | 31% | 0.313 | S | S | * | . | trans | -83.3 | 4.1 | -163 | 0 | 0 | 0 | 0 | 0 | 116.7 | D212 | D212-G214 PolarHBondContact O-N 3.28Š| ||
| 215 | S | 48.6 | Very low | 78.4 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | trans | -131.3 | 120.6 | -174.8 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | Q213 W217 M218 | Q213-S215 PolarHBondContact O-N 2.87Å; S215-W217 PolarHBondContact O-N 2.89Å; S215-M218 PolarHBondContact O-N 3.01Å | ||
| 216 | V | 52.2 | Low | 78.4 | Confident | 127 Ų | 127 | 57.8 Ų | 57.8 | 77% | 0.77 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -12.6 | 168.4 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 217 | W | 46.7 | Very low | 78.4 | Confident | 231 Ų | 231 | 58.2 Ų | 58.2 | 88% | 0.875 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -0.6 | -170.8 | -55.6 | 115.9 | 0 | 0 | 0 | 115.6 | S215 | S215-W217 PolarHBondContact O-N 2.89Š|
| 218 | M | 47.3 | Very low | 78.4 | Confident | 127 Ų | 127 | 61.1 Ų | 61.1 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | trans | -125.3 | 102.1 | 172.8 | -107.1 | 175.7 | 153.3 | 0 | 0 | 109.2 | S215 S220 | S215-M218 PolarHBondContact O-N 3.01Å; M218-S220 PolarHBondContact O-N 2.9Å | ||
| 219 | V | 57.4 | Low | 78.5 | Confident | 119 Ų | 119 | 60.8 Ų | 60.8 | 72% | 0.721 | 34% | 0.342 | S | S | * | . | trans | -74.7 | 63.7 | 175.5 | -170 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 220 | S | 72.5 | Confident | 78.7 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | trans | -94.6 | 135.6 | 169 | -66.6 | 0 | 0 | 0 | 0 | 108.8 | M218 Y264 | M218-S220 PolarHBondContact O-N 2.9Å; S220-Y264 WeakPolarHBondContact O-CD1 3.25Å | ||
| 221 | P | 86.1 | Confident | 79 | Confident | 58 Ų | 58 | 62 Ų | 62 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | trans | -59.8 | 145.7 | 177.3 | 25.5 | -34.3 | 0 | 0 | 0 | 111.2 | I223 N262 S265 | P221-I223 HydrophobicContact CB-CD1 3.6Å; P221-I223 HydrophobicContact CB-CG1 4.17Å; P221-I223 HydrophobicContact CG-CD1 3.65Å; P221-I223 HydrophobicContact CG-CG1 4.03Å; P221-I223 PolarHBondContact O-N 3.24Å; P221-N262 HydrophobicContact CB-CB 4.19Å; P221-S265 VanDerWaalsContact CA-OG 3.26Å; P221-S265 WeakPolarHBondContact CA-OG 3.4Å; P221-S265 WeakPolarHBondContact CB-OG 3.36Å | ||
| 222 | S | 93 | Very high | 79.6 | Confident | 8 Ų | 8 | 64 Ų | 64 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | trans | -89.5 | 93.3 | 172.5 | -166.1 | 0 | 0 | 0 | 0 | 108.6 | Y208 N210 N262 | Y208-S222 PolarHBondContact N-O 3.28Å; N210-S222 VanDerWaalsContact O-CB 3.22Å; N210-S222 WeakPolarHBondContact O-CB 3.19Å; N210-S222 PolarHBondContact O-OG 3.09Å; S222-N262 PolarHBondContact N-OD1 2.73Å; S222-N262 VanDerWaalsContact N-OD1 3.1Å; S222-N262 PolarHBondContact O-ND2 2.94Å | ||
| 223 | I | 94.3 | Very high | 80.8 | Confident | 92 Ų | 92 | 59.6 Ų | 59.6 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | trans | -82.2 | 125.4 | -166.8 | -60.2 | -63.6 | 0 | 0 | 0 | 111.6 | P221 D227 | P221-I223 HydrophobicContact CB-CD1 3.6Å; P221-I223 HydrophobicContact CB-CG1 4.17Å; P221-I223 HydrophobicContact CG-CD1 3.65Å; P221-I223 HydrophobicContact CG-CG1 4.03Å; P221-I223 PolarHBondContact O-N 3.24Å; I223-D227 HydrophobicContact CG2-CB 3.75Å | ||
| 224 | A | 95.8 | Very high | 82.4 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | trans | -78.8 | 151.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P207 Y208 D226 D227 F230 Y278 | P207-A224 HydrophobicContact CB-CB 4.47Å; Y208-A224 HydrophobicContact CD2-CB 4.08Å; Y208-A224 VanDerWaalsContact CE2-CA 3.49Å; Y208-A224 HydrophobicContact CE2-CB 3.83Å; A224-D226 PolarHBondContact O-N 2.8Å; A224-D226 VanDerWaalsContact O-N 3.09Å; A224-D227 VanDerWaalsContact O-CB 3.24Å; A224-D227 WeakPolarHBondContact O-CB 3.34Å; A224-D227 PolarHBondContact O-N 2.72Å; A224-F230 HydrophobicContact CB-CD2 3.92Å; A224-F230 HydrophobicContact CB-CE2 3.92Å; A224-Y278 HydrophobicContact CB-CE1 3.81Å | ||
| 225 | P | 97.1 | Very high | 84.7 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 24% | 0.24 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.1 | 171.7 | -29.3 | 36.1 | 0 | 0 | 0 | 114.7 | Y278 R345 R346 | P225-Y278 WeakPolarHBondContact CD-OH 3.34Å; P225-R345 HydrophobicContact CB-CB 4.36Å; P225-R346 WeakPolarHBondContact CG-O 3.26Å |
| 226 | D | 98.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 26.2 | 178.1 | -69.7 | -72.5 | 0 | 0 | 0 | 112.3 | A224 D228 V229 F230 Y278 L284 R345 N347 R361 | A224-D226 PolarHBondContact O-N 2.8Å; A224-D226 VanDerWaalsContact O-N 3.09Å; D226-D228 VanDerWaalsContact C-N 3.33Å; D226-D228 PolarHBondContact O-N 3.04Å; D226-V229 WeakPolarHBondContact O-CB 3.07Å; D226-V229 PolarHBondContact O-N 3.48Å; D226-F230 HydrophobicContact CB-CD2 4.28Å; D226-F230 HydrophobicContact CB-CE2 4.22Å; D226-F230 WeakPolarHBondContact O-CD2 3.46Å; D226-F230 PolarHBondContact O-N 3.17Å; D226-Y278 HydrophobicContact CB-CE2 4.18Å; D226-Y278 WeakPolarHBondContact CB-OH 3.3Å; D226-Y278 PolarHBondContact N-OH 2.78Å; D226-Y278 PolarHBondContact OD2-OH 3.14Å; D226-L284 HydrophobicContact CB-CD2 4.4Å; D226-R345 WeakPolarHBondContact OD1-CD 3.33Å; D226-R345 IonicContact OD1-CZ 2.78Å; D226-R345 IonicContact OD1-NE 3.32Å; D226-R345 IonicContact OD1-NH1 2.78Å; D226-R345 PolarHBondContact OD1-NH1 2.87Å; D226-N347 PolarHBondContact OD2-ND2 2.86Å; D226-N347 VanDerWaalsContact OD2-ND2 3.09Å; D226-R361 VanDerWaalsContact CG-NH2 3.3Å; D226-R361 IonicContact OD1-CZ 3.52Å; D226-R361 IonicContact OD1-NH2 3.78Å; D226-R361 PolarHBondContact OD1-NH2 2.84Å; D226-R361 IonicContact OD2-CZ 4Å; D226-R361 IonicContact OD2-NH1 3.51Å; D226-R361 IonicContact OD2-NH2 2.7Å; D226-R361 PolarHBondContact OD2-NH2 2.93Å |
| 227 | D | 98.5 | Very high | 89.3 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.6 | -42 | -176.4 | -176.9 | 79.5 | 0 | 0 | 0 | 114 | I223 A224 V229 F230 V231 | I223-D227 HydrophobicContact CG2-CB 3.75Å; A224-D227 VanDerWaalsContact O-CB 3.24Å; A224-D227 WeakPolarHBondContact O-CB 3.34Å; A224-D227 PolarHBondContact O-N 2.72Å; D227-V229 VanDerWaalsContact C-N 3.3Å; D227-V229 PolarHBondContact O-N 3.08Å; D227-F230 PolarHBondContact O-N 3.34Å; D227-F230 VanDerWaalsContact O-N 3.17Å; D227-V231 WeakPolarHBondContact O-CB 3.49Å; D227-V231 VanDerWaalsContact O-CG2 3.31Å; D227-V231 WeakPolarHBondContact O-CG2 3.5Å; D227-V231 PolarHBondContact O-N 3.01Å |
| 228 | D | 98.7 | Very high | 91.8 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 33% | 0.326 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 177 | 64.4 | -31.4 | 0 | 0 | 0 | 112.5 | D226 H232 R345 L364 | D226-D228 VanDerWaalsContact C-N 3.33Å; D226-D228 PolarHBondContact O-N 3.04Å; D228-H232 WeakPolarHBondContact O-CB 3.32Å; D228-H232 PolarHBondContact O-N 3.1Å; D228-R345 IonicContact OD1-CZ 2.87Å; D228-R345 VanDerWaalsContact OD1-CZ 3.28Å; D228-R345 IonicContact OD1-NH1 3.21Å; D228-R345 PolarHBondContact OD1-NH1 3.4Å; D228-R345 IonicContact OD1-NH2 3.77Å; D228-R345 PolarHBondContact OD1-NH2 3.2Å; D228-R345 IonicContact OD2-CZ 2.79Å; D228-R345 IonicContact OD2-NH1 3.07Å; D228-R345 IonicContact OD2-NH2 3.58Å; D228-R345 PolarHBondContact OD2-NH2 2.86Å; D228-L364 HydrophobicContact CB-CD1 4.2Å |
| 229 | V | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.1 | -44.2 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | D226 D227 H232 L233 L284 L362 L364 | D226-V229 WeakPolarHBondContact O-CB 3.07Å; D226-V229 PolarHBondContact O-N 3.48Å; D227-V229 VanDerWaalsContact C-N 3.3Å; D227-V229 PolarHBondContact O-N 3.08Å; V229-H232 WeakPolarHBondContact O-CB 3.24Å; V229-H232 PolarHBondContact O-N 3.14Å; V229-L233 HydrophobicContact CG1-CD1 3.88Å; V229-L233 HydrophobicContact CG1-CG 4.18Å; V229-L233 WeakPolarHBondContact O-CB 3.44Å; V229-L233 WeakPolarHBondContact O-CG 3.43Å; V229-L233 PolarHBondContact O-N 2.85Å; V229-L284 HydrophobicContact CB-CD2 4.4Å; V229-L284 HydrophobicContact CG1-CD2 3.79Å; V229-L362 HydrophobicContact CG1-CB 4.09Å; V229-L364 HydrophobicContact CG2-CG 4.15Å |
| 230 | F | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 177.4 | -82.6 | -58.4 | 0 | 0 | 0 | 113 | Y206 P207 A224 D226 D227 H232 L233 A234 Y278 L284 L286 | Y206-F230 HydrophobicContact CD2-CB 4.04Å; Y206-F230 HydrophobicContact CG-CB 4.24Å; P207-F230 HydrophobicContact CB-CD2 4.45Å; P207-F230 HydrophobicContact CB-CE2 4.08Å; P207-F230 HydrophobicContact CB-CZ 4.11Å; P207-F230 HydrophobicContact CG-CD1 4.17Å; P207-F230 HydrophobicContact CG-CE1 3.65Å; P207-F230 HydrophobicContact CG-CE2 4.06Å; P207-F230 HydrophobicContact CG-CZ 3.58Å; A224-F230 HydrophobicContact CB-CD2 3.92Å; A224-F230 HydrophobicContact CB-CE2 3.92Å; D226-F230 HydrophobicContact CB-CD2 4.28Å; D226-F230 HydrophobicContact CB-CE2 4.22Å; D226-F230 WeakPolarHBondContact O-CD2 3.46Å; D226-F230 PolarHBondContact O-N 3.17Å; D227-F230 PolarHBondContact O-N 3.34Å; D227-F230 VanDerWaalsContact O-N 3.17Å; F230-H232 VanDerWaalsContact C-N 3.34Å; F230-H232 PolarHBondContact O-N 3.07Å; F230-L233 PolarHBondContact O-N 3.39Å; F230-A234 WeakPolarHBondContact O-CB 3.32Å; F230-A234 PolarHBondContact O-N 3.32Å; F230-Y278 HydrophobicContact CE2-CD1 4.17Å; F230-Y278 AromaticContact CE2-CD2 3.99Å; F230-Y278 HydrophobicContact CE2-CD2 3.99Å; F230-Y278 HydrophobicContact CE2-CE1 4.02Å; F230-Y278 AromaticContact CE2-CE2 3.84Å; F230-Y278 HydrophobicContact CE2-CE2 3.84Å; F230-Y278 HydrophobicContact CE2-CG 4.14Å; F230-Y278 AromaticContact CE2-CZ 3.84Å; F230-Y278 HydrophobicContact CZ-CD1 4.28Å; F230-Y278 AromaticContact CZ-CD2 3.74Å; F230-Y278 HydrophobicContact CZ-CD2 3.74Å; F230-Y278 HydrophobicContact CZ-CE2 4.05Å; F230-Y278 AromaticContact CZ-CG 3.86Å; F230-Y278 HydrophobicContact CZ-CG 3.86Å; F230-L284 HydrophobicContact CD1-CD2 4.45Å; F230-L284 HydrophobicContact CE1-CB 3.73Å; F230-L284 HydrophobicContact CE1-CD2 4.08Å; F230-L284 HydrophobicContact CE1-CG 3.86Å; F230-L284 HydrophobicContact CE2-CD2 4.32Å; F230-L284 HydrophobicContact CE2-CG 4.3Å; F230-L284 HydrophobicContact CZ-CB 3.97Å; F230-L284 HydrophobicContact CZ-CD2 4.01Å; F230-L284 HydrophobicContact CZ-CG 3.63Å; F230-L286 HydrophobicContact CD1-CD2 3.77Å; F230-L286 HydrophobicContact CE1-CD2 4.41Å |
| 231 | V | 98.9 | Very high | 97.5 | Very high | 32 Ų | 32 | 29.9 Ų | 29.9 | 19% | 0.194 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | Y206 D227 A234 K235 I260 | Y206-V231 HydrophobicContact CE1-CG2 4.17Å; Y206-V231 HydrophobicContact CE2-CG2 3.84Å; D227-V231 WeakPolarHBondContact O-CB 3.49Å; D227-V231 VanDerWaalsContact O-CG2 3.31Å; D227-V231 WeakPolarHBondContact O-CG2 3.5Å; D227-V231 PolarHBondContact O-N 3.01Å; V231-A234 PolarHBondContact O-N 3.1Å; V231-K235 HydrophobicContact CG1-CD 4.36Å; V231-K235 WeakPolarHBondContact O-CB 3.21Å; V231-K235 WeakPolarHBondContact O-CG 3.32Å; V231-K235 PolarHBondContact O-N 2.9Å; V231-I260 HydrophobicContact CG1-CD1 3.94Å |
| 232 | H | 98.9 | Very high | 98 | Very high | 47 Ų | 47 | 29.6 Ų | 29.6 | 22% | 0.218 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.4 | -50 | 174.9 | 171.1 | 85.8 | 0 | 0 | 0 | 111.9 | D228 V229 F230 A234 K235 V236 Q318 L364 | D228-H232 WeakPolarHBondContact O-CB 3.32Å; D228-H232 PolarHBondContact O-N 3.1Å; V229-H232 WeakPolarHBondContact O-CB 3.24Å; V229-H232 PolarHBondContact O-N 3.14Å; F230-H232 VanDerWaalsContact C-N 3.34Å; F230-H232 PolarHBondContact O-N 3.07Å; H232-A234 VanDerWaalsContact C-N 3.32Å; H232-A234 PolarHBondContact O-N 2.54Å; H232-K235 PolarHBondContact O-N 3.21Å; H232-V236 WeakPolarHBondContact O-CG2 3.39Å; H232-V236 PolarHBondContact O-N 2.86Å; H232-Q318 PolarHBondContact NE2-OE1 3.21Å; H232-L364 HydrophobicContact CB-CD1 4.18Å; H232-L364 HydrophobicContact CB-CD2 3.64Å; H232-L364 HydrophobicContact CB-CG 4.49Å; H232-L364 VanDerWaalsContact CG-CD2 3.45Å |
| 233 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 178.8 | -73 | 172.9 | 0 | 0 | 0 | 111.6 | L193 V229 F230 V236 Y237 L284 L286 Y315 Q318 L321 | L193-L233 HydrophobicContact CD1-CD1 3.67Å; L193-L233 HydrophobicContact CD1-CD2 3.97Å; L193-L233 HydrophobicContact CD1-CG 4.46Å; L193-L233 HydrophobicContact CD2-CD2 4.23Å; V229-L233 HydrophobicContact CG1-CD1 3.88Å; V229-L233 HydrophobicContact CG1-CG 4.18Å; V229-L233 WeakPolarHBondContact O-CB 3.44Å; V229-L233 WeakPolarHBondContact O-CG 3.43Å; V229-L233 PolarHBondContact O-N 2.85Å; F230-L233 PolarHBondContact O-N 3.39Å; L233-V236 PolarHBondContact O-N 2.93Å; L233-Y237 PolarHBondContact O-N 3.11Å; L233-L284 HydrophobicContact CD1-CB 4.41Å; L233-L284 HydrophobicContact CD1-CD2 4.14Å; L233-L286 HydrophobicContact CB-CD1 3.98Å; L233-Y315 HydrophobicContact CB-CE2 4.06Å; L233-Y315 HydrophobicContact CD2-CE2 4.28Å; L233-Q318 HydrophobicContact CD2-CB 3.39Å; L233-Q318 HydrophobicContact CD2-CG 3.89Å; L233-L321 HydrophobicContact CD2-CD1 4.15Å |
| 234 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A204 Y206 F230 V231 H232 Y237 S238 I260 L286 | A204-A234 HydrophobicContact CB-CB 3.91Å; Y206-A234 HydrophobicContact CD1-CB 3.95Å; F230-A234 WeakPolarHBondContact O-CB 3.32Å; F230-A234 PolarHBondContact O-N 3.32Å; V231-A234 PolarHBondContact O-N 3.1Å; H232-A234 VanDerWaalsContact C-N 3.32Å; H232-A234 PolarHBondContact O-N 2.54Å; A234-Y237 PolarHBondContact O-N 2.78Å; A234-S238 WeakPolarHBondContact O-CB 3.38Å; A234-S238 PolarHBondContact O-N 2.98Å; A234-I260 HydrophobicContact CB-CB 4.03Å; A234-I260 HydrophobicContact CB-CG2 3.58Å; A234-L286 HydrophobicContact CB-CD1 3.96Å |
| 235 | K | 98.9 | Very high | 98.5 | Very high | 70 Ų | 70 | 28.6 Ų | 28.6 | 30% | 0.304 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 174.9 | -71.7 | -169.2 | -173.6 | -154 | 0 | 112.1 | V231 H232 Y237 S238 Y239 D258 I260 | V231-K235 HydrophobicContact CG1-CD 4.36Å; V231-K235 WeakPolarHBondContact O-CB 3.21Å; V231-K235 WeakPolarHBondContact O-CG 3.32Å; V231-K235 PolarHBondContact O-N 2.9Å; H232-K235 PolarHBondContact O-N 3.21Å; K235-Y237 VanDerWaalsContact C-N 3.28Å; K235-Y237 PolarHBondContact O-N 3.36Å; K235-S238 PolarHBondContact O-N 2.77Å; K235-Y239 HydrophobicContact CB-CD2 3.96Å; K235-Y239 HydrophobicContact CB-CE2 4.18Å; K235-Y239 HydrophobicContact CD-CE2 4.15Å; K235-Y239 HydrophobicContact CG-CD2 4.37Å; K235-Y239 HydrophobicContact CG-CE2 4.11Å; K235-Y239 WeakPolarHBondContact O-CB 3.48Å; K235-Y239 WeakPolarHBondContact O-CD2 3.33Å; K235-Y239 PolarHBondContact O-N 2.73Å; K235-D258 WeakPolarHBondContact CE-OD2 3.31Å; K235-D258 IonicContact NZ-OD2 2.73Å; K235-D258 PolarHBondContact NZ-OD2 3.19Å; K235-I260 HydrophobicContact CD-CD1 4.44Å; K235-I260 HydrophobicContact CG-CD1 3.9Å; K235-I260 HydrophobicContact CG-CG2 4.15Å |
| 236 | V | 98.9 | Very high | 98.4 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.7 | -45.4 | 176.2 | 167.3 | 0 | 0 | 0 | 0 | 110.5 | H232 L233 N240 A314 Q318 | H232-V236 WeakPolarHBondContact O-CG2 3.39Å; H232-V236 PolarHBondContact O-N 2.86Å; L233-V236 PolarHBondContact O-N 2.93Å; V236-N240 WeakPolarHBondContact O-CB 3.3Å; V236-N240 PolarHBondContact O-N 2.75Å; V236-N240 PolarHBondContact O-ND2 2.82Å; V236-A314 HydrophobicContact CG1-CB 4.13Å; V236-Q318 HydrophobicContact CB-CG 4.26Å; V236-Q318 HydrophobicContact CG1-CG 3.79Å; V236-Q318 HydrophobicContact CG2-CG 4.19Å |
| 237 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.4 | -54.3 | 175.8 | -163.8 | -84.5 | 0 | 0 | 0 | 111.3 | L233 A234 K235 Y239 N240 H241 M244 L288 L290 N308 A311 L312 Y315 | L233-Y237 PolarHBondContact O-N 3.11Å; A234-Y237 PolarHBondContact O-N 2.78Å; K235-Y237 VanDerWaalsContact C-N 3.28Å; K235-Y237 PolarHBondContact O-N 3.36Å; Y237-Y239 PolarHBondContact O-N 3.28Å; Y237-N240 PolarHBondContact O-N 3.43Å; Y237-H241 PolarHBondContact O-N 2.91Å; Y237-M244 HydrophobicContact CD1-CE 4.08Å; Y237-M244 HydrophobicContact CD1-SD 3.95Å; Y237-M244 HydrophobicContact CE1-CE 3.9Å; Y237-M244 HydrophobicContact CE1-SD 4.38Å; Y237-L288 HydrophobicContact CD1-CD1 4.39Å; Y237-L288 HydrophobicContact CD1-CD2 3.93Å; Y237-L288 HydrophobicContact CD2-CD1 3.59Å; Y237-L288 HydrophobicContact CD2-CD2 4.15Å; Y237-L288 HydrophobicContact CE1-CD1 4.25Å; Y237-L288 HydrophobicContact CE1-CD2 4.39Å; Y237-L288 HydrophobicContact CE2-CD1 3.43Å; Y237-L288 VanDerWaalsContact CE2-CD1 3.43Å; Y237-L288 HydrophobicContact CG-CD1 4.08Å; Y237-L288 HydrophobicContact CG-CD2 3.8Å; Y237-L290 HydrophobicContact CE1-CD2 3.97Å; Y237-L290 VanDerWaalsContact OH-CD2 3.3Å; Y237-L290 WeakPolarHBondContact OH-CD2 3.16Å; Y237-N308 PolarHBondContact OH-OD1 3.26Å; Y237-A311 HydrophobicContact CD1-CB 4.07Å; Y237-A311 HydrophobicContact CD2-CB 3.82Å; Y237-A311 HydrophobicContact CE1-CB 3.94Å; Y237-A311 HydrophobicContact CE2-CB 3.68Å; Y237-A311 HydrophobicContact CG-CB 4.01Å; Y237-A311 WeakPolarHBondContact O-CB 3.47Å; Y237-L312 HydrophobicContact CE2-CD2 3.96Å; Y237-L312 HydrophobicContact CE2-CG 4.21Å; Y237-Y315 HydrophobicContact CD2-CD2 4.5Å; Y237-Y315 HydrophobicContact CD2-CG 4.32Å |
| 238 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | -173.5 | 175.7 | 0 | 0 | 0 | 0 | 114.2 | A234 K235 H241 H245 D258 G259 | A234-S238 WeakPolarHBondContact O-CB 3.38Å; A234-S238 PolarHBondContact O-N 2.98Å; K235-S238 PolarHBondContact O-N 2.77Å; S238-H241 WeakPolarHBondContact O-CB 3.18Å; S238-H241 PolarHBondContact O-N 3.23Å; S238-H245 PolarHBondContact O-N 2.88Å; S238-H245 PolarHBondContact O-ND1 3.11Å; S238-H245 WeakPolarHBondContact OG-CA 3.38Å; S238-H245 PolarHBondContact OG-N 2.99Å; S238-H245 VanDerWaalsContact OG-N 3.08Å; S238-D258 WeakPolarHBondContact CB-O 3.47Å; S238-D258 PolarHBondContact OG-O 2.99Å; S238-G259 WeakPolarHBondContact OG-CA 3.24Å |
| 239 | Y | 98.8 | Very high | 96.5 | Very high | 117 Ų | 117 | 36.8 Ų | 36.8 | 46% | 0.459 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -80.7 | -20.3 | 179.7 | -79.4 | -87.5 | 0 | 0 | 0 | 113.8 | K235 Y237 H245 D258 | K235-Y239 HydrophobicContact CB-CD2 3.96Å; K235-Y239 HydrophobicContact CB-CE2 4.18Å; K235-Y239 HydrophobicContact CD-CE2 4.15Å; K235-Y239 HydrophobicContact CG-CD2 4.37Å; K235-Y239 HydrophobicContact CG-CE2 4.11Å; K235-Y239 WeakPolarHBondContact O-CB 3.48Å; K235-Y239 WeakPolarHBondContact O-CD2 3.33Å; K235-Y239 PolarHBondContact O-N 2.73Å; Y237-Y239 PolarHBondContact O-N 3.28Å; Y239-H245 HydrophobicContact CD1-CB 3.92Å; Y239-H245 HydrophobicContact CD2-CB 4.42Å; Y239-H245 HydrophobicContact CE1-CB 4.04Å; Y239-H245 HydrophobicContact CG-CB 4.13Å; Y239-D258 HydrophobicContact CE2-CB 3.96Å; Y239-D258 PolarHBondContact OH-OD1 2.62Å |
| 240 | N | 98.8 | Very high | 96 | Very high | 43 Ų | 43 | 37.2 Ų | 37.2 | 23% | 0.23 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -87.6 | -16.7 | 170.7 | -77.4 | -75.9 | 0 | 0 | 0 | 112.7 | V236 Y237 K310 A311 A314 | V236-N240 WeakPolarHBondContact O-CB 3.3Å; V236-N240 PolarHBondContact O-N 2.75Å; V236-N240 PolarHBondContact O-ND2 2.82Å; Y237-N240 PolarHBondContact O-N 3.43Å; N240-K310 HydrophobicContact CB-CD 4.41Å; N240-K310 HydrophobicContact CB-CG 4.32Å; N240-K310 WeakPolarHBondContact OD1-CE 3.48Å; N240-K310 PolarHBondContact OD1-NZ 2.79Å; N240-K310 VanDerWaalsContact OD1-NZ 3.12Å; N240-A311 HydrophobicContact CB-CB 4.07Å; N240-A314 HydrophobicContact CB-CB 4.26Å |
| 241 | H | 98.8 | Very high | 95 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -69.5 | 146.6 | 166.5 | -171.5 | -97 | 0 | 0 | 0 | 110.3 | Y237 S238 S243 M244 D307 N308 A311 | Y237-H241 PolarHBondContact O-N 2.91Å; S238-H241 WeakPolarHBondContact O-CB 3.18Å; S238-H241 PolarHBondContact O-N 3.23Å; H241-S243 PolarHBondContact CE1-OG 2.84Å; H241-S243 PolarHBondContact ND1-N 2.83Å; H241-S243 PolarHBondContact O-N 2.85Å; H241-M244 HydrophobicContact CB-CB 3.75Å; H241-M244 WeakPolarHBondContact ND1-CB 3.31Å; H241-M244 PolarHBondContact ND1-N 3.21Å; H241-D307 WeakPolarHBondContact CA-O 3.23Å; H241-D307 PolarHBondContact CD2-O 2.94Å; H241-N308 VanDerWaalsContact CD2-CG 3.44Å; H241-N308 PolarHBondContact CD2-OD1 3.45Å; H241-N308 PolarHBondContact NE2-ND2 2.78Å; H241-N308 VanDerWaalsContact NE2-ND2 3.15Å; H241-N308 PolarHBondContact NE2-OD1 3.07Å; H241-A311 HydrophobicContact CB-CB 4.27Å |
| 242 | A | 98.1 | Very high | 93.6 | Very high | 52 Ų | 52 | 50 Ų | 50 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -57.7 | -34.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D307 | A242-D307 HydrophobicContact CB-CB 3.75Å; A242-D307 WeakPolarHBondContact CB-OD1 3.46Å; A242-D307 PolarHBondContact N-O 3.31Å; A242-D307 VanDerWaalsContact N-O 3.16Å |
| 243 | S | 96.9 | Very high | 92.1 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -139.3 | -10.9 | -171.2 | 58.1 | 0 | 0 | 0 | 0 | 115.9 | H241 H245 K246 L249 | H241-S243 PolarHBondContact CE1-OG 2.84Å; H241-S243 PolarHBondContact ND1-N 2.83Å; H241-S243 PolarHBondContact O-N 2.85Å; S243-H245 VanDerWaalsContact C-N 3.3Å; S243-H245 PolarHBondContact O-N 2.95Å; S243-K246 WeakPolarHBondContact O-CB 3.42Å; S243-K246 VanDerWaalsContact O-CG 3.26Å; S243-K246 WeakPolarHBondContact O-CG 3.38Å; S243-K246 PolarHBondContact O-N 3.25Å; S243-L249 WeakPolarHBondContact O-CD1 3.44Å |
| 244 | M | 97.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -61 | -41.1 | -165.3 | -179.4 | 178.2 | -73.1 | 0 | 0 | 111.3 | M202 A204 Y237 H241 K246 G247 G259 E289 | M202-M244 HydrophobicContact CG-CB 4.38Å; M202-M244 HydrophobicContact CG-CE 4.2Å; M202-M244 HydrophobicContact CG-CG 4.33Å; A204-M244 HydrophobicContact CB-SD 4.15Å; Y237-M244 HydrophobicContact CD1-CE 4.08Å; Y237-M244 HydrophobicContact CD1-SD 3.95Å; Y237-M244 HydrophobicContact CE1-CE 3.9Å; Y237-M244 HydrophobicContact CE1-SD 4.38Å; H241-M244 HydrophobicContact CB-CB 3.75Å; H241-M244 WeakPolarHBondContact ND1-CB 3.31Å; H241-M244 PolarHBondContact ND1-N 3.21Å; M244-K246 PolarHBondContact O-N 3.09Å; M244-G247 PolarHBondContact O-N 3.14Å; M244-G259 WeakPolarHBondContact O-CA 3.41Å; M244-E289 VanDerWaalsContact CE-O 3.24Å; M244-E289 WeakPolarHBondContact CE-O 3.47Å |
| 245 | H | 97.1 | Very high | 89.9 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -56.4 | -15.6 | 176.6 | 63.3 | -89.7 | 0 | 0 | 0 | 115.4 | S238 Y239 S243 G247 | S238-H245 PolarHBondContact O-N 2.88Å; S238-H245 PolarHBondContact O-ND1 3.11Å; S238-H245 WeakPolarHBondContact OG-CA 3.38Å; S238-H245 PolarHBondContact OG-N 2.99Å; S238-H245 VanDerWaalsContact OG-N 3.08Å; Y239-H245 HydrophobicContact CD1-CB 3.92Å; Y239-H245 HydrophobicContact CD2-CB 4.42Å; Y239-H245 HydrophobicContact CE1-CB 4.04Å; Y239-H245 HydrophobicContact CG-CB 4.13Å; S243-H245 VanDerWaalsContact C-N 3.3Å; S243-H245 PolarHBondContact O-N 2.95Å; H245-G247 VanDerWaalsContact C-N 3.27Å; H245-G247 PolarHBondContact O-N 2.97Å |
| 246 | K | 95.6 | Very high | 89.7 | Confident | 134 Ų | 134 | 52.8 Ų | 52.8 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -70.9 | -23.2 | 175.5 | -61.9 | 176.4 | -177.3 | 176.6 | 0 | 112.6 | S243 M244 N248 L249 | S243-K246 WeakPolarHBondContact O-CB 3.42Å; S243-K246 VanDerWaalsContact O-CG 3.26Å; S243-K246 WeakPolarHBondContact O-CG 3.38Å; S243-K246 PolarHBondContact O-N 3.25Å; M244-K246 PolarHBondContact O-N 3.09Å; K246-N248 PolarHBondContact O-N 2.98Å; K246-L249 HydrophobicContact CB-CD1 4.5Å; K246-L249 HydrophobicContact CB-CD2 4.22Å; K246-L249 HydrophobicContact CB-CG 4.49Å; K246-L249 HydrophobicContact CD-CD2 4.35Å |
| 247 | G | 89.6 | Confident | 89.5 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | trans | 75.1 | -17.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | M244 H245 F256 | M244-G247 PolarHBondContact O-N 3.14Å; H245-G247 VanDerWaalsContact C-N 3.27Å; H245-G247 PolarHBondContact O-N 2.97Å; G247-F256 WeakPolarHBondContact CA-O 3.35Å; G247-F256 PolarHBondContact O-N 3.09Å | ||
| 248 | N | 83.3 | Confident | 89.4 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 60% | 0.604 | 33% | 0.334 | S | S | * | . | trans | -124.5 | 66.7 | -175.3 | -73.6 | -47.4 | 0 | 0 | 0 | 110.9 | K246 P255 | K246-N248 PolarHBondContact O-N 2.98Å; N248-P255 WeakPolarHBondContact OD1-CA 3.21Å; N248-P255 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 249 | L | 83.4 | Confident | 89.3 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | trans | -114.7 | -27.6 | -167.4 | -62.7 | 164.1 | 0 | 0 | 0 | 113.7 | M202 S243 K246 | M202-L249 HydrophobicContact CB-CB 4.26Å; M202-L249 HydrophobicContact CB-CD1 4.25Å; M202-L249 HydrophobicContact CG-CD1 3.93Å; M202-L249 HydrophobicContact SD-CB 4.14Å; M202-L249 HydrophobicContact SD-CD1 3.23Å; M202-L249 WeakPolarHBondContact SD-CD1 3.44Å; M202-L249 HydrophobicContact SD-CG 4.22Å; S243-L249 WeakPolarHBondContact O-CD1 3.44Å; K246-L249 HydrophobicContact CB-CD1 4.5Å; K246-L249 HydrophobicContact CB-CD2 4.22Å; K246-L249 HydrophobicContact CB-CG 4.49Å; K246-L249 HydrophobicContact CD-CD2 4.35Å | ||
| 250 | C | 87.7 | Confident | 89.3 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -111.9 | 135.9 | 175.5 | -41.7 | 0 | 0 | 0 | 0 | 109 | D252 S253 C292 | C250-D252 PolarHBondContact O-N 3.05Å; C250-S253 WeakPolarHBondContact CB-OG 3.45Å; C250-S253 PolarHBondContact O-N 2.85Å; C250-S253 PolarHBondContact O-OG 2.82Å; C250-C292 WeakPolarHBondContact CA-SG 3.26Å; C250-C292 HydrophobicContact CB-CB 3.66Å; C250-C292 WeakPolarHBondContact CB-SG 3.37Å; C250-C292 WeakPolarHBondContact SG-CA 3.27Å; C250-C292 WeakPolarHBondContact SG-CB 3.29Å; C250-C292 CovalentContact SG-SG 2.03Å; C250-C292 PolarHBondContact SG-SG 3.35Å |
| 251 | D | 76.9 | Confident | 89.2 | Confident | 182 Ų | 182 | 55.6 Ų | 55.6 | 97% | 0.973 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.8 | -172.7 | -66.9 | -34.5 | 0 | 0 | 0 | 113.5 | ||
| 252 | D | 69.9 | Low | 89.2 | Confident | 119 Ų | 119 | 55.6 Ų | 55.6 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -4.4 | -173.6 | 60.8 | -18.4 | 0 | 0 | 0 | 114.2 | C250 | C250-D252 PolarHBondContact O-N 3.05Š|
| 253 | S | 67.4 | Low | 89.1 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -107.4 | 121 | 174.7 | 73 | 0 | 0 | 0 | 0 | 109.1 | C250 | C250-S253 WeakPolarHBondContact CB-OG 3.45Å; C250-S253 PolarHBondContact O-N 2.85Å; C250-S253 PolarHBondContact O-OG 2.82Å |
| 254 | G | 67.2 | Low | 88.9 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 45% | 0.454 | 29% | 0.29 | S | S | . | . | trans | -56.2 | 169.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | F256 | G254-F256 WeakPolarHBondContact O-CD2 3.49Å; G254-F256 PolarHBondContact O-N 3.46Å; G254-F256 VanDerWaalsContact O-N 3.07Å | ||
| 255 | P | 85.7 | Confident | 88.7 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 66% | 0.662 | 30% | 0.304 | S | S | * | . | trans | -59.3 | 114.3 | -179.2 | 22.4 | -32.7 | 0 | 0 | 0 | 112.1 | N248 | N248-P255 WeakPolarHBondContact OD1-CA 3.21Å; N248-P255 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 256 | F | 93.6 | Very high | 88.5 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | trans | -93.1 | 95.2 | 170.7 | -58.6 | -61.6 | 0 | 0 | 0 | 109.7 | V203 G247 G254 D258 G259 T261 W266 | V203-F256 HydrophobicContact CB-CB 4.36Å; V203-F256 HydrophobicContact CB-CD1 4.34Å; V203-F256 HydrophobicContact CB-CD2 3.58Å; V203-F256 HydrophobicContact CB-CE2 3.8Å; V203-F256 HydrophobicContact CB-CG 3.85Å; V203-F256 HydrophobicContact CB-CZ 4.29Å; V203-F256 HydrophobicContact CG1-CD2 4.12Å; V203-F256 HydrophobicContact CG1-CE1 4.39Å; V203-F256 HydrophobicContact CG1-CE2 3.79Å; V203-F256 HydrophobicContact CG1-CZ 3.94Å; V203-F256 HydrophobicContact CG2-CB 3.8Å; V203-F256 HydrophobicContact CG2-CD1 3.78Å; V203-F256 HydrophobicContact CG2-CD2 3.84Å; V203-F256 HydrophobicContact CG2-CE1 4.27Å; V203-F256 HydrophobicContact CG2-CE2 4.3Å; V203-F256 HydrophobicContact CG2-CG 3.54Å; V203-F256 HydrophobicContact CG2-CZ 4.5Å; G247-F256 WeakPolarHBondContact CA-O 3.35Å; G247-F256 PolarHBondContact O-N 3.09Å; G254-F256 WeakPolarHBondContact O-CD2 3.49Å; G254-F256 PolarHBondContact O-N 3.46Å; G254-F256 VanDerWaalsContact O-N 3.07Å; F256-D258 PolarHBondContact O-N 3.5Å; F256-G259 WeakPolarHBondContact O-CA 3.47Å; F256-G259 PolarHBondContact O-N 3.34Å; F256-T261 HydrophobicContact CD1-CG2 4.26Å; F256-T261 HydrophobicContact CE1-CG2 4.14Å; F256-W266 AromaticContact CE1-CD1 3.98Å; F256-W266 HydrophobicContact CE1-CD2 4.22Å; F256-W266 HydrophobicContact CE1-CG 4.04Å; F256-W266 HydrophobicContact CZ-CD2 4.14Å; F256-W266 AromaticContact CZ-CE2 3.81Å; F256-W266 HydrophobicContact CZ-CG 4.33Å; F256-W266 HydrophobicContact CZ-CZ2 4.24Å; F256-W266 AromaticContact CZ-NE1 3.78Å | ||
| 257 | Q | 94.5 | Very high | 88.2 | Confident | 159 Ų | 159 | 54 Ų | 54 | 74% | 0.743 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -54.4 | 132 | 177.1 | -175 | 174.2 | 3.5 | 0 | 0 | 110.5 | G259 I260 | Q257-G259 PolarHBondContact O-N 3.42Å; Q257-G259 VanDerWaalsContact O-N 3.09Å; Q257-I260 PolarHBondContact O-N 2.89Å |
| 258 | D | 97.2 | Very high | 88.3 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | 57.8 | 15.2 | -174.3 | -55.8 | -23 | 0 | 0 | 0 | 114.5 | K235 S238 Y239 F256 I260 | K235-D258 WeakPolarHBondContact CE-OD2 3.31Å; K235-D258 IonicContact NZ-OD2 2.73Å; K235-D258 PolarHBondContact NZ-OD2 3.19Å; S238-D258 WeakPolarHBondContact CB-O 3.47Å; S238-D258 PolarHBondContact OG-O 2.99Å; Y239-D258 HydrophobicContact CE2-CB 3.96Å; Y239-D258 PolarHBondContact OH-OD1 2.62Å; F256-D258 PolarHBondContact O-N 3.5Å; D258-I260 VanDerWaalsContact C-N 3.27Å; D258-I260 HydrophobicContact CB-CG1 4.4Å; D258-I260 PolarHBondContact O-N 2.82Å |
| 259 | G | 97.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | 65 | 27.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A204 S238 M244 F256 Q257 | A204-G259 PolarHBondContact N-O 3.17Å; S238-G259 WeakPolarHBondContact OG-CA 3.24Å; M244-G259 WeakPolarHBondContact O-CA 3.41Å; F256-G259 WeakPolarHBondContact O-CA 3.47Å; F256-G259 PolarHBondContact O-N 3.34Å; Q257-G259 PolarHBondContact O-N 3.42Å; Q257-G259 VanDerWaalsContact O-N 3.09Å |
| 260 | I | 98.1 | Very high | 89.2 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 158.2 | 178.3 | 67.8 | 166.8 | 0 | 0 | 0 | 111.1 | A204 Y206 V231 A234 K235 Q257 D258 | A204-I260 HydrophobicContact CB-CG2 4.33Å; A204-I260 VanDerWaalsContact O-CA 3.29Å; A204-I260 WeakPolarHBondContact O-CA 3.41Å; Y206-I260 HydrophobicContact CE1-CB 4.25Å; Y206-I260 HydrophobicContact CE1-CD1 4.01Å; Y206-I260 HydrophobicContact CE1-CG1 4.31Å; V231-I260 HydrophobicContact CG1-CD1 3.94Å; A234-I260 HydrophobicContact CB-CB 4.03Å; A234-I260 HydrophobicContact CB-CG2 3.58Å; K235-I260 HydrophobicContact CD-CD1 4.44Å; K235-I260 HydrophobicContact CG-CD1 3.9Å; K235-I260 HydrophobicContact CG-CG2 4.15Å; Q257-I260 PolarHBondContact O-N 2.89Å; D258-I260 VanDerWaalsContact C-N 3.27Å; D258-I260 HydrophobicContact CB-CG1 4.4Å; D258-I260 PolarHBondContact O-N 2.82Å |
| 261 | T | 97.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 146 | 171 | -170.9 | 0 | 0 | 0 | 0 | 112 | V203 A204 S205 Y206 F256 W266 | V203-T261 HydrophobicContact CG1-CG2 4.35Å; V203-T261 HydrophobicContact CG2-CG2 3.7Å; A204-T261 PolarHBondContact O-N 3.35Å; S205-T261 CarbonylContact C-O 3.51Å; S205-T261 VanDerWaalsContact CA-O 3.28Å; S205-T261 WeakPolarHBondContact CA-O 3.04Å; Y206-T261 VanDerWaalsContact CD1-C 3.49Å; Y206-T261 WeakPolarHBondContact CD1-O 3.44Å; Y206-T261 WeakPolarHBondContact CE1-O 3.36Å; Y206-T261 PolarHBondContact N-O 2.83Å; F256-T261 HydrophobicContact CD1-CG2 4.26Å; F256-T261 HydrophobicContact CE1-CG2 4.14Å; T261-W266 HydrophobicContact CG2-CB 3.9Å; T261-W266 HydrophobicContact CG2-CD2 4.32Å; T261-W266 HydrophobicContact CG2-CE3 4Å; T261-W266 HydrophobicContact CG2-CG 4.33Å |
| 262 | N | 97.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 136 | 159.5 | 174.3 | -102.1 | 0 | 0 | 0 | 107.9 | Y206 P207 Y208 P221 S222 Y264 S265 W266 | Y206-N262 HydrophobicContact CD2-CB 4.43Å; Y206-N262 HydrophobicContact CE2-CB 3.77Å; P207-N262 PolarHBondContact O-ND2 2.93Å; P207-N262 VanDerWaalsContact O-ND2 3.08Å; Y208-N262 PolarHBondContact N-ND2 3.21Å; P221-N262 HydrophobicContact CB-CB 4.19Å; S222-N262 PolarHBondContact N-OD1 2.73Å; S222-N262 VanDerWaalsContact N-OD1 3.1Å; S222-N262 PolarHBondContact O-ND2 2.94Å; N262-Y264 PolarHBondContact O-N 3.48Å; N262-Y264 PolarHBondContact OD1-N 3.48Å; N262-S265 PolarHBondContact O-N 3.48Å; N262-S265 PolarHBondContact OD1-N 3.16Å; N262-S265 VanDerWaalsContact OD1-N 3.13Å; N262-S265 PolarHBondContact OD1-OG 2.69Å; N262-W266 PolarHBondContact O-N 2.81Å; N262-W266 VanDerWaalsContact O-N 3.12Å |
| 263 | G | 96.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.5 | -51.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S205 Y206 D209 S265 W266 Y267 | S205-G263 WeakPolarHBondContact OG-CA 3.28Å; Y206-G263 PolarHBondContact O-N 2.84Å; D209-G263 WeakPolarHBondContact OD1-CA 3.41Å; G263-S265 VanDerWaalsContact C-N 3.34Å; G263-S265 PolarHBondContact O-N 3.12Å; G263-W266 WeakPolarHBondContact O-CB 3.14Å; G263-W266 PolarHBondContact O-N 3.16Å; G263-Y267 PolarHBondContact O-N 3.19Å |
| 264 | Y | 94.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 12% | 0.122 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.9 | -35.9 | 179.4 | -169.5 | -105.8 | 0 | 0 | 0 | 113.3 | Y208 S211 S220 N262 W266 K268 | Y208-Y264 WeakPolarHBondContact O-CB 3.49Å; Y208-Y264 PolarHBondContact O-N 3.18Å; S211-Y264 VanDerWaalsContact CB-CZ 3.45Å; S220-Y264 WeakPolarHBondContact O-CD1 3.25Å; N262-Y264 PolarHBondContact O-N 3.48Å; N262-Y264 PolarHBondContact OD1-N 3.48Å; Y264-W266 VanDerWaalsContact C-N 3.26Å; Y264-W266 PolarHBondContact O-N 3.15Å; Y264-K268 HydrophobicContact CD2-CB 4.07Å; Y264-K268 HydrophobicContact CD2-CG 4.21Å; Y264-K268 HydrophobicContact CE2-CB 3.75Å; Y264-K268 HydrophobicContact CE2-CD 4.27Å; Y264-K268 HydrophobicContact CE2-CG 3.77Å |
| 265 | S | 92.2 | Very high | 94.7 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.4 | -31 | 173.4 | -70.2 | 0 | 0 | 0 | 0 | 113.4 | P221 N262 G263 | P221-S265 VanDerWaalsContact CA-OG 3.26Å; P221-S265 WeakPolarHBondContact CA-OG 3.4Å; P221-S265 WeakPolarHBondContact CB-OG 3.36Å; N262-S265 PolarHBondContact O-N 3.48Å; N262-S265 PolarHBondContact OD1-N 3.16Å; N262-S265 VanDerWaalsContact OD1-N 3.13Å; N262-S265 PolarHBondContact OD1-OG 2.69Å; G263-S265 VanDerWaalsContact C-N 3.34Å; G263-S265 PolarHBondContact O-N 3.12Å |
| 266 | W | 92.9 | Very high | 95.2 | Very high | 76 Ų | 76 | 32 Ų | 32 | 29% | 0.288 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -76.2 | -57.8 | 175 | -179.4 | 18.4 | 0 | 0 | 0 | 110.5 | A201 V203 F256 T261 N262 G263 Y264 E289 | A201-W266 HydrophobicContact CB-CH2 3.77Å; A201-W266 HydrophobicContact CB-CZ2 3.87Å; V203-W266 HydrophobicContact CG1-CE3 4.42Å; V203-W266 HydrophobicContact CG1-CH2 4.3Å; V203-W266 HydrophobicContact CG1-CZ3 4.07Å; F256-W266 AromaticContact CE1-CD1 3.98Å; F256-W266 HydrophobicContact CE1-CD2 4.22Å; F256-W266 HydrophobicContact CE1-CG 4.04Å; F256-W266 HydrophobicContact CZ-CD2 4.14Å; F256-W266 AromaticContact CZ-CE2 3.81Å; F256-W266 HydrophobicContact CZ-CG 4.33Å; F256-W266 HydrophobicContact CZ-CZ2 4.24Å; F256-W266 AromaticContact CZ-NE1 3.78Å; T261-W266 HydrophobicContact CG2-CB 3.9Å; T261-W266 HydrophobicContact CG2-CD2 4.32Å; T261-W266 HydrophobicContact CG2-CE3 4Å; T261-W266 HydrophobicContact CG2-CG 4.33Å; N262-W266 PolarHBondContact O-N 2.81Å; N262-W266 VanDerWaalsContact O-N 3.12Å; G263-W266 WeakPolarHBondContact O-CB 3.14Å; G263-W266 PolarHBondContact O-N 3.16Å; Y264-W266 VanDerWaalsContact C-N 3.26Å; Y264-W266 PolarHBondContact O-N 3.15Å; W266-E289 HydrophobicContact CH2-CG 3.89Å; W266-E289 HydrophobicContact CZ3-CG 3.98Å |
| 267 | Y | 90.3 | Very high | 95.5 | Very high | 83 Ų | 83 | 31.3 Ų | 31.3 | 33% | 0.325 | 15% | 0.147 | S | C | . | . | trans | -163.2 | 150.8 | 169.7 | 64 | -87.7 | 0 | 0 | 0 | 111 | G263 L269 | G263-Y267 PolarHBondContact O-N 3.19Å; Y267-L269 HydrophobicContact CD2-CB 4.28Å; Y267-L269 HydrophobicContact CE2-CB 3.86Å; Y267-L269 HydrophobicContact CE2-CD1 3.96Å; Y267-L269 HydrophobicContact CE2-CG 4.36Å; Y267-L269 PolarHBondContact O-N 2.74Å | ||
| 268 | K | 91.9 | Very high | 95.6 | Very high | 98 Ų | 98 | 23.9 Ų | 23.9 | 43% | 0.426 | 11% | 0.112 | S | C | . | . | trans | -63.5 | 124.5 | 174.7 | 179.5 | -175.9 | 179.2 | -144.5 | 0 | 110.9 | N210 Y264 E270 | N210-K268 WeakPolarHBondContact OD1-CE 3.21Å; Y264-K268 HydrophobicContact CD2-CB 4.07Å; Y264-K268 HydrophobicContact CD2-CG 4.21Å; Y264-K268 HydrophobicContact CE2-CB 3.75Å; Y264-K268 HydrophobicContact CE2-CD 4.27Å; Y264-K268 HydrophobicContact CE2-CG 3.77Å; K268-E270 IonicContact NZ-OE2 2.94Å; K268-E270 PolarHBondContact NZ-OE2 3.08Å | ||
| 269 | L | 92.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | trans | -127.8 | 114.4 | 174.7 | 178.9 | 161.8 | 0 | 0 | 0 | 110 | R155 D209 N210 Y267 | R155-L269 VanDerWaalsContact CZ-CG 3.4Å; R155-L269 VanDerWaalsContact NH1-CG 3.29Å; D209-L269 CarbonylContact C-O 3.48Å; D209-L269 HydrophobicContact CB-CB 4.03Å; D209-L269 HydrophobicContact CB-CD2 4.02Å; D209-L269 HydrophobicContact CB-CG 4.45Å; D209-L269 PolarHBondContact O-N 2.63Å; N210-L269 WeakPolarHBondContact CB-O 3.12Å; Y267-L269 HydrophobicContact CD2-CB 4.28Å; Y267-L269 HydrophobicContact CE2-CB 3.86Å; Y267-L269 HydrophobicContact CE2-CD1 3.96Å; Y267-L269 HydrophobicContact CE2-CG 4.36Å; Y267-L269 PolarHBondContact O-N 2.74Å | ||
| 270 | E | 92.2 | Very high | 95.4 | Very high | 66 Ų | 66 | 24.7 Ų | 24.7 | 31% | 0.308 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -98.4 | 133.4 | 180 | -175.8 | 170.9 | 146.1 | 0 | 0 | 110.5 | R155 D159 A162 K268 | R155-E270 WeakPolarHBondContact CD-O 3.21Å; D159-E270 HydrophobicContact CB-CG 4.14Å; D159-E270 WeakPolarHBondContact OD2-CA 3.44Å; A162-E270 HydrophobicContact CB-CG 4.03Å; A162-E270 WeakPolarHBondContact CB-OE1 3.42Å; K268-E270 IonicContact NZ-OE2 2.94Å; K268-E270 PolarHBondContact NZ-OE2 3.08Å |
| 271 | G | 93.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 77.5 | 31.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | N154 R155 G156 F157 D159 | N154-G271 CarbonylContact C-O 3.49Å; R155-G271 CarbonylContact C-O 3.54Å; R155-G271 WeakPolarHBondContact CA-O 3.44Å; G156-G271 PolarHBondContact N-O 2.71Å; F157-G271 WeakPolarHBondContact CB-O 3.21Å; F157-G271 PolarHBondContact N-O 3.29Å; F157-G271 VanDerWaalsContact O-CA 3.27Å; F157-G271 WeakPolarHBondContact O-CA 3.3Å; D159-G271 PolarHBondContact OD2-N 3.29Å |
| 272 | G | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | trans | -77.7 | 151.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N154 Q274 Y276 | N154-G272 VanDerWaalsContact OD1-CA 3.31Å; N154-G272 WeakPolarHBondContact OD1-CA 3.37Å; G272-Q274 VanDerWaalsContact C-N 3.32Å; G272-Y276 PolarHBondContact O-N 2.75Å | ||
| 273 | M | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -35.2 | 175.7 | -172.9 | 169.1 | 62.7 | 0 | 0 | 112.1 | V80 M83 M127 N154 F157 V182 N196 Y276 N277 | V80-M273 HydrophobicContact CB-CE 4.16Å; V80-M273 HydrophobicContact CG1-CE 3.96Å; M83-M273 HydrophobicContact CE-CB 4.2Å; M83-M273 HydrophobicContact CE-CE 4.29Å; M83-M273 HydrophobicContact SD-CE 3.94Å; M127-M273 HydrophobicContact CE-SD 4.48Å; M127-M273 HydrophobicContact SD-CE 4.47Å; M127-M273 HydrophobicContact SD-SD 3.95Å; N154-M273 PolarHBondContact OD1-N 3.32Å; F157-M273 HydrophobicContact CD1-CG 4.47Å; F157-M273 HydrophobicContact CD2-CB 3.8Å; F157-M273 HydrophobicContact CD2-CG 4.39Å; F157-M273 HydrophobicContact CE1-CB 4.32Å; F157-M273 HydrophobicContact CE1-CG 3.87Å; F157-M273 HydrophobicContact CE1-SD 4.43Å; F157-M273 HydrophobicContact CE2-CB 3.53Å; F157-M273 HydrophobicContact CE2-CG 3.8Å; F157-M273 HydrophobicContact CE2-SD 4.09Å; F157-M273 HydrophobicContact CG-CB 4.32Å; F157-M273 HydrophobicContact CZ-CB 3.81Å; F157-M273 HydrophobicContact CZ-CG 3.5Å; F157-M273 VanDerWaalsContact CZ-CG 3.5Å; F157-M273 HydrophobicContact CZ-SD 3.65Å; V182-M273 HydrophobicContact CG1-SD 3.85Å; N196-M273 HydrophobicContact CB-CE 3.32Å; M273-Y276 PolarHBondContact O-N 2.93Å; M273-N277 PolarHBondContact O-N 2.97Å; M273-N277 PolarHBondContact O-ND2 2.88Å |
| 274 | Q | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -54.3 | -177.1 | -170.6 | -168.3 | -99.2 | 0 | 0 | 112 | S205 P207 D209 G272 Y276 N277 Y278 E285 T287 | S205-Q274 PolarHBondContact O-OE1 3.47Å; S205-Q274 VanDerWaalsContact O-OE1 3.11Å; P207-Q274 HydrophobicContact CG-CG 3.83Å; D209-Q274 PolarHBondContact OD1-NE2 2.83Å; D209-Q274 PolarHBondContact OD2-NE2 2.77Å; D209-Q274 VanDerWaalsContact OD2-NE2 3.16Å; G272-Q274 VanDerWaalsContact C-N 3.32Å; Q274-Y276 VanDerWaalsContact C-N 3.29Å; Q274-Y276 PolarHBondContact O-N 2.85Å; Q274-N277 WeakPolarHBondContact O-CB 3.35Å; Q274-N277 PolarHBondContact O-N 2.96Å; Q274-Y278 PolarHBondContact O-N 3.06Å; Q274-E285 HydrophobicContact CG-CB 4.37Å; Q274-E285 HydrophobicContact CG-CG 4.48Å; Q274-E285 WeakPolarHBondContact CG-O 3.48Å; Q274-T287 VanDerWaalsContact OE1-CB 3.25Å; Q274-T287 PolarHBondContact OE1-OG1 3.41Å |
| 275 | D | 97.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -33.9 | 178.4 | -75.4 | 2.8 | 0 | 0 | 0 | 111.4 | Y208 D209 N210 N277 Y278 V279 | Y208-D275 WeakPolarHBondContact CA-OD1 3.48Å; Y208-D275 HydrophobicContact CD1-CB 4.41Å; D209-D275 PolarHBondContact N-OD1 2.8Å; D209-D275 VanDerWaalsContact N-OD1 3.07Å; D209-D275 PolarHBondContact N-OD2 2.93Å; N210-D275 PolarHBondContact N-OD2 3.49Å; D275-N277 PolarHBondContact O-N 2.66Å; D275-Y278 PolarHBondContact O-N 2.69Å; D275-V279 WeakPolarHBondContact O-CB 3.28Å; D275-V279 WeakPolarHBondContact O-CG2 3.47Å; D275-V279 PolarHBondContact O-N 2.94Å |
| 276 | Y | 96.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.2 | -177.8 | -91.7 | 0 | 0 | 0 | 112.5 | F157 P158 E172 I183 L186 G272 M273 Q274 Y278 W280 A281 | F157-Y276 HydrophobicContact CB-CG 4.38Å; F157-Y276 AromaticContact CD1-CD1 3.87Å; F157-Y276 HydrophobicContact CD1-CD1 3.87Å; F157-Y276 HydrophobicContact CD1-CD2 4.34Å; F157-Y276 AromaticContact CD1-CG 3.76Å; F157-Y276 HydrophobicContact CD1-CG 3.76Å; F157-Y276 HydrophobicContact CE1-CD1 4.31Å; F157-Y276 HydrophobicContact CG-CG 4.49Å; P158-Y276 HydrophobicContact CB-CD2 3.91Å; P158-Y276 HydrophobicContact CB-CE2 3.94Å; P158-Y276 HydrophobicContact CG-CD2 3.77Å; P158-Y276 HydrophobicContact CG-CE2 3.48Å; P158-Y276 VanDerWaalsContact CG-CE2 3.48Å; E172-Y276 PolarHBondContact OE1-OH 3.33Å; I183-Y276 HydrophobicContact CD1-CE2 4.44Å; I183-Y276 HydrophobicContact CG1-CE1 3.8Å; I183-Y276 WeakPolarHBondContact CG2-OH 3.1Å; L186-Y276 HydrophobicContact CD1-CD1 3.66Å; L186-Y276 HydrophobicContact CD1-CE1 3.64Å; G272-Y276 PolarHBondContact O-N 2.75Å; M273-Y276 PolarHBondContact O-N 2.93Å; Q274-Y276 VanDerWaalsContact C-N 3.29Å; Q274-Y276 PolarHBondContact O-N 2.85Å; Y276-Y278 VanDerWaalsContact C-N 3.3Å; Y276-Y278 PolarHBondContact O-N 3.03Å; Y276-W280 HydrophobicContact CD2-CB 4.47Å; Y276-W280 AromaticContact CD2-CD2 3.94Å; Y276-W280 HydrophobicContact CD2-CD2 3.94Å; Y276-W280 AromaticContact CD2-CE3 3.15Å; Y276-W280 HydrophobicContact CD2-CE3 3.15Å; Y276-W280 AromaticContact CD2-CZ3 3.56Å; Y276-W280 HydrophobicContact CD2-CZ3 3.56Å; Y276-W280 HydrophobicContact CE2-CB 4.04Å; Y276-W280 AromaticContact CE2-CD2 3.92Å; Y276-W280 HydrophobicContact CE2-CD2 3.92Å; Y276-W280 AromaticContact CE2-CE3 3.62Å; Y276-W280 HydrophobicContact CE2-CE3 3.62Å; Y276-W280 HydrophobicContact CE2-CG 4.13Å; Y276-W280 HydrophobicContact CE2-CZ3 4.28Å; Y276-W280 AromaticContact CG-CE3 3.87Å; Y276-W280 HydrophobicContact CG-CE3 3.87Å; Y276-W280 HydrophobicContact CG-CZ3 4.34Å; Y276-W280 PolarHBondContact O-N 2.96Å; Y276-A281 PolarHBondContact O-N 3.39Å |
| 277 | N | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -55.9 | -46.8 | 177.3 | -87.8 | -97.9 | 0 | 0 | 0 | 111.5 | K78 L186 M273 Q274 D275 A281 Q282 C283 E285 | K78-N277 VanDerWaalsContact CE-OD1 3.32Å; K78-N277 WeakPolarHBondContact CE-OD1 3.44Å; K78-N277 PolarHBondContact NZ-OD1 2.02Å; L186-N277 VanDerWaalsContact CD2-OD1 3.24Å; L186-N277 WeakPolarHBondContact CD2-OD1 3.42Å; M273-N277 PolarHBondContact O-N 2.97Å; M273-N277 PolarHBondContact O-ND2 2.88Å; Q274-N277 WeakPolarHBondContact O-CB 3.35Å; Q274-N277 PolarHBondContact O-N 2.96Å; D275-N277 PolarHBondContact O-N 2.66Å; N277-A281 CarbonylContact O-C 3.58Å; N277-A281 VanDerWaalsContact O-C 3.29Å; N277-A281 WeakPolarHBondContact O-CA 3.4Å; N277-A281 WeakPolarHBondContact O-CB 3.5Å; N277-A281 PolarHBondContact O-N 3.31Å; N277-A281 VanDerWaalsContact O-N 3.1Å; N277-Q282 PolarHBondContact O-N 3.18Å; N277-C283 CarbonylContact C-O 3.08Å; N277-C283 HydrophobicContact CB-CB 4.26Å; N277-C283 WeakPolarHBondContact CB-O 3.21Å; N277-C283 PolarHBondContact O-N 3.45Å; N277-E285 HydrophobicContact CB-CB 3.72Å; N277-E285 VanDerWaalsContact ND2-CD 3.26Å; N277-E285 PolarHBondContact ND2-OE1 3.26Å; N277-E285 PolarHBondContact ND2-OE2 3.11Å; N277-E285 VanDerWaalsContact ND2-OE2 3.1Å; N277-E285 PolarHBondContact OD1-OE2 3.36Å |
| 278 | Y | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 1% | 0.012 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -74.5 | -41.8 | -175.1 | 178.8 | -124.4 | 0 | 0 | 0 | 112.5 | Y208 A224 P225 D226 F230 Q274 D275 Y276 C283 L284 N347 F351 | Y208-Y278 HydrophobicContact CD1-CD1 4.5Å; Y208-Y278 AromaticContact CE1-CD1 3.6Å; Y208-Y278 HydrophobicContact CE1-CD1 3.6Å; Y208-Y278 AromaticContact CE1-CE1 3.9Å; Y208-Y278 HydrophobicContact CE1-CE1 3.9Å; Y208-Y278 AromaticContact CZ-CD1 3.9Å; Y208-Y278 AromaticContact CZ-CE1 3.68Å; Y208-Y278 WeakPolarHBondContact OH-CE1 3.36Å; A224-Y278 HydrophobicContact CB-CE1 3.81Å; P225-Y278 WeakPolarHBondContact CD-OH 3.34Å; D226-Y278 HydrophobicContact CB-CE2 4.18Å; D226-Y278 WeakPolarHBondContact CB-OH 3.3Å; D226-Y278 PolarHBondContact N-OH 2.78Å; D226-Y278 PolarHBondContact OD2-OH 3.14Å; F230-Y278 HydrophobicContact CE2-CD1 4.17Å; F230-Y278 AromaticContact CE2-CD2 3.99Å; F230-Y278 HydrophobicContact CE2-CD2 3.99Å; F230-Y278 HydrophobicContact CE2-CE1 4.02Å; F230-Y278 AromaticContact CE2-CE2 3.84Å; F230-Y278 HydrophobicContact CE2-CE2 3.84Å; F230-Y278 HydrophobicContact CE2-CG 4.14Å; F230-Y278 AromaticContact CE2-CZ 3.84Å; F230-Y278 HydrophobicContact CZ-CD1 4.28Å; F230-Y278 AromaticContact CZ-CD2 3.74Å; F230-Y278 HydrophobicContact CZ-CD2 3.74Å; F230-Y278 HydrophobicContact CZ-CE2 4.05Å; F230-Y278 AromaticContact CZ-CG 3.86Å; F230-Y278 HydrophobicContact CZ-CG 3.86Å; Q274-Y278 PolarHBondContact O-N 3.06Å; D275-Y278 PolarHBondContact O-N 2.69Å; Y276-Y278 VanDerWaalsContact C-N 3.3Å; Y276-Y278 PolarHBondContact O-N 3.03Å; Y278-C283 VanDerWaalsContact CA-O 3.26Å; Y278-C283 WeakPolarHBondContact CA-O 3.45Å; Y278-C283 PolarHBondContact N-O 2.84Å; Y278-L284 HydrophobicContact CD2-CD1 4.16Å; Y278-L284 HydrophobicContact CD2-CG 4.12Å; Y278-L284 HydrophobicContact CE2-CD1 4.27Å; Y278-L284 HydrophobicContact CE2-CG 4.3Å; Y278-N347 VanDerWaalsContact CZ-ND2 3.3Å; Y278-N347 PolarHBondContact OH-ND2 3.41Å; Y278-F351 HydrophobicContact CE2-CE2 4.48Å; Y278-F351 HydrophobicContact CE2-CZ 4.45Å |
| 279 | V | 95.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 11.5 Ų | 11.5 | 5% | 0.048 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -73.9 | -52.2 | -178.2 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | A160 Y208 D275 M348 C349 | A160-V279 HydrophobicContact CB-CG1 4.13Å; A160-V279 HydrophobicContact CB-CG2 4.07Å; Y208-V279 HydrophobicContact CE1-CG2 3.95Å; D275-V279 WeakPolarHBondContact O-CB 3.28Å; D275-V279 WeakPolarHBondContact O-CG2 3.47Å; D275-V279 PolarHBondContact O-N 2.94Å; V279-M348 HydrophobicContact CG1-CB 4.33Å; V279-M348 HydrophobicContact CG2-SD 4.05Å; V279-C349 HydrophobicContact CG1-CB 4.36Å; V279-C349 WeakPolarHBondContact O-CB 3.21Å |
| 280 | W | 93.9 | Very high | 97.2 | Very high | 50 Ų | 50 | 11.3 Ų | 11.3 | 19% | 0.189 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -105 | -27.7 | -170.8 | -66.8 | -82 | 0 | 0 | 0 | 114.8 | P158 A160 Y276 | P158-W280 HydrophobicContact CB-CH2 3.94Å; P158-W280 HydrophobicContact CB-CZ2 4.36Å; P158-W280 HydrophobicContact CB-CZ3 4.15Å; P158-W280 WeakPolarHBondContact O-CH2 3.5Å; P158-W280 WeakPolarHBondContact O-CZ3 3.26Å; A160-W280 HydrophobicContact CB-CH2 3.82Å; A160-W280 HydrophobicContact CB-CZ2 4.3Å; A160-W280 HydrophobicContact CB-CZ3 4.37Å; Y276-W280 HydrophobicContact CD2-CB 4.47Å; Y276-W280 AromaticContact CD2-CD2 3.94Å; Y276-W280 HydrophobicContact CD2-CD2 3.94Å; Y276-W280 AromaticContact CD2-CE3 3.15Å; Y276-W280 HydrophobicContact CD2-CE3 3.15Å; Y276-W280 AromaticContact CD2-CZ3 3.56Å; Y276-W280 HydrophobicContact CD2-CZ3 3.56Å; Y276-W280 HydrophobicContact CE2-CB 4.04Å; Y276-W280 AromaticContact CE2-CD2 3.92Å; Y276-W280 HydrophobicContact CE2-CD2 3.92Å; Y276-W280 AromaticContact CE2-CE3 3.62Å; Y276-W280 HydrophobicContact CE2-CE3 3.62Å; Y276-W280 HydrophobicContact CE2-CG 4.13Å; Y276-W280 HydrophobicContact CE2-CZ3 4.28Å; Y276-W280 AromaticContact CG-CE3 3.87Å; Y276-W280 HydrophobicContact CG-CE3 3.87Å; Y276-W280 HydrophobicContact CG-CZ3 4.34Å; Y276-W280 PolarHBondContact O-N 2.96Å |
| 281 | A | 95.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 8.4 Ų | 8.4 | 17% | 0.165 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -97 | -2.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | L186 Y276 N277 C283 | L186-A281 HydrophobicContact CB-CB 4.04Å; L186-A281 HydrophobicContact CD1-CB 4.2Å; L186-A281 HydrophobicContact CD2-CB 3.9Å; L186-A281 HydrophobicContact CG-CB 4.28Å; Y276-A281 PolarHBondContact O-N 3.39Å; N277-A281 CarbonylContact O-C 3.58Å; N277-A281 VanDerWaalsContact O-C 3.29Å; N277-A281 WeakPolarHBondContact O-CA 3.4Å; N277-A281 WeakPolarHBondContact O-CB 3.5Å; N277-A281 PolarHBondContact O-N 3.31Å; N277-A281 VanDerWaalsContact O-N 3.1Å; A281-C283 HydrophobicContact CB-CB 4.44Å; A281-C283 PolarHBondContact O-N 3.47Å; A281-C283 VanDerWaalsContact O-N 3.14Å |
| 282 | Q | 96.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 10 Ų | 10 | 24% | 0.238 | 5% | 0.054 | C | C | . | . | trans | 57.2 | 24.2 | -177.7 | -46.3 | -179.5 | 157.6 | 0 | 0 | 113.4 | N277 F351 R352 | N277-Q282 PolarHBondContact O-N 3.18Å; Q282-F351 HydrophobicContact CB-CD1 3.88Å; Q282-F351 HydrophobicContact CB-CD2 4.41Å; Q282-F351 HydrophobicContact CB-CE1 3.74Å; Q282-F351 HydrophobicContact CB-CE2 4.26Å; Q282-F351 HydrophobicContact CB-CG 4.23Å; Q282-F351 HydrophobicContact CB-CZ 3.93Å; Q282-F351 HydrophobicContact CG-CD1 4.5Å; Q282-F351 HydrophobicContact CG-CD2 4.45Å; Q282-F351 HydrophobicContact CG-CG 4.38Å; Q282-F351 WeakPolarHBondContact O-CE1 3.33Å; Q282-R352 PolarHBondContact NE2-O 3.09Å | ||
| 283 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -110.9 | 126.3 | -177.4 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | F191 S194 N277 Y278 A281 E285 | F191-C283 HydrophobicContact CB-CB 3.97Å; F191-C283 WeakPolarHBondContact O-CB 3.37Å; S194-C283 VanDerWaalsContact CB-SG 3.52Å; N277-C283 CarbonylContact C-O 3.08Å; N277-C283 HydrophobicContact CB-CB 4.26Å; N277-C283 WeakPolarHBondContact CB-O 3.21Å; N277-C283 PolarHBondContact O-N 3.45Å; Y278-C283 VanDerWaalsContact CA-O 3.26Å; Y278-C283 WeakPolarHBondContact CA-O 3.45Å; Y278-C283 PolarHBondContact N-O 2.84Å; A281-C283 HydrophobicContact CB-CB 4.44Å; A281-C283 PolarHBondContact O-N 3.47Å; A281-C283 VanDerWaalsContact O-N 3.14Å; C283-E285 PolarHBondContact O-N 3.03Å | ||
| 284 | L | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.3 | 174.9 | -78.8 | 71.5 | 0 | 0 | 0 | 108.2 | V192 L193 S194 D226 V229 F230 L233 Y278 F351 L362 | V192-L284 PolarHBondContact O-N 2.92Å; V192-L284 VanDerWaalsContact O-N 3.11Å; L193-L284 CarbonylContact C-O 3.5Å; L193-L284 WeakPolarHBondContact CA-O 3.49Å; L193-L284 HydrophobicContact CD1-CB 4.28Å; S194-L284 PolarHBondContact N-O 3.36Å; D226-L284 HydrophobicContact CB-CD2 4.4Å; V229-L284 HydrophobicContact CB-CD2 4.4Å; V229-L284 HydrophobicContact CG1-CD2 3.79Å; F230-L284 HydrophobicContact CD1-CD2 4.45Å; F230-L284 HydrophobicContact CE1-CB 3.73Å; F230-L284 HydrophobicContact CE1-CD2 4.08Å; F230-L284 HydrophobicContact CE1-CG 3.86Å; F230-L284 HydrophobicContact CE2-CD2 4.32Å; F230-L284 HydrophobicContact CE2-CG 4.3Å; F230-L284 HydrophobicContact CZ-CB 3.97Å; F230-L284 HydrophobicContact CZ-CD2 4.01Å; F230-L284 HydrophobicContact CZ-CG 3.63Å; L233-L284 HydrophobicContact CD1-CB 4.41Å; L233-L284 HydrophobicContact CD1-CD2 4.14Å; Y278-L284 HydrophobicContact CD2-CD1 4.16Å; Y278-L284 HydrophobicContact CD2-CG 4.12Å; Y278-L284 HydrophobicContact CE2-CD1 4.27Å; Y278-L284 HydrophobicContact CE2-CG 4.3Å; L284-F351 HydrophobicContact CD1-CZ 4.18Å; L284-L362 HydrophobicContact CB-CD1 4.18Å; L284-L362 HydrophobicContact CD1-CD1 4.3Å; L284-L362 HydrophobicContact CD2-CB 4.32Å; L284-L362 HydrophobicContact CD2-CD1 4.11Å; L284-L362 HydrophobicContact CG-CD1 4.42Å |
| 285 | E | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.6 | 178.3 | -172.8 | 165.5 | 100.4 | 0 | 0 | 111.1 | K78 S194 N196 P207 Q274 N277 C283 | K78-E285 IonicContact NZ-OE2 3.97Å; K78-E285 PolarHBondContact NZ-OE2 3.41Å; S194-E285 VanDerWaalsContact CB-OE2 3.3Å; S194-E285 WeakPolarHBondContact CB-OE2 3.47Å; S194-E285 WeakPolarHBondContact O-CA 3.45Å; S194-E285 PolarHBondContact OG-OE2 2.92Å; N196-E285 PolarHBondContact ND2-OE1 3.41Å; P207-E285 WeakPolarHBondContact CD-O 2.97Å; Q274-E285 HydrophobicContact CG-CB 4.37Å; Q274-E285 HydrophobicContact CG-CG 4.48Å; Q274-E285 WeakPolarHBondContact CG-O 3.48Å; N277-E285 HydrophobicContact CB-CB 3.72Å; N277-E285 VanDerWaalsContact ND2-CD 3.26Å; N277-E285 PolarHBondContact ND2-OE1 3.26Å; N277-E285 PolarHBondContact ND2-OE2 3.11Å; N277-E285 VanDerWaalsContact ND2-OE2 3.1Å; N277-E285 PolarHBondContact OD1-OE2 3.36Å; C283-E285 PolarHBondContact O-N 3.03Å |
| 286 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 154.8 | 166 | -64.9 | -170.6 | 0 | 0 | 0 | 111.2 | S194 A195 N196 F230 L233 A234 L288 Y315 | S194-L286 PolarHBondContact O-N 3.43Å; A195-L286 CarbonylContact C-O 3.6Å; A195-L286 WeakPolarHBondContact CA-O 3.33Å; A195-L286 HydrophobicContact CB-CB 4.39Å; N196-L286 PolarHBondContact N-O 3.09Å; N196-L286 PolarHBondContact ND2-O 3.25Å; F230-L286 HydrophobicContact CD1-CD2 3.77Å; F230-L286 HydrophobicContact CE1-CD2 4.41Å; L233-L286 HydrophobicContact CB-CD1 3.98Å; A234-L286 HydrophobicContact CB-CD1 3.96Å; L286-L288 HydrophobicContact CB-CD2 4.22Å; L286-L288 HydrophobicContact CD1-CD2 4.41Å; L286-Y315 HydrophobicContact CD1-CE2 3.54Å; L286-Y315 HydrophobicContact CG-CE2 4.14Å; L286-Y315 VanDerWaalsContact CG-OH 3.31Å; L286-Y315 WeakPolarHBondContact CG-OH 3.18Å |
| 287 | T | 98.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 18.5 Ų | 18.5 | 5% | 0.049 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118 | 167 | -58.1 | 0 | 0 | 0 | 0 | 108.4 | N196 H198 S205 Q274 | N196-T287 PolarHBondContact ND2-OG1 2.97Å; N196-T287 WeakPolarHBondContact O-CA 3.43Å; N196-T287 WeakPolarHBondContact OD1-CG2 3.36Å; N196-T287 PolarHBondContact OD1-OG1 3.23Å; H198-T287 HydrophobicContact CB-CG2 4.45Å; S205-T287 PolarHBondContact N-O 3.27Å; S205-T287 PolarHBondContact O-N 3.34Å; Q274-T287 VanDerWaalsContact OE1-CB 3.25Å; Q274-T287 PolarHBondContact OE1-OG1 3.41Å |
| 288 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 107.7 | -176.9 | -57.8 | 176.8 | 0 | 0 | 0 | 109.6 | Y79 A195 N196 L197 H198 A204 Y237 L286 L290 | Y79-L288 HydrophobicContact CE1-CD1 4.18Å; A195-L288 HydrophobicContact CB-CD1 3.54Å; A195-L288 HydrophobicContact CB-CG 3.87Å; N196-L288 PolarHBondContact O-N 3.18Å; L197-L288 HydrophobicContact CD1-CD1 4.27Å; H198-L288 PolarHBondContact N-O 2.89Å; A204-L288 HydrophobicContact CB-CD2 3.81Å; Y237-L288 HydrophobicContact CD1-CD1 4.39Å; Y237-L288 HydrophobicContact CD1-CD2 3.93Å; Y237-L288 HydrophobicContact CD2-CD1 3.59Å; Y237-L288 HydrophobicContact CD2-CD2 4.15Å; Y237-L288 HydrophobicContact CE1-CD1 4.25Å; Y237-L288 HydrophobicContact CE1-CD2 4.39Å; Y237-L288 HydrophobicContact CE2-CD1 3.43Å; Y237-L288 VanDerWaalsContact CE2-CD1 3.43Å; Y237-L288 HydrophobicContact CG-CD1 4.08Å; Y237-L288 HydrophobicContact CG-CD2 3.8Å; L286-L288 HydrophobicContact CB-CD2 4.22Å; L286-L288 HydrophobicContact CD1-CD2 4.41Å; L288-L290 HydrophobicContact CB-CD2 3.8Å; L288-L290 WeakPolarHBondContact O-CG 3.25Å |
| 289 | E | 98.4 | Very high | 97 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110.6 | 173.4 | -66.4 | -73.9 | 178.7 | 0 | 0 | 108.8 | H198 G199 A201 M202 V203 M244 W266 | H198-E289 VanDerWaalsContact CB-CD 3.42Å; H198-E289 HydrophobicContact CB-CG 4.37Å; H198-E289 WeakPolarHBondContact CB-OE1 3.37Å; H198-E289 VanDerWaalsContact CB-OE2 3.31Å; H198-E289 WeakPolarHBondContact CB-OE2 3.18Å; G199-E289 WeakPolarHBondContact CA-OE2 2.91Å; G199-E289 PolarHBondContact N-OE2 2.84Å; A201-E289 HydrophobicContact CB-CB 3.89Å; A201-E289 HydrophobicContact CB-CG 4.05Å; A201-E289 CarbonylContact O-C 3.2Å; A201-E289 WeakPolarHBondContact O-CB 3.42Å; M202-E289 WeakPolarHBondContact CA-O 3.22Å; V203-E289 HydrophobicContact CG1-CB 3.99Å; V203-E289 HydrophobicContact CG1-CG 4.06Å; V203-E289 PolarHBondContact N-O 3.04Å; V203-E289 VanDerWaalsContact N-O 3.14Å; V203-E289 WeakPolarHBondContact O-CB 2.82Å; V203-E289 PolarHBondContact O-N 2.91Å; M244-E289 VanDerWaalsContact CE-O 3.24Å; M244-E289 WeakPolarHBondContact CE-O 3.47Å; W266-E289 HydrophobicContact CH2-CG 3.89Å; W266-E289 HydrophobicContact CZ3-CG 3.98Å |
| 290 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -20.5 | -162 | -57.3 | 178.2 | 0 | 0 | 0 | 114.3 | L89 L93 L197 H198 Y237 L288 | L89-L290 HydrophobicContact CD2-CB 3.8Å; L89-L290 HydrophobicContact CG-CB 4.42Å; L93-L290 HydrophobicContact CD1-CD1 3.68Å; L197-L290 HydrophobicContact CB-CD1 3.85Å; L197-L290 HydrophobicContact CD2-CD1 3.81Å; L197-L290 HydrophobicContact CG-CD1 3.82Å; H198-L290 PolarHBondContact O-N 3.03Å; Y237-L290 HydrophobicContact CE1-CD2 3.97Å; Y237-L290 VanDerWaalsContact OH-CD2 3.3Å; Y237-L290 WeakPolarHBondContact OH-CD2 3.16Å; L288-L290 HydrophobicContact CB-CD2 3.8Å; L288-L290 WeakPolarHBondContact O-CG 3.25Å |
| 291 | S | 95.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 4% | 0.035 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 137.9 | -175.3 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | L89 G200 A201 C293 | L89-S291 WeakPolarHBondContact CD2-OG 3.43Å; G200-S291 PolarHBondContact N-O 3.41Å; A201-S291 PolarHBondContact N-O 2.82Å; A201-S291 CarbonylContact O-C 3.57Å; A201-S291 PolarHBondContact O-N 2.99Å; A201-S291 VanDerWaalsContact O-N 3.15Å; A201-S291 VanDerWaalsContact O-O 3.09Å; S291-C293 WeakPolarHBondContact CB-O 3.32Å; S291-C293 PolarHBondContact O-N 2.96Å; S291-C293 PolarHBondContact OG-O 2.71Å |
| 292 | C | 94.5 | Very high | 97.4 | Very high | 36 Ų | 36 | 32.1 Ų | 32.1 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -57.1 | -40.1 | 171.3 | -48.2 | 0 | 0 | 0 | 0 | 111 | G200 C250 | G200-C292 WeakPolarHBondContact CA-O 3.36Å; C250-C292 WeakPolarHBondContact CA-SG 3.26Å; C250-C292 HydrophobicContact CB-CB 3.66Å; C250-C292 WeakPolarHBondContact CB-SG 3.37Å; C250-C292 WeakPolarHBondContact SG-CA 3.27Å; C250-C292 WeakPolarHBondContact SG-CB 3.29Å; C250-C292 CovalentContact SG-SG 2.03Å; C250-C292 PolarHBondContact SG-SG 3.35Å |
| 293 | C | 95.6 | Very high | 97.5 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -80.6 | 121.4 | 174.8 | -151.9 | 0 | 0 | 0 | 0 | 110.8 | C139 S291 F295 P296 | C139-C293 WeakPolarHBondContact CA-SG 3.42Å; C139-C293 HydrophobicContact CB-CB 4.34Å; C139-C293 WeakPolarHBondContact CB-SG 3.36Å; C139-C293 WeakPolarHBondContact SG-CA 3.48Å; C139-C293 WeakPolarHBondContact SG-CB 3.44Å; C139-C293 CovalentContact SG-SG 2.04Å; C139-C293 PolarHBondContact SG-SG 2.97Å; S291-C293 WeakPolarHBondContact CB-O 3.32Å; S291-C293 PolarHBondContact O-N 2.96Å; S291-C293 PolarHBondContact OG-O 2.71Å; C293-F295 VanDerWaalsContact C-N 3.33Å; C293-P296 HydrophobicContact CB-CB 4.32Å |
| 294 | K | 96.3 | Very high | 97.5 | Very high | 36 Ų | 36 | 33.7 Ų | 33.7 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -66.3 | -39 | 177.2 | -63.8 | -177.6 | 176.3 | 169.2 | 0 | 111.9 | N86 E87 V88 C139 | N86-K294 CarbonylContact O-C 3.54Å; N86-K294 WeakPolarHBondContact O-CB 3.27Å; N86-K294 VanDerWaalsContact O-O 3.1Å; E87-K294 HydrophobicContact CG-CB 4.2Å; E87-K294 HydrophobicContact CG-CD 4.15Å; E87-K294 HydrophobicContact CG-CG 4.07Å; V88-K294 PolarHBondContact N-O 3.49Å; V88-K294 VanDerWaalsContact N-O 3.09Å; C139-K294 WeakPolarHBondContact O-CB 3.43Å; C139-K294 PolarHBondContact O-N 3.17Å |
| 295 | F | 97.1 | Very high | 97.5 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -126.4 | 76.2 | -179.7 | -143.6 | -58.4 | 0 | 0 | 0 | 111.3 | Y22 V88 F132 A135 D136 T137 N138 C293 | Y22-F295 HydrophobicContact CD1-CE1 4.24Å; Y22-F295 HydrophobicContact CD2-CD1 4.46Å; Y22-F295 AromaticContact CD2-CE1 3.55Å; Y22-F295 HydrophobicContact CD2-CE1 3.55Å; Y22-F295 HydrophobicContact CD2-CZ 4.27Å; Y22-F295 HydrophobicContact CE1-CD1 4.44Å; Y22-F295 HydrophobicContact CE1-CE1 4.04Å; Y22-F295 AromaticContact CE2-CD1 3.76Å; Y22-F295 HydrophobicContact CE2-CD1 3.76Å; Y22-F295 AromaticContact CE2-CE1 3.28Å; Y22-F295 HydrophobicContact CE2-CE1 3.28Å; Y22-F295 HydrophobicContact CE2-CZ 4.34Å; Y22-F295 HydrophobicContact CG-CE1 4.02Å; Y22-F295 HydrophobicContact CG-CZ 4.37Å; Y22-F295 AromaticContact CZ-CD1 3.74Å; Y22-F295 AromaticContact CZ-CE1 3.53Å; V88-F295 HydrophobicContact CB-CD2 4.34Å; V88-F295 HydrophobicContact CB-CE2 4.31Å; V88-F295 HydrophobicContact CG1-CD2 3.56Å; V88-F295 HydrophobicContact CG1-CE2 3.38Å; V88-F295 HydrophobicContact CG1-CG 4.26Å; V88-F295 HydrophobicContact CG1-CZ 3.94Å; V88-F295 HydrophobicContact CG2-CB 4.18Å; V88-F295 HydrophobicContact CG2-CD1 3.69Å; V88-F295 HydrophobicContact CG2-CD2 3.79Å; V88-F295 HydrophobicContact CG2-CE1 3.97Å; V88-F295 HydrophobicContact CG2-CE2 4.07Å; V88-F295 HydrophobicContact CG2-CG 3.59Å; V88-F295 HydrophobicContact CG2-CZ 4.14Å; F132-F295 HydrophobicContact CE2-CZ 4.46Å; A135-F295 HydrophobicContact CB-CE2 4.15Å; D136-F295 WeakPolarHBondContact O-CD2 3.3Å; D136-F295 WeakPolarHBondContact O-CE2 3.16Å; T137-F295 HydrophobicContact CG2-CD1 4.4Å; T137-F295 HydrophobicContact CG2-CE1 3.92Å; T137-F295 HydrophobicContact CG2-CE2 4.43Å; T137-F295 HydrophobicContact CG2-CZ 3.96Å; N138-F295 VanDerWaalsContact O-CB 3.26Å; N138-F295 WeakPolarHBondContact O-CB 3.46Å; C293-F295 VanDerWaalsContact C-N 3.33Å |
| 296 | P | 96.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -64.1 | 165.6 | -178.8 | 25.7 | -32 | 0 | 0 | 0 | 112.5 | Y22 C293 L301 L304 | Y22-P296 WeakPolarHBondContact OH-CD 3.45Å; Y22-P296 PolarHBondContact OH-O 2.96Å; C293-P296 HydrophobicContact CB-CB 4.32Å; P296-L301 HydrophobicContact CG-CD2 4.41Å; P296-L304 HydrophobicContact CB-CD1 3.94Å; P296-L304 HydrophobicContact CG-CD1 3.83Å | ||
| 297 | Q | 96.2 | Very high | 97.5 | Very high | 109 Ų | 109 | 42.9 Ų | 42.9 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | trans | -73 | 144 | 176.9 | -66.7 | -71.6 | -31.8 | 0 | 0 | 110.5 | K299 E300 | Q297-K299 HydrophobicContact CB-CG 4.05Å; Q297-K299 PolarHBondContact O-N 2.88Å; Q297-E300 HydrophobicContact CB-CG 4.35Å; Q297-E300 WeakPolarHBondContact CB-OE2 3.19Å; Q297-E300 PolarHBondContact N-OE2 2.74Å; Q297-E300 WeakPolarHBondContact O-CB 3.45Å; Q297-E300 PolarHBondContact O-N 3.11Å | ||
| 298 | P | 96.3 | Very high | 97.5 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -52.9 | -33.4 | -178.5 | -29.3 | 34.9 | 0 | 0 | 0 | 114.9 | Y22 E300 L301 | Y22-P298 HydrophobicContact CD2-CG 3.96Å; Y22-P298 HydrophobicContact CE2-CG 3.8Å; P298-E300 PolarHBondContact O-N 3.17Å; P298-E300 VanDerWaalsContact O-N 3.16Å; P298-L301 HydrophobicContact CB-CD1 4.37Å; P298-L301 WeakPolarHBondContact O-CB 3.31Å; P298-L301 WeakPolarHBondContact O-CG 3.39Å; P298-L301 PolarHBondContact O-N 2.91Å |
| 299 | K | 97.4 | Very high | 97.5 | Very high | 176 Ų | 176 | 44.9 Ų | 44.9 | 77% | 0.765 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -61.6 | -19.9 | 177.2 | 67.6 | -179.9 | -179.8 | 177.2 | 0 | 114.2 | Q297 | Q297-K299 HydrophobicContact CB-CG 4.05Å; Q297-K299 PolarHBondContact O-N 2.88Å |
| 300 | E | 97.9 | Very high | 97.5 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -88.8 | -20.8 | -178.8 | -57.3 | 176.8 | 94.6 | 0 | 0 | 112 | Q297 P298 P302 A303 L304 | Q297-E300 HydrophobicContact CB-CG 4.35Å; Q297-E300 WeakPolarHBondContact CB-OE2 3.19Å; Q297-E300 PolarHBondContact N-OE2 2.74Å; Q297-E300 WeakPolarHBondContact O-CB 3.45Å; Q297-E300 PolarHBondContact O-N 3.11Å; P298-E300 PolarHBondContact O-N 3.17Å; P298-E300 VanDerWaalsContact O-N 3.16Å; E300-P302 VanDerWaalsContact C-CD 3.47Å; E300-A303 PolarHBondContact O-N 3.4Å; E300-A303 VanDerWaalsContact O-N 3.09Å; E300-L304 HydrophobicContact CB-CD1 4Å; E300-L304 HydrophobicContact CB-CG 4.5Å; E300-L304 WeakPolarHBondContact O-CG 3.49Å; E300-L304 PolarHBondContact O-N 3.19Å |
| 301 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.6 | -41.1 | -174.5 | -61.3 | 174.6 | 0 | 0 | 0 | 114.3 | F20 Y22 L89 V92 P296 P298 A303 L304 W305 | F20-L301 HydrophobicContact CB-CB 4.17Å; F20-L301 HydrophobicContact CD1-CB 4.02Å; Y22-L301 HydrophobicContact CE1-CD1 4.21Å; Y22-L301 HydrophobicContact CE1-CD2 4.15Å; L89-L301 HydrophobicContact CD1-CD2 4.05Å; V92-L301 HydrophobicContact CG1-CD1 4.34Å; V92-L301 HydrophobicContact CG1-CD2 4.38Å; V92-L301 HydrophobicContact CG2-CD1 4.39Å; V92-L301 HydrophobicContact CG2-CD2 4.34Å; P296-L301 HydrophobicContact CG-CD2 4.41Å; P298-L301 HydrophobicContact CB-CD1 4.37Å; P298-L301 WeakPolarHBondContact O-CB 3.31Å; P298-L301 WeakPolarHBondContact O-CG 3.39Å; P298-L301 PolarHBondContact O-N 2.91Å; L301-A303 VanDerWaalsContact C-N 3.34Å; L301-A303 PolarHBondContact O-N 3.09Å; L301-L304 PolarHBondContact O-N 2.72Å; L301-W305 WeakPolarHBondContact O-CB 3.36Å; L301-W305 PolarHBondContact O-N 3.02Å |
| 302 | P | 98.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 176.9 | -21.4 | 32 | 0 | 0 | 0 | 113.1 | F20 E300 M306 | F20-P302 HydrophobicContact CB-CG 3.73Å; F20-P302 HydrophobicContact CD1-CB 4.48Å; F20-P302 HydrophobicContact CD1-CG 4.29Å; F20-P302 HydrophobicContact CD2-CB 4.08Å; F20-P302 HydrophobicContact CD2-CG 3.89Å; F20-P302 HydrophobicContact CE2-CB 4.33Å; F20-P302 HydrophobicContact CG-CB 4.16Å; F20-P302 HydrophobicContact CG-CG 3.71Å; E300-P302 VanDerWaalsContact C-CD 3.47Å; P302-M306 WeakPolarHBondContact O-CG 3.28Å; P302-M306 PolarHBondContact O-N 3Å; P302-M306 VanDerWaalsContact O-N 3.1Å |
| 303 | A | 98.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.4 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E300 L301 W305 M306 D307 | E300-A303 PolarHBondContact O-N 3.4Å; E300-A303 VanDerWaalsContact O-N 3.09Å; L301-A303 VanDerWaalsContact C-N 3.34Å; L301-A303 PolarHBondContact O-N 3.09Å; A303-W305 VanDerWaalsContact C-N 3.26Å; A303-W305 PolarHBondContact O-N 3.39Å; A303-M306 WeakPolarHBondContact O-CB 3.41Å; A303-M306 PolarHBondContact O-N 2.9Å; A303-D307 PolarHBondContact O-N 3.33Å |
| 304 | L | 98.4 | Very high | 98 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -34.8 | 176.9 | -67.2 | 167.6 | 0 | 0 | 0 | 112.4 | L89 P296 E300 L301 D307 N308 | L89-L304 HydrophobicContact CD1-CB 3.84Å; L89-L304 HydrophobicContact CD1-CD1 3.9Å; L89-L304 HydrophobicContact CD1-CG 4.48Å; L89-L304 HydrophobicContact CD2-CB 4.18Å; L89-L304 HydrophobicContact CD2-CD1 4.08Å; L89-L304 HydrophobicContact CD2-CD2 4.25Å; L89-L304 HydrophobicContact CD2-CG 4.4Å; P296-L304 HydrophobicContact CB-CD1 3.94Å; P296-L304 HydrophobicContact CG-CD1 3.83Å; E300-L304 HydrophobicContact CB-CD1 4Å; E300-L304 HydrophobicContact CB-CG 4.5Å; E300-L304 WeakPolarHBondContact O-CG 3.49Å; E300-L304 PolarHBondContact O-N 3.19Å; L301-L304 PolarHBondContact O-N 2.72Å; L304-D307 PolarHBondContact O-N 2.71Å; L304-N308 PolarHBondContact O-N 3.03Å; L304-N308 PolarHBondContact O-ND2 3.34Å |
| 305 | W | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -47 | 170.4 | 165.6 | -109.6 | 0 | 0 | 0 | 112.4 | F20 L93 Q96 L97 E100 L301 A303 D307 N308 K309 L312 | F20-W305 HydrophobicContact CE1-CB 3.52Å; F20-W305 AromaticContact CE1-CD1 3.97Å; F20-W305 AromaticContact CE1-CG 3.78Å; F20-W305 HydrophobicContact CE1-CG 3.78Å; F20-W305 HydrophobicContact CZ-CB 3.98Å; F20-W305 AromaticContact CZ-CD1 3.52Å; F20-W305 AromaticContact CZ-CG 3.82Å; F20-W305 HydrophobicContact CZ-CG 3.82Å; L93-W305 HydrophobicContact CD2-CB 4.07Å; L93-W305 HydrophobicContact CD2-CE3 3.96Å; L93-W305 WeakPolarHBondContact O-CZ3 3.39Å; Q96-W305 HydrophobicContact CB-CD2 3.78Å; Q96-W305 HydrophobicContact CB-CE3 3.58Å; Q96-W305 HydrophobicContact CB-CG 4.47Å; Q96-W305 HydrophobicContact CB-CH2 4.12Å; Q96-W305 HydrophobicContact CB-CZ2 4.25Å; Q96-W305 HydrophobicContact CB-CZ3 3.77Å; L97-W305 HydrophobicContact CB-CH2 4.16Å; L97-W305 HydrophobicContact CB-CZ3 4.17Å; L97-W305 HydrophobicContact CD1-CH2 4.49Å; E100-W305 HydrophobicContact CB-CH2 4.24Å; E100-W305 HydrophobicContact CB-CZ2 3.99Å; E100-W305 HydrophobicContact CG-CZ2 4.28Å; L301-W305 WeakPolarHBondContact O-CB 3.36Å; L301-W305 PolarHBondContact O-N 3.02Å; A303-W305 VanDerWaalsContact C-N 3.26Å; A303-W305 PolarHBondContact O-N 3.39Å; W305-D307 PolarHBondContact O-N 3.26Å; W305-N308 PolarHBondContact O-N 3.23Å; W305-N308 VanDerWaalsContact O-N 3.13Å; W305-K309 HydrophobicContact CD2-CB 4.21Å; W305-K309 HydrophobicContact CE3-CB 4.45Å; W305-K309 HydrophobicContact CH2-CB 4.08Å; W305-K309 HydrophobicContact CH2-CD 4.47Å; W305-K309 HydrophobicContact CH2-CG 3.96Å; W305-K309 HydrophobicContact CZ2-CB 3.85Å; W305-K309 HydrophobicContact CZ2-CD 3.62Å; W305-K309 HydrophobicContact CZ2-CG 3.59Å; W305-K309 HydrophobicContact CZ3-CB 4.38Å; W305-K309 WeakPolarHBondContact O-CB 3.44Å; W305-K309 PolarHBondContact O-N 3.39Å; W305-L312 HydrophobicContact CZ3-CD1 3.89Å |
| 306 | M | 98.6 | Very high | 98.3 | Very high | 129 Ų | 129 | 46.7 Ų | 46.7 | 64% | 0.635 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.9 | -36.5 | 177.4 | -72.8 | -60.2 | -58.9 | 0 | 0 | 112.1 | P302 A303 N308 | P302-M306 WeakPolarHBondContact O-CG 3.28Å; P302-M306 PolarHBondContact O-N 3Å; P302-M306 VanDerWaalsContact O-N 3.1Å; A303-M306 WeakPolarHBondContact O-CB 3.41Å; A303-M306 PolarHBondContact O-N 2.9Å; M306-N308 VanDerWaalsContact C-N 3.3Å; M306-N308 PolarHBondContact O-N 3.31Å |
| 307 | D | 98.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 49 Ų | 49 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.8 | -30.8 | 177.8 | -68.8 | -17.1 | 0 | 0 | 0 | 113 | H241 A242 A303 L304 W305 | H241-D307 WeakPolarHBondContact CA-O 3.23Å; H241-D307 PolarHBondContact CD2-O 2.94Å; A242-D307 HydrophobicContact CB-CB 3.75Å; A242-D307 WeakPolarHBondContact CB-OD1 3.46Å; A242-D307 PolarHBondContact N-O 3.31Å; A242-D307 VanDerWaalsContact N-O 3.16Å; A303-D307 PolarHBondContact O-N 3.33Å; L304-D307 PolarHBondContact O-N 2.71Å; W305-D307 PolarHBondContact O-N 3.26Å |
| 308 | N | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -103.4 | -26.1 | -173.1 | -78 | -85.6 | 0 | 0 | 0 | 114.7 | L93 Y237 H241 L304 W305 M306 K310 A311 L312 | L93-N308 HydrophobicContact CD1-CB 3.65Å; Y237-N308 PolarHBondContact OH-OD1 3.26Å; H241-N308 VanDerWaalsContact CD2-CG 3.44Å; H241-N308 PolarHBondContact CD2-OD1 3.45Å; H241-N308 PolarHBondContact NE2-ND2 2.78Å; H241-N308 VanDerWaalsContact NE2-ND2 3.15Å; H241-N308 PolarHBondContact NE2-OD1 3.07Å; L304-N308 PolarHBondContact O-N 3.03Å; L304-N308 PolarHBondContact O-ND2 3.34Å; W305-N308 PolarHBondContact O-N 3.23Å; W305-N308 VanDerWaalsContact O-N 3.13Å; M306-N308 VanDerWaalsContact C-N 3.3Å; M306-N308 PolarHBondContact O-N 3.31Å; N308-K310 VanDerWaalsContact C-N 3.3Å; N308-K310 PolarHBondContact O-N 3.09Å; N308-A311 WeakPolarHBondContact O-CA 3.44Å; N308-A311 WeakPolarHBondContact O-CB 3.5Å; N308-A311 PolarHBondContact O-N 2.85Å; N308-L312 HydrophobicContact CB-CD1 4.25Å; N308-L312 PolarHBondContact O-N 2.86Å |
| 309 | K | 98.8 | Very high | 98.6 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 21% | 0.213 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -50.1 | -48.4 | -172.2 | 173.7 | 179 | 174.4 | 168 | 0 | 112.7 | E100 W305 L313 | E100-K309 VanDerWaalsContact CD-CE 3.42Å; E100-K309 VanDerWaalsContact OE1-CE 3.23Å; E100-K309 WeakPolarHBondContact OE1-CE 3.46Å; E100-K309 IonicContact OE1-NZ 3.65Å; E100-K309 PolarHBondContact OE1-NZ 2.76Å; E100-K309 IonicContact OE2-NZ 3.87Å; E100-K309 PolarHBondContact OE2-NZ 3.11Å; W305-K309 HydrophobicContact CD2-CB 4.21Å; W305-K309 HydrophobicContact CE3-CB 4.45Å; W305-K309 HydrophobicContact CH2-CB 4.08Å; W305-K309 HydrophobicContact CH2-CD 4.47Å; W305-K309 HydrophobicContact CH2-CG 3.96Å; W305-K309 HydrophobicContact CZ2-CB 3.85Å; W305-K309 HydrophobicContact CZ2-CD 3.62Å; W305-K309 HydrophobicContact CZ2-CG 3.59Å; W305-K309 HydrophobicContact CZ3-CB 4.38Å; W305-K309 WeakPolarHBondContact O-CB 3.44Å; W305-K309 PolarHBondContact O-N 3.39Å; K309-L313 HydrophobicContact CG-CD1 4.34Å; K309-L313 WeakPolarHBondContact O-CG 3.4Å; K309-L313 PolarHBondContact O-N 3.29Å |
| 310 | K | 98.8 | Very high | 98.7 | Very high | 135 Ų | 135 | 33.1 Ų | 33.1 | 59% | 0.587 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -65.5 | -41.3 | 179.9 | -169.8 | -171.4 | -179.7 | -157 | 0 | 111.6 | N240 N308 A314 | N240-K310 HydrophobicContact CB-CD 4.41Å; N240-K310 HydrophobicContact CB-CG 4.32Å; N240-K310 WeakPolarHBondContact OD1-CE 3.48Å; N240-K310 PolarHBondContact OD1-NZ 2.79Å; N240-K310 VanDerWaalsContact OD1-NZ 3.12Å; N308-K310 VanDerWaalsContact C-N 3.3Å; N308-K310 PolarHBondContact O-N 3.09Å; K310-A314 WeakPolarHBondContact O-CB 3.16Å; K310-A314 PolarHBondContact O-N 3.43Å |
| 311 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y237 N240 H241 N308 L313 A314 Y315 | Y237-A311 HydrophobicContact CD1-CB 4.07Å; Y237-A311 HydrophobicContact CD2-CB 3.82Å; Y237-A311 HydrophobicContact CE1-CB 3.94Å; Y237-A311 HydrophobicContact CE2-CB 3.68Å; Y237-A311 HydrophobicContact CG-CB 4.01Å; Y237-A311 WeakPolarHBondContact O-CB 3.47Å; N240-A311 HydrophobicContact CB-CB 4.07Å; H241-A311 HydrophobicContact CB-CB 4.27Å; N308-A311 WeakPolarHBondContact O-CA 3.44Å; N308-A311 WeakPolarHBondContact O-CB 3.5Å; N308-A311 PolarHBondContact O-N 2.85Å; A311-L313 PolarHBondContact O-N 3.27Å; A311-A314 PolarHBondContact O-N 2.87Å; A311-Y315 VanDerWaalsContact O-CB 3.28Å; A311-Y315 WeakPolarHBondContact O-CB 3.24Å; A311-Y315 PolarHBondContact O-N 3.25Å |
| 312 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -50 | 177 | -69.6 | 165.6 | 0 | 0 | 0 | 111.3 | Y79 L93 L97 L197 Y237 W305 N308 Y315 I316 | Y79-L312 HydrophobicContact CE1-CD2 4.13Å; Y79-L312 HydrophobicContact CE2-CB 4.39Å; Y79-L312 HydrophobicContact CE2-CD2 3.79Å; Y79-L312 WeakPolarHBondContact OH-CA 3.25Å; Y79-L312 PolarHBondContact OH-O 3.32Å; L93-L312 HydrophobicContact CB-CD1 4.21Å; L93-L312 HydrophobicContact CD1-CD1 4.39Å; L97-L312 HydrophobicContact CD2-CB 4.49Å; L197-L312 HydrophobicContact CD2-CD2 4.29Å; Y237-L312 HydrophobicContact CE2-CD2 3.96Å; Y237-L312 HydrophobicContact CE2-CG 4.21Å; W305-L312 HydrophobicContact CZ3-CD1 3.89Å; N308-L312 HydrophobicContact CB-CD1 4.25Å; N308-L312 PolarHBondContact O-N 2.86Å; L312-Y315 PolarHBondContact O-N 2.84Å; L312-I316 WeakPolarHBondContact O-CG1 3.38Å; L312-I316 PolarHBondContact O-N 2.93Å; L312-I316 VanDerWaalsContact O-N 3.16Å |
| 313 | L | 98.8 | Very high | 98.8 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 179.5 | -68.2 | 172 | 0 | 0 | 0 | 112.4 | L97 L101 W111 L115 K309 A311 Y315 I316 Q317 | L97-L313 HydrophobicContact CD1-CD2 3.83Å; L97-L313 HydrophobicContact CD1-CG 4.37Å; L101-L313 HydrophobicContact CD2-CD2 4.19Å; W111-L313 HydrophobicContact CE3-CD2 4.48Å; W111-L313 HydrophobicContact CH2-CD1 4.46Å; W111-L313 HydrophobicContact CZ3-CD1 4.14Å; W111-L313 HydrophobicContact CZ3-CD2 3.8Å; L115-L313 HydrophobicContact CD2-CD2 4.27Å; K309-L313 HydrophobicContact CG-CD1 4.34Å; K309-L313 WeakPolarHBondContact O-CG 3.4Å; K309-L313 PolarHBondContact O-N 3.29Å; A311-L313 PolarHBondContact O-N 3.27Å; L313-Y315 VanDerWaalsContact C-N 3.26Å; L313-Y315 PolarHBondContact O-N 3.32Å; L313-I316 PolarHBondContact O-N 3.2Å; L313-Q317 WeakPolarHBondContact O-CG 3.48Å; L313-Q317 PolarHBondContact O-N 2.79Å |
| 314 | A | 98.8 | Very high | 98.8 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 10% | 0.099 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V236 N240 K310 A311 Q318 | V236-A314 HydrophobicContact CG1-CB 4.13Å; N240-A314 HydrophobicContact CB-CB 4.26Å; K310-A314 WeakPolarHBondContact O-CB 3.16Å; K310-A314 PolarHBondContact O-N 3.43Å; A311-A314 PolarHBondContact O-N 2.87Å; A314-Q318 WeakPolarHBondContact O-CG 3.41Å; A314-Q318 PolarHBondContact O-NE2 3.39Å |
| 315 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.2 | -42.8 | 177.7 | -173.6 | -97.1 | 0 | 0 | 0 | 112.4 | F77 Y79 L193 S194 A195 L233 Y237 L286 A311 L312 L313 Q317 Q318 | F77-Y315 AromaticContact CE2-CD1 3.75Å; F77-Y315 HydrophobicContact CE2-CD1 3.75Å; F77-Y315 AromaticContact CE2-CE1 3.81Å; F77-Y315 HydrophobicContact CE2-CE1 3.81Å; F77-Y315 AromaticContact CZ-CD1 3.87Å; F77-Y315 HydrophobicContact CZ-CD1 3.87Å; F77-Y315 HydrophobicContact CZ-CE1 4.08Å; Y79-Y315 HydrophobicContact CE1-CD1 4.02Å; Y79-Y315 HydrophobicContact CE1-CE1 4.35Å; Y79-Y315 AromaticContact CZ-CD1 3.83Å; Y79-Y315 WeakPolarHBondContact OH-CB 3.37Å; Y79-Y315 WeakPolarHBondContact OH-CD1 3.39Å; L193-Y315 HydrophobicContact CD1-CE1 4.28Å; L193-Y315 WeakPolarHBondContact CD1-OH 3.18Å; L193-Y315 HydrophobicContact CD2-CD1 4.46Å; L193-Y315 HydrophobicContact CD2-CE1 4.13Å; L193-Y315 WeakPolarHBondContact CD2-O 3.39Å; L193-Y315 HydrophobicContact CG-CE1 4.01Å; S194-Y315 WeakPolarHBondContact O-CE1 3.05Å; S194-Y315 PolarHBondContact O-OH 2.82Å; A195-Y315 HydrophobicContact CB-CD1 4.37Å; A195-Y315 HydrophobicContact CB-CE1 3.65Å; L233-Y315 HydrophobicContact CB-CE2 4.06Å; L233-Y315 HydrophobicContact CD2-CE2 4.28Å; Y237-Y315 HydrophobicContact CD2-CD2 4.5Å; Y237-Y315 HydrophobicContact CD2-CG 4.32Å; L286-Y315 HydrophobicContact CD1-CE2 3.54Å; L286-Y315 HydrophobicContact CG-CE2 4.14Å; L286-Y315 VanDerWaalsContact CG-OH 3.31Å; L286-Y315 WeakPolarHBondContact CG-OH 3.18Å; A311-Y315 VanDerWaalsContact O-CB 3.28Å; A311-Y315 WeakPolarHBondContact O-CB 3.24Å; A311-Y315 PolarHBondContact O-N 3.25Å; L312-Y315 PolarHBondContact O-N 2.84Å; L313-Y315 VanDerWaalsContact C-N 3.26Å; L313-Y315 PolarHBondContact O-N 3.32Å; Y315-Q317 PolarHBondContact O-N 3.04Å; Y315-Q318 WeakPolarHBondContact O-CB 3.48Å; Y315-Q318 PolarHBondContact O-N 2.96Å |
| 316 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.7 | -43.3 | 174.2 | -60.4 | 163.8 | 0 | 0 | 0 | 110.2 | F77 Y79 L97 L115 T119 I121 L312 L313 Q318 V319 | F77-I316 HydrophobicContact CD1-CG1 4.09Å; F77-I316 HydrophobicContact CD1-CG2 4.2Å; F77-I316 HydrophobicContact CD2-CG2 4.29Å; F77-I316 HydrophobicContact CE1-CD1 4.48Å; F77-I316 HydrophobicContact CE1-CG1 3.64Å; F77-I316 HydrophobicContact CE2-CB 4.38Å; F77-I316 HydrophobicContact CE2-CG1 4.14Å; F77-I316 HydrophobicContact CG-CG2 4.08Å; F77-I316 HydrophobicContact CZ-CB 4.4Å; F77-I316 HydrophobicContact CZ-CG1 3.68Å; Y79-I316 HydrophobicContact CD2-CG1 4.45Å; Y79-I316 HydrophobicContact CE2-CD1 4Å; Y79-I316 HydrophobicContact CE2-CG1 3.74Å; L97-I316 HydrophobicContact CD2-CD1 4.18Å; L115-I316 HydrophobicContact CD1-CB 4.48Å; L115-I316 HydrophobicContact CD1-CG2 3.86Å; L115-I316 HydrophobicContact CD2-CB 4.49Å; L115-I316 HydrophobicContact CD2-CD1 4.47Å; L115-I316 HydrophobicContact CD2-CG2 4.15Å; L115-I316 HydrophobicContact CG-CG2 4.25Å; T119-I316 HydrophobicContact CG2-CG2 4.4Å; I121-I316 HydrophobicContact CD1-CD1 4.42Å; I121-I316 HydrophobicContact CD1-CG2 3.99Å; I121-I316 HydrophobicContact CG1-CG2 4.07Å; L312-I316 WeakPolarHBondContact O-CG1 3.38Å; L312-I316 PolarHBondContact O-N 2.93Å; L312-I316 VanDerWaalsContact O-N 3.16Å; L313-I316 PolarHBondContact O-N 3.2Å; I316-Q318 PolarHBondContact O-N 2.84Å; I316-Q318 VanDerWaalsContact O-N 3.1Å; I316-V319 WeakPolarHBondContact O-CB 3.39Å; I316-V319 WeakPolarHBondContact O-CG1 3.5Å; I316-V319 PolarHBondContact O-N 3.31Å; I316-V319 VanDerWaalsContact O-N 3.09Å |
| 317 | Q | 98.6 | Very high | 98.8 | Very high | 52 Ų | 52 | 18.8 Ų | 18.8 | 24% | 0.243 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.2 | -25.2 | 178.7 | -72.1 | 174.1 | -20.4 | 0 | 0 | 113.3 | L115 L313 Y315 V319 H320 Y393 | L115-Q317 HydrophobicContact CD1-CG 3.89Å; L313-Q317 WeakPolarHBondContact O-CG 3.48Å; L313-Q317 PolarHBondContact O-N 2.79Å; Y315-Q317 PolarHBondContact O-N 3.04Å; Q317-V319 PolarHBondContact O-N 2.94Å; Q317-H320 WeakPolarHBondContact O-CB 3.49Å; Q317-H320 PolarHBondContact O-N 3.36Å; Q317-Y393 HydrophobicContact CG-CE1 4.12Å; Q317-Y393 PolarHBondContact NE2-OH 3.38Å |
| 318 | Q | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 2% | 0.023 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -69.4 | -12.6 | 179 | -58 | -54.8 | -62 | 0 | 0 | 113.9 | L193 H232 L233 V236 A314 Y315 I316 H320 L321 Y388 | L193-Q318 HydrophobicContact CD2-CB 3.88Å; H232-Q318 PolarHBondContact NE2-OE1 3.21Å; L233-Q318 HydrophobicContact CD2-CB 3.39Å; L233-Q318 HydrophobicContact CD2-CG 3.89Å; V236-Q318 HydrophobicContact CB-CG 4.26Å; V236-Q318 HydrophobicContact CG1-CG 3.79Å; V236-Q318 HydrophobicContact CG2-CG 4.19Å; A314-Q318 WeakPolarHBondContact O-CG 3.41Å; A314-Q318 PolarHBondContact O-NE2 3.39Å; Y315-Q318 WeakPolarHBondContact O-CB 3.48Å; Y315-Q318 PolarHBondContact O-N 2.96Å; I316-Q318 PolarHBondContact O-N 2.84Å; I316-Q318 VanDerWaalsContact O-N 3.1Å; Q318-H320 PolarHBondContact O-N 3.33Å; Q318-L321 HydrophobicContact CB-CD1 4.13Å; Q318-L321 WeakPolarHBondContact O-CB 3.33Å; Q318-L321 WeakPolarHBondContact O-CG 3.31Å; Q318-L321 PolarHBondContact O-N 2.04Å; Q318-Y388 PolarHBondContact NE2-OH 3.01Å |
| 319 | V | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -60 | -13.3 | 172 | 78.9 | 0 | 0 | 0 | 0 | 112.5 | P75 F77 T119 V192 L193 I316 Q317 | P75-V319 HydrophobicContact CB-CG2 3.68Å; P75-V319 HydrophobicContact CG-CG1 3.9Å; P75-V319 HydrophobicContact CG-CG2 4Å; F77-V319 HydrophobicContact CB-CG2 4.33Å; F77-V319 HydrophobicContact CD2-CB 4.33Å; T119-V319 HydrophobicContact CG2-CG1 3.92Å; V192-V319 HydrophobicContact CB-CG2 3.85Å; V192-V319 HydrophobicContact CG1-CG2 4.02Å; L193-V319 HydrophobicContact CB-CB 4.05Å; L193-V319 HydrophobicContact CB-CG2 3.8Å; L193-V319 HydrophobicContact CD2-CB 4.12Å; I316-V319 WeakPolarHBondContact O-CB 3.39Å; I316-V319 WeakPolarHBondContact O-CG1 3.5Å; I316-V319 PolarHBondContact O-N 3.31Å; I316-V319 VanDerWaalsContact O-N 3.09Å; Q317-V319 PolarHBondContact O-N 2.94Å |
| 320 | H | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -96.7 | 12.2 | 177.2 | -59.4 | -46.3 | 0 | 0 | 0 | 114.2 | S118 T119 Q317 Q318 G389 Y393 S394 A395 | S118-H320 PolarHBondContact O-CE1 3.14Å; S118-H320 PolarHBondContact OG-CE1 3.45Å; S118-H320 PolarHBondContact OG-NE2 2.95Å; T119-H320 PolarHBondContact OG1-CE1 3.31Å; T119-H320 PolarHBondContact OG1-NE2 3.41Å; Q317-H320 WeakPolarHBondContact O-CB 3.49Å; Q317-H320 PolarHBondContact O-N 3.36Å; Q318-H320 PolarHBondContact O-N 3.33Å; H320-G389 CarbonylContact O-C 3.33Å; H320-G389 WeakPolarHBondContact O-CA 3.33Å; H320-Y393 VanDerWaalsContact CD2-C 3.46Å; H320-Y393 WeakPolarHBondContact CD2-CA 3.45Å; H320-Y393 PolarHBondContact CE1-O 3.15Å; H320-Y393 VanDerWaalsContact CG-C 3.41Å; H320-Y393 PolarHBondContact ND1-O 2.89Å; H320-S394 CarbonylContact O-C 3.59Å; H320-A395 WeakPolarHBondContact O-CA 3.32Å; H320-A395 PolarHBondContact O-N 3.1Å; H320-A395 VanDerWaalsContact O-N 3.11Å |
| 321 | L | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | trans | -68.4 | 158.2 | 168.1 | -75.2 | 168.6 | 0 | 0 | 0 | 111.9 | L233 Q318 L362 Y388 P390 A395 | L233-L321 HydrophobicContact CD2-CD1 4.15Å; Q318-L321 HydrophobicContact CB-CD1 4.13Å; Q318-L321 WeakPolarHBondContact O-CB 3.33Å; Q318-L321 WeakPolarHBondContact O-CG 3.31Å; Q318-L321 PolarHBondContact O-N 2.04Å; L321-L362 HydrophobicContact CB-CD2 4.05Å; L321-Y388 HydrophobicContact CD2-CD2 3.89Å; L321-Y388 HydrophobicContact CD2-CE2 3.75Å; L321-P390 HydrophobicContact CD2-CG 3.67Å; L321-P390 HydrophobicContact CG-CG 3.73Å; L321-A395 WeakPolarHBondContact O-CB 3.36Å | ||
| 322 | G | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 74.3 | -139.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R361 L363 A395 M396 | G322-R361 VanDerWaalsContact CA-O 3.31Å; G322-R361 WeakPolarHBondContact CA-O 3.35Å; G322-L363 WeakPolarHBondContact CA-O 3.3Å; G322-L363 PolarHBondContact N-O 2.97Å; G322-L363 VanDerWaalsContact N-O 3.11Å; G322-A395 WeakPolarHBondContact O-CB 3.48Å; G322-M396 PolarHBondContact O-N 3.13Å |
| 323 | V | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.2 | -172.7 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | Y359 R361 F370 L384 V386 M396 H398 | V323-Y359 HydrophobicContact CB-CE2 4.43Å; V323-Y359 HydrophobicContact CG1-CE2 4.02Å; V323-Y359 WeakPolarHBondContact CG1-OH 3.44Å; V323-R361 PolarHBondContact N-O 2.85Å; V323-R361 PolarHBondContact O-N 3.22Å; V323-F370 HydrophobicContact CB-CZ 4.03Å; V323-F370 HydrophobicContact CG2-CE2 4.17Å; V323-F370 HydrophobicContact CG2-CZ 3.8Å; V323-L384 HydrophobicContact CG1-CD1 4.06Å; V323-L384 HydrophobicContact CG2-CD1 4.4Å; V323-V386 HydrophobicContact CG2-CB 4.48Å; V323-V386 HydrophobicContact CG2-CG1 4.28Å; V323-V386 HydrophobicContact CG2-CG2 3.43Å; V323-V386 VanDerWaalsContact CG2-CG2 3.43Å; V323-M396 CarbonylContact C-O 3.55Å; V323-M396 WeakPolarHBondContact CA-O 3.46Å; V323-M396 WeakPolarHBondContact CG1-O 3.44Å; V323-M396 HydrophobicContact CG2-CB 4.4Å; V323-M396 HydrophobicContact CG2-SD 4.44Å; V323-H398 HydrophobicContact CG1-CB 3.84Å |
| 324 | K | 98.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 159.1 | 171.1 | 67.3 | -179.1 | 172.1 | -178.8 | 0 | 111.2 | G73 Y359 Y360 S394 A395 M396 K397 H398 | G73-K324 WeakPolarHBondContact O-CE 3.36Å; G73-K324 PolarHBondContact O-NZ 3.29Å; K324-Y359 VanDerWaalsContact CA-O 3.31Å; K324-Y359 WeakPolarHBondContact CA-O 3.33Å; K324-Y360 HydrophobicContact CB-CD1 3.52Å; K324-Y360 HydrophobicContact CB-CE1 3.75Å; K324-Y360 HydrophobicContact CB-CG 4.29Å; K324-Y360 HydrophobicContact CD-CD1 4.17Å; K324-Y360 HydrophobicContact CD-CE1 3.75Å; K324-Y360 HydrophobicContact CG-CD1 4.49Å; K324-Y360 HydrophobicContact CG-CE1 4.37Å; K324-S394 VanDerWaalsContact CE-OG 3.22Å; K324-S394 WeakPolarHBondContact CE-OG 2.87Å; K324-S394 PolarHBondContact NZ-OG 3.28Å; K324-A395 HydrophobicContact CB-CB 4.28Å; K324-A395 HydrophobicContact CD-CB 4.04Å; K324-A395 HydrophobicContact CG-CB 3.91Å; K324-M396 PolarHBondContact N-O 3.08Å; K324-K397 HydrophobicContact CG-CG 4.35Å; K324-K397 CarbonylContact O-C 3.59Å; K324-K397 VanDerWaalsContact O-CA 3.26Å; K324-K397 WeakPolarHBondContact O-CA 3.38Å; K324-H398 PolarHBondContact O-N 3.35Å |
| 325 | G | 98.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.9 | -154.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E358 Y359 H398 | G325-E358 CarbonylContact O-C 3.51Å; G325-E358 WeakPolarHBondContact O-CA 3.17Å; G325-Y359 PolarHBondContact N-O 2.81Å; G325-Y359 VanDerWaalsContact N-O 3.11Å; G325-Y359 VanDerWaalsContact O-CD1 3.27Å; G325-Y359 WeakPolarHBondContact O-CD1 3.31Å; G325-Y359 PolarHBondContact O-N 3.39Å; G325-H398 VanDerWaalsContact CA-O 3.32Å; G325-H398 WeakPolarHBondContact CA-O 3.24Å |
| 326 | Q | 98.7 | Very high | 97.1 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.5 | -175.1 | -67.8 | 177 | -79.5 | 0 | 0 | 112.1 | V72 F328 H356 G357 E358 N399 F400 | V72-Q326 HydrophobicContact CG1-CG 4.25Å; Q326-F328 HydrophobicContact CB-CD2 4.27Å; Q326-F328 HydrophobicContact CB-CE1 4.29Å; Q326-F328 HydrophobicContact CB-CE2 3.53Å; Q326-F328 HydrophobicContact CB-CZ 3.54Å; Q326-F328 HydrophobicContact CG-CZ 4.26Å; Q326-H356 PolarHBondContact NE2-O 2.81Å; Q326-G357 CarbonylContact C-O 3.47Å; Q326-G357 VanDerWaalsContact CA-O 3.22Å; Q326-G357 WeakPolarHBondContact CA-O 3.41Å; Q326-E358 HydrophobicContact CG-CB 4.47Å; Q326-E358 HydrophobicContact CG-CG 3.69Å; Q326-N399 PolarHBondContact N-OD1 3.06Å; Q326-N399 CarbonylContact O-C 3.34Å; Q326-N399 WeakPolarHBondContact O-CA 3.39Å; Q326-N399 WeakPolarHBondContact O-CB 3.36Å; Q326-F400 PolarHBondContact O-N 2.98Å |
| 327 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.5 | 167.8 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | P334 V335 A338 V340 T353 G357 Y359 V372 F400 L402 | V327-P334 WeakPolarHBondContact O-CA 3.34Å; V327-V335 HydrophobicContact CG1-CB 4.22Å; V327-V335 PolarHBondContact O-N 3.15Å; V327-A338 HydrophobicContact CB-CB 4.24Å; V327-A338 HydrophobicContact CG1-CB 3.95Å; V327-A338 HydrophobicContact CG2-CB 4.32Å; V327-V340 HydrophobicContact CG2-CG2 3.84Å; V327-T353 HydrophobicContact CB-CG2 3.94Å; V327-T353 HydrophobicContact CG2-CG2 3.45Å; V327-T353 VanDerWaalsContact CG2-CG2 3.45Å; V327-G357 PolarHBondContact N-O 3.35Å; V327-Y359 HydrophobicContact CG2-CD1 4.17Å; V327-V372 HydrophobicContact CG1-CG1 4.08Å; V327-V372 HydrophobicContact CG2-CG1 4.05Å; V327-F400 CarbonylContact C-O 3.54Å; V327-F400 WeakPolarHBondContact CA-O 3.46Å; V327-F400 HydrophobicContact CG1-CB 4.46Å; V327-F400 HydrophobicContact CG2-CB 4.23Å; V327-F400 HydrophobicContact CG2-CD2 4.25Å; V327-L402 HydrophobicContact CG1-CD1 3.74Å; V327-L402 HydrophobicContact CG1-CG 3.82Å |
| 328 | F | 98.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 37.3 Ų | 37.3 | 18% | 0.184 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152.1 | 177.7 | -61.1 | -79.3 | 0 | 0 | 0 | 111.5 | Q326 G332 M333 P334 N399 F400 K401 L402 | Q326-F328 HydrophobicContact CB-CD2 4.27Å; Q326-F328 HydrophobicContact CB-CE1 4.29Å; Q326-F328 HydrophobicContact CB-CE2 3.53Å; Q326-F328 HydrophobicContact CB-CZ 3.54Å; Q326-F328 HydrophobicContact CG-CZ 4.26Å; F328-G332 VanDerWaalsContact CD1-O 3.31Å; F328-G332 WeakPolarHBondContact CD1-O 3.41Å; F328-M333 CarbonylContact C-O 3.5Å; F328-M333 VanDerWaalsContact CA-O 3.27Å; F328-M333 WeakPolarHBondContact CA-O 3.24Å; F328-P334 HydrophobicContact CD1-CB 4.43Å; F328-P334 HydrophobicContact CE1-CB 4.34Å; F328-N399 HydrophobicContact CD2-CB 4.2Å; F328-N399 HydrophobicContact CE2-CB 3.94Å; F328-F400 PolarHBondContact N-O 3.12Å; F328-K401 CarbonylContact O-C 3.49Å; F328-K401 WeakPolarHBondContact O-CA 3.1Å; F328-L402 PolarHBondContact O-N 3.09Å |
| 329 | D | 94.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 37.3 Ų | 37.3 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | trans | -82 | -176.9 | 169.8 | 77.5 | -1.8 | 0 | 0 | 0 | 112.2 | W331 G332 M333 V335 K401 | D329-W331 PolarHBondContact O-N 2.95Å; D329-W331 VanDerWaalsContact O-N 3.16Å; D329-W331 WeakPolarHBondContact OD1-CA 3.42Å; D329-W331 WeakPolarHBondContact OD1-CB 3.34Å; D329-W331 PolarHBondContact OD1-N 3.23Å; D329-G332 PolarHBondContact O-N 2.63Å; D329-G332 VanDerWaalsContact O-N 3.07Å; D329-G332 PolarHBondContact OD1-N 3.45Å; D329-M333 PolarHBondContact N-O 2.82Å; D329-M333 PolarHBondContact OD1-N 2.7Å; D329-V335 HydrophobicContact CB-CG2 3.81Å; D329-K401 VanDerWaalsContact O-CE 3.3Å; D329-K401 WeakPolarHBondContact O-CE 3.12Å | ||
| 330 | G | 89.8 | Confident | 96.8 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -27.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | K401 L402 | G330-K401 WeakPolarHBondContact O-CE 3.36Å; G330-K401 PolarHBondContact O-NZ 3.07Å; G330-L402 PolarHBondContact N-O 2.9Å |
| 331 | W | 90.3 | Very high | 96.7 | Very high | 208 Ų | 208 | 40.3 Ų | 40.3 | 79% | 0.788 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -3.5 | -179.3 | -55.1 | 109.2 | 0 | 0 | 0 | 113.3 | D329 | D329-W331 PolarHBondContact O-N 2.95Å; D329-W331 VanDerWaalsContact O-N 3.16Å; D329-W331 WeakPolarHBondContact OD1-CA 3.42Å; D329-W331 WeakPolarHBondContact OD1-CB 3.34Å; D329-W331 PolarHBondContact OD1-N 3.23Å |
| 332 | G | 92.8 | Very high | 96.6 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 40% | 0.402 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 83.4 | 15.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F328 D329 | F328-G332 VanDerWaalsContact CD1-O 3.31Å; F328-G332 WeakPolarHBondContact CD1-O 3.41Å; D329-G332 PolarHBondContact O-N 2.63Å; D329-G332 VanDerWaalsContact O-N 3.07Å; D329-G332 PolarHBondContact OD1-N 3.45Å |
| 333 | M | 96.1 | Very high | 96.5 | Very high | 118 Ų | 118 | 45.6 Ų | 45.6 | 58% | 0.581 | 24% | 0.239 | S | C | * | . | trans | -85.6 | 138.1 | 175 | -65 | -61.2 | -65.7 | 0 | 0 | 110.5 | F328 D329 | F328-M333 CarbonylContact C-O 3.5Å; F328-M333 VanDerWaalsContact CA-O 3.27Å; F328-M333 WeakPolarHBondContact CA-O 3.24Å; D329-M333 PolarHBondContact N-O 2.82Å; D329-M333 PolarHBondContact OD1-N 2.7Å | ||
| 334 | P | 97.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 49 Ų | 49 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 136.6 | 177.7 | 26 | -33.2 | 0 | 0 | 0 | 111 | V327 F328 H356 | V327-P334 WeakPolarHBondContact O-CA 3.34Å; F328-P334 HydrophobicContact CD1-CB 4.43Å; F328-P334 HydrophobicContact CE1-CB 4.34Å; P334-H356 VanDerWaalsContact CB-O 3.26Å; P334-H356 WeakPolarHBondContact CB-O 3.1Å |
| 335 | V | 97.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | trans | -104.3 | 110.4 | -176.7 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | V327 D329 A338 T353 G357 Y374 | V327-V335 HydrophobicContact CG1-CB 4.22Å; V327-V335 PolarHBondContact O-N 3.15Å; D329-V335 HydrophobicContact CB-CG2 3.81Å; V335-A338 HydrophobicContact CB-CB 4.44Å; V335-A338 HydrophobicContact CG1-CB 3.91Å; V335-T353 WeakPolarHBondContact O-CB 3.45Å; V335-T353 PolarHBondContact O-OG1 2.89Å; V335-G357 VanDerWaalsContact O-CA 3.31Å; V335-G357 WeakPolarHBondContact O-CA 3.38Å; V335-Y374 HydrophobicContact CG1-CD1 3.61Å; V335-Y374 HydrophobicContact CG1-CD2 3.57Å; V335-Y374 HydrophobicContact CG1-CE1 3.69Å; V335-Y374 HydrophobicContact CG1-CE2 3.62Å; V335-Y374 HydrophobicContact CG1-CG 3.58Å | ||
| 336 | Q | 97.3 | Very high | 95.7 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 146.3 | 170.2 | -179 | 178.9 | 20 | 0 | 0 | 111.1 | A338 N354 Y374 | Q336-A338 PolarHBondContact O-N 2.79Å; Q336-N354 WeakPolarHBondContact CA-O 2.97Å; Q336-N354 WeakPolarHBondContact CG-O 2.92Å; Q336-Y374 WeakPolarHBondContact O-CE2 3.33Å |
| 337 | N | 96.4 | Very high | 95.3 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 15.9 | 177.2 | -63.6 | -37.8 | 0 | 0 | 0 | 115.9 | R352 T353 | N337-R352 PolarHBondContact O-NH1 2.74Å; N337-T353 PolarHBondContact N-O 2.68Å; N337-T353 PolarHBondContact N-OG1 3.33Å |
| 338 | A | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -64.9 | 133.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V327 V335 Q336 R352 T353 Y374 | V327-A338 HydrophobicContact CB-CB 4.24Å; V327-A338 HydrophobicContact CG1-CB 3.95Å; V327-A338 HydrophobicContact CG2-CB 4.32Å; V335-A338 HydrophobicContact CB-CB 4.44Å; V335-A338 HydrophobicContact CG1-CB 3.91Å; Q336-A338 PolarHBondContact O-N 2.79Å; A338-R352 CarbonylContact O-C 3.58Å; A338-R352 WeakPolarHBondContact O-CA 3.23Å; A338-T353 HydrophobicContact CB-CG2 4.13Å; A338-T353 PolarHBondContact N-OG1 3.05Å; A338-T353 PolarHBondContact O-N 3.17Å; A338-Y374 HydrophobicContact CB-CD2 4.21Å; A338-Y374 HydrophobicContact CB-CG 4.47Å | ||
| 339 | V | 97.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.6 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 108.5 | E341 P350 F351 R352 V372 S373 | V339-E341 HydrophobicContact CG1-CG 3.61Å; V339-P350 HydrophobicContact CG1-CB 3.88Å; V339-F351 WeakPolarHBondContact CA-O 3.43Å; V339-R352 HydrophobicContact CG2-CG 4.15Å; V339-V372 CarbonylContact O-C 3.54Å; V339-V372 VanDerWaalsContact O-CA 3.25Å; V339-V372 WeakPolarHBondContact O-CA 3.19Å; V339-S373 PolarHBondContact N-O 2.96Å; V339-S373 PolarHBondContact O-N 3.4Å |
| 340 | V | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 93.8 | 178.7 | -176 | 0 | 0 | 0 | 0 | 108.5 | V327 F351 T353 Y359 F370 V372 F400 | V327-V340 HydrophobicContact CG2-CG2 3.84Å; V340-F351 PolarHBondContact N-O 2.78Å; V340-T353 HydrophobicContact CG2-CG2 3.99Å; V340-Y359 HydrophobicContact CB-CD2 4.46Å; V340-Y359 HydrophobicContact CB-CG 4.35Å; V340-Y359 HydrophobicContact CG1-CD2 3.7Å; V340-Y359 HydrophobicContact CG1-CE2 4.06Å; V340-Y359 HydrophobicContact CG1-CG 3.98Å; V340-Y359 HydrophobicContact CG2-CD1 4.35Å; V340-Y359 HydrophobicContact CG2-CG 4.06Å; V340-F370 HydrophobicContact CG1-CD1 3.96Å; V340-F370 HydrophobicContact CG1-CE1 4.36Å; V340-V372 HydrophobicContact CG1-CG2 4.34Å; V340-V372 HydrophobicContact CG2-CG1 4.18Å; V340-F400 HydrophobicContact CG1-CE2 4.03Å |
| 341 | E | 95.2 | Very high | 94.8 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 153 | -176.8 | -75.3 | 179.1 | 130.5 | 0 | 0 | 112 | V339 P350 F370 K371 | V339-E341 HydrophobicContact CG1-CG 3.61Å; E341-P350 HydrophobicContact CG-CB 4.41Å; E341-F370 CarbonylContact O-C 3.38Å; E341-F370 VanDerWaalsContact O-CA 3.29Å; E341-F370 WeakPolarHBondContact O-CA 3.36Å; E341-K371 PolarHBondContact N-O 2.71Å; E341-K371 PolarHBondContact O-N 3.39Å |
| 342 | V | 97.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.2 | 172.3 | 178.2 | 0 | 0 | 0 | 0 | 107.8 | G344 R345 L363 Y368 F370 | V342-G344 PolarHBondContact O-N 2.86Å; V342-R345 HydrophobicContact CB-CB 4.23Å; V342-R345 HydrophobicContact CB-CG 4.18Å; V342-R345 HydrophobicContact CG1-CG 4.14Å; V342-R345 PolarHBondContact O-N 3.33Å; V342-L363 HydrophobicContact CG2-CD1 4.1Å; V342-L363 HydrophobicContact CG2-CD2 4.35Å; V342-Y368 HydrophobicContact CG1-CD1 3.65Å; V342-Y368 HydrophobicContact CG1-CG 4.25Å; V342-F370 HydrophobicContact CG2-CD1 3.97Å; V342-F370 HydrophobicContact CG2-CE1 3.63Å; V342-F370 HydrophobicContact CG2-CE2 4.47Å; V342-F370 HydrophobicContact CG2-CZ 3.91Å |
| 343 | E | 96.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 50.1 Ų | 50.1 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.2 | 178.3 | -175.2 | 156.5 | -130.4 | 0 | 0 | 111 | R345 T369 K371 | E343-R345 VanDerWaalsContact C-N 3.34Å; E343-T369 PolarHBondContact N-O 2.94Å; E343-K371 IonicContact OE1-NZ 3.2Å; E343-K371 PolarHBondContact OE1-NZ 3.34Å |
| 344 | G | 93.8 | Very high | 95.4 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 75% | 0.753 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -14.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V342 | V342-G344 PolarHBondContact O-N 2.86Š|
| 345 | R | 94.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | trans | -107.8 | 81.8 | 178.7 | -56.3 | -165.4 | -179.6 | -115 | -15.7 | 111.3 | P225 D226 D228 V342 E343 N347 L363 | P225-R345 HydrophobicContact CB-CB 4.36Å; D226-R345 WeakPolarHBondContact OD1-CD 3.33Å; D226-R345 IonicContact OD1-CZ 2.78Å; D226-R345 IonicContact OD1-NE 3.32Å; D226-R345 IonicContact OD1-NH1 2.78Å; D226-R345 PolarHBondContact OD1-NH1 2.87Å; D228-R345 IonicContact OD1-CZ 2.87Å; D228-R345 VanDerWaalsContact OD1-CZ 3.28Å; D228-R345 IonicContact OD1-NH1 3.21Å; D228-R345 PolarHBondContact OD1-NH1 3.4Å; D228-R345 IonicContact OD1-NH2 3.77Å; D228-R345 PolarHBondContact OD1-NH2 3.2Å; D228-R345 IonicContact OD2-CZ 2.79Å; D228-R345 IonicContact OD2-NH1 3.07Å; D228-R345 IonicContact OD2-NH2 3.58Å; D228-R345 PolarHBondContact OD2-NH2 2.86Å; V342-R345 HydrophobicContact CB-CB 4.23Å; V342-R345 HydrophobicContact CB-CG 4.18Å; V342-R345 HydrophobicContact CG1-CG 4.14Å; V342-R345 PolarHBondContact O-N 3.33Å; E343-R345 VanDerWaalsContact C-N 3.34Å; R345-N347 PolarHBondContact O-N 3.09Å; R345-N347 PolarHBondContact O-OD1 2.91Å; R345-L363 VanDerWaalsContact NE-CD2 3.33Å | ||
| 346 | R | 90.3 | Very high | 95.3 | Very high | 221 Ų | 221 | 51.8 Ų | 51.8 | 83% | 0.834 | 26% | 0.256 | S | S | * | . | trans | -85.6 | 85.2 | 179.7 | -65.3 | -175.9 | -175.2 | -179.2 | 1.5 | 110.9 | P225 | P225-R346 WeakPolarHBondContact CG-O 3.26Š| ||
| 347 | N | 91.2 | Very high | 95.4 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | trans | -64 | 142.2 | 172.8 | -59 | 95.5 | 0 | 0 | 0 | 110.6 | D226 Y278 R345 C349 F351 | D226-N347 PolarHBondContact OD2-ND2 2.86Å; D226-N347 VanDerWaalsContact OD2-ND2 3.09Å; Y278-N347 VanDerWaalsContact CZ-ND2 3.3Å; Y278-N347 PolarHBondContact OH-ND2 3.41Å; R345-N347 PolarHBondContact O-N 3.09Å; R345-N347 PolarHBondContact O-OD1 2.91Å; N347-C349 WeakPolarHBondContact CB-O 3.14Å; N347-C349 PolarHBondContact O-N 3.18Å; N347-C349 VanDerWaalsContact O-N 3.17Å; N347-F351 HydrophobicContact CB-CD2 4.43Å | ||
| 348 | M | 90.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 39% | 0.394 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -54.9 | -35 | 174.8 | -66.7 | -177.3 | 177.2 | 0 | 0 | 111.5 | A160 F161 Y208 V279 | A160-M348 HydrophobicContact CB-SD 3.7Å; F161-M348 HydrophobicContact CD1-CE 4.06Å; F161-M348 HydrophobicContact CE1-CE 3.3Å; F161-M348 HydrophobicContact CE2-CE 4.12Å; F161-M348 HydrophobicContact CZ-CE 3.35Å; Y208-M348 HydrophobicContact CE1-CE 4.49Å; Y208-M348 HydrophobicContact CE2-CE 4.3Å; V279-M348 HydrophobicContact CG1-CB 4.33Å; V279-M348 HydrophobicContact CG2-SD 4.05Å |
| 349 | C | 91 | Very high | 95.5 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 8% | 0.081 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -122.4 | 119 | 175.3 | -100.9 | 0 | 0 | 0 | 0 | 108.8 | V279 N347 C420 | V279-C349 HydrophobicContact CG1-CB 4.36Å; V279-C349 WeakPolarHBondContact O-CB 3.21Å; N347-C349 WeakPolarHBondContact CB-O 3.14Å; N347-C349 PolarHBondContact O-N 3.18Å; N347-C349 VanDerWaalsContact O-N 3.17Å; C349-C420 WeakPolarHBondContact CA-SG 3.33Å; C349-C420 HydrophobicContact CB-CB 4.27Å; C349-C420 WeakPolarHBondContact CB-SG 3.26Å; C349-C420 WeakPolarHBondContact SG-CB 3.48Å; C349-C420 CovalentContact SG-SG 2.02Å; C349-C420 PolarHBondContact SG-SG 3.46Å |
| 350 | P | 93.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | trans | -68.3 | 139.3 | -175.6 | 26.3 | -34.2 | 0 | 0 | 0 | 110.9 | V339 E341 | V339-P350 HydrophobicContact CG1-CB 3.88Å; E341-P350 HydrophobicContact CG-CB 4.41Å | ||
| 351 | F | 95.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | trans | -69 | 134 | 176.7 | -84.9 | -129 | 0 | 0 | 0 | 110.4 | Y278 Q282 L284 V339 V340 N347 R361 | Y278-F351 HydrophobicContact CE2-CE2 4.48Å; Y278-F351 HydrophobicContact CE2-CZ 4.45Å; Q282-F351 HydrophobicContact CB-CD1 3.88Å; Q282-F351 HydrophobicContact CB-CD2 4.41Å; Q282-F351 HydrophobicContact CB-CE1 3.74Å; Q282-F351 HydrophobicContact CB-CE2 4.26Å; Q282-F351 HydrophobicContact CB-CG 4.23Å; Q282-F351 HydrophobicContact CB-CZ 3.93Å; Q282-F351 HydrophobicContact CG-CD1 4.5Å; Q282-F351 HydrophobicContact CG-CD2 4.45Å; Q282-F351 HydrophobicContact CG-CG 4.38Å; Q282-F351 WeakPolarHBondContact O-CE1 3.33Å; L284-F351 HydrophobicContact CD1-CZ 4.18Å; V339-F351 WeakPolarHBondContact CA-O 3.43Å; V340-F351 PolarHBondContact N-O 2.78Å; N347-F351 HydrophobicContact CB-CD2 4.43Å; F351-R361 VanDerWaalsContact CE1-NH1 3.26Å | ||
| 352 | R | 97.1 | Very high | 95.7 | Very high | 62 Ų | 62 | 41.6 Ų | 41.6 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -127.5 | 152.8 | -175 | -68.8 | 174.1 | -175 | -82.2 | -2.4 | 111.9 | Q282 N337 A338 V339 | Q282-R352 PolarHBondContact NE2-O 3.09Å; N337-R352 PolarHBondContact O-NH1 2.74Å; A338-R352 CarbonylContact O-C 3.58Å; A338-R352 WeakPolarHBondContact O-CA 3.23Å; V339-R352 HydrophobicContact CG2-CG 4.15Å |
| 353 | T | 98.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | trans | -69.2 | 144.3 | 172.8 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | V327 V335 N337 A338 V340 G357 E358 | V327-T353 HydrophobicContact CB-CG2 3.94Å; V327-T353 HydrophobicContact CG2-CG2 3.45Å; V327-T353 VanDerWaalsContact CG2-CG2 3.45Å; V335-T353 WeakPolarHBondContact O-CB 3.45Å; V335-T353 PolarHBondContact O-OG1 2.89Å; N337-T353 PolarHBondContact N-O 2.68Å; N337-T353 PolarHBondContact N-OG1 3.33Å; A338-T353 HydrophobicContact CB-CG2 4.13Å; A338-T353 PolarHBondContact N-OG1 3.05Å; A338-T353 PolarHBondContact O-N 3.17Å; V340-T353 HydrophobicContact CG2-CG2 3.99Å; T353-G357 VanDerWaalsContact CG2-O 3.26Å; T353-G357 WeakPolarHBondContact CG2-O 3.42Å; T353-E358 CarbonylContact C-O 3.43Å; T353-E358 WeakPolarHBondContact CA-O 3.19Å; T353-E358 WeakPolarHBondContact CB-O 3.23Å | ||
| 354 | N | 96.8 | Very high | 95.9 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | trans | -75.7 | -174.6 | 175.8 | 75.8 | 6.2 | 0 | 0 | 0 | 112.3 | T190 Q336 H356 G357 E358 | T190-N354 HydrophobicContact CG2-CB 4.27Å; T190-N354 WeakPolarHBondContact OG1-CB 3.18Å; T190-N354 PolarHBondContact OG1-ND2 2.94Å; T190-N354 VanDerWaalsContact OG1-ND2 3.11Å; Q336-N354 WeakPolarHBondContact CA-O 2.97Å; Q336-N354 WeakPolarHBondContact CG-O 2.92Å; N354-H356 PolarHBondContact O-N 3.16Å; N354-H356 VanDerWaalsContact O-N 3.15Å; N354-H356 WeakPolarHBondContact OD1-CA 3.27Å; N354-H356 WeakPolarHBondContact OD1-CB 3.32Å; N354-H356 PolarHBondContact OD1-N 2.94Å; N354-G357 WeakPolarHBondContact O-CA 3.4Å; N354-G357 PolarHBondContact O-N 2.91Å; N354-G357 PolarHBondContact OD1-N 2.79Å; N354-E358 PolarHBondContact N-O 3.32Å; N354-E358 PolarHBondContact ND2-OE2 2.96Å; N354-E358 WeakPolarHBondContact OD1-CB 3.47Å; N354-E358 PolarHBondContact OD1-N 3.07Å | ||
| 355 | Q | 95.8 | Very high | 96.1 | Very high | 135 Ų | 135 | 37.8 Ų | 37.8 | 63% | 0.631 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.2 | 179.1 | 69.6 | -176.6 | 1.9 | 0 | 0 | 115 | G357 | Q355-G357 VanDerWaalsContact C-N 3.34Š|
| 356 | H | 97.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 38.1 Ų | 38.1 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 8.3 | 175.2 | -58.3 | -60.1 | 0 | 0 | 0 | 112.3 | H70 V72 Q326 P334 N354 E358 | H70-H356 AromaticContact CD2-CD2 3.72Å; V72-H356 HydrophobicContact CG2-CB 3.97Å; Q326-H356 PolarHBondContact NE2-O 2.81Å; P334-H356 VanDerWaalsContact CB-O 3.26Å; P334-H356 WeakPolarHBondContact CB-O 3.1Å; N354-H356 PolarHBondContact O-N 3.16Å; N354-H356 VanDerWaalsContact O-N 3.15Å; N354-H356 WeakPolarHBondContact OD1-CA 3.27Å; N354-H356 WeakPolarHBondContact OD1-CB 3.32Å; N354-H356 PolarHBondContact OD1-N 2.94Å; H356-E358 HydrophobicContact CB-CG 4.14Å; H356-E358 WeakPolarHBondContact CB-OE2 3.33Å; H356-E358 IonicContact CD2-OE2 2.73Å; H356-E358 PolarHBondContact O-N 2.72Å |
| 357 | G | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 71.1 | 12 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q326 V327 V335 T353 N354 Q355 | Q326-G357 CarbonylContact C-O 3.47Å; Q326-G357 VanDerWaalsContact CA-O 3.22Å; Q326-G357 WeakPolarHBondContact CA-O 3.41Å; V327-G357 PolarHBondContact N-O 3.35Å; V335-G357 VanDerWaalsContact O-CA 3.31Å; V335-G357 WeakPolarHBondContact O-CA 3.38Å; T353-G357 VanDerWaalsContact CG2-O 3.26Å; T353-G357 WeakPolarHBondContact CG2-O 3.42Å; N354-G357 WeakPolarHBondContact O-CA 3.4Å; N354-G357 PolarHBondContact O-N 2.91Å; N354-G357 PolarHBondContact OD1-N 2.79Å; Q355-G357 VanDerWaalsContact C-N 3.34Å |
| 358 | E | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 145.9 | -176.9 | -63.8 | 169.9 | 93.2 | 0 | 0 | 112.6 | H70 V72 G73 G325 Q326 T353 N354 H356 Y360 | H70-E358 IonicContact CD2-OE2 3.42Å; H70-E358 IonicContact CE1-OE1 3.68Å; H70-E358 IonicContact CE1-OE2 2.71Å; H70-E358 IonicContact NE2-OE1 2.94Å; H70-E358 IonicContact NE2-OE2 3.74Å; H70-E358 PolarHBondContact NE2-OE2 3.17Å; V72-E358 VanDerWaalsContact CA-OE1 3.25Å; V72-E358 WeakPolarHBondContact CA-OE1 3.33Å; V72-E358 HydrophobicContact CG1-CG 3.95Å; G73-E358 PolarHBondContact N-OE1 3.06Å; G325-E358 CarbonylContact O-C 3.51Å; G325-E358 WeakPolarHBondContact O-CA 3.17Å; Q326-E358 HydrophobicContact CG-CB 4.47Å; Q326-E358 HydrophobicContact CG-CG 3.69Å; T353-E358 CarbonylContact C-O 3.43Å; T353-E358 WeakPolarHBondContact CA-O 3.19Å; T353-E358 WeakPolarHBondContact CB-O 3.23Å; N354-E358 PolarHBondContact N-O 3.32Å; N354-E358 PolarHBondContact ND2-OE2 2.96Å; N354-E358 WeakPolarHBondContact OD1-CB 3.47Å; N354-E358 PolarHBondContact OD1-N 3.07Å; H356-E358 HydrophobicContact CB-CG 4.14Å; H356-E358 WeakPolarHBondContact CB-OE2 3.33Å; H356-E358 IonicContact CD2-OE2 2.73Å; H356-E358 PolarHBondContact O-N 2.72Å; E358-Y360 HydrophobicContact CB-CE2 4.01Å; E358-Y360 PolarHBondContact OE1-OH 3.29Å |
| 359 | Y | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 152 | 167.6 | 72.9 | -82.4 | 0 | 0 | 0 | 110.4 | V323 K324 G325 V327 V340 R361 F370 H398 F400 | V323-Y359 HydrophobicContact CB-CE2 4.43Å; V323-Y359 HydrophobicContact CG1-CE2 4.02Å; V323-Y359 WeakPolarHBondContact CG1-OH 3.44Å; K324-Y359 VanDerWaalsContact CA-O 3.31Å; K324-Y359 WeakPolarHBondContact CA-O 3.33Å; G325-Y359 PolarHBondContact N-O 2.81Å; G325-Y359 VanDerWaalsContact N-O 3.11Å; G325-Y359 VanDerWaalsContact O-CD1 3.27Å; G325-Y359 WeakPolarHBondContact O-CD1 3.31Å; G325-Y359 PolarHBondContact O-N 3.39Å; V327-Y359 HydrophobicContact CG2-CD1 4.17Å; V340-Y359 HydrophobicContact CB-CD2 4.46Å; V340-Y359 HydrophobicContact CB-CG 4.35Å; V340-Y359 HydrophobicContact CG1-CD2 3.7Å; V340-Y359 HydrophobicContact CG1-CE2 4.06Å; V340-Y359 HydrophobicContact CG1-CG 3.98Å; V340-Y359 HydrophobicContact CG2-CD1 4.35Å; V340-Y359 HydrophobicContact CG2-CG 4.06Å; Y359-R361 HydrophobicContact CD2-CG 4.3Å; Y359-F370 HydrophobicContact CE2-CE1 4.45Å; Y359-H398 WeakPolarHBondContact CE1-O 3.22Å; Y359-H398 PolarHBondContact OH-O 2.86Å; Y359-F400 HydrophobicContact CD1-CD2 4.35Å; Y359-F400 AromaticContact CE1-CD2 3.56Å; Y359-F400 HydrophobicContact CE1-CD2 3.56Å; Y359-F400 AromaticContact CE1-CE2 3.71Å; Y359-F400 HydrophobicContact CE1-CE2 3.71Å; Y359-F400 AromaticContact CE2-CE2 3.91Å; Y359-F400 HydrophobicContact CE2-CE2 3.91Å; Y359-F400 AromaticContact CZ-CD2 3.69Å; Y359-F400 AromaticContact CZ-CE2 3.3Å; Y359-F400 WeakPolarHBondContact OH-CE2 3.08Å |
| 360 | Y | 98.6 | Very high | 97.8 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 127.1 | 172.5 | -62.9 | -95.6 | 0 | 0 | 0 | 107.7 | G73 P75 T190 V192 K324 E358 | G73-Y360 WeakPolarHBondContact CA-OH 3.39Å; G73-Y360 PolarHBondContact N-OH 3.08Å; P75-Y360 HydrophobicContact CB-CD1 4.07Å; P75-Y360 HydrophobicContact CB-CE1 3.8Å; T190-Y360 HydrophobicContact CG2-CD2 4.28Å; V192-Y360 HydrophobicContact CG1-CG 4.43Å; V192-Y360 HydrophobicContact CG2-CD1 3.83Å; V192-Y360 HydrophobicContact CG2-CD2 3.84Å; V192-Y360 HydrophobicContact CG2-CE1 4.47Å; V192-Y360 HydrophobicContact CG2-CG 3.49Å; V192-Y360 VanDerWaalsContact CG2-CG 3.49Å; K324-Y360 HydrophobicContact CB-CD1 3.52Å; K324-Y360 HydrophobicContact CB-CE1 3.75Å; K324-Y360 HydrophobicContact CB-CG 4.29Å; K324-Y360 HydrophobicContact CD-CD1 4.17Å; K324-Y360 HydrophobicContact CD-CE1 3.75Å; K324-Y360 HydrophobicContact CG-CD1 4.49Å; K324-Y360 HydrophobicContact CG-CE1 4.37Å; E358-Y360 HydrophobicContact CB-CE2 4.01Å; E358-Y360 PolarHBondContact OE1-OH 3.29Å |
| 361 | R | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 103.3 | 176.7 | -76.1 | -60.3 | -54.6 | 173.2 | 2.2 | 108.7 | D226 G322 V323 F351 Y359 L363 F370 | D226-R361 VanDerWaalsContact CG-NH2 3.3Å; D226-R361 IonicContact OD1-CZ 3.52Å; D226-R361 IonicContact OD1-NH2 3.78Å; D226-R361 PolarHBondContact OD1-NH2 2.84Å; D226-R361 IonicContact OD2-CZ 4Å; D226-R361 IonicContact OD2-NH1 3.51Å; D226-R361 IonicContact OD2-NH2 2.7Å; D226-R361 PolarHBondContact OD2-NH2 2.93Å; G322-R361 VanDerWaalsContact CA-O 3.31Å; G322-R361 WeakPolarHBondContact CA-O 3.35Å; V323-R361 PolarHBondContact N-O 2.85Å; V323-R361 PolarHBondContact O-N 3.22Å; F351-R361 VanDerWaalsContact CE1-NH1 3.26Å; Y359-R361 HydrophobicContact CD2-CG 4.3Å; R361-L363 HydrophobicContact CB-CD1 4.49Å; R361-L363 PolarHBondContact O-N 3.11Å; R361-F370 HydrophobicContact CB-CE1 4.27Å; R361-F370 HydrophobicContact CG-CE1 4.18Å |
| 362 | L | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | trans | -68.1 | 123.1 | 172.3 | -59.3 | -179.8 | 0 | 0 | 0 | 108.6 | V192 L193 V229 L284 L321 | V192-L362 HydrophobicContact CG1-CD1 4.16Å; V192-L362 HydrophobicContact CG1-CD2 3.78Å; V192-L362 HydrophobicContact CG1-CG 3.9Å; L193-L362 HydrophobicContact CB-CD1 4.15Å; L193-L362 HydrophobicContact CD1-CD1 4Å; V229-L362 HydrophobicContact CG1-CB 4.09Å; L284-L362 HydrophobicContact CB-CD1 4.18Å; L284-L362 HydrophobicContact CD1-CD1 4.3Å; L284-L362 HydrophobicContact CD2-CB 4.32Å; L284-L362 HydrophobicContact CD2-CD1 4.11Å; L284-L362 HydrophobicContact CG-CD1 4.42Å; L321-L362 HydrophobicContact CB-CD2 4.05Å | ||
| 363 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -145.7 | 147.8 | -178.5 | -63.6 | 170.7 | 0 | 0 | 0 | 108 | G322 V342 R345 R361 Y368 F370 V386 | G322-L363 WeakPolarHBondContact CA-O 3.3Å; G322-L363 PolarHBondContact N-O 2.97Å; G322-L363 VanDerWaalsContact N-O 3.11Å; V342-L363 HydrophobicContact CG2-CD1 4.1Å; V342-L363 HydrophobicContact CG2-CD2 4.35Å; R345-L363 VanDerWaalsContact NE-CD2 3.33Å; R361-L363 HydrophobicContact CB-CD1 4.49Å; R361-L363 PolarHBondContact O-N 3.11Å; L363-Y368 HydrophobicContact CB-CD2 4.5Å; L363-Y368 HydrophobicContact CB-CE2 3.98Å; L363-Y368 HydrophobicContact CD1-CD1 4.17Å; L363-Y368 HydrophobicContact CD1-CD2 3.94Å; L363-Y368 HydrophobicContact CD1-CE1 4.46Å; L363-Y368 HydrophobicContact CD1-CE2 4.24Å; L363-Y368 HydrophobicContact CD1-CG 3.88Å; L363-Y368 HydrophobicContact CD2-CD1 4.19Å; L363-Y368 HydrophobicContact CD2-CE1 3.92Å; L363-F370 HydrophobicContact CD1-CE2 4.24Å; L363-F370 HydrophobicContact CD1-CZ 3.65Å; L363-V386 HydrophobicContact CB-CG1 4.44Å; L363-V386 HydrophobicContact CD1-CG2 4.41Å | ||
| 364 | L | 98.8 | Very high | 98 | Very high | 34 Ų | 34 | 36.5 Ų | 36.5 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | trans | -72.6 | 167.2 | 170 | -61.1 | -174.9 | 0 | 0 | 0 | 110.7 | D228 V229 H232 G366 Y368 | D228-L364 HydrophobicContact CB-CD1 4.2Å; V229-L364 HydrophobicContact CG2-CG 4.15Å; H232-L364 HydrophobicContact CB-CD1 4.18Å; H232-L364 HydrophobicContact CB-CD2 3.64Å; H232-L364 HydrophobicContact CB-CG 4.49Å; H232-L364 VanDerWaalsContact CG-CD2 3.45Å; L364-G366 PolarHBondContact O-N 3.05Å; L364-Y368 VanDerWaalsContact O-CE2 3.23Å; L364-Y368 WeakPolarHBondContact O-CE2 3.47Å; L364-Y368 PolarHBondContact O-OH 2.94Å; L364-Y368 VanDerWaalsContact O-OH 3.09Å | ||
| 365 | P | 98.8 | Very high | 97.8 | Very high | 73 Ų | 73 | 40.5 Ų | 40.5 | 47% | 0.474 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -59.8 | 128.6 | 174.2 | -24.7 | 35.7 | 0 | 0 | 0 | 111.6 | V386 Y388 | P365-V386 CarbonylContact C-O 3.49Å; P365-V386 WeakPolarHBondContact CA-O 3.4Å; P365-Y388 HydrophobicContact CG-CD2 3.96Å; P365-Y388 HydrophobicContact CG-CG 4.35Å |
| 366 | G | 98.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 178 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L364 Y368 V386 | L364-G366 PolarHBondContact O-N 3.05Å; G366-Y368 WeakPolarHBondContact O-CD2 3.33Å; G366-V386 PolarHBondContact N-O 2.86Å; G366-V386 WeakPolarHBondContact O-CB 3Å; G366-V386 PolarHBondContact O-N 3.37Å |
| 367 | N | 98.5 | Very high | 97.4 | Very high | 120 Ų | 120 | 35 Ų | 35 | 64% | 0.642 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.6 | 176.4 | -66.6 | -28.3 | 0 | 0 | 0 | 110.1 | L384 S385 | N367-L384 WeakPolarHBondContact CA-O 2.94Å; N367-S385 WeakPolarHBondContact OD1-CA 3.02Å; N367-S385 WeakPolarHBondContact OD1-CB 3.43Å; N367-S385 PolarHBondContact OD1-OG 3.47Å |
| 368 | Y | 98.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 13% | 0.129 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.7 | -174.9 | -62.9 | -87.4 | 0 | 0 | 0 | 111 | V342 L363 L364 G366 T383 L384 V386 | V342-Y368 HydrophobicContact CG1-CD1 3.65Å; V342-Y368 HydrophobicContact CG1-CG 4.25Å; L363-Y368 HydrophobicContact CB-CD2 4.5Å; L363-Y368 HydrophobicContact CB-CE2 3.98Å; L363-Y368 HydrophobicContact CD1-CD1 4.17Å; L363-Y368 HydrophobicContact CD1-CD2 3.94Å; L363-Y368 HydrophobicContact CD1-CE1 4.46Å; L363-Y368 HydrophobicContact CD1-CE2 4.24Å; L363-Y368 HydrophobicContact CD1-CG 3.88Å; L363-Y368 HydrophobicContact CD2-CD1 4.19Å; L363-Y368 HydrophobicContact CD2-CE1 3.92Å; L364-Y368 VanDerWaalsContact O-CE2 3.23Å; L364-Y368 WeakPolarHBondContact O-CE2 3.47Å; L364-Y368 PolarHBondContact O-OH 2.94Å; L364-Y368 VanDerWaalsContact O-OH 3.09Å; G366-Y368 WeakPolarHBondContact O-CD2 3.33Å; Y368-T383 CarbonylContact O-C 3.55Å; Y368-T383 VanDerWaalsContact O-CA 3.3Å; Y368-T383 WeakPolarHBondContact O-CA 3.44Å; Y368-L384 PolarHBondContact N-O 2.72Å; Y368-L384 PolarHBondContact O-N 3.4Å; Y368-V386 HydrophobicContact CD2-CB 4.06Å; Y368-V386 HydrophobicContact CD2-CG2 3.58Å; Y368-V386 HydrophobicContact CE2-CB 4.12Å; Y368-V386 HydrophobicContact CE2-CG2 4.11Å |
| 369 | T | 98.6 | Very high | 97 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 20% | 0.202 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116.2 | 171.7 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | E343 T381 T383 | E343-T369 PolarHBondContact N-O 2.94Å; T369-T381 HydrophobicContact CG2-CG2 3.43Å; T369-T381 VanDerWaalsContact CG2-CG2 3.43Å; T369-T383 PolarHBondContact OG1-OG1 3.2Å |
| 370 | F | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.4 | 175 | -74.8 | -101.5 | 0 | 0 | 0 | 110.3 | V323 V340 E341 V342 Y359 R361 L363 T381 E382 L384 F400 | V323-F370 HydrophobicContact CB-CZ 4.03Å; V323-F370 HydrophobicContact CG2-CE2 4.17Å; V323-F370 HydrophobicContact CG2-CZ 3.8Å; V340-F370 HydrophobicContact CG1-CD1 3.96Å; V340-F370 HydrophobicContact CG1-CE1 4.36Å; E341-F370 CarbonylContact O-C 3.38Å; E341-F370 VanDerWaalsContact O-CA 3.29Å; E341-F370 WeakPolarHBondContact O-CA 3.36Å; V342-F370 HydrophobicContact CG2-CD1 3.97Å; V342-F370 HydrophobicContact CG2-CE1 3.63Å; V342-F370 HydrophobicContact CG2-CE2 4.47Å; V342-F370 HydrophobicContact CG2-CZ 3.91Å; Y359-F370 HydrophobicContact CE2-CE1 4.45Å; R361-F370 HydrophobicContact CB-CE1 4.27Å; R361-F370 HydrophobicContact CG-CE1 4.18Å; L363-F370 HydrophobicContact CD1-CE2 4.24Å; L363-F370 HydrophobicContact CD1-CZ 3.65Å; F370-T381 VanDerWaalsContact O-CA 3.27Å; F370-T381 WeakPolarHBondContact O-CA 3.45Å; F370-E382 PolarHBondContact N-O 3.05Å; F370-E382 PolarHBondContact O-N 2.69Å; F370-L384 HydrophobicContact CD2-CB 4.34Å; F370-L384 HydrophobicContact CD2-CD1 3.77Å; F370-L384 HydrophobicContact CD2-CG 3.98Å; F370-L384 HydrophobicContact CE2-CB 4.19Å; F370-L384 HydrophobicContact CE2-CD1 3.73Å; F370-L384 HydrophobicContact CE2-CG 4.17Å; F370-L384 HydrophobicContact CZ-CD1 4.42Å; F370-F400 HydrophobicContact CB-CE1 4.2Å; F370-F400 HydrophobicContact CB-CZ 3.66Å; F370-F400 HydrophobicContact CD1-CE2 4.19Å; F370-F400 AromaticContact CD1-CZ 3.9Å; F370-F400 HydrophobicContact CD1-CZ 3.9Å; F370-F400 HydrophobicContact CD2-CZ 4.43Å; F370-F400 HydrophobicContact CG-CE2 4.48Å; F370-F400 AromaticContact CG-CZ 3.74Å; F370-F400 HydrophobicContact CG-CZ 3.74Å |
| 371 | K | 97.9 | Very high | 96.9 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.6 | 168.5 | -68.4 | -178 | -174.9 | 170.1 | 0 | 108.4 | E341 E343 L380 T381 | E341-K371 PolarHBondContact N-O 2.71Å; E341-K371 PolarHBondContact O-N 3.39Å; E343-K371 IonicContact OE1-NZ 3.2Å; E343-K371 PolarHBondContact OE1-NZ 3.34Å; K371-L380 CarbonylContact C-O 3.56Å; K371-L380 WeakPolarHBondContact CA-O 3.45Å; K371-T381 HydrophobicContact CG-CG2 4.28Å |
| 372 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.9 | -179.8 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | V327 V339 V340 V379 L380 F400 L402 | V327-V372 HydrophobicContact CG1-CG1 4.08Å; V327-V372 HydrophobicContact CG2-CG1 4.05Å; V339-V372 CarbonylContact O-C 3.54Å; V339-V372 VanDerWaalsContact O-CA 3.25Å; V339-V372 WeakPolarHBondContact O-CA 3.19Å; V340-V372 HydrophobicContact CG1-CG2 4.34Å; V340-V372 HydrophobicContact CG2-CG1 4.18Å; V372-V379 WeakPolarHBondContact O-CA 3.42Å; V372-L380 HydrophobicContact CB-CB 4.23Å; V372-L380 HydrophobicContact CG2-CD2 4.43Å; V372-L380 PolarHBondContact N-O 3.02Å; V372-L380 PolarHBondContact O-N 2.03Å; V372-F400 HydrophobicContact CG2-CB 4.29Å; V372-F400 HydrophobicContact CG2-CD1 4.05Å; V372-F400 HydrophobicContact CG2-CD2 3.58Å; V372-F400 HydrophobicContact CG2-CE1 4.2Å; V372-F400 HydrophobicContact CG2-CE2 3.73Å; V372-F400 HydrophobicContact CG2-CG 3.72Å; V372-F400 HydrophobicContact CG2-CZ 4.05Å; V372-L402 HydrophobicContact CB-CD2 4.34Å; V372-L402 HydrophobicContact CG1-CD2 3.99Å |
| 373 | S | 96.5 | Very high | 96.9 | Very high | 31 Ų | 31 | 55.5 Ų | 55.5 | 22% | 0.217 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.1 | -178.1 | 69 | 0 | 0 | 0 | 0 | 112.3 | V339 | V339-S373 PolarHBondContact N-O 2.96Å; V339-S373 PolarHBondContact O-N 3.4Å |
| 374 | Y | 95.7 | Very high | 96.9 | Very high | 82 Ų | 82 | 56 Ų | 56 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | trans | -153.5 | 141.2 | 175.5 | -175.6 | -111.8 | 0 | 0 | 0 | 109 | V335 Q336 A338 G376 H377 L402 | V335-Y374 HydrophobicContact CG1-CD1 3.61Å; V335-Y374 HydrophobicContact CG1-CD2 3.57Å; V335-Y374 HydrophobicContact CG1-CE1 3.69Å; V335-Y374 HydrophobicContact CG1-CE2 3.62Å; V335-Y374 HydrophobicContact CG1-CG 3.58Å; Q336-Y374 WeakPolarHBondContact O-CE2 3.33Å; A338-Y374 HydrophobicContact CB-CD2 4.21Å; A338-Y374 HydrophobicContact CB-CG 4.47Å; Y374-G376 PolarHBondContact O-N 3.02Å; Y374-H377 AromaticContact CD1-CE1 3.64Å; Y374-H377 AromaticContact CD1-ND1 3.41Å; Y374-H377 WeakPolarHBondContact CD1-ND1 3.29Å; Y374-H377 AromaticContact CE1-CE1 3.97Å; Y374-H377 WeakPolarHBondContact O-CB 2.98Å; Y374-H377 PolarHBondContact O-N 2.86Å; Y374-H377 VanDerWaalsContact O-N 3.1Å; Y374-L402 HydrophobicContact CG-CD1 4.36Å | ||
| 375 | P | 93.1 | Very high | 96.9 | Very high | 105 Ų | 105 | 58.3 Ų | 58.3 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 136.5 | -177.7 | -29.8 | 37 | 0 | 0 | 0 | 113.6 | H377 | P375-H377 VanDerWaalsContact C-N 3.25Å; P375-H377 PolarHBondContact O-N 3.5Å; P375-H377 PolarHBondContact O-ND1 3Å |
| 376 | G | 90.3 | Very high | 96.9 | Very high | 59 Ų | 59 | 55 Ų | 55 | 61% | 0.608 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 7.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y374 V405 | Y374-G376 PolarHBondContact O-N 3.02Å; G376-V405 PolarHBondContact O-N 3.45Å |
| 377 | H | 93.3 | Very high | 96.9 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 154.3 | 178.1 | -62.5 | 69.1 | 0 | 0 | 0 | 111.4 | Y374 P375 L402 R403 | Y374-H377 AromaticContact CD1-CE1 3.64Å; Y374-H377 AromaticContact CD1-ND1 3.41Å; Y374-H377 WeakPolarHBondContact CD1-ND1 3.29Å; Y374-H377 AromaticContact CE1-CE1 3.97Å; Y374-H377 WeakPolarHBondContact O-CB 2.98Å; Y374-H377 PolarHBondContact O-N 2.86Å; Y374-H377 VanDerWaalsContact O-N 3.1Å; P375-H377 VanDerWaalsContact C-N 3.25Å; P375-H377 PolarHBondContact O-N 3.5Å; P375-H377 PolarHBondContact O-ND1 3Å; H377-L402 HydrophobicContact CB-CB 4.16Å; H377-L402 HydrophobicContact CB-CD1 4.34Å; H377-R403 CarbonylContact C-O 3.58Å; H377-R403 VanDerWaalsContact CA-O 3.28Å; H377-R403 WeakPolarHBondContact CA-O 3.28Å; H377-R403 WeakPolarHBondContact CB-O 3.46Å |
| 378 | E | 93.9 | Very high | 96.8 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 142.7 | 170.1 | -64.3 | 176.5 | 174.9 | 0 | 0 | 109.5 | L380 R403 V405 | E378-L380 PolarHBondContact O-N 2.95Å; E378-R403 PolarHBondContact N-O 3.07Å; E378-V405 HydrophobicContact CG-CG2 4.16Å |
| 379 | V | 95.9 | Very high | 96.8 | Very high | 92 Ų | 92 | 53.1 Ų | 53.1 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 117.7 | 173.3 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | V372 | V372-V379 WeakPolarHBondContact O-CA 3.42Š|
| 380 | L | 96.8 | Very high | 96.8 | Very high | 46 Ų | 46 | 51.7 Ų | 51.7 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.7 | 174.8 | -174.4 | 87.9 | 0 | 0 | 0 | 108.7 | K371 V372 E378 F400 L402 | K371-L380 CarbonylContact C-O 3.56Å; K371-L380 WeakPolarHBondContact CA-O 3.45Å; V372-L380 HydrophobicContact CB-CB 4.23Å; V372-L380 HydrophobicContact CG2-CD2 4.43Å; V372-L380 PolarHBondContact N-O 3.02Å; V372-L380 PolarHBondContact O-N 2.03Å; E378-L380 PolarHBondContact O-N 2.95Å; L380-F400 HydrophobicContact CD2-CB 3.84Å; L380-F400 HydrophobicContact CD2-CD1 3.35Å; L380-F400 HydrophobicContact CD2-CE1 4.19Å; L380-F400 HydrophobicContact CD2-CG 3.93Å; L380-L402 HydrophobicContact CB-CD2 4.11Å |
| 381 | T | 97.8 | Very high | 96.6 | Very high | 81 Ų | 81 | 59.1 Ų | 59.1 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.2 | 170.6 | -57.3 | 0 | 0 | 0 | 0 | 109.2 | T369 F370 K371 | T369-T381 HydrophobicContact CG2-CG2 3.43Å; T369-T381 VanDerWaalsContact CG2-CG2 3.43Å; F370-T381 VanDerWaalsContact O-CA 3.27Å; F370-T381 WeakPolarHBondContact O-CA 3.45Å; K371-T381 HydrophobicContact CG-CG2 4.28Å |
| 382 | E | 98.3 | Very high | 96.6 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 137.6 | -177.1 | -172.7 | 175.5 | 179.3 | 0 | 0 | 110.6 | F370 L384 H398 F400 | F370-E382 PolarHBondContact N-O 3.05Å; F370-E382 PolarHBondContact O-N 2.69Å; E382-L384 HydrophobicContact CG-CD2 4.04Å; E382-H398 IonicContact OE1-CE1 2.74Å; E382-H398 PolarHBondContact OE1-CE1 3.46Å; E382-H398 IonicContact OE1-NE2 3.66Å; E382-H398 PolarHBondContact OE1-NE2 3.37Å; E382-H398 IonicContact OE2-CE1 3.42Å; E382-H398 IonicContact OE2-NE2 2.85Å; E382-H398 PolarHBondContact OE2-NE2 3.39Å; E382-F400 HydrophobicContact CB-CE1 4.24Å; E382-F400 WeakPolarHBondContact OE2-CE1 3.18Å |
| 383 | T | 98.5 | Very high | 96.5 | Very high | 90 Ų | 90 | 63.9 Ų | 63.9 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.9 | 177.1 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | Y368 T369 | Y368-T383 CarbonylContact O-C 3.55Å; Y368-T383 VanDerWaalsContact O-CA 3.3Å; Y368-T383 WeakPolarHBondContact O-CA 3.44Å; T369-T383 PolarHBondContact OG1-OG1 3.2Å |
| 384 | L | 98.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.7 | 179.7 | -55.2 | -178.8 | 0 | 0 | 0 | 110.6 | V323 N367 Y368 F370 E382 M396 H398 F400 | V323-L384 HydrophobicContact CG1-CD1 4.06Å; V323-L384 HydrophobicContact CG2-CD1 4.4Å; N367-L384 WeakPolarHBondContact CA-O 2.94Å; Y368-L384 PolarHBondContact N-O 2.72Å; Y368-L384 PolarHBondContact O-N 3.4Å; F370-L384 HydrophobicContact CD2-CB 4.34Å; F370-L384 HydrophobicContact CD2-CD1 3.77Å; F370-L384 HydrophobicContact CD2-CG 3.98Å; F370-L384 HydrophobicContact CE2-CB 4.19Å; F370-L384 HydrophobicContact CE2-CD1 3.73Å; F370-L384 HydrophobicContact CE2-CG 4.17Å; F370-L384 HydrophobicContact CZ-CD1 4.42Å; E382-L384 HydrophobicContact CG-CD2 4.04Å; L384-M396 HydrophobicContact CB-CE 4.4Å; L384-M396 HydrophobicContact CD2-CE 4.41Å; L384-H398 HydrophobicContact CD1-CB 4Å; L384-F400 HydrophobicContact CD1-CZ 4.16Å |
| 385 | S | 98.5 | Very high | 96.8 | Very high | 84 Ų | 84 | 60.1 Ų | 60.1 | 59% | 0.587 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 107.8 | 170.1 | -162.8 | 0 | 0 | 0 | 0 | 109.1 | N367 M396 | N367-S385 WeakPolarHBondContact OD1-CA 3.02Å; N367-S385 WeakPolarHBondContact OD1-CB 3.43Å; N367-S385 PolarHBondContact OD1-OG 3.47Å; S385-M396 VanDerWaalsContact O-SD 3.39Å |
| 386 | V | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 120.8 | -171.5 | 179 | 0 | 0 | 0 | 0 | 109.6 | V323 L363 P365 G366 Y368 | V323-V386 HydrophobicContact CG2-CB 4.48Å; V323-V386 HydrophobicContact CG2-CG1 4.28Å; V323-V386 HydrophobicContact CG2-CG2 3.43Å; V323-V386 VanDerWaalsContact CG2-CG2 3.43Å; L363-V386 HydrophobicContact CB-CG1 4.44Å; L363-V386 HydrophobicContact CD1-CG2 4.41Å; P365-V386 CarbonylContact C-O 3.49Å; P365-V386 WeakPolarHBondContact CA-O 3.4Å; G366-V386 PolarHBondContact N-O 2.86Å; G366-V386 WeakPolarHBondContact O-CB 3Å; G366-V386 PolarHBondContact O-N 3.37Å; Y368-V386 HydrophobicContact CD2-CB 4.06Å; Y368-V386 HydrophobicContact CD2-CG2 3.58Å; Y368-V386 HydrophobicContact CE2-CB 4.12Å; Y368-V386 HydrophobicContact CE2-CG2 4.11Å |
| 387 | P | 98.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 62 Ų | 62 | 40% | 0.403 | 32% | 0.323 | S | S | . | . | trans | -85.3 | 173.6 | 174.8 | 36.3 | -35.3 | 0 | 0 | 0 | 112.2 | G389 M396 | P387-G389 PolarHBondContact O-N 2.94Å; P387-M396 HydrophobicContact CG-CB 4.3Å | ||
| 388 | Y | 98.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | trans | -77.7 | 108.2 | 168.8 | -169 | -113.1 | 0 | 0 | 0 | 110.6 | Q318 L321 P365 P390 E391 | Q318-Y388 PolarHBondContact NE2-OH 3.01Å; L321-Y388 HydrophobicContact CD2-CD2 3.89Å; L321-Y388 HydrophobicContact CD2-CE2 3.75Å; P365-Y388 HydrophobicContact CG-CD2 3.96Å; P365-Y388 HydrophobicContact CG-CG 4.35Å; Y388-P390 HydrophobicContact CD2-CG 4.43Å; Y388-P390 HydrophobicContact CE1-CB 4.1Å; Y388-P390 HydrophobicContact CE1-CG 4.28Å; Y388-P390 HydrophobicContact CE2-CG 3.86Å; Y388-E391 HydrophobicContact CD1-CG 4.19Å; Y388-E391 HydrophobicContact CE1-CG 3.9Å | ||
| 389 | G | 97.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | trans | -87.1 | -29.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | H320 P387 E391 Q392 Y393 S394 | H320-G389 CarbonylContact O-C 3.33Å; H320-G389 WeakPolarHBondContact O-CA 3.33Å; P387-G389 PolarHBondContact O-N 2.94Å; G389-E391 VanDerWaalsContact C-N 3.33Å; G389-E391 PolarHBondContact O-N 2.86Å; G389-Q392 PolarHBondContact O-N 3.03Å; G389-Y393 PolarHBondContact O-N 2.94Å; G389-S394 VanDerWaalsContact CA-O 3.26Å; G389-S394 WeakPolarHBondContact CA-O 3.36Å; G389-S394 PolarHBondContact O-N 2.92Å | ||
| 390 | P | 98 | Very high | 98 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -52.9 | -39.9 | -174.5 | -33.4 | 38.6 | 0 | 0 | 0 | 116.1 | L321 Y388 Q392 Y393 | L321-P390 HydrophobicContact CD2-CG 3.67Å; L321-P390 HydrophobicContact CG-CG 3.73Å; Y388-P390 HydrophobicContact CD2-CG 4.43Å; Y388-P390 HydrophobicContact CE1-CB 4.1Å; Y388-P390 HydrophobicContact CE1-CG 4.28Å; Y388-P390 HydrophobicContact CE2-CG 3.86Å; P390-Q392 PolarHBondContact O-N 3.35Å; P390-Y393 PolarHBondContact O-N 2.97Å; P390-Y393 VanDerWaalsContact O-N 3.16Å |
| 391 | E | 95.6 | Very high | 98.1 | Very high | 156 Ų | 156 | 61.6 Ų | 61.6 | 73% | 0.729 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -65.7 | -24.7 | 177.9 | -75.4 | 174 | -171.2 | 0 | 0 | 113.7 | Y388 G389 | Y388-E391 HydrophobicContact CD1-CG 4.19Å; Y388-E391 HydrophobicContact CE1-CG 3.9Å; G389-E391 VanDerWaalsContact C-N 3.33Å; G389-E391 PolarHBondContact O-N 2.86Å |
| 392 | Q | 96.2 | Very high | 98 | Very high | 146 Ų | 146 | 57.8 Ų | 57.8 | 68% | 0.682 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -97.6 | 2.7 | 179.7 | -60.7 | 177.5 | 34.2 | 0 | 0 | 112.3 | G389 P390 S394 | G389-Q392 PolarHBondContact O-N 3.03Å; P390-Q392 PolarHBondContact O-N 3.35Å; Q392-S394 PolarHBondContact O-N 2.67Å; Q392-S394 VanDerWaalsContact O-N 3.13Å |
| 393 | Y | 97.8 | Very high | 97.7 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 12% | 0.122 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30.7 | -175.5 | -63.7 | -97.6 | 0 | 0 | 0 | 113.1 | Q114 L115 S118 Q317 H320 G389 P390 | Q114-Y393 HydrophobicContact CB-CD1 4Å; Q114-Y393 HydrophobicContact CB-CD2 3.92Å; Q114-Y393 HydrophobicContact CB-CE1 3.83Å; Q114-Y393 HydrophobicContact CB-CE2 3.76Å; Q114-Y393 HydrophobicContact CB-CG 4.03Å; Q114-Y393 HydrophobicContact CG-CD2 4.41Å; Q114-Y393 HydrophobicContact CG-CE2 4.26Å; L115-Y393 HydrophobicContact CB-CD1 4.48Å; L115-Y393 HydrophobicContact CB-CE1 4.02Å; L115-Y393 HydrophobicContact CD1-CD1 4.13Å; L115-Y393 HydrophobicContact CD1-CE1 3.91Å; S118-Y393 VanDerWaalsContact CB-O 3.25Å; S118-Y393 WeakPolarHBondContact CB-O 3.1Å; Q317-Y393 HydrophobicContact CG-CE1 4.12Å; Q317-Y393 PolarHBondContact NE2-OH 3.38Å; H320-Y393 VanDerWaalsContact CD2-C 3.46Å; H320-Y393 WeakPolarHBondContact CD2-CA 3.45Å; H320-Y393 PolarHBondContact CE1-O 3.15Å; H320-Y393 VanDerWaalsContact CG-C 3.41Å; H320-Y393 PolarHBondContact ND1-O 2.89Å; G389-Y393 PolarHBondContact O-N 2.94Å; P390-Y393 PolarHBondContact O-N 2.97Å; P390-Y393 VanDerWaalsContact O-N 3.16Å |
| 394 | S | 98.3 | Very high | 97.3 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -158.6 | 131.8 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | H320 K324 G389 Q392 | H320-S394 CarbonylContact O-C 3.59Å; K324-S394 VanDerWaalsContact CE-OG 3.22Å; K324-S394 WeakPolarHBondContact CE-OG 2.87Å; K324-S394 PolarHBondContact NZ-OG 3.28Å; G389-S394 VanDerWaalsContact CA-O 3.26Å; G389-S394 WeakPolarHBondContact CA-O 3.36Å; G389-S394 PolarHBondContact O-N 2.92Å; Q392-S394 PolarHBondContact O-N 2.67Å; Q392-S394 VanDerWaalsContact O-N 3.13Å |
| 395 | A | 98.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 158.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | H320 L321 G322 K324 K397 | H320-A395 WeakPolarHBondContact O-CA 3.32Å; H320-A395 PolarHBondContact O-N 3.1Å; H320-A395 VanDerWaalsContact O-N 3.11Å; L321-A395 WeakPolarHBondContact O-CB 3.36Å; G322-A395 WeakPolarHBondContact O-CB 3.48Å; K324-A395 HydrophobicContact CB-CB 4.28Å; K324-A395 HydrophobicContact CD-CB 4.04Å; K324-A395 HydrophobicContact CG-CB 3.91Å; A395-K397 PolarHBondContact O-N 3.49Å |
| 396 | M | 98.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 69.7 Ų | 69.7 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 126.7 | 172.5 | 176.2 | -177.2 | 176.2 | 0 | 0 | 109.3 | G322 V323 K324 L384 S385 P387 | G322-M396 PolarHBondContact O-N 3.13Å; V323-M396 CarbonylContact C-O 3.55Å; V323-M396 WeakPolarHBondContact CA-O 3.46Å; V323-M396 WeakPolarHBondContact CG1-O 3.44Å; V323-M396 HydrophobicContact CG2-CB 4.4Å; V323-M396 HydrophobicContact CG2-SD 4.44Å; K324-M396 PolarHBondContact N-O 3.08Å; L384-M396 HydrophobicContact CB-CE 4.4Å; L384-M396 HydrophobicContact CD2-CE 4.41Å; S385-M396 VanDerWaalsContact O-SD 3.39Å; P387-M396 HydrophobicContact CG-CB 4.3Å |
| 397 | K | 98.7 | Very high | 93.7 | Very high | 153 Ų | 153 | 76 Ų | 76 | 67% | 0.665 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.3 | 178 | -64.8 | -179.3 | -176.5 | 175.9 | 0 | 109.4 | K324 A395 | K324-K397 HydrophobicContact CG-CG 4.35Å; K324-K397 CarbonylContact O-C 3.59Å; K324-K397 VanDerWaalsContact O-CA 3.26Å; K324-K397 WeakPolarHBondContact O-CA 3.38Å; A395-K397 PolarHBondContact O-N 3.49Å |
| 398 | H | 98.6 | Very high | 91.2 | Very high | 35 Ų | 35 | 76.4 Ų | 76.4 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | trans | -143.1 | 133.2 | 175.6 | -170.2 | 73.2 | 0 | 0 | 0 | 110.4 | V323 K324 G325 Y359 E382 L384 F400 | V323-H398 HydrophobicContact CG1-CB 3.84Å; K324-H398 PolarHBondContact O-N 3.35Å; G325-H398 VanDerWaalsContact CA-O 3.32Å; G325-H398 WeakPolarHBondContact CA-O 3.24Å; Y359-H398 WeakPolarHBondContact CE1-O 3.22Å; Y359-H398 PolarHBondContact OH-O 2.86Å; E382-H398 IonicContact OE1-CE1 2.74Å; E382-H398 PolarHBondContact OE1-CE1 3.46Å; E382-H398 IonicContact OE1-NE2 3.66Å; E382-H398 PolarHBondContact OE1-NE2 3.37Å; E382-H398 IonicContact OE2-CE1 3.42Å; E382-H398 IonicContact OE2-NE2 2.85Å; E382-H398 PolarHBondContact OE2-NE2 3.39Å; L384-H398 HydrophobicContact CD1-CB 4Å; H398-F400 AromaticContact CD2-CD1 3.64Å; H398-F400 AromaticContact CD2-CE1 3.32Å; H398-F400 WeakPolarHBondContact CD2-CE1 3.49Å; H398-F400 AromaticContact CD2-CZ 3.65Å; H398-F400 AromaticContact NE2-CD1 3.63Å; H398-F400 AromaticContact NE2-CE1 3.46Å; H398-F400 WeakPolarHBondContact NE2-CE1 3.37Å | ||
| 399 | N | 98.5 | Very high | 88.7 | Confident | 86 Ų | 86 | 80.3 Ų | 80.3 | 46% | 0.46 | 42% | 0.42 | S | S | . | . | trans | -111 | 135.5 | 177.8 | -68.7 | -24.9 | 0 | 0 | 0 | 109.3 | Q326 F328 | Q326-N399 PolarHBondContact N-OD1 3.06Å; Q326-N399 CarbonylContact O-C 3.34Å; Q326-N399 WeakPolarHBondContact O-CA 3.39Å; Q326-N399 WeakPolarHBondContact O-CB 3.36Å; F328-N399 HydrophobicContact CD2-CB 4.2Å; F328-N399 HydrophobicContact CE2-CB 3.94Å | ||
| 400 | F | 98.5 | Very high | 86 | Confident | 1 Ų | 1 | 85.2 Ų | 85.2 | 0% | 0.004 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 143.3 | 174.9 | -63.5 | -65.2 | 0 | 0 | 0 | 110.3 | Q326 V327 F328 V340 Y359 F370 V372 L380 E382 L384 H398 | Q326-F400 PolarHBondContact O-N 2.98Å; V327-F400 CarbonylContact C-O 3.54Å; V327-F400 WeakPolarHBondContact CA-O 3.46Å; V327-F400 HydrophobicContact CG1-CB 4.46Å; V327-F400 HydrophobicContact CG2-CB 4.23Å; V327-F400 HydrophobicContact CG2-CD2 4.25Å; F328-F400 PolarHBondContact N-O 3.12Å; V340-F400 HydrophobicContact CG1-CE2 4.03Å; Y359-F400 HydrophobicContact CD1-CD2 4.35Å; Y359-F400 AromaticContact CE1-CD2 3.56Å; Y359-F400 HydrophobicContact CE1-CD2 3.56Å; Y359-F400 AromaticContact CE1-CE2 3.71Å; Y359-F400 HydrophobicContact CE1-CE2 3.71Å; Y359-F400 AromaticContact CE2-CE2 3.91Å; Y359-F400 HydrophobicContact CE2-CE2 3.91Å; Y359-F400 AromaticContact CZ-CD2 3.69Å; Y359-F400 AromaticContact CZ-CE2 3.3Å; Y359-F400 WeakPolarHBondContact OH-CE2 3.08Å; F370-F400 HydrophobicContact CB-CE1 4.2Å; F370-F400 HydrophobicContact CB-CZ 3.66Å; F370-F400 HydrophobicContact CD1-CE2 4.19Å; F370-F400 AromaticContact CD1-CZ 3.9Å; F370-F400 HydrophobicContact CD1-CZ 3.9Å; F370-F400 HydrophobicContact CD2-CZ 4.43Å; F370-F400 HydrophobicContact CG-CE2 4.48Å; F370-F400 AromaticContact CG-CZ 3.74Å; F370-F400 HydrophobicContact CG-CZ 3.74Å; V372-F400 HydrophobicContact CG2-CB 4.29Å; V372-F400 HydrophobicContact CG2-CD1 4.05Å; V372-F400 HydrophobicContact CG2-CD2 3.58Å; V372-F400 HydrophobicContact CG2-CE1 4.2Å; V372-F400 HydrophobicContact CG2-CE2 3.73Å; V372-F400 HydrophobicContact CG2-CG 3.72Å; V372-F400 HydrophobicContact CG2-CZ 4.05Å; L380-F400 HydrophobicContact CD2-CB 3.84Å; L380-F400 HydrophobicContact CD2-CD1 3.35Å; L380-F400 HydrophobicContact CD2-CE1 4.19Å; L380-F400 HydrophobicContact CD2-CG 3.93Å; E382-F400 HydrophobicContact CB-CE1 4.24Å; E382-F400 WeakPolarHBondContact OE2-CE1 3.18Å; L384-F400 HydrophobicContact CD1-CZ 4.16Å; H398-F400 AromaticContact CD2-CD1 3.64Å; H398-F400 AromaticContact CD2-CE1 3.32Å; H398-F400 WeakPolarHBondContact CD2-CE1 3.49Å; H398-F400 AromaticContact CD2-CZ 3.65Å; H398-F400 AromaticContact NE2-CD1 3.63Å; H398-F400 AromaticContact NE2-CE1 3.46Å; H398-F400 WeakPolarHBondContact NE2-CE1 3.37Å |
| 401 | K | 97.5 | Very high | 83.3 | Confident | 122 Ų | 122 | 97.1 Ų | 97.1 | 53% | 0.53 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 114.2 | 175.4 | -170.2 | 174.5 | -177.9 | 175.2 | 0 | 110.5 | F328 D329 G330 | F328-K401 CarbonylContact O-C 3.49Å; F328-K401 WeakPolarHBondContact O-CA 3.1Å; D329-K401 VanDerWaalsContact O-CE 3.3Å; D329-K401 WeakPolarHBondContact O-CE 3.12Å; G330-K401 WeakPolarHBondContact O-CE 3.36Å; G330-K401 PolarHBondContact O-NZ 3.07Å |
| 402 | L | 95.9 | Very high | 80.7 | Confident | 1 Ų | 1 | 95.1 Ų | 95.1 | 1% | 0.005 | 49% | 0.492 | C | S | . | . | trans | -81.6 | 145.3 | -179.2 | -65 | 178.2 | 0 | 0 | 0 | 111.7 | V327 F328 G330 V372 Y374 H377 L380 | V327-L402 HydrophobicContact CG1-CD1 3.74Å; V327-L402 HydrophobicContact CG1-CG 3.82Å; F328-L402 PolarHBondContact O-N 3.09Å; G330-L402 PolarHBondContact N-O 2.9Å; V372-L402 HydrophobicContact CB-CD2 4.34Å; V372-L402 HydrophobicContact CG1-CD2 3.99Å; Y374-L402 HydrophobicContact CG-CD1 4.36Å; H377-L402 HydrophobicContact CB-CB 4.16Å; H377-L402 HydrophobicContact CB-CD1 4.34Å; L380-L402 HydrophobicContact CB-CD2 4.11Å | ||
| 403 | R | 93.4 | Very high | 77.8 | Confident | 176 Ų | 176 | 96.9 Ų | 96.9 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | trans | -106.9 | 136.5 | 173.4 | -60.1 | -179 | 77.9 | 173.6 | 1.7 | 109.1 | H377 E378 | H377-R403 CarbonylContact C-O 3.58Å; H377-R403 VanDerWaalsContact CA-O 3.28Å; H377-R403 WeakPolarHBondContact CA-O 3.28Å; H377-R403 WeakPolarHBondContact CB-O 3.46Å; E378-R403 PolarHBondContact N-O 3.07Å | ||
| 404 | R | 88.8 | Confident | 74.9 | Confident | 163 Ų | 163 | 99.5 Ų | 99.5 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | B | Isolated β-bridge | trans | -69.1 | 142.6 | 173.3 | -77.5 | -169.7 | 177.9 | -165.8 | 0.8 | 109.9 | A406 | R404-A406 PolarHBondContact O-N 3.41Å |
| 405 | V | 85.4 | Confident | 71.9 | Confident | 84 Ų | 84 | 106.4 Ų | 106.4 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 125.7 | 170.9 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | G376 E378 S407 | G376-V405 PolarHBondContact O-N 3.45Å; E378-V405 HydrophobicContact CG-CG2 4.16Å; V405-S407 PolarHBondContact O-N 3.27Å |
| 406 | A | 75.7 | Confident | 69.1 | Low | 79 Ų | 79 | 111.9 Ų | 111.9 | 65% | 0.653 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | R404 A408 | R404-A406 PolarHBondContact O-N 3.41Å; A406-A408 VanDerWaalsContact C-N 3.29Å; A406-A408 PolarHBondContact O-N 3Å |
| 407 | S | 59.8 | Low | 66.3 | Low | 137 Ų | 137 | 112.6 Ų | 112.6 | 96% | 0.958 | 60% | 0.603 | S | S | * | * | trans | -65.2 | 89.3 | -177.9 | -160 | 0 | 0 | 0 | 0 | 110.3 | V405 | V405-S407 PolarHBondContact O-N 3.27Š| ||
| 408 | A | 45.7 | Very low | 63.5 | Low | 70 Ų | 70 | 108.1 Ų | 108.1 | 58% | 0.579 | 59% | 0.59 | S | S | * | * | trans | -114.3 | 132.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | A406 V410 | A406-A408 VanDerWaalsContact C-N 3.29Å; A406-A408 PolarHBondContact O-N 3Å; A408-V410 PolarHBondContact O-N 3.22Å | ||
| 409 | T | 44.8 | Very low | 61 | Low | 156 Ų | 156 | 109.7 Ų | 109.7 | 96% | 0.957 | 61% | 0.605 | S | S | * | * | trans | -53.7 | 78.4 | 175.9 | 38.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 410 | V | 42.2 | Very low | 59.2 | Low | 105 Ų | 105 | 107.8 Ų | 107.8 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -129.1 | 105.6 | 166 | -170.5 | 0 | 0 | 0 | 0 | 105.8 | A408 V412 | A408-V410 PolarHBondContact O-N 3.22Å; V410-V412 HydrophobicContact CB-CG2 4.13Å; V410-V412 HydrophobicContact CG1-CG2 3.5Å; V410-V412 PolarHBondContact O-N 3.45Å | ||
| 411 | R | 41.1 | Very low | 56.9 | Low | 254 Ų | 254 | 113 Ų | 113 | 96% | 0.958 | 63% | 0.625 | S | S | * | * | trans | -66.3 | 80.3 | 158.1 | -80.8 | -177.3 | 174.7 | -177.9 | -1.5 | 106.5 | Q413 | R411-Q413 PolarHBondContact O-N 2.91Å; R411-Q413 VanDerWaalsContact O-N 3.15Å | ||
| 412 | V | 40.2 | Very low | 54.5 | Low | 113 Ų | 113 | 111.6 Ų | 111.6 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | trans | -68.4 | 108.5 | 159.9 | -176.6 | 0 | 0 | 0 | 0 | 103.9 | V410 A414 | V410-V412 HydrophobicContact CB-CG2 4.13Å; V410-V412 HydrophobicContact CG1-CG2 3.5Å; V410-V412 PolarHBondContact O-N 3.45Å; V412-A414 VanDerWaalsContact C-N 3.25Å; V412-A414 PolarHBondContact O-N 3.03Å | ||
| 413 | Q | 35.7 | Very low | 51.4 | Low | 184 Ų | 184 | 115.6 Ų | 115.6 | 86% | 0.86 | 65% | 0.646 | S | S | * | * | trans | -56 | 104.6 | 158.1 | -83.3 | 177.6 | -35.8 | 0 | 0 | 104.8 | R411 E415 | R411-Q413 PolarHBondContact O-N 2.91Å; R411-Q413 VanDerWaalsContact O-N 3.15Å; Q413-E415 PolarHBondContact O-N 2.88Å | ||
| 414 | A | 36.4 | Very low | 48.7 | Very low | 86 Ų | 86 | 113.1 Ų | 113.1 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -54.1 | 116.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 104.9 | V412 | V412-A414 VanDerWaalsContact C-N 3.25Å; V412-A414 PolarHBondContact O-N 3.03Å | ||
| 415 | E | 36.5 | Very low | 45.8 | Very low | 172 Ų | 172 | 111.9 Ų | 111.9 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | trans | -51.2 | 129.5 | 161.8 | -75.2 | -164.2 | 162.6 | 0 | 0 | 105.5 | Q413 S417 | Q413-E415 PolarHBondContact O-N 2.88Å; E415-S417 PolarHBondContact O-N 3.26Å | ||
| 416 | P | 38.4 | Very low | 43.2 | Very low | 121 Ų | 121 | 113.6 Ų | 113.6 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | trans | -56.3 | 109.1 | 177.6 | 21.8 | -29.6 | 0 | 0 | 0 | 106.3 | ||||
| 417 | S | 39.8 | Very low | 41 | Very low | 66 Ų | 66 | 121.7 Ų | 121.7 | 46% | 0.462 | 68% | 0.676 | S | S | . | * | trans | -50.1 | 130.9 | 164.4 | -51.6 | 0 | 0 | 0 | 0 | 105.2 | E415 S419 | E415-S417 PolarHBondContact O-N 3.26Å; S417-S419 PolarHBondContact O-N 3.42Å | ||
| 418 | P | 41.6 | Very low | 39.5 | Very low | 60 Ų | 60 | 119.3 Ų | 119.3 | 39% | 0.39 | 67% | 0.673 | S | S | . | * | trans | -48.6 | 108.1 | 179 | -25 | 31.8 | 0 | 0 | 0 | 107.8 | C420 L425 | P418-C420 PolarHBondContact O-N 3.13Å; P418-L425 HydrophobicContact CB-CD2 4.37Å | ||
| 419 | S | 44.8 | Very low | 38.6 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 48% | 0.476 | 68% | 0.683 | S | S | . | * | trans | -73.9 | 122.6 | 174.7 | 55.6 | 0 | 0 | 0 | 0 | 104.3 | S417 N421 | S417-S419 PolarHBondContact O-N 3.42Å; S419-N421 PolarHBondContact O-N 2.94Å | ||
| 420 | C | 60.7 | Low | 37.7 | Very low | 45 Ų | 45 | 117 Ų | 117 | 30% | 0.304 | 68% | 0.677 | S | S | . | * | trans | -65.3 | 25.6 | 158.5 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | C349 P418 Y422 | C349-C420 WeakPolarHBondContact CA-SG 3.33Å; C349-C420 HydrophobicContact CB-CB 4.27Å; C349-C420 WeakPolarHBondContact CB-SG 3.26Å; C349-C420 WeakPolarHBondContact SG-CB 3.48Å; C349-C420 CovalentContact SG-SG 2.02Å; C349-C420 PolarHBondContact SG-SG 3.46Å; P418-C420 PolarHBondContact O-N 3.13Å; C420-Y422 PolarHBondContact O-N 3.39Å | ||
| 421 | N | 49.9 | Very low | 37.1 | Very low | 110 Ų | 110 | 116.8 Ų | 116.8 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -67.7 | 131.4 | 160 | -82.3 | -16.7 | 0 | 0 | 0 | 105.7 | S419 S423 | S419-N421 PolarHBondContact O-N 2.94Å; N421-S423 PolarHBondContact O-N 2.72Å |
| 422 | Y | 48.3 | Very low | 36.6 | Very low | 93 Ų | 93 | 110 Ų | 110 | 37% | 0.365 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -52 | 7.2 | 178.3 | -62.6 | -92.1 | 0 | 0 | 0 | 115.5 | L170 E172 R187 C420 | L170-Y422 HydrophobicContact CB-CD1 3.69Å; L170-Y422 HydrophobicContact CB-CE1 4.43Å; L170-Y422 HydrophobicContact CD1-CD1 3.83Å; L170-Y422 HydrophobicContact CD1-CG 4.49Å; L170-Y422 HydrophobicContact CG-CD1 4.37Å; E172-Y422 PolarHBondContact OE1-OH 3.28Å; R187-Y422 PolarHBondContact NH2-OH 3.27Å; C420-Y422 PolarHBondContact O-N 3.39Å |
| 423 | S | 30.5 | Very low | 35.9 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -112.9 | 98.8 | -179 | -0.7 | 0 | 0 | 0 | 0 | 109.8 | N421 | N421-S423 PolarHBondContact O-N 2.72Š|
| 424 | L | 36.3 | Very low | 35.5 | Very low | 124 Ų | 124 | 104.4 Ų | 104.4 | 65% | 0.649 | 68% | 0.683 | S | S | * | * | trans | 33.3 | 110.6 | 145.4 | -62.3 | 164.5 | 0 | 0 | 0 | 117.4 | ||||
| 425 | L | 28.1 | Very low | 35.1 | Very low | 137 Ų | 137 | 104.6 Ų | 104.6 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | trans | -63.3 | 127.3 | 150.5 | -73.5 | 166.5 | 0 | 0 | 0 | 108.7 | P418 R427 | P418-L425 HydrophobicContact CB-CD2 4.37Å; L425-R427 PolarHBondContact O-N 2.95Å | ||
| 426 | P | 30 | Very low | 34.6 | Very low | 119 Ų | 119 | 107.8 Ų | 107.8 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | trans | -68.3 | 131.1 | 168.7 | -9.8 | 24.3 | 0 | 0 | 0 | 109.3 | G428 | P426-G428 PolarHBondContact O-N 3.44Š| ||
| 427 | R | 31.1 | Very low | 34.2 | Very low | 250 Ų | 250 | 109.8 Ų | 109.8 | 94% | 0.943 | 69% | 0.693 | S | S | * | * | trans | -56.7 | 108.8 | 165.1 | -86.2 | -179.4 | 171.1 | -178.5 | -2.4 | 109.4 | L425 G429 | L425-R427 PolarHBondContact O-N 2.95Å; R427-G429 PolarHBondContact O-N 2.86Å; R427-G429 VanDerWaalsContact O-N 3.13Å | ||
| 428 | G | 27.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | trans | -72.6 | 94.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P426 | P426-G428 PolarHBondContact O-N 3.44Š| ||
| 429 | G | 27.4 | Very low | 32.9 | Very low | 76 Ų | 76 | 115.3 Ų | 115.3 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | trans | -103.2 | 110.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | R427 | R427-G429 PolarHBondContact O-N 2.86Å; R427-G429 VanDerWaalsContact O-N 3.13Å | ||
| 430 | A | 25.9 | Very low | 32.2 | Very low | 102 Ų | 102 | 118.6 Ų | 118.6 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -141.8 | 74.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 431 | A | 29.2 | Very low | 30.7 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -72.1 | 132.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | G433 | A431-G433 PolarHBondContact O-N 3.19Š| ||
| 432 | A | 30.5 | Very low | 29.5 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -52.1 | 116.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 433 | G | 26.2 | Very low | 28.5 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 111 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A431 | A431-G433 PolarHBondContact O-N 3.19Š| ||
| 434 | S | 27.7 | Very low | 28.4 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -55.6 | 133.2 | 172 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | W436 | S434-W436 PolarHBondContact O-N 3.5Š| ||
| 435 | A | 27.3 | Very low | 28.1 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | trans | -60.9 | 126.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 436 | W | 26.8 | Very low | 28.2 | Very low | 239 Ų | 239 | 128.7 Ų | 128.7 | 91% | 0.905 | 82% | 0.822 | S | S | * | * | trans | -128.9 | 110.9 | 157.9 | -83.9 | 66.5 | 0 | 0 | 0 | 108.1 | S434 | S434-W436 PolarHBondContact O-N 3.5Š| ||
| 437 | N | 28.2 | Very low | 28.3 | Very low | 162 Ų | 162 | 129 Ų | 129 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -69.6 | 136.3 | 176.3 | -83.1 | -22 | 0 | 0 | 0 | 110.4 | ||||
| 438 | G | 26.4 | Very low | 28.3 | Very low | 74 Ų | 74 | 123.2 Ų | 123.2 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -68.4 | 152.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 439 | L | 28.3 | Very low | 28.6 | Very low | 169 Ų | 169 | 126.4 Ų | 126.4 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -138.7 | 109.7 | 156 | -105.6 | 156.8 | 0 | 0 | 0 | 107.6 | ||||
| 440 | T | 29.5 | Very low | 28.8 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -70.5 | 129.4 | 166.6 | 40.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 441 | V | 30.3 | Very low | 29.4 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -143.2 | 126.9 | 152 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 442 | G | 25.4 | Very low | 29.6 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | trans | -92 | -165 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 443 | F | 27 | Very low | 29.7 | Very low | 204 Ų | 204 | 137 Ų | 137 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | 80.5 | 102.7 | 171.2 | -75.5 | -76.5 | 0 | 0 | 0 | 117.8 | ||||
| 444 | S | 27.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | 149.7 | 139 | 92 | -84.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 445 | L | 29.6 | Very low | 30.6 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | -40.8 | 132.8 | 163.5 | -112.8 | 78.3 | 0 | 0 | 0 | 113.6 | ||||
| 446 | V | 30.8 | Very low | 30.7 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | trans | -148.4 | 113.8 | 135.4 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | V448 | V446-V448 HydrophobicContact CG1-CG2 4.21Š| ||
| 447 | T | 31.5 | Very low | 31 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -70.4 | 131 | 159.4 | 24.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 448 | V | 32.4 | Very low | 31.1 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 78% | 0.782 | 83% | 0.833 | S | S | * | * | trans | -142.6 | 120.8 | 149.9 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | V446 | V446-V448 HydrophobicContact CG1-CG2 4.21Š| ||
| 449 | L | 32.9 | Very low | 31.4 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 80% | 0.801 | 84% | 0.837 | S | S | * | * | trans | -64.1 | 140.3 | 164 | -86.6 | 121.4 | 0 | 0 | 0 | 110.8 | ||||
| 450 | Q | 32.1 | Very low | 31.6 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | -169.9 | 117 | 126.2 | -107.8 | 161.9 | -13.6 | 0 | 0 | 112.1 | |||||
| 451 | T | 36.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | trans | -40.1 | 144.8 | 148.5 | 41.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 452 | V | 33.7 | Very low | 31.9 | Very low | 141 Ų | 141 | 147.8 Ų | 147.8 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | -171.6 | 138.2 | 122 | 151.8 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 453 | M | 33.8 | Very low | 32.4 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 81% | 0.808 | 85% | 0.849 | S | S | * | * | trans | -59.9 | 142.2 | 174.2 | -64.4 | 153.8 | 57.5 | 0 | 0 | 112.2 | ||||
| 454 | D | 40.9 | Very low | 32.9 | Very low | 240 Ų | 240 | 150.7 Ų | 150.7 | 100% | 1.283 | 85% | 0.845 | S | S | * | * | -156.7 | 0 | 117.8 | -89.8 | -22.2 | 0 | 0 | 0 | 109.3 |
Retrieved 454 of 454 residues in 338.3 ms
(Link to these results)