| 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 | 79.2 | Confident | 91.5 | Very high | 56 Ų | 56 | 26.5 Ų | 26.5 | 28% | 0.276 | 14% | 0.137 | S | C | . | . | 0 | 122.4 | 0 | 169.9 | -178.8 | -84.8 | 0 | 0 | 107.8 | L3 V44 T62 D64 V66 T146 I147 L149 | M1-L3 HydrophobicContact CG-CD1 4.28Å; M1-V44 HydrophobicContact CE-CG2 4.28Å; M1-V44 HydrophobicContact CG-CG2 4.3Å; M1-V44 HydrophobicContact SD-CG2 4.15Å; M1-T62 HydrophobicContact CE-CG2 4.09Å; M1-T62 HydrophobicContact SD-CG2 3.93Å; M1-D64 HydrophobicContact CE-CB 4.43Å; M1-D64 WeakPolarHBondContact CE-OD2 2.91Å; M1-V66 HydrophobicContact SD-CG2 4.22Å; M1-T146 CarbonylContact O-C 3.51Å; M1-I147 PolarHBondContact N-O 3.4Å; M1-I147 PolarHBondContact O-N 2.95Å; M1-L149 HydrophobicContact CB-CD1 3.58Å; M1-L149 HydrophobicContact CB-CG 3.91Å; M1-L149 HydrophobicContact CE-CD1 3.9Å; M1-L149 HydrophobicContact CG-CD1 4.45Å; M1-L149 HydrophobicContact SD-CD1 4.2Å | |||
| 2 | D | 87.1 | Confident | 91.3 | Very high | 72 Ų | 72 | 29.3 Ų | 29.3 | 39% | 0.385 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 136.6 | 176.5 | -71.6 | -11.8 | 0 | 0 | 0 | 109.9 | P143 L145 T146 | D2-P143 HydrophobicContact CB-CB 4.21Å; D2-L145 CarbonylContact C-O 3.47Å; D2-L145 WeakPolarHBondContact CA-O 3.49Å; D2-T146 VanDerWaalsContact OD1-CB 3.28Å; D2-T146 WeakPolarHBondContact OD1-CB 3.42Å; D2-T146 VanDerWaalsContact OD1-CG2 3.25Å; D2-T146 WeakPolarHBondContact OD1-CG2 3.49Å; D2-T146 PolarHBondContact OD1-OG1 3.15Å |
| 3 | L | 91 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.4 | 166.6 | -80 | 68.1 | 0 | 0 | 0 | 107.5 | M1 P43 I68 V119 I121 P143 I144 L145 I147 | M1-L3 HydrophobicContact CG-CD1 4.28Å; L3-P43 HydrophobicContact CB-CB 4.24Å; L3-P43 HydrophobicContact CG-CB 4.46Å; L3-I68 HydrophobicContact CD2-CD1 3.7Å; L3-I68 HydrophobicContact CD2-CG1 4.11Å; L3-I68 HydrophobicContact CD2-CG2 4.34Å; L3-I68 HydrophobicContact CG-CD1 4.19Å; L3-V119 HydrophobicContact CD2-CG1 4.09Å; L3-I121 HydrophobicContact CD2-CD1 3.71Å; L3-P143 CarbonylContact O-C 3.54Å; L3-P143 WeakPolarHBondContact O-CA 3.27Å; L3-I144 VanDerWaalsContact O-CG1 3.27Å; L3-I144 WeakPolarHBondContact O-CG1 3.38Å; L3-I144 PolarHBondContact O-N 3.05Å; L3-L145 HydrophobicContact CB-CB 4.24Å; L3-L145 HydrophobicContact CD2-CD1 4.42Å; L3-L145 PolarHBondContact N-O 2.86Å; L3-L145 PolarHBondContact O-N 3.45Å; L3-I147 HydrophobicContact CD1-CD1 3.4Å; L3-I147 HydrophobicContact CD1-CG1 3.85Å; L3-I147 HydrophobicContact CD2-CD1 4.36Å |
| 4 | L | 92.6 | Very high | 91.1 | Very high | 43 Ų | 43 | 27.3 Ų | 27.3 | 23% | 0.225 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 159.4 | 173 | -55.7 | -179.1 | 0 | 0 | 0 | 110.4 | P43 A96 E140 T142 P143 | L4-P43 PolarHBondContact N-O 2.95Å; L4-P43 WeakPolarHBondContact O-CB 3.15Å; L4-A96 HydrophobicContact CD1-CB 4.17Å; L4-E140 WeakPolarHBondContact CB-O 3.38Å; L4-T142 CarbonylContact C-O 3.54Å; L4-T142 WeakPolarHBondContact CA-O 3.36Å; L4-P143 HydrophobicContact CD2-CB 4.44Å; L4-P143 HydrophobicContact CD2-CG 3.95Å |
| 5 | S | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 128.2 | 171.3 | -160 | 0 | 0 | 0 | 0 | 109.3 | V7 V138 N139 E140 T142 | S5-V7 WeakPolarHBondContact CB-O 3.49Å; S5-V7 PolarHBondContact O-N 3.05Å; S5-V7 PolarHBondContact OG-O 3.35Å; S5-V138 WeakPolarHBondContact OG-CG2 2.8Å; S5-N139 VanDerWaalsContact CB-O 3.22Å; S5-N139 WeakPolarHBondContact CB-O 3.38Å; S5-E140 WeakPolarHBondContact O-CA 2.71Å; S5-T142 PolarHBondContact N-O 3.04Å |
| 6 | P | 96 | Very high | 91 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -72.4 | -16.1 | 174.8 | 31.8 | -37.5 | 0 | 0 | 0 | 112.1 | I33 I40 T41 L70 V117 V119 | P6-I33 HydrophobicContact CG-CD1 4.33Å; P6-I40 HydrophobicContact CB-CG2 4.15Å; P6-I40 CarbonylContact O-C 3.55Å; P6-I40 WeakPolarHBondContact O-CA 3.43Å; P6-T41 WeakPolarHBondContact CA-O 3.36Å; P6-T41 WeakPolarHBondContact CB-O 3.31Å; P6-T41 PolarHBondContact O-N 2.85Å; P6-T41 PolarHBondContact O-OG1 3.24Å; P6-L70 HydrophobicContact CB-CD1 4.49Å; P6-L70 HydrophobicContact CB-CD2 4.33Å; P6-L70 HydrophobicContact CG-CD2 4.22Å; P6-V117 HydrophobicContact CG-CG1 3.93Å; P6-V119 HydrophobicContact CG-CG2 3.57Å |
| 7 | V | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -145.7 | 150.4 | -177.8 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | S5 I33 P35 E37 I40 V117 | S5-V7 WeakPolarHBondContact CB-O 3.49Å; S5-V7 PolarHBondContact O-N 3.05Å; S5-V7 PolarHBondContact OG-O 3.35Å; V7-I33 HydrophobicContact CG1-CB 3.98Å; V7-I33 HydrophobicContact CG1-CG2 3.68Å; V7-P35 HydrophobicContact CG1-CB 4.26Å; V7-P35 HydrophobicContact CG2-CB 3.77Å; V7-E37 WeakPolarHBondContact CG2-O 3.34Å; V7-I40 HydrophobicContact CB-CD1 3.79Å; V7-I40 HydrophobicContact CG1-CD1 4.44Å; V7-I40 HydrophobicContact CG2-CD1 3.84Å; V7-V117 HydrophobicContact CG1-CB 4.12Å; V7-V117 HydrophobicContact CG1-CG1 4.45Å; V7-V117 HydrophobicContact CG1-CG2 4.07Å |
| 8 | T | 94.2 | Very high | 90.7 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 18% | 0.184 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -72.8 | 127 | 168.6 | -58 | 0 | 0 | 0 | 0 | 109.9 | M36 E37 V138 N139 | T8-M36 PolarHBondContact O-N 2.9Å; T8-E37 WeakPolarHBondContact CB-OE2 3.17Å; T8-E37 HydrophobicContact CG2-CG 4.48Å; T8-E37 PolarHBondContact OG1-OE2 3.06Å; T8-V138 CarbonylContact C-O 3.58Å; T8-V138 WeakPolarHBondContact CA-O 3.34Å; T8-N139 HydrophobicContact CG2-CB 4.23Å |
| 9 | G | 93.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | -169.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116 | S34 K137 V138 | G9-S34 CarbonylContact C-O 3.55Å; G9-S34 WeakPolarHBondContact CA-O 3.23Å; G9-K137 CarbonylContact O-C 3.6Å; G9-K137 WeakPolarHBondContact O-CA 3.35Å; G9-V138 PolarHBondContact N-O 2.76Å; G9-V138 WeakPolarHBondContact O-CG2 3.24Å; G9-V138 PolarHBondContact O-N 3.35Å |
| 10 | E | 91.9 | Very high | 90.4 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.9 | 173.2 | 174.3 | 157 | -152.8 | 0 | 0 | 110.6 | I33 S34 M36 K136 | E10-I33 CarbonylContact O-C 3.46Å; E10-I33 WeakPolarHBondContact O-CA 3.35Å; E10-S34 PolarHBondContact N-O 3.26Å; E10-S34 PolarHBondContact O-N 2.87Å; E10-M36 HydrophobicContact CB-CE 4.49Å; E10-K136 VanDerWaalsContact CA-O 3.25Å; E10-K136 WeakPolarHBondContact CA-O 3.2Å; E10-K136 VanDerWaalsContact CB-O 3.29Å; E10-K136 WeakPolarHBondContact CB-O 3.35Å; E10-K136 WeakPolarHBondContact CG-O 3.4Å |
| 11 | L | 91.5 | Very high | 90 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 124.3 | -179.3 | -173.6 | 66.9 | 0 | 0 | 0 | 110.2 | V31 I33 L134 L135 V138 I144 | L11-V31 HydrophobicContact CD1-CB 3.81Å; L11-V31 HydrophobicContact CD1-CG1 4.24Å; L11-V31 HydrophobicContact CD1-CG2 3.84Å; L11-I33 HydrophobicContact CD1-CD1 4.46Å; L11-I33 HydrophobicContact CD1-CG1 3.89Å; L11-L134 HydrophobicContact CD2-CD2 4.41Å; L11-L134 HydrophobicContact CG-CD2 4.24Å; L11-L135 WeakPolarHBondContact CB-O 3.25Å; L11-V138 HydrophobicContact CB-CG1 3.93Å; L11-V138 HydrophobicContact CB-CG2 4.27Å; L11-V138 HydrophobicContact CD2-CG1 4.28Å; L11-I144 HydrophobicContact CD1-CB 4.16Å; L11-I144 HydrophobicContact CD1-CG2 3.99Å; L11-I144 HydrophobicContact CD2-CG2 4.4Å |
| 12 | K | 89.7 | Confident | 90.4 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 153.6 | 179.8 | -70.8 | 176.7 | 174 | 172.9 | 0 | 111.3 | A32 S34 D116 | K12-A32 HydrophobicContact CB-CB 4.13Å; K12-A32 PolarHBondContact N-O 3.18Å; K12-A32 PolarHBondContact O-N 3.12Å; K12-A32 VanDerWaalsContact O-N 3.16Å; K12-S34 WeakPolarHBondContact CE-OG 3.43Å; K12-S34 PolarHBondContact NZ-OG 2.92Å; K12-D116 VanDerWaalsContact CD-OD2 3.27Å; K12-D116 WeakPolarHBondContact CD-OD2 3.48Å; K12-D116 IonicContact NZ-OD1 2.91Å; K12-D116 PolarHBondContact NZ-OD1 3.02Å; K12-D116 IonicContact NZ-OD2 3.72Å; K12-D116 PolarHBondContact NZ-OD2 2.87Å |
| 13 | A | 89.9 | Confident | 90.4 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 24% | 0.24 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 139.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | E15 S16 | A13-E15 WeakPolarHBondContact CB-OE2 3.37Å; A13-E15 PolarHBondContact O-N 2.93Å; A13-S16 PolarHBondContact O-N 2.92Å; A13-S16 PolarHBondContact O-OG 3.38Å |
| 14 | I | 90.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -61.9 | -31 | 177.8 | -164.2 | 71.5 | 0 | 0 | 0 | 110.8 | S16 V17 F22 S23 K25 G30 A32 M118 | I14-S16 PolarHBondContact O-N 3.45Å; I14-S16 VanDerWaalsContact O-N 3.12Å; I14-V17 HydrophobicContact CD1-CG2 4.24Å; I14-V17 WeakPolarHBondContact O-CB 3.27Å; I14-V17 WeakPolarHBondContact O-CG2 3.32Å; I14-V17 PolarHBondContact O-N 3.01Å; I14-F22 HydrophobicContact CD1-CB 4.41Å; I14-F22 WeakPolarHBondContact CG1-O 3Å; I14-S23 WeakPolarHBondContact O-CA 3.25Å; I14-K25 HydrophobicContact CG2-CD 4.39Å; I14-K25 HydrophobicContact CG2-CG 4.02Å; I14-G30 WeakPolarHBondContact CB-O 3.29Å; I14-A32 HydrophobicContact CD1-CB 4.45Å; I14-M118 HydrophobicContact CD1-CB 4.25Å; I14-M118 HydrophobicContact CD1-CG 3.89Å |
| 15 | E | 90.8 | Very high | 89.7 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -66.1 | -10.4 | 175.9 | -57.3 | 85.6 | 169.4 | 0 | 0 | 113.5 | A13 K25 K131 | A13-E15 WeakPolarHBondContact CB-OE2 3.37Å; A13-E15 PolarHBondContact O-N 2.93Å; E15-K25 WeakPolarHBondContact OE1-CE 3.36Å; E15-K25 IonicContact OE1-NZ 2.8Å; E15-K25 PolarHBondContact OE1-NZ 3.32Å; E15-K131 IonicContact OE1-NZ 3.79Å; E15-K131 PolarHBondContact OE1-NZ 3.25Å; E15-K131 IonicContact OE2-NZ 2.8Å |
| 16 | S | 88.5 | Confident | 88.9 | Confident | 69 Ų | 69 | 51.3 Ų | 51.3 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -101 | -1 | 178 | 68 | 0 | 0 | 0 | 0 | 114.4 | A13 I14 | A13-S16 PolarHBondContact O-N 2.92Å; A13-S16 PolarHBondContact O-OG 3.38Å; I14-S16 PolarHBondContact O-N 3.45Å; I14-S16 VanDerWaalsContact O-N 3.12Å |
| 17 | V | 89.7 | Confident | 88 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -69.7 | 134.1 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | I14 D19 F22 S23 A32 V74 M118 | I14-V17 HydrophobicContact CD1-CG2 4.24Å; I14-V17 WeakPolarHBondContact O-CB 3.27Å; I14-V17 WeakPolarHBondContact O-CG2 3.32Å; I14-V17 PolarHBondContact O-N 3.01Å; V17-D19 HydrophobicContact CG1-CB 4.21Å; V17-D19 PolarHBondContact O-N 3.4Å; V17-F22 HydrophobicContact CB-CB 4.34Å; V17-F22 HydrophobicContact CG1-CB 4.11Å; V17-F22 HydrophobicContact CG1-CD2 4.32Å; V17-S23 WeakPolarHBondContact O-CB 3.35Å; V17-A32 HydrophobicContact CG2-CB 3.46Å; V17-A32 VanDerWaalsContact CG2-CB 3.46Å; V17-V74 HydrophobicContact CG1-CG2 3.89Å; V17-M118 HydrophobicContact CG1-SD 4.39Å; V17-M118 HydrophobicContact CG2-CG 4.34Å |
| 18 | D | 88 | Confident | 87.4 | Confident | 157 Ų | 157 | 55.5 Ų | 55.5 | 84% | 0.84 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -80.4 | 55.5 | -179.2 | -164.7 | 21.9 | 0 | 0 | 0 | 111.4 | ||
| 19 | D | 91.2 | Very high | 87.1 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | trans | -155 | 133.2 | 176.2 | 173.3 | -98.5 | 0 | 0 | 0 | 110 | V17 V21 F22 S23 V74 | V17-D19 HydrophobicContact CG1-CB 4.21Å; V17-D19 PolarHBondContact O-N 3.4Å; D19-V21 PolarHBondContact O-N 3.04Å; D19-V21 WeakPolarHBondContact OD1-CA 3.49Å; D19-V21 VanDerWaalsContact OD1-CB 3.23Å; D19-V21 WeakPolarHBondContact OD1-CB 3.13Å; D19-V21 PolarHBondContact OD1-N 2.91Å; D19-F22 HydrophobicContact CB-CD2 3.85Å; D19-F22 WeakPolarHBondContact OD1-CD2 3.39Å; D19-F22 PolarHBondContact OD1-N 3.22Å; D19-S23 WeakPolarHBondContact O-CB 3.28Å; D19-S23 PolarHBondContact O-N 2.94Å; D19-S23 PolarHBondContact O-OG 2.79Å; D19-V74 HydrophobicContact CB-CG1 3.8Å; D19-V74 HydrophobicContact CB-CG2 4.06Å | ||
| 20 | E | 83.8 | Confident | 87 | Confident | 154 Ų | 154 | 55.9 Ų | 55.9 | 72% | 0.72 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.6 | -32.7 | -173.9 | -167.6 | 172.2 | -173.7 | 0 | 0 | 112.4 | F22 S23 A24 | E20-F22 PolarHBondContact O-N 3.01Å; E20-S23 WeakPolarHBondContact CA-OG 3.43Å; E20-A24 WeakPolarHBondContact O-CB 2.84Å; E20-A24 PolarHBondContact O-N 3.32Å |
| 21 | V | 81.1 | Confident | 87.1 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | -179.3 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | D19 I26 L27 | D19-V21 PolarHBondContact O-N 3.04Å; D19-V21 WeakPolarHBondContact OD1-CA 3.49Å; D19-V21 VanDerWaalsContact OD1-CB 3.23Å; D19-V21 WeakPolarHBondContact OD1-CB 3.13Å; D19-V21 PolarHBondContact OD1-N 2.91Å; V21-I26 HydrophobicContact CG1-CB 4.36Å; V21-I26 PolarHBondContact O-N 3.08Å; V21-I26 VanDerWaalsContact O-N 3.08Å; V21-L27 HydrophobicContact CG1-CD1 3.61Å; V21-L27 HydrophobicContact CG1-CG 3.66Å |
| 22 | F | 88.2 | Confident | 87.2 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.7 | -48.4 | 177.8 | -60.2 | -60.8 | 0 | 0 | 0 | 112.8 | I14 V17 D19 E20 A24 K25 L27 H71 V74 M118 I120 | I14-F22 HydrophobicContact CD1-CB 4.41Å; I14-F22 WeakPolarHBondContact CG1-O 3Å; V17-F22 HydrophobicContact CB-CB 4.34Å; V17-F22 HydrophobicContact CG1-CB 4.11Å; V17-F22 HydrophobicContact CG1-CD2 4.32Å; D19-F22 HydrophobicContact CB-CD2 3.85Å; D19-F22 WeakPolarHBondContact OD1-CD2 3.39Å; D19-F22 PolarHBondContact OD1-N 3.22Å; E20-F22 PolarHBondContact O-N 3.01Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.1Å; F22-K25 PolarHBondContact O-N 3.25Å; F22-L27 HydrophobicContact CD1-CD1 4.4Å; F22-L27 HydrophobicContact CE1-CD1 3.84Å; F22-L27 HydrophobicContact CZ-CD1 4.49Å; F22-H71 HydrophobicContact CE1-CB 4.25Å; F22-H71 HydrophobicContact CZ-CB 4.19Å; F22-H71 AromaticContact CZ-CD2 3.7Å; F22-H71 AromaticContact CZ-CE1 3.91Å; F22-H71 AromaticContact CZ-CG 3.64Å; F22-H71 AromaticContact CZ-ND1 3.78Å; F22-H71 AromaticContact CZ-NE2 3.88Å; F22-V74 HydrophobicContact CD2-CG2 4.26Å; F22-V74 HydrophobicContact CE2-CG2 4.33Å; F22-M118 HydrophobicContact CD1-CE 4.43Å; F22-M118 HydrophobicContact CD1-CG 4.24Å; F22-M118 HydrophobicContact CD2-CE 3.85Å; F22-M118 HydrophobicContact CE1-CE 4.13Å; F22-M118 HydrophobicContact CE2-CE 3.54Å; F22-M118 HydrophobicContact CG-CE 4.31Å; F22-M118 HydrophobicContact CG-CG 4.21Å; F22-M118 HydrophobicContact CZ-CE 3.7Å; F22-I120 HydrophobicContact CD1-CD1 3.37Å; F22-I120 HydrophobicContact CE1-CD1 3.41Å; F22-I120 VanDerWaalsContact CE1-CD1 3.41Å |
| 23 | S | 88.4 | Confident | 87.4 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -33 | -175 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | I14 V17 D19 E20 K25 | I14-S23 WeakPolarHBondContact O-CA 3.25Å; V17-S23 WeakPolarHBondContact O-CB 3.35Å; D19-S23 WeakPolarHBondContact O-CB 3.28Å; D19-S23 PolarHBondContact O-N 2.94Å; D19-S23 PolarHBondContact O-OG 2.79Å; E20-S23 WeakPolarHBondContact CA-OG 3.43Å; S23-K25 VanDerWaalsContact C-N 3.26Å; S23-K25 PolarHBondContact O-N 3.35Å |
| 24 | A | 83.4 | Confident | 87.6 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 50% | 0.496 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E20 F22 I26 | E20-A24 WeakPolarHBondContact O-CB 2.84Å; E20-A24 PolarHBondContact O-N 3.32Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.1Å; A24-I26 HydrophobicContact CB-CD1 4.36Å; A24-I26 HydrophobicContact CB-CG1 3.99Å; A24-I26 PolarHBondContact O-N 3.05Å |
| 25 | K | 84.8 | Confident | 87.8 | Confident | 65 Ų | 65 | 49 Ų | 49 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 31 | 177.7 | -55.8 | 176.6 | -179.6 | -175 | 0 | 113.9 | I14 E15 F22 S23 L27 G28 D29 | I14-K25 HydrophobicContact CG2-CD 4.39Å; I14-K25 HydrophobicContact CG2-CG 4.02Å; E15-K25 WeakPolarHBondContact OE1-CE 3.36Å; E15-K25 IonicContact OE1-NZ 2.8Å; E15-K25 PolarHBondContact OE1-NZ 3.32Å; F22-K25 PolarHBondContact O-N 3.25Å; S23-K25 VanDerWaalsContact C-N 3.26Å; S23-K25 PolarHBondContact O-N 3.35Å; K25-L27 PolarHBondContact O-N 3.15Å; K25-G28 WeakPolarHBondContact CA-O 3.31Å; K25-G28 WeakPolarHBondContact CB-O 3.32Å; K25-G28 PolarHBondContact O-N 3.44Å; K25-D29 HydrophobicContact CD-CB 4.1Å; K25-D29 WeakPolarHBondContact CD-OD1 3.49Å; K25-D29 WeakPolarHBondContact CE-OD1 3.36Å; K25-D29 VanDerWaalsContact NZ-CG 3.26Å; K25-D29 IonicContact NZ-OD1 3.41Å; K25-D29 PolarHBondContact NZ-OD1 2.61Å; K25-D29 IonicContact NZ-OD2 2.89Å; K25-D29 PolarHBondContact NZ-OD2 2.87Å |
| 26 | I | 76.8 | Confident | 87.8 | Confident | 119 Ų | 119 | 48.2 Ų | 48.2 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -37.9 | -177.4 | -59.4 | -176.4 | 0 | 0 | 0 | 110.5 | V21 A24 | V21-I26 HydrophobicContact CG1-CB 4.36Å; V21-I26 PolarHBondContact O-N 3.08Å; V21-I26 VanDerWaalsContact O-N 3.08Å; A24-I26 HydrophobicContact CB-CD1 4.36Å; A24-I26 HydrophobicContact CB-CG1 3.99Å; A24-I26 PolarHBondContact O-N 3.05Å |
| 27 | L | 76.6 | Confident | 87.9 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 40% | 0.398 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -4.2 | 177.2 | -67.8 | 174.1 | 0 | 0 | 0 | 114.2 | V21 F22 K25 I120 T122 | V21-L27 HydrophobicContact CG1-CD1 3.61Å; V21-L27 HydrophobicContact CG1-CG 3.66Å; F22-L27 HydrophobicContact CD1-CD1 4.4Å; F22-L27 HydrophobicContact CE1-CD1 3.84Å; F22-L27 HydrophobicContact CZ-CD1 4.49Å; K25-L27 PolarHBondContact O-N 3.15Å; L27-I120 HydrophobicContact CB-CG2 4.46Å; L27-T122 WeakPolarHBondContact O-CA 3.28Å |
| 28 | G | 83 | Confident | 88.1 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | trans | 130.8 | 172.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K25 I121 | K25-G28 WeakPolarHBondContact CA-O 3.31Å; K25-G28 WeakPolarHBondContact CB-O 3.32Å; K25-G28 PolarHBondContact O-N 3.44Å; G28-I121 WeakPolarHBondContact CA-O 3.33Å | ||
| 29 | D | 88.8 | Confident | 88.4 | Confident | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 154 | 176.9 | -157.1 | -8.7 | 0 | 0 | 0 | 111.3 | K25 I121 A124 I129 K131 | K25-D29 HydrophobicContact CD-CB 4.1Å; K25-D29 WeakPolarHBondContact CD-OD1 3.49Å; K25-D29 WeakPolarHBondContact CE-OD1 3.36Å; K25-D29 VanDerWaalsContact NZ-CG 3.26Å; K25-D29 IonicContact NZ-OD1 3.41Å; K25-D29 PolarHBondContact NZ-OD1 2.61Å; K25-D29 IonicContact NZ-OD2 2.89Å; K25-D29 PolarHBondContact NZ-OD2 2.87Å; D29-I121 PolarHBondContact O-N 2.7Å; D29-A124 HydrophobicContact CB-CB 4.26Å; D29-I129 HydrophobicContact CB-CD1 4.09Å; D29-K131 VanDerWaalsContact OD1-CE 3.29Å; D29-K131 WeakPolarHBondContact OD1-CE 3.45Å; D29-K131 IonicContact OD1-NZ 3.14Å; D29-K131 PolarHBondContact OD1-NZ 2.85Å |
| 30 | G | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | -156.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I14 V119 K131 | I14-G30 WeakPolarHBondContact CB-O 3.29Å; G30-V119 WeakPolarHBondContact CA-O 3.32Å; G30-K131 VanDerWaalsContact O-CE 3.24Å; G30-K131 WeakPolarHBondContact O-CE 3.3Å; G30-K131 PolarHBondContact O-NZ 3.38Å |
| 31 | V | 92.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 161.2 | 176.1 | -70.4 | 0 | 0 | 0 | 0 | 109.7 | L11 I33 V119 K131 I144 L145 | L11-V31 HydrophobicContact CD1-CB 3.81Å; L11-V31 HydrophobicContact CD1-CG1 4.24Å; L11-V31 HydrophobicContact CD1-CG2 3.84Å; V31-I33 HydrophobicContact CG2-CD1 4.37Å; V31-V119 HydrophobicContact CG2-CB 4.29Å; V31-V119 PolarHBondContact N-O 2.91Å; V31-V119 PolarHBondContact O-N 3.45Å; V31-K131 HydrophobicContact CG1-CB 4.35Å; V31-K131 HydrophobicContact CG1-CD 4Å; V31-K131 HydrophobicContact CG1-CG 4.14Å; V31-I144 HydrophobicContact CG2-CB 4.35Å; V31-I144 HydrophobicContact CG2-CD1 3.77Å; V31-I144 HydrophobicContact CG2-CG1 4.37Å; V31-L145 HydrophobicContact CG1-CD2 3.7Å; V31-L145 HydrophobicContact CG1-CG 4.38Å; V31-L145 HydrophobicContact CG2-CD1 4.12Å; V31-L145 HydrophobicContact CG2-CD2 4.24Å; V31-L145 HydrophobicContact CG2-CG 4Å |
| 32 | A | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 150.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | K12 I14 V17 D116 V117 M118 | K12-A32 HydrophobicContact CB-CB 4.13Å; K12-A32 PolarHBondContact N-O 3.18Å; K12-A32 PolarHBondContact O-N 3.12Å; K12-A32 VanDerWaalsContact O-N 3.16Å; I14-A32 HydrophobicContact CD1-CB 4.45Å; V17-A32 HydrophobicContact CG2-CB 3.46Å; V17-A32 VanDerWaalsContact CG2-CB 3.46Å; A32-D116 HydrophobicContact CB-CB 4.36Å; A32-V117 CarbonylContact C-O 3.51Å; A32-V117 WeakPolarHBondContact CA-O 3.23Å; A32-M118 HydrophobicContact CB-CG 4.36Å |
| 33 | I | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.4 | 175.5 | -55.8 | 94.5 | 0 | 0 | 0 | 109 | P6 V7 E10 L11 V31 P35 D116 V117 V119 V138 I144 | P6-I33 HydrophobicContact CG-CD1 4.33Å; V7-I33 HydrophobicContact CG1-CB 3.98Å; V7-I33 HydrophobicContact CG1-CG2 3.68Å; E10-I33 CarbonylContact O-C 3.46Å; E10-I33 WeakPolarHBondContact O-CA 3.35Å; L11-I33 HydrophobicContact CD1-CD1 4.46Å; L11-I33 HydrophobicContact CD1-CG1 3.89Å; V31-I33 HydrophobicContact CG2-CD1 4.37Å; I33-P35 VanDerWaalsContact O-CD 3.32Å; I33-P35 WeakPolarHBondContact O-CD 3.2Å; I33-D116 WeakPolarHBondContact O-CA 3.34Å; I33-V117 PolarHBondContact N-O 3.34Å; I33-V117 PolarHBondContact O-N 3.46Å; I33-V119 HydrophobicContact CD1-CG2 3.63Å; I33-V138 HydrophobicContact CG2-CG2 4.12Å; I33-I144 HydrophobicContact CD1-CD1 3.96Å |
| 34 | S | 93.2 | Very high | 90.6 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 16% | 0.161 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 113.9 | 167.1 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | G9 E10 K12 D116 | G9-S34 CarbonylContact C-O 3.55Å; G9-S34 WeakPolarHBondContact CA-O 3.23Å; E10-S34 PolarHBondContact N-O 3.26Å; E10-S34 PolarHBondContact O-N 2.87Å; K12-S34 WeakPolarHBondContact CE-OG 3.43Å; K12-S34 PolarHBondContact NZ-OG 2.92Å; S34-D116 WeakPolarHBondContact CA-OD1 3.32Å; S34-D116 WeakPolarHBondContact CB-OD1 3.32Å; S34-D116 PolarHBondContact OG-OD1 2.9Å |
| 35 | P | 94.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 7% | 0.071 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147 | -172.5 | 32.2 | -38.5 | 0 | 0 | 0 | 112 | V7 I33 M103 Y105 T115 | V7-P35 HydrophobicContact CG1-CB 4.26Å; V7-P35 HydrophobicContact CG2-CB 3.77Å; I33-P35 VanDerWaalsContact O-CD 3.32Å; I33-P35 WeakPolarHBondContact O-CD 3.2Å; P35-M103 HydrophobicContact CB-CE 4.27Å; P35-M103 HydrophobicContact CG-CE 3.62Å; P35-Y105 HydrophobicContact CB-CD1 4.41Å; P35-Y105 HydrophobicContact CB-CG 4.48Å; P35-Y105 HydrophobicContact CG-CD1 4.46Å; P35-Y105 HydrophobicContact CG-CG 4.04Å; P35-T115 WeakPolarHBondContact CD-O 3.43Å; P35-T115 VanDerWaalsContact CG-O 3.27Å; P35-T115 WeakPolarHBondContact CG-O 3.14Å |
| 36 | M | 91.3 | Very high | 91.6 | Very high | 80 Ų | 80 | 33.8 Ų | 33.8 | 39% | 0.394 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -117.3 | -8.7 | 168 | -66.5 | -177.2 | -175 | 0 | 0 | 111.8 | T8 E10 Y105 | T8-M36 PolarHBondContact O-N 2.9Å; E10-M36 HydrophobicContact CB-CE 4.49Å; M36-Y105 PolarHBondContact O-OH 3.49Å |
| 37 | E | 91.9 | Very high | 92.6 | Very high | 87 Ų | 87 | 31.3 Ų | 31.3 | 41% | 0.407 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -129.7 | 156.1 | 179 | -69 | 179.4 | 165.4 | 0 | 0 | 109.7 | V7 T8 R39 | V7-E37 WeakPolarHBondContact CG2-O 3.34Å; T8-E37 WeakPolarHBondContact CB-OE2 3.17Å; T8-E37 HydrophobicContact CG2-CG 4.48Å; T8-E37 PolarHBondContact OG1-OE2 3.06Å; E37-R39 VanDerWaalsContact C-N 3.34Å |
| 38 | Q | 92.8 | Very high | 93.5 | Very high | 93 Ų | 93 | 27.7 Ų | 27.7 | 44% | 0.435 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -84.5 | -10.1 | -176.7 | -65.3 | -178.2 | -10.7 | 0 | 0 | 113.4 | E102 M103 D104 Y105 | Q38-E102 CarbonylContact O-C 3.34Å; Q38-E102 WeakPolarHBondContact O-CA 3.46Å; Q38-M103 VanDerWaalsContact CA-O 3.22Å; Q38-M103 WeakPolarHBondContact CA-O 3.4Å; Q38-M103 VanDerWaalsContact CB-O 3.25Å; Q38-M103 WeakPolarHBondContact CB-O 3.34Å; Q38-M103 WeakPolarHBondContact CG-O 3.46Å; Q38-M103 PolarHBondContact O-N 2.75Å; Q38-D104 PolarHBondContact NE2-OD1 3.43Å; Q38-Y105 HydrophobicContact CG-CD1 4.05Å; Q38-Y105 HydrophobicContact CG-CE1 4.05Å |
| 39 | R | 95 | Very high | 94 | Very high | 110 Ų | 110 | 29.4 Ų | 29.4 | 42% | 0.415 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.6 | -172.4 | -65.1 | 172.9 | 62.7 | 83.4 | 1.2 | 109.5 | E37 L99 | E37-R39 VanDerWaalsContact C-N 3.34Å; R39-L99 HydrophobicContact CB-CD1 3.9Å; R39-L99 HydrophobicContact CG-CD1 4.16Å |
| 40 | I | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117 | 172.1 | -49.1 | -55.7 | 0 | 0 | 0 | 107.8 | P6 V7 L70 L72 L100 V101 M103 V117 | P6-I40 HydrophobicContact CB-CG2 4.15Å; P6-I40 CarbonylContact O-C 3.55Å; P6-I40 WeakPolarHBondContact O-CA 3.43Å; V7-I40 HydrophobicContact CB-CD1 3.79Å; V7-I40 HydrophobicContact CG1-CD1 4.44Å; V7-I40 HydrophobicContact CG2-CD1 3.84Å; I40-L70 HydrophobicContact CG2-CD1 4.47Å; I40-L72 HydrophobicContact CD1-CD2 4.45Å; I40-L72 HydrophobicContact CG1-CD1 4.22Å; I40-L72 HydrophobicContact CG1-CD2 4.13Å; I40-L72 HydrophobicContact CG2-CD2 3.96Å; I40-L100 WeakPolarHBondContact O-CA 3.19Å; I40-L100 WeakPolarHBondContact O-CB 3.48Å; I40-L100 PolarHBondContact O-N 3.03Å; I40-V101 HydrophobicContact CB-CB 4.18Å; I40-V101 WeakPolarHBondContact CB-O 3.46Å; I40-V101 HydrophobicContact CG1-CB 4.4Å; I40-V101 PolarHBondContact N-O 3Å; I40-V101 PolarHBondContact O-N 3.49Å; I40-V101 VanDerWaalsContact O-N 3.17Å; I40-M103 HydrophobicContact CD1-CB 4.39Å; I40-M103 HydrophobicContact CD1-SD 4.39Å; I40-M103 HydrophobicContact CG1-CB 4Å; I40-V117 HydrophobicContact CD1-CG2 3.88Å |
| 41 | T | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 162.8 | -175.8 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | P6 G97 D98 E140 | P6-T41 WeakPolarHBondContact CA-O 3.36Å; P6-T41 WeakPolarHBondContact CB-O 3.31Å; P6-T41 PolarHBondContact O-N 2.85Å; P6-T41 PolarHBondContact O-OG1 3.24Å; T41-G97 WeakPolarHBondContact CG2-O 3.35Å; T41-D98 CarbonylContact C-O 3.58Å; T41-D98 WeakPolarHBondContact CA-O 3.37Å; T41-E140 HydrophobicContact CG2-CG 4.45Å; T41-E140 WeakPolarHBondContact CG2-OE1 3.37Å |
| 42 | A | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | trans | -69.6 | 125.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V44 V94 H95 A96 G97 D98 L100 | A42-V44 VanDerWaalsContact C-N 3.25Å; A42-V44 PolarHBondContact O-N 2.94Å; A42-V94 HydrophobicContact CB-CB 4.23Å; A42-V94 HydrophobicContact CB-CG2 3.84Å; A42-H95 WeakPolarHBondContact CB-O 3.36Å; A42-A96 CarbonylContact O-C 3.31Å; A42-A96 VanDerWaalsContact O-CA 3.31Å; A42-A96 WeakPolarHBondContact O-CA 3.32Å; A42-G97 PolarHBondContact O-N 3.42Å; A42-D98 PolarHBondContact N-O 3.11Å; A42-L100 HydrophobicContact CB-CD1 4.01Å; A42-L100 HydrophobicContact CB-CD2 4.07Å; A42-L100 HydrophobicContact CB-CG 4.09Å | ||
| 43 | P | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -73.7 | -18.7 | -178.6 | 30 | -36.7 | 0 | 0 | 0 | 113 | L3 L4 L60 L70 | L3-P43 HydrophobicContact CB-CB 4.24Å; L3-P43 HydrophobicContact CG-CB 4.46Å; L4-P43 PolarHBondContact N-O 2.95Å; L4-P43 WeakPolarHBondContact O-CB 3.15Å; P43-L60 HydrophobicContact CG-CD1 4.23Å; P43-L70 HydrophobicContact CG-CD2 4.36Å |
| 44 | V | 94.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -157.5 | 163.1 | -176.7 | 68.1 | 0 | 0 | 0 | 0 | 109.4 | M1 A42 A46 T62 I68 | M1-V44 HydrophobicContact CE-CG2 4.28Å; M1-V44 HydrophobicContact CG-CG2 4.3Å; M1-V44 HydrophobicContact SD-CG2 4.15Å; A42-V44 VanDerWaalsContact C-N 3.25Å; A42-V44 PolarHBondContact O-N 2.94Å; V44-A46 HydrophobicContact CG1-CB 4.4Å; V44-A46 PolarHBondContact O-N 3.13Å; V44-T62 HydrophobicContact CG1-CG2 3.64Å; V44-T62 HydrophobicContact CG2-CG2 4.44Å; V44-I68 HydrophobicContact CG1-CD1 3.43Å; V44-I68 VanDerWaalsContact CG1-CD1 3.43Å |
| 45 | A | 93.8 | Very high | 93.1 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -69.3 | 122.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | W93 V94 | A45-W93 HydrophobicContact CB-CZ2 4.38Å; A45-V94 CarbonylContact C-O 3.37Å; A45-V94 WeakPolarHBondContact CA-O 3.37Å |
| 46 | A | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 164.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V44 L60 R61 T62 V94 | V44-A46 HydrophobicContact CG1-CB 4.4Å; V44-A46 PolarHBondContact O-N 3.13Å; A46-L60 HydrophobicContact CB-CB 3.92Å; A46-R61 WeakPolarHBondContact CA-O 3.17Å; A46-R61 WeakPolarHBondContact CB-O 3.47Å; A46-T62 HydrophobicContact CB-CG2 4.34Å; A46-V94 PolarHBondContact N-O 3.32Å; A46-V94 VanDerWaalsContact O-CG2 3.31Å; A46-V94 WeakPolarHBondContact O-CG2 3.43Å; A46-V94 PolarHBondContact O-N 3Å |
| 47 | E | 96.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 38 Ų | 38 | 32% | 0.318 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.3 | 165.4 | -177.1 | 176.2 | -167.8 | 0 | 0 | 109.8 | T49 L60 R61 W93 | E47-T49 PolarHBondContact O-N 2.63Å; E47-L60 CarbonylContact O-C 3.56Å; E47-L60 VanDerWaalsContact O-CA 3.3Å; E47-L60 WeakPolarHBondContact O-CA 3.39Å; E47-R61 PolarHBondContact N-O 3.48Å; E47-R61 PolarHBondContact O-N 3.23Å; E47-W93 HydrophobicContact CB-CE3 3.78Å; E47-W93 HydrophobicContact CB-CZ3 3.78Å |
| 48 | V | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 106.7 | 171.9 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | V51 I58 G59 L60 V88 V90 N91 Q92 V94 | V48-V51 HydrophobicContact CG1-CG2 3.49Å; V48-V51 VanDerWaalsContact CG1-CG2 3.49Å; V48-I58 HydrophobicContact CG1-CG2 4.26Å; V48-G59 CarbonylContact C-O 3.42Å; V48-L60 HydrophobicContact CB-CD2 4.38Å; V48-L60 HydrophobicContact CG2-CD2 3.8Å; V48-V88 HydrophobicContact CG1-CG2 4.42Å; V48-V88 HydrophobicContact CG2-CB 4.33Å; V48-V88 HydrophobicContact CG2-CG2 4.27Å; V48-V90 CarbonylContact O-C 3.55Å; V48-N91 PolarHBondContact O-N 3.46Å; V48-Q92 HydrophobicContact CG2-CB 4.41Å; V48-Q92 WeakPolarHBondContact CG2-O 3.35Å; V48-Q92 PolarHBondContact N-O 2.78Å; V48-V94 HydrophobicContact CG2-CG1 3.95Å; V48-V94 HydrophobicContact CG2-CG2 4.29Å |
| 49 | T | 92.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 29.9 Ų | 29.9 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -26.6 | -177.7 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | E47 G59 R61 V90 | E47-T49 PolarHBondContact O-N 2.63Å; T49-G59 PolarHBondContact N-O 3.44Å; T49-G59 PolarHBondContact OG1-O 3.02Å; T49-R61 HydrophobicContact CG2-CB 3.47Å; T49-R61 VanDerWaalsContact CG2-CB 3.47Å; T49-V90 WeakPolarHBondContact O-CG1 3.48Å |
| 50 | A | 92.2 | Very high | 93.6 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 26% | 0.256 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 138.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F52 I58 G59 | A50-F52 HydrophobicContact CB-CD2 4.44Å; A50-F52 HydrophobicContact CB-CE2 4.04Å; A50-I58 WeakPolarHBondContact O-CA 3.33Å; A50-G59 PolarHBondContact N-O 2.88Å; A50-G59 PolarHBondContact O-N 3Å |
| 51 | V | 93.2 | Very high | 93.5 | Very high | 40 Ų | 40 | 29.9 Ų | 29.9 | 24% | 0.242 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 113 | 166.4 | -177.7 | 0 | 0 | 0 | 0 | 106.2 | V48 V88 V90 | V48-V51 HydrophobicContact CG1-CG2 3.49Å; V48-V51 VanDerWaalsContact CG1-CG2 3.49Å; V51-V88 HydrophobicContact CG2-CG2 4.25Å; V51-V90 HydrophobicContact CB-CG2 4.15Å; V51-V90 HydrophobicContact CG2-CG2 4.05Å |
| 52 | F | 90.2 | Very high | 93.1 | Very high | 85 Ų | 85 | 30.1 Ų | 30.1 | 37% | 0.373 | 17% | 0.172 | S | C | . | . | trans | -73.4 | 142.4 | -176.3 | -74.9 | -110.1 | 0 | 0 | 0 | 110 | A50 T54 G55 H56 A57 L69 | A50-F52 HydrophobicContact CB-CD2 4.44Å; A50-F52 HydrophobicContact CB-CE2 4.04Å; F52-T54 PolarHBondContact O-N 2.97Å; F52-T54 VanDerWaalsContact O-N 3.13Å; F52-G55 PolarHBondContact O-N 2.92Å; F52-H56 AromaticContact CD1-CE1 3.85Å; F52-A57 HydrophobicContact CB-CB 4.39Å; F52-A57 HydrophobicContact CD2-CB 3.62Å; F52-A57 VanDerWaalsContact CD2-O 3.3Å; F52-A57 WeakPolarHBondContact CD2-O 3.42Å; F52-A57 HydrophobicContact CE2-CB 3.98Å; F52-A57 HydrophobicContact CG-CB 3.96Å; F52-A57 PolarHBondContact N-O 3.42Å; F52-L69 HydrophobicContact CE2-CD1 4.48Å | ||
| 53 | P | 84.4 | Confident | 92.3 | Very high | 136 Ų | 136 | 38.1 Ų | 38.1 | 88% | 0.883 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34.7 | -173.2 | -28.7 | 35.4 | 0 | 0 | 0 | 114.8 | G55 | P53-G55 VanDerWaalsContact C-N 3.29Å; P53-G55 PolarHBondContact O-N 2.78Å |
| 54 | T | 89 | Confident | 91.5 | Very high | 19 Ų | 19 | 43 Ų | 43 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.6 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | F52 H56 G81 | F52-T54 PolarHBondContact O-N 2.97Å; F52-T54 VanDerWaalsContact O-N 3.13Å; T54-H56 PolarHBondContact O-N 3.26Å; T54-H56 PolarHBondContact OG1-CE1 3.36Å; T54-H56 PolarHBondContact OG1-ND1 3.22Å; T54-G81 WeakPolarHBondContact O-CA 3.49Å |
| 55 | G | 87.1 | Confident | 90.8 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 72.4 | -6.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | F52 P53 A57 | F52-G55 PolarHBondContact O-N 2.92Å; P53-G55 VanDerWaalsContact C-N 3.29Å; P53-G55 PolarHBondContact O-N 2.78Å; G55-A57 VanDerWaalsContact C-N 3.27Å; G55-A57 PolarHBondContact O-N 3.34Å |
| 56 | H | 92.8 | Very high | 90.3 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -70.1 | -14.3 | -176.9 | 74.8 | -74.6 | 0 | 0 | 0 | 115.1 | F52 T54 H71 L72 T76 F84 | F52-H56 AromaticContact CD1-CE1 3.85Å; T54-H56 PolarHBondContact O-N 3.26Å; T54-H56 PolarHBondContact OG1-CE1 3.36Å; T54-H56 PolarHBondContact OG1-ND1 3.22Å; H56-H71 AromaticContact CD2-CE1 3.77Å; H56-H71 AromaticContact CD2-NE2 3.57Å; H56-H71 AromaticContact NE2-NE2 3.91Å; H56-L72 WeakPolarHBondContact O-CB 3.47Å; H56-L72 WeakPolarHBondContact O-CG 3.06Å; H56-L72 PolarHBondContact O-N 3.15Å; H56-T76 WeakPolarHBondContact CB-OG1 3.3Å; H56-F84 HydrophobicContact CB-CE2 4.39Å; H56-F84 HydrophobicContact CB-CZ 4.35Å |
| 57 | A | 95.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 147.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F52 G55 L69 L70 | F52-A57 HydrophobicContact CB-CB 4.39Å; F52-A57 HydrophobicContact CD2-CB 3.62Å; F52-A57 VanDerWaalsContact CD2-O 3.3Å; F52-A57 WeakPolarHBondContact CD2-O 3.42Å; F52-A57 HydrophobicContact CE2-CB 3.98Å; F52-A57 HydrophobicContact CG-CB 3.96Å; F52-A57 PolarHBondContact N-O 3.42Å; G55-A57 VanDerWaalsContact C-N 3.27Å; G55-A57 PolarHBondContact O-N 3.34Å; A57-L69 HydrophobicContact CB-CD1 4.33Å; A57-L70 CarbonylContact C-O 3.47Å; A57-L70 WeakPolarHBondContact CA-O 3.4Å |
| 58 | I | 95.6 | Very high | 90 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128.9 | 175.2 | -68.2 | -173.7 | 0 | 0 | 0 | 110.1 | V48 A50 L60 L70 V88 L100 V101 | V48-I58 HydrophobicContact CG1-CG2 4.26Å; A50-I58 WeakPolarHBondContact O-CA 3.33Å; I58-L60 HydrophobicContact CG2-CD2 3.76Å; I58-L60 HydrophobicContact CG2-CG 4.1Å; I58-L70 PolarHBondContact N-O 2.98Å; I58-L70 PolarHBondContact O-N 3.49Å; I58-V88 HydrophobicContact CD1-CG2 3.84Å; I58-L100 HydrophobicContact CD1-CB 3.85Å; I58-V101 HydrophobicContact CD1-CG2 3.29Å; I58-V101 HydrophobicContact CG1-CG2 4.12Å |
| 59 | G | 95.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 43 Ų | 43 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V48 T49 A50 I68 | V48-G59 CarbonylContact C-O 3.42Å; T49-G59 PolarHBondContact N-O 3.44Å; T49-G59 PolarHBondContact OG1-O 3.02Å; A50-G59 PolarHBondContact N-O 2.88Å; A50-G59 PolarHBondContact O-N 3Å; G59-I68 CarbonylContact C-O 3.54Å; G59-I68 WeakPolarHBondContact CA-O 3.48Å |
| 60 | L | 96 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.6 | 176.9 | -55.9 | 174 | 0 | 0 | 0 | 110 | P43 A46 E47 V48 I58 E67 I68 L70 V94 L100 | P43-L60 HydrophobicContact CG-CD1 4.23Å; A46-L60 HydrophobicContact CB-CB 3.92Å; E47-L60 CarbonylContact O-C 3.56Å; E47-L60 VanDerWaalsContact O-CA 3.3Å; E47-L60 WeakPolarHBondContact O-CA 3.39Å; V48-L60 HydrophobicContact CB-CD2 4.38Å; V48-L60 HydrophobicContact CG2-CD2 3.8Å; I58-L60 HydrophobicContact CG2-CD2 3.76Å; I58-L60 HydrophobicContact CG2-CG 4.1Å; L60-E67 WeakPolarHBondContact O-CA 3.42Å; L60-I68 HydrophobicContact CB-CB 4.24Å; L60-I68 PolarHBondContact N-O 3.07Å; L60-I68 PolarHBondContact O-N 3.49Å; L60-L70 HydrophobicContact CD1-CD1 4.05Å; L60-L70 HydrophobicContact CD1-CG 4.45Å; L60-V94 HydrophobicContact CD2-CG2 4.26Å; L60-L100 HydrophobicContact CD1-CD1 4.19Å; L60-L100 HydrophobicContact CD2-CD1 4.5Å |
| 61 | R | 93.7 | Very high | 90.3 | Very high | 109 Ų | 109 | 40.5 Ų | 40.5 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.9 | 172.2 | -173.9 | -178.2 | -66 | 158.7 | 0.7 | 111.2 | A46 E47 T49 V66 E67 | A46-R61 WeakPolarHBondContact CA-O 3.17Å; A46-R61 WeakPolarHBondContact CB-O 3.47Å; E47-R61 PolarHBondContact N-O 3.48Å; E47-R61 PolarHBondContact O-N 3.23Å; T49-R61 HydrophobicContact CG2-CB 3.47Å; T49-R61 VanDerWaalsContact CG2-CB 3.47Å; R61-V66 WeakPolarHBondContact CA-O 3.36Å; R61-E67 HydrophobicContact CG-CG 4.24Å; R61-E67 IonicContact CZ-OE1 3.35Å; R61-E67 IonicContact NE-OE1 3.27Å; R61-E67 PolarHBondContact NE-OE1 2.89Å; R61-E67 IonicContact NH2-OE1 3.75Å; R61-E67 PolarHBondContact NH2-OE1 3.31Å |
| 62 | T | 89.5 | Confident | 90.5 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | trans | -77.7 | 165.1 | 178.1 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | M1 V44 A46 D64 G65 V66 I68 | M1-T62 HydrophobicContact CE-CG2 4.09Å; M1-T62 HydrophobicContact SD-CG2 3.93Å; V44-T62 HydrophobicContact CG1-CG2 3.64Å; V44-T62 HydrophobicContact CG2-CG2 4.44Å; A46-T62 HydrophobicContact CB-CG2 4.34Å; T62-D64 PolarHBondContact O-N 3.15Å; T62-D64 PolarHBondContact OG1-N 3.35Å; T62-G65 PolarHBondContact O-N 2.92Å; T62-V66 HydrophobicContact CG2-CB 4.01Å; T62-V66 PolarHBondContact N-O 3.3Å; T62-V66 WeakPolarHBondContact OG1-CB 3.21Å; T62-V66 PolarHBondContact OG1-N 3.45Å; T62-V66 VanDerWaalsContact OG1-N 3.09Å; T62-I68 HydrophobicContact CG2-CD1 4.07Å | ||
| 63 | K | 79 | Confident | 90.6 | Very high | 169 Ų | 169 | 34.6 Ų | 34.6 | 74% | 0.735 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.8 | 174.5 | -64.2 | -164.3 | 176.7 | 175.6 | 0 | 112.9 | G65 W93 | K63-G65 PolarHBondContact O-N 3.45Å; K63-W93 HydrophobicContact CD-CH2 4.12Å; K63-W93 HydrophobicContact CD-CZ2 4.24Å; K63-W93 VanDerWaalsContact CE-CZ2 3.48Å; K63-W93 HydrophobicContact CG-CH2 3.3Å; K63-W93 HydrophobicContact CG-CZ2 3.82Å; K63-W93 HydrophobicContact CG-CZ3 4.2Å |
| 64 | D | 78.5 | Confident | 90.9 | Very high | 103 Ų | 103 | 28.7 Ų | 28.7 | 55% | 0.551 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 8 | 179.2 | -52.1 | -60.5 | 0 | 0 | 0 | 112.5 | M1 T62 L149 | M1-D64 HydrophobicContact CE-CB 4.43Å; M1-D64 WeakPolarHBondContact CE-OD2 2.91Å; T62-D64 PolarHBondContact O-N 3.15Å; T62-D64 PolarHBondContact OG1-N 3.35Å; D64-L149 HydrophobicContact CB-CD1 3.73Å; D64-L149 HydrophobicContact CB-CD2 4.36Å |
| 65 | G | 80 | Confident | 91.1 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 34% | 0.34 | 16% | 0.164 | S | C | . | . | trans | 80.1 | 13.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T62 K63 N123 | T62-G65 PolarHBondContact O-N 2.92Å; K63-G65 PolarHBondContact O-N 3.45Å; G65-N123 PolarHBondContact O-ND2 3.47Å | ||
| 66 | V | 83.3 | Confident | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -74.9 | 127.3 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | M1 R61 T62 I68 I121 I147 L149 | M1-V66 HydrophobicContact SD-CG2 4.22Å; R61-V66 WeakPolarHBondContact CA-O 3.36Å; T62-V66 HydrophobicContact CG2-CB 4.01Å; T62-V66 PolarHBondContact N-O 3.3Å; T62-V66 WeakPolarHBondContact OG1-CB 3.21Å; T62-V66 PolarHBondContact OG1-N 3.45Å; T62-V66 VanDerWaalsContact OG1-N 3.09Å; V66-I68 HydrophobicContact CG1-CG1 3.99Å; V66-I121 HydrophobicContact CG1-CD1 4.14Å; V66-I121 HydrophobicContact CG1-CG2 3.96Å; V66-I147 HydrophobicContact CG1-CD1 3.61Å; V66-I147 HydrophobicContact CG2-CD1 4.47Å; V66-L149 HydrophobicContact CG2-CD2 3.62Å | ||
| 67 | E | 90.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 34.5 Ų | 34.5 | 29% | 0.29 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.2 | 179.6 | -62.1 | -168 | 150.3 | 0 | 0 | 110.4 | L60 R61 I121 T122 N123 | L60-E67 WeakPolarHBondContact O-CA 3.42Å; R61-E67 HydrophobicContact CG-CG 4.24Å; R61-E67 IonicContact CZ-OE1 3.35Å; R61-E67 IonicContact NE-OE1 3.27Å; R61-E67 PolarHBondContact NE-OE1 2.89Å; R61-E67 IonicContact NH2-OE1 3.75Å; R61-E67 PolarHBondContact NH2-OE1 3.31Å; E67-I121 WeakPolarHBondContact O-CA 3.5Å; E67-T122 WeakPolarHBondContact CB-OG1 3.32Å; E67-T122 PolarHBondContact O-N 3.21Å; E67-T122 PolarHBondContact O-OG1 2.97Å; E67-N123 HydrophobicContact CB-CB 4.47Å; E67-N123 PolarHBondContact N-OD1 3.11Å |
| 68 | I | 94.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.9 | -173.6 | -51.8 | 163.4 | 0 | 0 | 0 | 108.5 | L3 V44 G59 L60 T62 V66 L70 V119 I120 I121 | L3-I68 HydrophobicContact CD2-CD1 3.7Å; L3-I68 HydrophobicContact CD2-CG1 4.11Å; L3-I68 HydrophobicContact CD2-CG2 4.34Å; L3-I68 HydrophobicContact CG-CD1 4.19Å; V44-I68 HydrophobicContact CG1-CD1 3.43Å; V44-I68 VanDerWaalsContact CG1-CD1 3.43Å; G59-I68 CarbonylContact C-O 3.54Å; G59-I68 WeakPolarHBondContact CA-O 3.48Å; L60-I68 HydrophobicContact CB-CB 4.24Å; L60-I68 PolarHBondContact N-O 3.07Å; L60-I68 PolarHBondContact O-N 3.49Å; T62-I68 HydrophobicContact CG2-CD1 4.07Å; V66-I68 HydrophobicContact CG1-CG1 3.99Å; I68-L70 HydrophobicContact CG2-CD2 4.34Å; I68-V119 HydrophobicContact CG2-CG1 4.1Å; I68-I120 CarbonylContact C-O 3.34Å; I68-I120 VanDerWaalsContact CA-O 3.31Å; I68-I120 WeakPolarHBondContact CA-O 3.35Å; I68-I121 HydrophobicContact CG1-CD1 3.86Å; I68-I121 HydrophobicContact CG2-CD1 4.48Å |
| 69 | L | 96.1 | Very high | 90.6 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.7 | 168.9 | 179.7 | 66.2 | 0 | 0 | 0 | 108.8 | F52 A57 I120 T122 | F52-L69 HydrophobicContact CE2-CD1 4.48Å; A57-L69 HydrophobicContact CB-CD1 4.33Å; L69-I120 HydrophobicContact CB-CB 4.37Å; L69-I120 HydrophobicContact CD2-CD1 4.47Å; L69-I120 PolarHBondContact N-O 3.14Å; L69-I120 PolarHBondContact O-N 3.21Å; L69-T122 HydrophobicContact CB-CG2 3.65Å; L69-T122 HydrophobicContact CD2-CG2 4.44Å |
| 70 | L | 96.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 112.7 | 166.4 | -61 | -179.9 | 0 | 0 | 0 | 107.7 | P6 I40 P43 A57 I58 L60 I68 L100 M118 V119 | P6-L70 HydrophobicContact CB-CD1 4.49Å; P6-L70 HydrophobicContact CB-CD2 4.33Å; P6-L70 HydrophobicContact CG-CD2 4.22Å; I40-L70 HydrophobicContact CG2-CD1 4.47Å; P43-L70 HydrophobicContact CG-CD2 4.36Å; A57-L70 CarbonylContact C-O 3.47Å; A57-L70 WeakPolarHBondContact CA-O 3.4Å; I58-L70 PolarHBondContact N-O 2.98Å; I58-L70 PolarHBondContact O-N 3.49Å; L60-L70 HydrophobicContact CD1-CD1 4.05Å; L60-L70 HydrophobicContact CD1-CG 4.45Å; I68-L70 HydrophobicContact CG2-CD2 4.34Å; L70-L100 HydrophobicContact CD1-CD1 3.55Å; L70-M118 WeakPolarHBondContact CA-O 3.48Å; L70-V119 HydrophobicContact CD2-CB 4.27Å; L70-V119 HydrophobicContact CD2-CG1 4.05Å; L70-V119 HydrophobicContact CD2-CG2 3.8Å |
| 71 | H | 96.6 | Very high | 89.9 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.4 | 176.7 | -162.6 | -68.1 | 0 | 0 | 0 | 109 | F22 H56 G73 M118 | F22-H71 HydrophobicContact CE1-CB 4.25Å; F22-H71 HydrophobicContact CZ-CB 4.19Å; F22-H71 AromaticContact CZ-CD2 3.7Å; F22-H71 AromaticContact CZ-CE1 3.91Å; F22-H71 AromaticContact CZ-CG 3.64Å; F22-H71 AromaticContact CZ-ND1 3.78Å; F22-H71 AromaticContact CZ-NE2 3.88Å; H56-H71 AromaticContact CD2-CE1 3.77Å; H56-H71 AromaticContact CD2-NE2 3.57Å; H56-H71 AromaticContact NE2-NE2 3.91Å; H71-G73 PolarHBondContact CE1-O 3.38Å; H71-G73 PolarHBondContact ND1-O 3.07Å; H71-M118 HydrophobicContact CB-CB 4.29Å; H71-M118 HydrophobicContact CB-CE 3.86Å; H71-M118 PolarHBondContact N-O 3.16Å; H71-M118 WeakPolarHBondContact ND1-CE 3.34Å; H71-M118 PolarHBondContact O-N 3.47Å |
| 72 | L | 95.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 88.2 | -166.2 | -52.3 | -173.8 | 0 | 0 | 0 | 110.4 | I40 H56 T76 F84 V101 M103 V117 | I40-L72 HydrophobicContact CD1-CD2 4.45Å; I40-L72 HydrophobicContact CG1-CD1 4.22Å; I40-L72 HydrophobicContact CG1-CD2 4.13Å; I40-L72 HydrophobicContact CG2-CD2 3.96Å; H56-L72 WeakPolarHBondContact O-CB 3.47Å; H56-L72 WeakPolarHBondContact O-CG 3.06Å; H56-L72 PolarHBondContact O-N 3.15Å; L72-T76 WeakPolarHBondContact O-CB 3.19Å; L72-T76 WeakPolarHBondContact O-CG2 3.42Å; L72-T76 PolarHBondContact O-OG1 3.13Å; L72-F84 HydrophobicContact CB-CD1 4.46Å; L72-F84 HydrophobicContact CB-CE1 3.68Å; L72-F84 HydrophobicContact CB-CZ 4.42Å; L72-F84 HydrophobicContact CD1-CD1 4.01Å; L72-F84 HydrophobicContact CD1-CE1 4.05Å; L72-V101 HydrophobicContact CD1-CB 3.96Å; L72-V101 HydrophobicContact CD1-CG1 3.8Å; L72-V101 HydrophobicContact CD1-CG2 4.07Å; L72-M103 HydrophobicContact CB-SD 3.7Å; L72-M103 HydrophobicContact CD1-SD 4.33Å; L72-M103 HydrophobicContact CG-SD 4.39Å; L72-V117 HydrophobicContact CD2-CB 4.48Å; L72-V117 HydrophobicContact CD2-CG1 3.78Å; L72-V117 HydrophobicContact CD2-CG2 4.1Å |
| 73 | G | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 82.1 | 164.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | H71 D114 D116 M118 | H71-G73 PolarHBondContact CE1-O 3.38Å; H71-G73 PolarHBondContact ND1-O 3.07Å; G73-D114 WeakPolarHBondContact CA-O 3.48Å; G73-D116 VanDerWaalsContact CA-O 3.24Å; G73-D116 WeakPolarHBondContact CA-O 3.44Å; G73-D116 PolarHBondContact N-O 3.15Å; G73-M118 WeakPolarHBondContact O-CE 3.4Å |
| 74 | V | 91.8 | Very high | 90.7 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -92.9 | 137.9 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 109 | V17 D19 F22 T76 D114 M118 | V17-V74 HydrophobicContact CG1-CG2 3.89Å; D19-V74 HydrophobicContact CB-CG1 3.8Å; D19-V74 HydrophobicContact CB-CG2 4.06Å; F22-V74 HydrophobicContact CD2-CG2 4.26Å; F22-V74 HydrophobicContact CE2-CG2 4.33Å; V74-T76 PolarHBondContact O-N 3.06Å; V74-D114 HydrophobicContact CB-CB 3.95Å; V74-D114 HydrophobicContact CG2-CB 4.09Å; V74-D114 PolarHBondContact N-O 3.33Å; V74-M118 HydrophobicContact CG2-CE 4.18Å |
| 75 | D | 91.7 | Very high | 91.4 | Very high | 91 Ų | 91 | 46.7 Ų | 46.7 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 56.2 | 11.8 | -180 | -61.5 | -31 | 0 | 0 | 0 | 116.1 | V77 E78 Y113 | D75-V77 PolarHBondContact O-N 3.26Å; D75-E78 WeakPolarHBondContact O-CB 3.46Å; D75-E78 WeakPolarHBondContact O-CG 3.46Å; D75-E78 PolarHBondContact O-N 3.32Å; D75-Y113 HydrophobicContact CB-CD1 4.17Å; D75-Y113 HydrophobicContact CB-CE1 4.12Å; D75-Y113 WeakPolarHBondContact O-CE1 3.49Å |
| 76 | T | 91.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -67.1 | -9.1 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | H56 L72 V74 E78 L79 F84 I108 | H56-T76 WeakPolarHBondContact CB-OG1 3.3Å; L72-T76 WeakPolarHBondContact O-CB 3.19Å; L72-T76 WeakPolarHBondContact O-CG2 3.42Å; L72-T76 PolarHBondContact O-OG1 3.13Å; V74-T76 PolarHBondContact O-N 3.06Å; T76-E78 PolarHBondContact O-N 3.4Å; T76-L79 HydrophobicContact CG2-CD1 4.09Å; T76-L79 WeakPolarHBondContact O-CB 3.1Å; T76-L79 PolarHBondContact O-N 2.89Å; T76-L79 VanDerWaalsContact O-N 3.11Å; T76-F84 HydrophobicContact CG2-CZ 4.15Å; T76-I108 HydrophobicContact CG2-CG2 3.88Å |
| 77 | V | 91.6 | Very high | 92.7 | Very high | 72 Ų | 72 | 51.2 Ų | 51.2 | 44% | 0.436 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -57.2 | -29.8 | 167.5 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | D75 L79 D80 | D75-V77 PolarHBondContact O-N 3.26Å; V77-L79 PolarHBondContact O-N 3.48Å; V77-D80 PolarHBondContact O-N 2.88Å |
| 78 | E | 89.7 | Confident | 92.9 | Very high | 128 Ų | 128 | 48.8 Ų | 48.8 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -69.4 | -15.8 | 178.3 | -62.4 | -172 | 163 | 0 | 0 | 113.7 | D75 T76 D80 Y113 | D75-E78 WeakPolarHBondContact O-CB 3.46Å; D75-E78 WeakPolarHBondContact O-CG 3.46Å; D75-E78 PolarHBondContact O-N 3.32Å; T76-E78 PolarHBondContact O-N 3.4Å; E78-D80 PolarHBondContact O-N 2.85Å; E78-Y113 HydrophobicContact CB-CE1 4.05Å; E78-Y113 WeakPolarHBondContact CB-OH 3.32Å; E78-Y113 PolarHBondContact OE2-OH 3.22Å |
| 79 | L | 89.5 | Confident | 92.8 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -74.2 | -6.9 | 175 | -65.7 | 168.3 | 0 | 0 | 0 | 112.9 | T76 V77 G81 K82 F83 F84 I108 A111 Y113 | T76-L79 HydrophobicContact CG2-CD1 4.09Å; T76-L79 WeakPolarHBondContact O-CB 3.1Å; T76-L79 PolarHBondContact O-N 2.89Å; T76-L79 VanDerWaalsContact O-N 3.11Å; V77-L79 PolarHBondContact O-N 3.48Å; L79-G81 VanDerWaalsContact C-N 3.3Å; L79-G81 PolarHBondContact O-N 3.1Å; L79-K82 HydrophobicContact CB-CB 4.45Å; L79-K82 VanDerWaalsContact O-CB 3.28Å; L79-K82 WeakPolarHBondContact O-CB 3.38Å; L79-K82 VanDerWaalsContact O-CG 3.31Å; L79-K82 WeakPolarHBondContact O-CG 3.34Å; L79-K82 PolarHBondContact O-N 3.37Å; L79-F83 HydrophobicContact CD1-CD2 4.21Å; L79-F83 HydrophobicContact CD2-CD2 4.3Å; L79-F83 HydrophobicContact CD2-CE2 4.15Å; L79-F84 HydrophobicContact CD1-CE2 4.09Å; L79-I108 HydrophobicContact CD1-CB 4.46Å; L79-I108 HydrophobicContact CD1-CG1 3.97Å; L79-I108 HydrophobicContact CD1-CG2 4.11Å; L79-A111 HydrophobicContact CD2-CB 4.01Å; L79-Y113 HydrophobicContact CD1-CD2 4.21Å; L79-Y113 HydrophobicContact CD1-CG 4.4Å; L79-Y113 HydrophobicContact CD2-CD2 3.77Å; L79-Y113 HydrophobicContact CD2-CE2 3.59Å; L79-Y113 HydrophobicContact CG-CD2 4.07Å; L79-Y113 HydrophobicContact CG-CE2 4.04Å |
| 80 | D | 88.5 | Confident | 92.6 | Very high | 133 Ų | 133 | 58.3 Ų | 58.3 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 44.4 | 175.2 | -163.6 | 32.1 | 0 | 0 | 0 | 113.2 | V77 E78 K82 | V77-D80 PolarHBondContact O-N 2.88Å; E78-D80 PolarHBondContact O-N 2.85Å; D80-K82 VanDerWaalsContact C-N 3.33Å; D80-K82 PolarHBondContact O-N 3.25Å |
| 81 | G | 87.1 | Confident | 92.1 | Very high | 27 Ų | 27 | 64 Ų | 64 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -4.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T54 L79 | T54-G81 WeakPolarHBondContact O-CA 3.49Å; L79-G81 VanDerWaalsContact C-N 3.3Å; L79-G81 PolarHBondContact O-N 3.1Å |
| 82 | K | 89.3 | Confident | 91.9 | Very high | 141 Ų | 141 | 66.3 Ų | 66.3 | 61% | 0.613 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 138.7 | 173.9 | -65.9 | 175.4 | -175.9 | 172.1 | 0 | 110.2 | L79 D80 F84 | L79-K82 HydrophobicContact CB-CB 4.45Å; L79-K82 VanDerWaalsContact O-CB 3.28Å; L79-K82 WeakPolarHBondContact O-CB 3.38Å; L79-K82 VanDerWaalsContact O-CG 3.31Å; L79-K82 WeakPolarHBondContact O-CG 3.34Å; L79-K82 PolarHBondContact O-N 3.37Å; D80-K82 VanDerWaalsContact C-N 3.33Å; D80-K82 PolarHBondContact O-N 3.25Å; K82-F84 WeakPolarHBondContact O-CD2 3.46Å; K82-F84 PolarHBondContact O-N 3.13Å |
| 83 | F | 94.6 | Very high | 91.9 | Very high | 77 Ų | 77 | 70.9 Ų | 70.9 | 34% | 0.338 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 3.9 | 177.6 | -42.9 | -55.4 | 0 | 0 | 0 | 116.3 | L79 M103 D104 I108 A111 | L79-F83 HydrophobicContact CD1-CD2 4.21Å; L79-F83 HydrophobicContact CD2-CD2 4.3Å; L79-F83 HydrophobicContact CD2-CE2 4.15Å; F83-M103 WeakPolarHBondContact O-CA 3.15Å; F83-D104 HydrophobicContact CB-CB 4.11Å; F83-D104 PolarHBondContact O-N 2.95Å; F83-I108 HydrophobicContact CB-CD1 4.16Å; F83-I108 HydrophobicContact CB-CG1 3.73Å; F83-I108 HydrophobicContact CD2-CG1 4Å; F83-I108 HydrophobicContact CG-CG1 4.21Å; F83-A111 HydrophobicContact CE2-CB 4.4Å |
| 84 | F | 95.1 | Very high | 92 | Very high | 22 Ų | 22 | 70.9 Ų | 70.9 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.9 | 174.7 | -58.9 | -81.4 | 0 | 0 | 0 | 111 | H56 L72 T76 L79 K82 V101 E102 M103 I108 | H56-F84 HydrophobicContact CB-CE2 4.39Å; H56-F84 HydrophobicContact CB-CZ 4.35Å; L72-F84 HydrophobicContact CB-CD1 4.46Å; L72-F84 HydrophobicContact CB-CE1 3.68Å; L72-F84 HydrophobicContact CB-CZ 4.42Å; L72-F84 HydrophobicContact CD1-CD1 4.01Å; L72-F84 HydrophobicContact CD1-CE1 4.05Å; T76-F84 HydrophobicContact CG2-CZ 4.15Å; L79-F84 HydrophobicContact CD1-CE2 4.09Å; K82-F84 WeakPolarHBondContact O-CD2 3.46Å; K82-F84 PolarHBondContact O-N 3.13Å; F84-V101 HydrophobicContact CB-CG1 4.35Å; F84-V101 HydrophobicContact CD1-CG1 4.24Å; F84-E102 CarbonylContact C-O 3.47Å; F84-E102 WeakPolarHBondContact CA-O 3.41Å; F84-M103 HydrophobicContact CD1-CB 4.22Å; F84-M103 HydrophobicContact CD1-CG 4.02Å; F84-M103 HydrophobicContact CE1-CB 4.31Å; F84-M103 HydrophobicContact CE1-CG 3.64Å; F84-M103 HydrophobicContact CE1-SD 3.87Å; F84-I108 HydrophobicContact CE1-CD1 3.72Å; F84-I108 HydrophobicContact CE2-CD1 4.01Å; F84-I108 HydrophobicContact CZ-CD1 3.4Å; F84-I108 VanDerWaalsContact CZ-CD1 3.4Å; F84-I108 HydrophobicContact CZ-CG1 4.35Å |
| 85 | Q | 94.5 | Very high | 92.1 | Very high | 110 Ų | 110 | 75.8 Ų | 75.8 | 51% | 0.514 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 100.1 | 170.9 | -164.8 | -178.9 | 29 | 0 | 0 | 110.6 | K87 V101 E102 | Q85-K87 VanDerWaalsContact CD-NZ 3.31Å; Q85-V101 WeakPolarHBondContact O-CA 3.33Å; Q85-E102 HydrophobicContact CB-CB 4.37Å; Q85-E102 PolarHBondContact N-O 3.19Å; Q85-E102 PolarHBondContact O-N 3.01Å; Q85-E102 PolarHBondContact OE1-OE2 2.77Å |
| 86 | S | 93.3 | Very high | 92.1 | Very high | 42 Ų | 42 | 73.8 Ų | 73.8 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 139 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | V88 | S86-V88 PolarHBondContact OG-O 3.46Å |
| 87 | K | 96 | Very high | 92.2 | Very high | 87 Ų | 87 | 75.4 Ų | 75.4 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | trans | -112.4 | 3.5 | 177.6 | -53.8 | -65.2 | -176.2 | 173.5 | 0 | 112.6 | Q85 L99 L100 E102 | Q85-K87 VanDerWaalsContact CD-NZ 3.31Å; K87-L99 HydrophobicContact CG-CD2 3.89Å; K87-L99 HydrophobicContact CG-CG 4.08Å; K87-L100 PolarHBondContact N-O 2.94Å; K87-E102 WeakPolarHBondContact CE-OE2 3.2Å; K87-E102 IonicContact NZ-OE1 3.97Å; K87-E102 IonicContact NZ-OE2 2.88Å; K87-E102 PolarHBondContact NZ-OE2 2.77Å | ||
| 88 | V | 95.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 75.1 Ų | 75.1 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | trans | -126.8 | 164.7 | -176 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | V48 V51 I58 S86 Q92 V94 L100 | V48-V88 HydrophobicContact CG1-CG2 4.42Å; V48-V88 HydrophobicContact CG2-CB 4.33Å; V48-V88 HydrophobicContact CG2-CG2 4.27Å; V51-V88 HydrophobicContact CG2-CG2 4.25Å; I58-V88 HydrophobicContact CD1-CG2 3.84Å; S86-V88 PolarHBondContact OG-O 3.46Å; V88-Q92 VanDerWaalsContact CA-OE1 3.28Å; V88-V94 HydrophobicContact CG1-CG1 4.1Å; V88-L100 HydrophobicContact CG1-CD2 3.74Å; V88-L100 HydrophobicContact CG2-CD2 4.19Å | ||
| 89 | K | 92 | Very high | 92.7 | Very high | 163 Ų | 163 | 70.9 Ų | 70.9 | 71% | 0.709 | 37% | 0.366 | S | S | * | . | trans | -126.2 | 156.9 | 176.5 | -60.8 | -180 | -175.9 | 178.5 | 0 | 110.6 | Q92 | K89-Q92 VanDerWaalsContact N-OE1 3.07Å; K89-Q92 WeakPolarHBondContact O-CB 3.26Å; K89-Q92 PolarHBondContact O-N 2.87Å; K89-Q92 VanDerWaalsContact O-N 3.16Å | ||
| 90 | V | 92.1 | Very high | 93.1 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 39% | 0.394 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 142.6 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | V48 T49 V51 Q92 | V48-V90 CarbonylContact O-C 3.55Å; T49-V90 WeakPolarHBondContact O-CG1 3.48Å; V51-V90 HydrophobicContact CB-CG2 4.15Å; V51-V90 HydrophobicContact CG2-CG2 4.05Å; V90-Q92 PolarHBondContact O-N 3.39Å |
| 91 | N | 84.8 | Confident | 93.4 | Very high | 121 Ų | 121 | 63.8 Ų | 63.8 | 65% | 0.647 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 9.3 | -173.1 | -45.5 | -49.1 | 0 | 0 | 0 | 115.2 | V48 | V48-N91 PolarHBondContact O-N 3.46Š|
| 92 | Q | 93.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 65.4 Ų | 65.4 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -77.5 | 132.6 | 172.5 | -177.8 | 177.2 | -21.8 | 0 | 0 | 110.3 | V48 V88 K89 V90 V94 | V48-Q92 HydrophobicContact CG2-CB 4.41Å; V48-Q92 WeakPolarHBondContact CG2-O 3.35Å; V48-Q92 PolarHBondContact N-O 2.78Å; V88-Q92 VanDerWaalsContact CA-OE1 3.28Å; K89-Q92 VanDerWaalsContact N-OE1 3.07Å; K89-Q92 WeakPolarHBondContact O-CB 3.26Å; K89-Q92 PolarHBondContact O-N 2.87Å; K89-Q92 VanDerWaalsContact O-N 3.16Å; V90-Q92 PolarHBondContact O-N 3.39Å; Q92-V94 HydrophobicContact CG-CG1 4.34Å | ||
| 93 | W | 95.5 | Very high | 94.2 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 37% | 0.367 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 131.8 | 168.7 | -166.8 | -92.6 | 0 | 0 | 0 | 110.3 | A45 E47 K63 | A45-W93 HydrophobicContact CB-CZ2 4.38Å; E47-W93 HydrophobicContact CB-CE3 3.78Å; E47-W93 HydrophobicContact CB-CZ3 3.78Å; K63-W93 HydrophobicContact CD-CH2 4.12Å; K63-W93 HydrophobicContact CD-CZ2 4.24Å; K63-W93 VanDerWaalsContact CE-CZ2 3.48Å; K63-W93 HydrophobicContact CG-CH2 3.3Å; K63-W93 HydrophobicContact CG-CZ2 3.82Å; K63-W93 HydrophobicContact CG-CZ3 4.2Å |
| 94 | V | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.1 | 178.8 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | A42 A45 A46 V48 L60 V88 Q92 D98 L100 | A42-V94 HydrophobicContact CB-CB 4.23Å; A42-V94 HydrophobicContact CB-CG2 3.84Å; A45-V94 CarbonylContact C-O 3.37Å; A45-V94 WeakPolarHBondContact CA-O 3.37Å; A46-V94 PolarHBondContact N-O 3.32Å; A46-V94 VanDerWaalsContact O-CG2 3.31Å; A46-V94 WeakPolarHBondContact O-CG2 3.43Å; A46-V94 PolarHBondContact O-N 3Å; V48-V94 HydrophobicContact CG2-CG1 3.95Å; V48-V94 HydrophobicContact CG2-CG2 4.29Å; L60-V94 HydrophobicContact CD2-CG2 4.26Å; V88-V94 HydrophobicContact CG1-CG1 4.1Å; Q92-V94 HydrophobicContact CG-CG1 4.34Å; V94-D98 HydrophobicContact CB-CB 4.3Å; V94-L100 HydrophobicContact CB-CD2 4.37Å; V94-L100 HydrophobicContact CG1-CD2 3.93Å; V94-L100 HydrophobicContact CG2-CD2 4.28Å |
| 95 | H | 93.4 | Very high | 94 | Very high | 114 Ų | 114 | 59 Ų | 59 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | trans | -101.5 | 155.9 | 172.4 | -56.4 | 83.5 | 0 | 0 | 0 | 109.9 | A42 G97 D98 | A42-H95 WeakPolarHBondContact CB-O 3.36Å; H95-G97 PolarHBondContact O-N 3.2Å; H95-D98 IonicContact CG-OD2 3.73Å; H95-D98 PolarHBondContact N-OD2 2.8Å; H95-D98 IonicContact ND1-OD2 3.91Å; H95-D98 PolarHBondContact ND1-OD2 2.88Å; H95-D98 VanDerWaalsContact O-CB 3.26Å; H95-D98 WeakPolarHBondContact O-CB 3.33Å; H95-D98 PolarHBondContact O-N 2.94Å | ||
| 96 | A | 91.9 | Very high | 93.8 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L4 A42 | L4-A96 HydrophobicContact CD1-CB 4.17Å; A42-A96 CarbonylContact O-C 3.31Å; A42-A96 VanDerWaalsContact O-CA 3.31Å; A42-A96 WeakPolarHBondContact O-CA 3.32Å |
| 97 | G | 93 | Very high | 93.8 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -8.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T41 A42 H95 L99 | T41-G97 WeakPolarHBondContact CG2-O 3.35Å; A42-G97 PolarHBondContact O-N 3.42Å; H95-G97 PolarHBondContact O-N 3.2Å; G97-L99 PolarHBondContact O-N 3.28Å |
| 98 | D | 96.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 51.4 Ų | 51.4 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | trans | -65.5 | 135.7 | 173.7 | -73.6 | -14.5 | 0 | 0 | 0 | 110.2 | T41 A42 V94 H95 L100 | T41-D98 CarbonylContact C-O 3.58Å; T41-D98 WeakPolarHBondContact CA-O 3.37Å; A42-D98 PolarHBondContact N-O 3.11Å; V94-D98 HydrophobicContact CB-CB 4.3Å; H95-D98 IonicContact CG-OD2 3.73Å; H95-D98 PolarHBondContact N-OD2 2.8Å; H95-D98 IonicContact ND1-OD2 3.91Å; H95-D98 PolarHBondContact ND1-OD2 2.88Å; H95-D98 VanDerWaalsContact O-CB 3.26Å; H95-D98 WeakPolarHBondContact O-CB 3.33Å; H95-D98 PolarHBondContact O-N 2.94Å; D98-L100 PolarHBondContact O-N 3.37Å | ||
| 99 | L | 96.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123.4 | -179.7 | -178.4 | 66.9 | 0 | 0 | 0 | 111.1 | R39 K87 G97 E102 | R39-L99 HydrophobicContact CB-CD1 3.9Å; R39-L99 HydrophobicContact CG-CD1 4.16Å; K87-L99 HydrophobicContact CG-CD2 3.89Å; K87-L99 HydrophobicContact CG-CG 4.08Å; G97-L99 PolarHBondContact O-N 3.28Å; L99-E102 HydrophobicContact CD1-CG 4.35Å; L99-E102 HydrophobicContact CD2-CG 4.18Å |
| 100 | L | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -51.8 | 179.1 | -59.4 | -177.2 | 0 | 0 | 0 | 112.1 | I40 A42 I58 L60 L70 K87 V88 V94 D98 | I40-L100 WeakPolarHBondContact O-CA 3.19Å; I40-L100 WeakPolarHBondContact O-CB 3.48Å; I40-L100 PolarHBondContact O-N 3.03Å; A42-L100 HydrophobicContact CB-CD1 4.01Å; A42-L100 HydrophobicContact CB-CD2 4.07Å; A42-L100 HydrophobicContact CB-CG 4.09Å; I58-L100 HydrophobicContact CD1-CB 3.85Å; L60-L100 HydrophobicContact CD1-CD1 4.19Å; L60-L100 HydrophobicContact CD2-CD1 4.5Å; L70-L100 HydrophobicContact CD1-CD1 3.55Å; K87-L100 PolarHBondContact N-O 2.94Å; V88-L100 HydrophobicContact CG1-CD2 3.74Å; V88-L100 HydrophobicContact CG2-CD2 4.19Å; V94-L100 HydrophobicContact CB-CD2 4.37Å; V94-L100 HydrophobicContact CG1-CD2 3.93Å; V94-L100 HydrophobicContact CG2-CD2 4.28Å; D98-L100 PolarHBondContact O-N 3.37Å |
| 101 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 139.4 | -175.8 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | I40 I58 L72 F84 Q85 | I40-V101 HydrophobicContact CB-CB 4.18Å; I40-V101 WeakPolarHBondContact CB-O 3.46Å; I40-V101 HydrophobicContact CG1-CB 4.4Å; I40-V101 PolarHBondContact N-O 3Å; I40-V101 PolarHBondContact O-N 3.49Å; I40-V101 VanDerWaalsContact O-N 3.17Å; I58-V101 HydrophobicContact CD1-CG2 3.29Å; I58-V101 HydrophobicContact CG1-CG2 4.12Å; L72-V101 HydrophobicContact CD1-CB 3.96Å; L72-V101 HydrophobicContact CD1-CG1 3.8Å; L72-V101 HydrophobicContact CD1-CG2 4.07Å; F84-V101 HydrophobicContact CB-CG1 4.35Å; F84-V101 HydrophobicContact CD1-CG1 4.24Å; Q85-V101 WeakPolarHBondContact O-CA 3.33Å |
| 102 | E | 96.5 | Very high | 93.7 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.1 | 160.2 | -72.9 | 173.6 | 171.6 | 0 | 0 | 108.4 | Q38 F84 Q85 K87 L99 | Q38-E102 CarbonylContact O-C 3.34Å; Q38-E102 WeakPolarHBondContact O-CA 3.46Å; F84-E102 CarbonylContact C-O 3.47Å; F84-E102 WeakPolarHBondContact CA-O 3.41Å; Q85-E102 HydrophobicContact CB-CB 4.37Å; Q85-E102 PolarHBondContact N-O 3.19Å; Q85-E102 PolarHBondContact O-N 3.01Å; Q85-E102 PolarHBondContact OE1-OE2 2.77Å; K87-E102 WeakPolarHBondContact CE-OE2 3.2Å; K87-E102 IonicContact NZ-OE1 3.97Å; K87-E102 IonicContact NZ-OE2 2.88Å; K87-E102 PolarHBondContact NZ-OE2 2.77Å; L99-E102 HydrophobicContact CD1-CG 4.35Å; L99-E102 HydrophobicContact CD2-CG 4.18Å |
| 103 | M | 95.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 112.5 | -175.9 | 176.2 | 178.2 | 116.1 | 0 | 0 | 109.7 | P35 Q38 I40 L72 F83 F84 Y105 I108 T115 V117 | P35-M103 HydrophobicContact CB-CE 4.27Å; P35-M103 HydrophobicContact CG-CE 3.62Å; Q38-M103 VanDerWaalsContact CA-O 3.22Å; Q38-M103 WeakPolarHBondContact CA-O 3.4Å; Q38-M103 VanDerWaalsContact CB-O 3.25Å; Q38-M103 WeakPolarHBondContact CB-O 3.34Å; Q38-M103 WeakPolarHBondContact CG-O 3.46Å; Q38-M103 PolarHBondContact O-N 2.75Å; I40-M103 HydrophobicContact CD1-CB 4.39Å; I40-M103 HydrophobicContact CD1-SD 4.39Å; I40-M103 HydrophobicContact CG1-CB 4Å; L72-M103 HydrophobicContact CB-SD 3.7Å; L72-M103 HydrophobicContact CD1-SD 4.33Å; L72-M103 HydrophobicContact CG-SD 4.39Å; F83-M103 WeakPolarHBondContact O-CA 3.15Å; F84-M103 HydrophobicContact CD1-CB 4.22Å; F84-M103 HydrophobicContact CD1-CG 4.02Å; F84-M103 HydrophobicContact CE1-CB 4.31Å; F84-M103 HydrophobicContact CE1-CG 3.64Å; F84-M103 HydrophobicContact CE1-SD 3.87Å; M103-Y105 VanDerWaalsContact C-N 3.28Å; M103-Y105 PolarHBondContact O-N 3.42Å; M103-I108 HydrophobicContact CG-CD1 3.55Å; M103-I108 HydrophobicContact SD-CD1 4.27Å; M103-T115 WeakPolarHBondContact CE-O 3.43Å; M103-V117 HydrophobicContact CE-CG2 4Å; M103-V117 HydrophobicContact SD-CG2 4.26Å |
| 104 | D | 95.1 | Very high | 93.4 | Very high | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | trans | -81 | 76.8 | 175.2 | -174.5 | 11.1 | 0 | 0 | 0 | 111.1 | Q38 F83 S106 S107 I108 | Q38-D104 PolarHBondContact NE2-OD1 3.43Å; F83-D104 HydrophobicContact CB-CB 4.11Å; F83-D104 PolarHBondContact O-N 2.95Å; D104-S106 PolarHBondContact O-N 3.39Å; D104-S107 VanDerWaalsContact CG-OG 3.3Å; D104-S107 PolarHBondContact O-N 2.94Å; D104-S107 VanDerWaalsContact OD2-CB 3.32Å; D104-S107 WeakPolarHBondContact OD2-CB 3.27Å; D104-S107 PolarHBondContact OD2-OG 3.15Å; D104-I108 WeakPolarHBondContact O-CG1 3.47Å; D104-I108 PolarHBondContact O-N 3.01Å; D104-I108 VanDerWaalsContact O-N 3.09Å | ||
| 105 | Y | 92.1 | Very high | 93.4 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.9 | -28.5 | -176.2 | 71.2 | -95.6 | 0 | 0 | 0 | 113.5 | P35 M36 Q38 M103 I108 H109 T115 | P35-Y105 HydrophobicContact CB-CD1 4.41Å; P35-Y105 HydrophobicContact CB-CG 4.48Å; P35-Y105 HydrophobicContact CG-CD1 4.46Å; P35-Y105 HydrophobicContact CG-CG 4.04Å; M36-Y105 PolarHBondContact O-OH 3.49Å; Q38-Y105 HydrophobicContact CG-CD1 4.05Å; Q38-Y105 HydrophobicContact CG-CE1 4.05Å; M103-Y105 VanDerWaalsContact C-N 3.28Å; M103-Y105 PolarHBondContact O-N 3.42Å; Y105-I108 PolarHBondContact O-N 2.89Å; Y105-H109 WeakPolarHBondContact O-CB 3.45Å; Y105-H109 PolarHBondContact O-N 3.05Å; Y105-T115 VanDerWaalsContact O-CG2 3.3Å; Y105-T115 WeakPolarHBondContact O-CG2 3.49Å |
| 106 | S | 90.3 | Very high | 93.5 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 176.7 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | D104 H109 E110 | D104-S106 PolarHBondContact O-N 3.39Å; S106-H109 PolarHBondContact O-N 3.39Å; S106-E110 WeakPolarHBondContact O-CG 3.28Å; S106-E110 PolarHBondContact O-N 3.16Å |
| 107 | S | 92.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | D104 E110 A111 | D104-S107 VanDerWaalsContact CG-OG 3.3Å; D104-S107 PolarHBondContact O-N 2.94Å; D104-S107 VanDerWaalsContact OD2-CB 3.32Å; D104-S107 WeakPolarHBondContact OD2-CB 3.27Å; D104-S107 PolarHBondContact OD2-OG 3.15Å; S107-E110 PolarHBondContact O-N 3.43Å; S107-A111 WeakPolarHBondContact O-CB 3.37Å; S107-A111 PolarHBondContact O-N 3.07Å |
| 108 | I | 93.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 174.3 | -65.3 | 167.1 | 0 | 0 | 0 | 110.6 | T76 L79 F83 F84 M103 D104 Y105 A111 G112 Y113 T115 | T76-I108 HydrophobicContact CG2-CG2 3.88Å; L79-I108 HydrophobicContact CD1-CB 4.46Å; L79-I108 HydrophobicContact CD1-CG1 3.97Å; L79-I108 HydrophobicContact CD1-CG2 4.11Å; F83-I108 HydrophobicContact CB-CD1 4.16Å; F83-I108 HydrophobicContact CB-CG1 3.73Å; F83-I108 HydrophobicContact CD2-CG1 4Å; F83-I108 HydrophobicContact CG-CG1 4.21Å; F84-I108 HydrophobicContact CE1-CD1 3.72Å; F84-I108 HydrophobicContact CE2-CD1 4.01Å; F84-I108 HydrophobicContact CZ-CD1 3.4Å; F84-I108 VanDerWaalsContact CZ-CD1 3.4Å; F84-I108 HydrophobicContact CZ-CG1 4.35Å; M103-I108 HydrophobicContact CG-CD1 3.55Å; M103-I108 HydrophobicContact SD-CD1 4.27Å; D104-I108 WeakPolarHBondContact O-CG1 3.47Å; D104-I108 PolarHBondContact O-N 3.01Å; D104-I108 VanDerWaalsContact O-N 3.09Å; Y105-I108 PolarHBondContact O-N 2.89Å; I108-A111 WeakPolarHBondContact O-CB 3.47Å; I108-A111 PolarHBondContact O-N 2.97Å; I108-G112 PolarHBondContact O-N 3.21Å; I108-Y113 PolarHBondContact O-N 3.31Å; I108-T115 HydrophobicContact CB-CG2 3.96Å; I108-T115 HydrophobicContact CG2-CG2 3.72Å |
| 109 | H | 91.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 39.5 Ų | 39.5 | 61% | 0.611 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.9 | -42.1 | 176.5 | -173.3 | 64.8 | 0 | 0 | 0 | 112.1 | Y105 S106 A111 G112 T115 | Y105-H109 WeakPolarHBondContact O-CB 3.45Å; Y105-H109 PolarHBondContact O-N 3.05Å; S106-H109 PolarHBondContact O-N 3.39Å; H109-A111 PolarHBondContact O-N 3.41Å; H109-G112 PolarHBondContact O-N 3.08Å; H109-T115 HydrophobicContact CB-CG2 3.96Å |
| 110 | E | 90.8 | Very high | 93.6 | Very high | 166 Ų | 166 | 37.8 Ų | 37.8 | 78% | 0.776 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.2 | -30.7 | 174.2 | -75.7 | -178 | -175 | 0 | 0 | 112.7 | S106 S107 G112 | S106-E110 WeakPolarHBondContact O-CG 3.28Å; S106-E110 PolarHBondContact O-N 3.16Å; S107-E110 PolarHBondContact O-N 3.43Å; E110-G112 PolarHBondContact O-N 3.14Å |
| 111 | A | 91.5 | Very high | 93.3 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -5.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L79 F83 S107 I108 H109 Y113 | L79-A111 HydrophobicContact CD2-CB 4.01Å; F83-A111 HydrophobicContact CE2-CB 4.4Å; S107-A111 WeakPolarHBondContact O-CB 3.37Å; S107-A111 PolarHBondContact O-N 3.07Å; I108-A111 WeakPolarHBondContact O-CB 3.47Å; I108-A111 PolarHBondContact O-N 2.97Å; H109-A111 PolarHBondContact O-N 3.41Å; A111-Y113 HydrophobicContact CB-CD2 3.93Å; A111-Y113 HydrophobicContact CB-CE2 4.32Å |
| 112 | G | 91.4 | Very high | 92.8 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 71% | 0.711 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | 13.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | I108 H109 E110 | I108-G112 PolarHBondContact O-N 3.21Å; H109-G112 PolarHBondContact O-N 3.08Å; E110-G112 PolarHBondContact O-N 3.14Å |
| 113 | Y | 92 | Very high | 92.1 | Very high | 55 Ų | 55 | 39.7 Ų | 39.7 | 22% | 0.216 | 23% | 0.226 | C | C | . | . | trans | -99.9 | 152.3 | 179.9 | -67.9 | -92.1 | 0 | 0 | 0 | 111.6 | D75 E78 L79 I108 A111 | D75-Y113 HydrophobicContact CB-CD1 4.17Å; D75-Y113 HydrophobicContact CB-CE1 4.12Å; D75-Y113 WeakPolarHBondContact O-CE1 3.49Å; E78-Y113 HydrophobicContact CB-CE1 4.05Å; E78-Y113 WeakPolarHBondContact CB-OH 3.32Å; E78-Y113 PolarHBondContact OE2-OH 3.22Å; L79-Y113 HydrophobicContact CD1-CD2 4.21Å; L79-Y113 HydrophobicContact CD1-CG 4.4Å; L79-Y113 HydrophobicContact CD2-CD2 3.77Å; L79-Y113 HydrophobicContact CD2-CE2 3.59Å; L79-Y113 HydrophobicContact CG-CD2 4.07Å; L79-Y113 HydrophobicContact CG-CE2 4.04Å; I108-Y113 PolarHBondContact O-N 3.31Å; A111-Y113 HydrophobicContact CB-CD2 3.93Å; A111-Y113 HydrophobicContact CB-CE2 4.32Å | ||
| 114 | D | 92.1 | Very high | 91 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | trans | -68.3 | 142.8 | 171.1 | -172.9 | -85.4 | 0 | 0 | 0 | 110.2 | G73 V74 D116 | G73-D114 WeakPolarHBondContact CA-O 3.48Å; V74-D114 HydrophobicContact CB-CB 3.95Å; V74-D114 HydrophobicContact CG2-CB 4.09Å; V74-D114 PolarHBondContact N-O 3.33Å; D114-D116 WeakPolarHBondContact OD1-CA 3.4Å; D114-D116 WeakPolarHBondContact OD1-CB 3.34Å; D114-D116 PolarHBondContact OD1-N 3.05Å | ||
| 115 | T | 94.1 | Very high | 89.5 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | trans | -112.5 | 3.7 | -175.1 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | P35 M103 Y105 I108 H109 V117 | P35-T115 WeakPolarHBondContact CD-O 3.43Å; P35-T115 VanDerWaalsContact CG-O 3.27Å; P35-T115 WeakPolarHBondContact CG-O 3.14Å; M103-T115 WeakPolarHBondContact CE-O 3.43Å; Y105-T115 VanDerWaalsContact O-CG2 3.3Å; Y105-T115 WeakPolarHBondContact O-CG2 3.49Å; I108-T115 HydrophobicContact CB-CG2 3.96Å; I108-T115 HydrophobicContact CG2-CG2 3.72Å; H109-T115 HydrophobicContact CB-CG2 3.96Å; T115-V117 PolarHBondContact O-N 3.01Å | ||
| 116 | D | 95 | Very high | 87.8 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -61.8 | 134.8 | 179.9 | -73 | -16.3 | 0 | 0 | 0 | 110.2 | K12 A32 I33 S34 G73 D114 M118 | K12-D116 VanDerWaalsContact CD-OD2 3.27Å; K12-D116 WeakPolarHBondContact CD-OD2 3.48Å; K12-D116 IonicContact NZ-OD1 2.91Å; K12-D116 PolarHBondContact NZ-OD1 3.02Å; K12-D116 IonicContact NZ-OD2 3.72Å; K12-D116 PolarHBondContact NZ-OD2 2.87Å; A32-D116 HydrophobicContact CB-CB 4.36Å; I33-D116 WeakPolarHBondContact O-CA 3.34Å; S34-D116 WeakPolarHBondContact CA-OD1 3.32Å; S34-D116 WeakPolarHBondContact CB-OD1 3.32Å; S34-D116 PolarHBondContact OG-OD1 2.9Å; G73-D116 VanDerWaalsContact CA-O 3.24Å; G73-D116 WeakPolarHBondContact CA-O 3.44Å; G73-D116 PolarHBondContact N-O 3.15Å; D114-D116 WeakPolarHBondContact OD1-CA 3.4Å; D114-D116 WeakPolarHBondContact OD1-CB 3.34Å; D114-D116 PolarHBondContact OD1-N 3.05Å; D116-M118 HydrophobicContact CB-SD 4.11Å | ||
| 117 | V | 96 | Very high | 86.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 108.2 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 107.6 | P6 V7 A32 I33 I40 L72 M103 T115 | P6-V117 HydrophobicContact CG-CG1 3.93Å; V7-V117 HydrophobicContact CG1-CB 4.12Å; V7-V117 HydrophobicContact CG1-CG1 4.45Å; V7-V117 HydrophobicContact CG1-CG2 4.07Å; A32-V117 CarbonylContact C-O 3.51Å; A32-V117 WeakPolarHBondContact CA-O 3.23Å; I33-V117 PolarHBondContact N-O 3.34Å; I33-V117 PolarHBondContact O-N 3.46Å; I40-V117 HydrophobicContact CD1-CG2 3.88Å; L72-V117 HydrophobicContact CD2-CB 4.48Å; L72-V117 HydrophobicContact CD2-CG1 3.78Å; L72-V117 HydrophobicContact CD2-CG2 4.1Å; M103-V117 HydrophobicContact CE-CG2 4Å; M103-V117 HydrophobicContact SD-CG2 4.26Å; T115-V117 PolarHBondContact O-N 3.01Å |
| 118 | M | 96 | Very high | 85.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.4 | 177.2 | -67.9 | 74.3 | 69.7 | 0 | 0 | 110.2 | I14 V17 F22 A32 L70 H71 G73 V74 D116 I120 | I14-M118 HydrophobicContact CD1-CB 4.25Å; I14-M118 HydrophobicContact CD1-CG 3.89Å; V17-M118 HydrophobicContact CG1-SD 4.39Å; V17-M118 HydrophobicContact CG2-CG 4.34Å; F22-M118 HydrophobicContact CD1-CE 4.43Å; F22-M118 HydrophobicContact CD1-CG 4.24Å; F22-M118 HydrophobicContact CD2-CE 3.85Å; F22-M118 HydrophobicContact CE1-CE 4.13Å; F22-M118 HydrophobicContact CE2-CE 3.54Å; F22-M118 HydrophobicContact CG-CE 4.31Å; F22-M118 HydrophobicContact CG-CG 4.21Å; F22-M118 HydrophobicContact CZ-CE 3.7Å; A32-M118 HydrophobicContact CB-CG 4.36Å; L70-M118 WeakPolarHBondContact CA-O 3.48Å; H71-M118 HydrophobicContact CB-CB 4.29Å; H71-M118 HydrophobicContact CB-CE 3.86Å; H71-M118 PolarHBondContact N-O 3.16Å; H71-M118 WeakPolarHBondContact ND1-CE 3.34Å; H71-M118 PolarHBondContact O-N 3.47Å; G73-M118 WeakPolarHBondContact O-CE 3.4Å; V74-M118 HydrophobicContact CG2-CE 4.18Å; D116-M118 HydrophobicContact CB-SD 4.11Å; M118-I120 HydrophobicContact CB-CD1 3.97Å; M118-I120 HydrophobicContact CB-CG1 4.01Å |
| 119 | V | 95.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 102.5 | 173.3 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | L3 P6 G30 V31 I33 I68 L70 I144 L145 | L3-V119 HydrophobicContact CD2-CG1 4.09Å; P6-V119 HydrophobicContact CG-CG2 3.57Å; G30-V119 WeakPolarHBondContact CA-O 3.32Å; V31-V119 HydrophobicContact CG2-CB 4.29Å; V31-V119 PolarHBondContact N-O 2.91Å; V31-V119 PolarHBondContact O-N 3.45Å; I33-V119 HydrophobicContact CD1-CG2 3.63Å; I68-V119 HydrophobicContact CG2-CG1 4.1Å; L70-V119 HydrophobicContact CD2-CB 4.27Å; L70-V119 HydrophobicContact CD2-CG1 4.05Å; L70-V119 HydrophobicContact CD2-CG2 3.8Å; V119-I144 HydrophobicContact CB-CD1 4.22Å; V119-I144 HydrophobicContact CG1-CD1 4.28Å; V119-I144 HydrophobicContact CG2-CD1 3.92Å; V119-L145 HydrophobicContact CG1-CD1 4.43Å |
| 120 | I | 93.8 | Very high | 84.1 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.6 | -168.3 | -55.1 | 165.7 | 0 | 0 | 0 | 109.8 | F22 L27 I68 L69 M118 T122 | F22-I120 HydrophobicContact CD1-CD1 3.37Å; F22-I120 HydrophobicContact CE1-CD1 3.41Å; F22-I120 VanDerWaalsContact CE1-CD1 3.41Å; L27-I120 HydrophobicContact CB-CG2 4.46Å; I68-I120 CarbonylContact C-O 3.34Å; I68-I120 VanDerWaalsContact CA-O 3.31Å; I68-I120 WeakPolarHBondContact CA-O 3.35Å; L69-I120 HydrophobicContact CB-CB 4.37Å; L69-I120 HydrophobicContact CD2-CD1 4.47Å; L69-I120 PolarHBondContact N-O 3.14Å; L69-I120 PolarHBondContact O-N 3.21Å; M118-I120 HydrophobicContact CB-CD1 3.97Å; M118-I120 HydrophobicContact CB-CG1 4.01Å; I120-T122 HydrophobicContact CG2-CG2 4.38Å; I120-T122 PolarHBondContact O-N 3.4Å |
| 121 | I | 90.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 100.2 | 169.9 | -49.7 | -53.3 | 0 | 0 | 0 | 107.9 | L3 G28 D29 V66 E67 I68 N123 A124 I129 L145 I147 | L3-I121 HydrophobicContact CD2-CD1 3.71Å; G28-I121 WeakPolarHBondContact CA-O 3.33Å; D29-I121 PolarHBondContact O-N 2.7Å; V66-I121 HydrophobicContact CG1-CD1 4.14Å; V66-I121 HydrophobicContact CG1-CG2 3.96Å; E67-I121 WeakPolarHBondContact O-CA 3.5Å; I68-I121 HydrophobicContact CG1-CD1 3.86Å; I68-I121 HydrophobicContact CG2-CD1 4.48Å; I121-N123 VanDerWaalsContact C-N 3.26Å; I121-N123 PolarHBondContact O-N 2.99Å; I121-A124 HydrophobicContact CB-CB 4.35Å; I121-A124 HydrophobicContact CG2-CB 4.37Å; I121-A124 WeakPolarHBondContact O-CB 3.2Å; I121-A124 PolarHBondContact O-N 3.33Å; I121-I129 HydrophobicContact CB-CD1 3.83Å; I121-I129 HydrophobicContact CG1-CD1 3.91Å; I121-I129 HydrophobicContact CG2-CD1 4.19Å; I121-L145 HydrophobicContact CG1-CD1 4.48Å; I121-I147 HydrophobicContact CD1-CD1 3.58Å; I121-I147 HydrophobicContact CG1-CD1 3.9Å |
| 122 | T | 84.7 | Confident | 82.5 | Confident | 58 Ų | 58 | 37.4 Ų | 37.4 | 36% | 0.356 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -25.8 | -172.9 | 54.9 | 0 | 0 | 0 | 0 | 113 | L27 E67 L69 I120 | L27-T122 WeakPolarHBondContact O-CA 3.28Å; E67-T122 WeakPolarHBondContact CB-OG1 3.32Å; E67-T122 PolarHBondContact O-N 3.21Å; E67-T122 PolarHBondContact O-OG1 2.97Å; L69-T122 HydrophobicContact CB-CG2 3.65Å; L69-T122 HydrophobicContact CD2-CG2 4.44Å; I120-T122 HydrophobicContact CG2-CG2 4.38Å; I120-T122 PolarHBondContact O-N 3.4Å |
| 123 | N | 81.3 | Confident | 81 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 46.9 | 173.1 | 71.5 | -17.3 | 0 | 0 | 0 | 112.1 | G65 E67 I121 A125 K127 | G65-N123 PolarHBondContact O-ND2 3.47Å; E67-N123 HydrophobicContact CB-CB 4.47Å; E67-N123 PolarHBondContact N-OD1 3.11Å; I121-N123 VanDerWaalsContact C-N 3.26Å; I121-N123 PolarHBondContact O-N 2.99Å; N123-A125 PolarHBondContact O-N 3.22Å; N123-K127 PolarHBondContact ND2-NZ 3.07Å; N123-K127 PolarHBondContact O-NZ 3.06Å |
| 124 | A | 72.1 | Confident | 79.3 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | trans | -62.8 | -22.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D29 I121 G126 K127 I129 | D29-A124 HydrophobicContact CB-CB 4.26Å; I121-A124 HydrophobicContact CB-CB 4.35Å; I121-A124 HydrophobicContact CG2-CB 4.37Å; I121-A124 WeakPolarHBondContact O-CB 3.2Å; I121-A124 PolarHBondContact O-N 3.33Å; A124-G126 PolarHBondContact O-N 3.45Å; A124-K127 PolarHBondContact O-N 3.34Å; A124-K127 VanDerWaalsContact O-N 3.09Å; A124-I129 HydrophobicContact CB-CD1 3.59Å | ||
| 125 | A | 64.2 | Low | 77.5 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 54% | 0.537 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 135.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N123 K127 | N123-A125 PolarHBondContact O-N 3.22Å; A125-K127 PolarHBondContact O-N 3.08Å |
| 126 | G | 55.9 | Low | 76.2 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -2.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | A124 D185 | A124-G126 PolarHBondContact O-N 3.45Å; G126-D185 WeakPolarHBondContact CA-O 3.43Å; G126-D185 PolarHBondContact N-O 2.91Å |
| 127 | K | 65.5 | Low | 75.7 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 26% | 0.261 | 31% | 0.308 | S | S | . | . | trans | -108.4 | 136.6 | -176.4 | -60.8 | 177.6 | -174.5 | 66 | 0 | 110.9 | N123 A124 A125 I129 I147 | N123-K127 PolarHBondContact ND2-NZ 3.07Å; N123-K127 PolarHBondContact O-NZ 3.06Å; A124-K127 PolarHBondContact O-N 3.34Å; A124-K127 VanDerWaalsContact O-N 3.09Å; A125-K127 PolarHBondContact O-N 3.08Å; K127-I129 PolarHBondContact O-N 3.17Å; K127-I147 HydrophobicContact CB-CG2 4.21Å; K127-I147 HydrophobicContact CD-CG2 4.18Å | ||
| 128 | V | 69 | Low | 75.4 | Confident | 44 Ų | 44 | 57 Ų | 57 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.6 | 166.7 | 166.6 | 0 | 0 | 0 | 0 | 110 | E130 I147 N148 G153 | V128-E130 HydrophobicContact CG1-CG 3.99Å; V128-I147 WeakPolarHBondContact O-CA 3.3Å; V128-N148 HydrophobicContact CB-CB 4.3Å; V128-N148 PolarHBondContact O-N 3.1Å; V128-G153 WeakPolarHBondContact CG2-O 3.28Å |
| 129 | I | 76.3 | Confident | 75.1 | Confident | 26 Ų | 26 | 60.6 Ų | 60.6 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 98.3 | 177.1 | -57.6 | 169.1 | 0 | 0 | 0 | 107.3 | D29 I121 A124 K127 K131 L145 | D29-I129 HydrophobicContact CB-CD1 4.09Å; I121-I129 HydrophobicContact CB-CD1 3.83Å; I121-I129 HydrophobicContact CG1-CD1 3.91Å; I121-I129 HydrophobicContact CG2-CD1 4.19Å; A124-I129 HydrophobicContact CB-CD1 3.59Å; K127-I129 PolarHBondContact O-N 3.17Å; I129-K131 PolarHBondContact O-N 2.88Å; I129-L145 HydrophobicContact CG2-CD1 4.37Å; I129-L145 HydrophobicContact CG2-CD2 3.73Å; I129-L145 HydrophobicContact CG2-CG 4.44Å |
| 130 | E | 77.6 | Confident | 74.5 | Confident | 95 Ų | 95 | 63.1 Ų | 63.1 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 113 | 171.6 | -73.6 | 177.7 | -159.5 | 0 | 0 | 109.5 | V128 K132 L145 T146 N148 | V128-E130 HydrophobicContact CG1-CG 3.99Å; E130-K132 PolarHBondContact O-N 3.06Å; E130-L145 WeakPolarHBondContact O-CA 3.48Å; E130-T146 PolarHBondContact N-O 3.16Å; E130-T146 PolarHBondContact O-N 3.27Å; E130-N148 PolarHBondContact OE1-ND2 3.44Å; E130-N148 VanDerWaalsContact OE1-ND2 3.09Å |
| 131 | K | 79.3 | Confident | 73.7 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 27% | 0.27 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.2 | 170.8 | -51.6 | -174.9 | -172.3 | -163.2 | 0 | 107.6 | E15 D29 G30 V31 I129 S133 L145 | E15-K131 IonicContact OE1-NZ 3.79Å; E15-K131 PolarHBondContact OE1-NZ 3.25Å; E15-K131 IonicContact OE2-NZ 2.8Å; D29-K131 VanDerWaalsContact OD1-CE 3.29Å; D29-K131 WeakPolarHBondContact OD1-CE 3.45Å; D29-K131 IonicContact OD1-NZ 3.14Å; D29-K131 PolarHBondContact OD1-NZ 2.85Å; G30-K131 VanDerWaalsContact O-CE 3.24Å; G30-K131 WeakPolarHBondContact O-CE 3.3Å; G30-K131 PolarHBondContact O-NZ 3.38Å; V31-K131 HydrophobicContact CG1-CB 4.35Å; V31-K131 HydrophobicContact CG1-CD 4Å; V31-K131 HydrophobicContact CG1-CG 4.14Å; I129-K131 PolarHBondContact O-N 2.88Å; K131-S133 PolarHBondContact O-N 3.38Å; K131-L145 HydrophobicContact CB-CD2 4.2Å; K131-L145 HydrophobicContact CG-CD2 3.79Å |
| 132 | K | 69.2 | Low | 73.6 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 32% | 0.317 | 38% | 0.377 | S | S | . | . | trans | -59.2 | 130.5 | 176.8 | -70.6 | -62.6 | -166.1 | -153.2 | 0 | 107.8 | E130 L134 P143 I144 T146 | E130-K132 PolarHBondContact O-N 3.06Å; K132-L134 PolarHBondContact O-N 3.03Å; K132-L134 VanDerWaalsContact O-N 3.13Å; K132-P143 HydrophobicContact CG-CB 4.36Å; K132-P143 WeakPolarHBondContact CG-O 3.27Å; K132-I144 PolarHBondContact N-O 3.11Å; K132-T146 WeakPolarHBondContact CE-OG1 3.41Å; K132-T146 PolarHBondContact NZ-OG1 3.19Å | ||
| 133 | S | 60 | Low | 73.6 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 69% | 0.692 | 37% | 0.373 | S | S | * | . | trans | -25.9 | 117.4 | 177.7 | 153.3 | 0 | 0 | 0 | 0 | 110.2 | K131 L135 | K131-S133 PolarHBondContact O-N 3.38Å; S133-L135 WeakPolarHBondContact O-CG 3.42Å; S133-L135 PolarHBondContact O-N 3.3Å | ||
| 134 | L | 58.2 | Low | 73.9 | Confident | 105 Ų | 105 | 65.1 Ų | 65.1 | 55% | 0.55 | 36% | 0.362 | S | S | . | . | trans | -49.3 | 79.5 | -176.4 | -67.9 | 161.6 | 0 | 0 | 0 | 111.6 | L11 K132 K136 | L11-L134 HydrophobicContact CD2-CD2 4.41Å; L11-L134 HydrophobicContact CG-CD2 4.24Å; K132-L134 PolarHBondContact O-N 3.03Å; K132-L134 VanDerWaalsContact O-N 3.13Å; L134-K136 PolarHBondContact O-N 2.99Å | ||
| 135 | L | 52.8 | Low | 74.6 | Confident | 91 Ų | 91 | 64 Ų | 64 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | trans | -68.4 | 119.2 | 172.1 | -76.2 | 167.2 | 0 | 0 | 0 | 104.6 | L11 S133 K137 V138 T142 | L11-L135 WeakPolarHBondContact CB-O 3.25Å; S133-L135 WeakPolarHBondContact O-CG 3.42Å; S133-L135 PolarHBondContact O-N 3.3Å; L135-K137 PolarHBondContact O-N 3.44Å; L135-V138 HydrophobicContact CB-CG1 4.14Å; L135-T142 HydrophobicContact CD1-CG2 4.1Å | ||
| 136 | K | 67.2 | Low | 75.4 | Confident | 161 Ų | 161 | 61.4 Ų | 61.4 | 70% | 0.7 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -56.1 | -21.4 | -179.2 | -72.3 | -168.1 | 174.9 | -167.3 | 0 | 113.4 | E10 L134 | E10-K136 VanDerWaalsContact CA-O 3.25Å; E10-K136 WeakPolarHBondContact CA-O 3.2Å; E10-K136 VanDerWaalsContact CB-O 3.29Å; E10-K136 WeakPolarHBondContact CB-O 3.35Å; E10-K136 WeakPolarHBondContact CG-O 3.4Å; L134-K136 PolarHBondContact O-N 2.99Å |
| 137 | K | 84 | Confident | 76.5 | Confident | 148 Ų | 148 | 59.6 Ų | 59.6 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | trans | -136.9 | 131 | 175.1 | -67.8 | -168 | 178.3 | -162.8 | 0 | 110.5 | G9 L135 | G9-K137 CarbonylContact O-C 3.6Å; G9-K137 WeakPolarHBondContact O-CA 3.35Å; L135-K137 PolarHBondContact O-N 3.44Å | ||
| 138 | V | 89.4 | Confident | 76.4 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -126.5 | 154.1 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 109.3 | S5 T8 G9 L11 I33 L135 T142 I144 | S5-V138 WeakPolarHBondContact OG-CG2 2.8Å; T8-V138 CarbonylContact C-O 3.58Å; T8-V138 WeakPolarHBondContact CA-O 3.34Å; G9-V138 PolarHBondContact N-O 2.76Å; G9-V138 WeakPolarHBondContact O-CG2 3.24Å; G9-V138 PolarHBondContact O-N 3.35Å; L11-V138 HydrophobicContact CB-CG1 3.93Å; L11-V138 HydrophobicContact CB-CG2 4.27Å; L11-V138 HydrophobicContact CD2-CG1 4.28Å; I33-V138 HydrophobicContact CG2-CG2 4.12Å; L135-V138 HydrophobicContact CB-CG1 4.14Å; V138-T142 HydrophobicContact CB-CG2 4.1Å; V138-T142 HydrophobicContact CG1-CG2 3.89Å; V138-I144 HydrophobicContact CB-CG2 4.38Å; V138-I144 HydrophobicContact CG1-CG2 4.24Å; V138-I144 HydrophobicContact CG2-CG2 4.37Å |
| 139 | N | 89.8 | Confident | 76 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 40% | 0.401 | 32% | 0.318 | S | S | . | . | trans | -125.8 | 174.1 | 172.3 | 64 | 27.7 | 0 | 0 | 0 | 110.3 | S5 T8 A141 T142 | S5-N139 VanDerWaalsContact CB-O 3.22Å; S5-N139 WeakPolarHBondContact CB-O 3.38Å; T8-N139 HydrophobicContact CG2-CB 4.23Å; N139-A141 PolarHBondContact O-N 2.91Å; N139-A141 PolarHBondContact OD1-N 3.49Å; N139-A141 VanDerWaalsContact OD1-N 3.08Å; N139-T142 PolarHBondContact N-OG1 3.5Å; N139-T142 VanDerWaalsContact N-OG1 3.13Å; N139-T142 VanDerWaalsContact O-CB 3.31Å; N139-T142 WeakPolarHBondContact O-CB 3.29Å; N139-T142 PolarHBondContact O-N 3.39Å; N139-T142 PolarHBondContact O-OG1 3.48Å; N139-T142 PolarHBondContact OD1-N 3.23Å; N139-T142 PolarHBondContact OD1-OG1 3.01Å | ||
| 140 | E | 82.9 | Confident | 74.5 | Confident | 52 Ų | 52 | 65 Ų | 65 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -17.7 | -178.6 | -63.6 | -179.8 | 175.2 | 0 | 0 | 114.7 | L4 S5 T41 | L4-E140 WeakPolarHBondContact CB-O 3.38Å; S5-E140 WeakPolarHBondContact O-CA 2.71Å; T41-E140 HydrophobicContact CG2-CG 4.45Å; T41-E140 WeakPolarHBondContact CG2-OE1 3.37Å |
| 141 | A | 78.5 | Confident | 72.8 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 63% | 0.628 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | N139 P143 | N139-A141 PolarHBondContact O-N 2.91Å; N139-A141 PolarHBondContact OD1-N 3.49Å; N139-A141 VanDerWaalsContact OD1-N 3.08Å; A141-P143 WeakPolarHBondContact O-CD 3.4Å |
| 142 | T | 87 | Confident | 70.8 | Confident | 25 Ų | 25 | 70.4 Ų | 70.4 | 15% | 0.153 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -92.3 | 121.3 | -174.6 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | L4 S5 L135 V138 N139 I144 | L4-T142 CarbonylContact C-O 3.54Å; L4-T142 WeakPolarHBondContact CA-O 3.36Å; S5-T142 PolarHBondContact N-O 3.04Å; L135-T142 HydrophobicContact CD1-CG2 4.1Å; V138-T142 HydrophobicContact CB-CG2 4.1Å; V138-T142 HydrophobicContact CG1-CG2 3.89Å; N139-T142 PolarHBondContact N-OG1 3.5Å; N139-T142 VanDerWaalsContact N-OG1 3.13Å; N139-T142 VanDerWaalsContact O-CB 3.31Å; N139-T142 WeakPolarHBondContact O-CB 3.29Å; N139-T142 PolarHBondContact O-N 3.39Å; N139-T142 PolarHBondContact O-OG1 3.48Å; N139-T142 PolarHBondContact OD1-N 3.23Å; N139-T142 PolarHBondContact OD1-OG1 3.01Å; T142-I144 PolarHBondContact O-N 3.49Å |
| 143 | P | 86.3 | Confident | 69.5 | Low | 44 Ų | 44 | 68.1 Ų | 68.1 | 29% | 0.286 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 125.5 | 169.7 | -22.7 | 34.3 | 0 | 0 | 0 | 111.2 | D2 L3 L4 K132 A141 | D2-P143 HydrophobicContact CB-CB 4.21Å; L3-P143 CarbonylContact O-C 3.54Å; L3-P143 WeakPolarHBondContact O-CA 3.27Å; L4-P143 HydrophobicContact CD2-CB 4.44Å; L4-P143 HydrophobicContact CD2-CG 3.95Å; K132-P143 HydrophobicContact CG-CB 4.36Å; K132-P143 WeakPolarHBondContact CG-O 3.27Å; A141-P143 WeakPolarHBondContact O-CD 3.4Å |
| 144 | I | 87.8 | Confident | 68.8 | Low | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -32.8 | 179.8 | 54.2 | 167 | 0 | 0 | 0 | 112.4 | L3 L11 V31 I33 V119 K132 V138 T142 | L3-I144 VanDerWaalsContact O-CG1 3.27Å; L3-I144 WeakPolarHBondContact O-CG1 3.38Å; L3-I144 PolarHBondContact O-N 3.05Å; L11-I144 HydrophobicContact CD1-CB 4.16Å; L11-I144 HydrophobicContact CD1-CG2 3.99Å; L11-I144 HydrophobicContact CD2-CG2 4.4Å; V31-I144 HydrophobicContact CG2-CB 4.35Å; V31-I144 HydrophobicContact CG2-CD1 3.77Å; V31-I144 HydrophobicContact CG2-CG1 4.37Å; I33-I144 HydrophobicContact CD1-CD1 3.96Å; V119-I144 HydrophobicContact CB-CD1 4.22Å; V119-I144 HydrophobicContact CG1-CD1 4.28Å; V119-I144 HydrophobicContact CG2-CD1 3.92Å; K132-I144 PolarHBondContact N-O 3.11Å; V138-I144 HydrophobicContact CB-CG2 4.38Å; V138-I144 HydrophobicContact CG1-CG2 4.24Å; V138-I144 HydrophobicContact CG2-CG2 4.37Å; T142-I144 PolarHBondContact O-N 3.49Å |
| 145 | L | 86.4 | Confident | 68.3 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.8 | 177.2 | -65.7 | 174.1 | 0 | 0 | 0 | 108.9 | D2 L3 V31 V119 I121 I129 E130 K131 | D2-L145 CarbonylContact C-O 3.47Å; D2-L145 WeakPolarHBondContact CA-O 3.49Å; L3-L145 HydrophobicContact CB-CB 4.24Å; L3-L145 HydrophobicContact CD2-CD1 4.42Å; L3-L145 PolarHBondContact N-O 2.86Å; L3-L145 PolarHBondContact O-N 3.45Å; V31-L145 HydrophobicContact CG1-CD2 3.7Å; V31-L145 HydrophobicContact CG1-CG 4.38Å; V31-L145 HydrophobicContact CG2-CD1 4.12Å; V31-L145 HydrophobicContact CG2-CD2 4.24Å; V31-L145 HydrophobicContact CG2-CG 4Å; V119-L145 HydrophobicContact CG1-CD1 4.43Å; I121-L145 HydrophobicContact CG1-CD1 4.48Å; I129-L145 HydrophobicContact CG2-CD1 4.37Å; I129-L145 HydrophobicContact CG2-CD2 3.73Å; I129-L145 HydrophobicContact CG2-CG 4.44Å; E130-L145 WeakPolarHBondContact O-CA 3.48Å; K131-L145 HydrophobicContact CB-CD2 4.2Å; K131-L145 HydrophobicContact CG-CD2 3.79Å |
| 146 | T | 81.1 | Confident | 68.4 | Low | 10 Ų | 10 | 61.7 Ų | 61.7 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.2 | 163.7 | -64.2 | 0 | 0 | 0 | 0 | 108.1 | M1 D2 E130 K132 | M1-T146 CarbonylContact O-C 3.51Å; D2-T146 VanDerWaalsContact OD1-CB 3.28Å; D2-T146 WeakPolarHBondContact OD1-CB 3.42Å; D2-T146 VanDerWaalsContact OD1-CG2 3.25Å; D2-T146 WeakPolarHBondContact OD1-CG2 3.49Å; D2-T146 PolarHBondContact OD1-OG1 3.15Å; E130-T146 PolarHBondContact N-O 3.16Å; E130-T146 PolarHBondContact O-N 3.27Å; K132-T146 WeakPolarHBondContact CE-OG1 3.41Å; K132-T146 PolarHBondContact NZ-OG1 3.19Å |
| 147 | I | 78 | Confident | 68.2 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 109.1 | 172.4 | -53.5 | 177.5 | 0 | 0 | 0 | 106.9 | M1 L3 V66 I121 K127 V128 L149 | M1-I147 PolarHBondContact N-O 3.4Å; M1-I147 PolarHBondContact O-N 2.95Å; L3-I147 HydrophobicContact CD1-CD1 3.4Å; L3-I147 HydrophobicContact CD1-CG1 3.85Å; L3-I147 HydrophobicContact CD2-CD1 4.36Å; V66-I147 HydrophobicContact CG1-CD1 3.61Å; V66-I147 HydrophobicContact CG2-CD1 4.47Å; I121-I147 HydrophobicContact CD1-CD1 3.58Å; I121-I147 HydrophobicContact CG1-CD1 3.9Å; K127-I147 HydrophobicContact CB-CG2 4.21Å; K127-I147 HydrophobicContact CD-CG2 4.18Å; V128-I147 WeakPolarHBondContact O-CA 3.3Å; I147-L149 HydrophobicContact CG2-CD2 4.02Å; I147-L149 PolarHBondContact O-N 3.09Å; I147-L149 VanDerWaalsContact O-N 3.09Å |
| 148 | N | 63.6 | Low | 67.2 | Low | 54 Ų | 54 | 50.6 Ų | 50.6 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 105.7 | 171.6 | -74.8 | -35 | 0 | 0 | 0 | 107.9 | V128 E130 D150 | V128-N148 HydrophobicContact CB-CB 4.3Å; V128-N148 PolarHBondContact O-N 3.1Å; E130-N148 PolarHBondContact OE1-ND2 3.44Å; E130-N148 VanDerWaalsContact OE1-ND2 3.09Å; N148-D150 VanDerWaalsContact C-N 3.32Å |
| 149 | L | 59.8 | Low | 66 | Low | 67 Ų | 67 | 53.1 Ų | 53.1 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | trans | -81.5 | -18.4 | 175.1 | -63.4 | 176.9 | 0 | 0 | 0 | 111.6 | M1 D64 V66 I147 Q151 | M1-L149 HydrophobicContact CB-CD1 3.58Å; M1-L149 HydrophobicContact CB-CG 3.91Å; M1-L149 HydrophobicContact CE-CD1 3.9Å; M1-L149 HydrophobicContact CG-CD1 4.45Å; M1-L149 HydrophobicContact SD-CD1 4.2Å; D64-L149 HydrophobicContact CB-CD1 3.73Å; D64-L149 HydrophobicContact CB-CD2 4.36Å; V66-L149 HydrophobicContact CG2-CD2 3.62Å; I147-L149 HydrophobicContact CG2-CD2 4.02Å; I147-L149 PolarHBondContact O-N 3.09Å; I147-L149 VanDerWaalsContact O-N 3.09Å; L149-Q151 PolarHBondContact O-N 3.4Å | ||
| 150 | D | 45 | Very low | 65.1 | Low | 123 Ų | 123 | 50.1 Ų | 50.1 | 66% | 0.658 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -66.7 | 129.4 | 167.1 | -90.7 | -19.4 | 0 | 0 | 0 | 108.4 | N148 N152 G153 | N148-D150 VanDerWaalsContact C-N 3.32Å; D150-N152 HydrophobicContact CB-CB 4.36Å; D150-N152 PolarHBondContact O-N 2.88Å; D150-G153 PolarHBondContact O-N 2.75Å |
| 151 | Q | 43.1 | Very low | 64.7 | Low | 147 Ų | 147 | 56.3 Ų | 56.3 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -4.8 | 174.3 | -65.1 | 178.1 | -14.8 | 0 | 0 | 113.4 | L149 | L149-Q151 PolarHBondContact O-N 3.4Š|
| 152 | N | 37.8 | Very low | 64.5 | Low | 123 Ų | 123 | 54.4 Ų | 54.4 | 66% | 0.658 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -12.1 | -179.9 | -71.1 | -4.4 | 0 | 0 | 0 | 115.2 | D150 | D150-N152 HydrophobicContact CB-CB 4.36Å; D150-N152 PolarHBondContact O-N 2.88Å |
| 153 | G | 41 | Very low | 64 | Low | 25 Ų | 25 | 54.4 Ų | 54.4 | 26% | 0.258 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -84.7 | -32.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V128 D150 E155 | V128-G153 WeakPolarHBondContact CG2-O 3.28Å; D150-G153 PolarHBondContact O-N 2.75Å; G153-E155 PolarHBondContact O-N 3.13Å |
| 154 | A | 44.8 | Very low | 63.3 | Low | 18 Ų | 18 | 55.2 Ų | 55.2 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -53.4 | 136.4 | 176 | 0 | 0 | 0 | 0 | 0 | 108.3 | I156 | A154-I156 VanDerWaalsContact C-N 3.32Å; A154-I156 HydrophobicContact CB-CG2 4.19Å; A154-I156 WeakPolarHBondContact O-CG2 3.43Å; A154-I156 PolarHBondContact O-N 2.84Å |
| 155 | E | 48.4 | Very low | 62.8 | Low | 86 Ų | 86 | 64.2 Ų | 64.2 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | trans | -58.1 | 106.8 | 166.8 | -91.7 | 174.3 | -154.8 | 0 | 0 | 105.8 | G153 K187 I190 | G153-E155 PolarHBondContact O-N 3.13Å; E155-K187 VanDerWaalsContact OE1-CE 3.24Å; E155-K187 WeakPolarHBondContact OE1-CE 3.29Å; E155-K187 IonicContact OE1-NZ 3.03Å; E155-K187 PolarHBondContact OE1-NZ 3.31Å; E155-I190 HydrophobicContact CB-CD1 3.5Å; E155-I190 VanDerWaalsContact CB-CD1 3.5Å; E155-I190 HydrophobicContact CB-CG2 4.18Å; E155-I190 WeakPolarHBondContact O-CD1 3.48Å | ||
| 156 | I | 54.2 | Low | 62.5 | Low | 55 Ų | 55 | 67.8 Ų | 67.8 | 28% | 0.282 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.8 | -179 | 55.6 | 175.4 | 0 | 0 | 0 | 109.1 | A154 V158 V181 F182 T183 | A154-I156 VanDerWaalsContact C-N 3.32Å; A154-I156 HydrophobicContact CB-CG2 4.19Å; A154-I156 WeakPolarHBondContact O-CG2 3.43Å; A154-I156 PolarHBondContact O-N 2.84Å; I156-V158 HydrophobicContact CD1-CG1 4.02Å; I156-V158 HydrophobicContact CG1-CG1 4.27Å; I156-V181 HydrophobicContact CB-CG1 3.97Å; I156-V181 HydrophobicContact CD1-CG1 3.9Å; I156-V181 HydrophobicContact CG1-CG1 4.46Å; I156-V181 HydrophobicContact CG2-CG1 4.13Å; I156-F182 VanDerWaalsContact CA-O 3.29Å; I156-F182 WeakPolarHBondContact CA-O 3.45Å; I156-T183 HydrophobicContact CG2-CG2 3.41Å; I156-T183 VanDerWaalsContact CG2-CG2 3.41Å |
| 157 | I | 63.2 | Low | 62.4 | Low | 29 Ų | 29 | 72.1 Ų | 72.1 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 118.1 | 170.2 | -66.5 | 158.1 | 0 | 0 | 0 | 106.6 | F182 I190 Y193 Q194 | I157-F182 HydrophobicContact CB-CB 4.19Å; I157-F182 HydrophobicContact CG2-CD2 4.32Å; I157-F182 PolarHBondContact N-O 2.84Å; I157-F182 WeakPolarHBondContact O-CD2 3.31Å; I157-F182 PolarHBondContact O-N 2.78Å; I157-I190 HydrophobicContact CD1-CG2 4.07Å; I157-I190 HydrophobicContact CG1-CG2 4.37Å; I157-Y193 HydrophobicContact CD1-CD1 3.54Å; I157-Y193 HydrophobicContact CD1-CE1 4.26Å; I157-Q194 HydrophobicContact CD1-CG 3.75Å; I157-Q194 HydrophobicContact CG1-CG 4.18Å |
| 158 | V | 63.7 | Low | 61.9 | Low | 48 Ų | 48 | 79.5 Ų | 79.5 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.8 | -179.7 | -75.3 | 0 | 0 | 0 | 0 | 110.4 | I156 I163 T178 K180 V181 | I156-V158 HydrophobicContact CD1-CG1 4.02Å; I156-V158 HydrophobicContact CG1-CG1 4.27Å; V158-I163 HydrophobicContact CB-CD1 3.81Å; V158-I163 HydrophobicContact CG2-CD1 3.73Å; V158-T178 HydrophobicContact CB-CG2 3.98Å; V158-T178 HydrophobicContact CG1-CG2 3.88Å; V158-K180 WeakPolarHBondContact CA-O 3.47Å; V158-V181 HydrophobicContact CG1-CB 4.42Å; V158-V181 HydrophobicContact CG1-CG1 4.14Å; V158-V181 HydrophobicContact CG1-CG2 4.06Å |
| 159 | K | 63.9 | Low | 62.3 | Low | 59 Ų | 59 | 83.6 Ų | 83.6 | 26% | 0.257 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138 | 176 | -178.4 | 179.7 | 176.4 | -177 | 0 | 109.2 | E179 K180 F182 E206 | K159-E179 PolarHBondContact O-N 3.48Å; K159-K180 HydrophobicContact CB-CB 4.43Å; K159-K180 PolarHBondContact N-O 3.4Å; K159-K180 PolarHBondContact O-N 2.73Å; K159-K180 VanDerWaalsContact O-N 3.12Å; K159-F182 HydrophobicContact CB-CE2 4.33Å; K159-E206 IonicContact NZ-OE2 3.86Å; K159-E206 PolarHBondContact NZ-OE2 2.9Å |
| 160 | G | 71.8 | Confident | 62.8 | Low | 12 Ų | 12 | 84.7 Ų | 84.7 | 12% | 0.124 | 49% | 0.488 | C | S | . | . | trans | 178.4 | 137.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | G162 I163 K177 | G160-G162 PolarHBondContact O-N 2.7Å; G160-I163 WeakPolarHBondContact O-CB 3.4Å; G160-I163 VanDerWaalsContact O-CG2 3.32Å; G160-I163 WeakPolarHBondContact O-CG2 3.47Å; G160-I163 PolarHBondContact O-N 3.32Å; G160-K177 WeakPolarHBondContact CA-O 3.45Å | ||
| 161 | K | 72.7 | Confident | 63.9 | Low | 182 Ų | 182 | 83.7 Ų | 83.7 | 79% | 0.791 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 110.1 | -175.5 | -169.8 | 173.7 | -175.8 | 170 | 0 | 112 | I163 E179 | K161-I163 VanDerWaalsContact C-N 3.32Å; K161-E179 WeakPolarHBondContact CB-OE1 3.19Å; K161-E179 PolarHBondContact N-OE1 3.23Å |
| 162 | G | 74.2 | Confident | 65.3 | Low | 36 Ų | 36 | 85 Ų | 85 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 23.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G160 A164 F165 | G160-G162 PolarHBondContact O-N 2.7Å; G162-A164 PolarHBondContact O-N 3.47Å; G162-F165 PolarHBondContact O-N 3.37Å |
| 163 | I | 77.2 | Confident | 66.9 | Low | 24 Ų | 24 | 81.5 Ų | 81.5 | 12% | 0.123 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.8 | -179.8 | -166.4 | 168.4 | 0 | 0 | 0 | 113.2 | V158 G160 K161 A173 K177 T178 | V158-I163 HydrophobicContact CB-CD1 3.81Å; V158-I163 HydrophobicContact CG2-CD1 3.73Å; G160-I163 WeakPolarHBondContact O-CB 3.4Å; G160-I163 VanDerWaalsContact O-CG2 3.32Å; G160-I163 WeakPolarHBondContact O-CG2 3.47Å; G160-I163 PolarHBondContact O-N 3.32Å; K161-I163 VanDerWaalsContact C-N 3.32Å; I163-A173 HydrophobicContact CG1-CB 4.27Å; I163-K177 HydrophobicContact CB-CB 4.44Å; I163-K177 HydrophobicContact CG1-CB 4.48Å; I163-T178 WeakPolarHBondContact CD1-OG1 3.33Å |
| 164 | A | 71.7 | Confident | 68.5 | Low | 61 Ų | 61 | 83.4 Ų | 83.4 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 13.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | G162 G166 K167 | G162-A164 PolarHBondContact O-N 3.47Å; A164-G166 PolarHBondContact O-N 2.99Å; A164-G166 VanDerWaalsContact O-N 3.12Å; A164-K167 WeakPolarHBondContact O-CB 3.29Å; A164-K167 PolarHBondContact O-N 2.99Å |
| 165 | F | 77.4 | Confident | 69.6 | Low | 189 Ų | 189 | 90.2 Ų | 90.2 | 83% | 0.829 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 119 | -176.3 | -176.4 | -98 | 0 | 0 | 0 | 111.4 | G162 K167 | G162-F165 PolarHBondContact O-N 3.37Å; F165-K167 VanDerWaalsContact C-N 3.33Å |
| 166 | G | 80.9 | Confident | 70.8 | Confident | 75 Ų | 75 | 91 Ų | 91 | 77% | 0.773 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 7.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A164 | A164-G166 PolarHBondContact O-N 2.99Å; A164-G166 VanDerWaalsContact O-N 3.12Å |
| 167 | K | 78.3 | Confident | 71.8 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 44% | 0.443 | 53% | 0.528 | S | S | . | . | trans | -94.9 | 155.6 | 178.5 | -60.5 | -76.4 | -176.9 | 144.6 | 0 | 111.7 | A164 F165 Q171 E172 | A164-K167 WeakPolarHBondContact O-CB 3.29Å; A164-K167 PolarHBondContact O-N 2.99Å; F165-K167 VanDerWaalsContact C-N 3.33Å; K167-Q171 VanDerWaalsContact CA-OE1 3.22Å; K167-Q171 HydrophobicContact CB-CB 4.44Å; K167-Q171 HydrophobicContact CD-CB 4.02Å; K167-E172 PolarHBondContact NZ-O 3.09Å | ||
| 168 | K | 67.5 | Low | 72 | Confident | 154 Ų | 154 | 93.4 Ų | 93.4 | 67% | 0.67 | 53% | 0.533 | S | S | * | . | trans | -113.2 | 156.4 | 172.2 | -68.1 | -174.7 | -179.8 | -177.6 | 0 | 110.4 | G170 Q171 | K168-G170 PolarHBondContact O-N 2.91Å; K168-Q171 WeakPolarHBondContact O-CB 3.42Å; K168-Q171 WeakPolarHBondContact O-CG 3.5Å; K168-Q171 PolarHBondContact O-N 3.2Å | ||
| 169 | P | 71 | Confident | 72.2 | Confident | 140 Ų | 140 | 97.2 Ų | 97.2 | 91% | 0.909 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 129 | 173.2 | -27.4 | 35 | 0 | 0 | 0 | 111.7 | ||
| 170 | G | 70.3 | Confident | 71.9 | Confident | 90 Ų | 90 | 98.4 Ų | 98.4 | 93% | 0.928 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.4 | -0.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K168 | K168-G170 PolarHBondContact O-N 2.91Š|
| 171 | Q | 69.7 | Low | 71.4 | Confident | 103 Ų | 103 | 101.8 Ų | 101.8 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -96.3 | 141.7 | 172.4 | -63.3 | -177.5 | -22.3 | 0 | 0 | 111.4 | K167 K168 A173 | K167-Q171 VanDerWaalsContact CA-OE1 3.22Å; K167-Q171 HydrophobicContact CB-CB 4.44Å; K167-Q171 HydrophobicContact CD-CB 4.02Å; K168-Q171 WeakPolarHBondContact O-CB 3.42Å; K168-Q171 WeakPolarHBondContact O-CG 3.5Å; K168-Q171 PolarHBondContact O-N 3.2Å; Q171-A173 PolarHBondContact O-N 3.48Å |
| 172 | E | 71.9 | Confident | 70.7 | Confident | 173 Ų | 173 | 94 Ų | 94 | 81% | 0.808 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 133.1 | 177.8 | -72 | 176.9 | 174.1 | 0 | 0 | 112.1 | K167 | K167-E172 PolarHBondContact NZ-O 3.09Š|
| 173 | A | 70.3 | Confident | 69.9 | Low | 51 Ų | 51 | 95 Ų | 95 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -77 | 151 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I163 Q171 E175 | I163-A173 HydrophobicContact CG1-CB 4.27Å; Q171-A173 PolarHBondContact O-N 3.48Å; A173-E175 PolarHBondContact O-N 2.95Å |
| 174 | D | 75.3 | Confident | 69 | Low | 64 Ų | 64 | 94.3 Ų | 94.3 | 34% | 0.342 | 53% | 0.533 | S | S | . | . | trans | -82.3 | 100.4 | 178.1 | -177.9 | -3.8 | 0 | 0 | 0 | 109.9 | S176 K177 | D174-S176 PolarHBondContact O-N 3.05Å; D174-S176 VanDerWaalsContact O-N 3.09Å; D174-S176 WeakPolarHBondContact OD1-CB 3.44Å; D174-S176 PolarHBondContact OD1-N 3.41Å; D174-S176 PolarHBondContact OD1-OG 3.5Å; D174-K177 HydrophobicContact CB-CD 4.37Å; D174-K177 HydrophobicContact CB-CG 4.45Å; D174-K177 PolarHBondContact O-N 2.84Å; D174-K177 WeakPolarHBondContact OD2-CE 3.49Å | ||
| 175 | E | 68 | Low | 68.2 | Low | 162 Ų | 162 | 94.9 Ų | 94.9 | 76% | 0.757 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -55.5 | -27.4 | -178.2 | -72.7 | -175.8 | 172 | 0 | 0 | 113.5 | A173 K177 T178 | A173-E175 PolarHBondContact O-N 2.95Å; E175-K177 PolarHBondContact O-N 3.3Å; E175-T178 WeakPolarHBondContact O-CB 3.42Å; E175-T178 PolarHBondContact O-N 3.15Å; E175-T178 VanDerWaalsContact O-N 3.12Å; E175-T178 PolarHBondContact O-OG1 3.18Å |
| 176 | S | 73.8 | Confident | 67.3 | Low | 102 Ų | 102 | 88.7 Ų | 88.7 | 71% | 0.713 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -69.4 | -15.9 | 179.9 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | D174 | D174-S176 PolarHBondContact O-N 3.05Å; D174-S176 VanDerWaalsContact O-N 3.09Å; D174-S176 WeakPolarHBondContact OD1-CB 3.44Å; D174-S176 PolarHBondContact OD1-N 3.41Å; D174-S176 PolarHBondContact OD1-OG 3.5Å |
| 177 | K | 74.6 | Confident | 66.2 | Low | 91 Ų | 91 | 92.1 Ų | 92.1 | 40% | 0.396 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -97.6 | -1.8 | 175.8 | -64 | -176.8 | -176.4 | 173 | 0 | 112.9 | G160 I163 D174 E175 E179 | G160-K177 WeakPolarHBondContact CA-O 3.45Å; I163-K177 HydrophobicContact CB-CB 4.44Å; I163-K177 HydrophobicContact CG1-CB 4.48Å; D174-K177 HydrophobicContact CB-CD 4.37Å; D174-K177 HydrophobicContact CB-CG 4.45Å; D174-K177 PolarHBondContact O-N 2.84Å; D174-K177 WeakPolarHBondContact OD2-CE 3.49Å; E175-K177 PolarHBondContact O-N 3.3Å; K177-E179 PolarHBondContact O-N 3.03Å |
| 178 | T | 67 | Low | 65.4 | Low | 43 Ų | 43 | 93.8 Ų | 93.8 | 26% | 0.264 | 51% | 0.508 | S | S | . | . | trans | -70.2 | 114 | 177.9 | -55.3 | 0 | 0 | 0 | 0 | 109.6 | V158 I163 E175 V181 | V158-T178 HydrophobicContact CB-CG2 3.98Å; V158-T178 HydrophobicContact CG1-CG2 3.88Å; I163-T178 WeakPolarHBondContact CD1-OG1 3.33Å; E175-T178 WeakPolarHBondContact O-CB 3.42Å; E175-T178 PolarHBondContact O-N 3.15Å; E175-T178 VanDerWaalsContact O-N 3.12Å; E175-T178 PolarHBondContact O-OG1 3.18Å; T178-V181 HydrophobicContact CG2-CG2 3.65Å | ||
| 179 | E | 68.1 | Low | 65.2 | Low | 128 Ų | 128 | 87.4 Ų | 87.4 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | trans | -91.7 | -37.9 | 176.8 | -69.6 | 166.9 | -157.9 | 0 | 0 | 111.2 | K159 K161 K177 | K159-E179 PolarHBondContact O-N 3.48Å; K161-E179 WeakPolarHBondContact CB-OE1 3.19Å; K161-E179 PolarHBondContact N-OE1 3.23Å; K177-E179 PolarHBondContact O-N 3.03Å | ||
| 180 | K | 57.7 | Low | 64.9 | Low | 84 Ų | 84 | 81 Ų | 81 | 37% | 0.365 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 148.2 | 177.2 | -79.3 | -173.1 | 174.2 | -175.7 | 0 | 111.4 | V158 K159 F182 | V158-K180 WeakPolarHBondContact CA-O 3.47Å; K159-K180 HydrophobicContact CB-CB 4.43Å; K159-K180 PolarHBondContact N-O 3.4Å; K159-K180 PolarHBondContact O-N 2.73Å; K159-K180 VanDerWaalsContact O-N 3.12Å; K180-F182 HydrophobicContact CB-CE2 4.28Å |
| 181 | V | 62 | Low | 64.8 | Low | 83 Ų | 83 | 84.9 Ų | 84.9 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.2 | 178.3 | -175 | 0 | 0 | 0 | 0 | 108.5 | I156 V158 T178 | I156-V181 HydrophobicContact CB-CG1 3.97Å; I156-V181 HydrophobicContact CD1-CG1 3.9Å; I156-V181 HydrophobicContact CG1-CG1 4.46Å; I156-V181 HydrophobicContact CG2-CG1 4.13Å; V158-V181 HydrophobicContact CG1-CB 4.42Å; V158-V181 HydrophobicContact CG1-CG1 4.14Å; V158-V181 HydrophobicContact CG1-CG2 4.06Å; T178-V181 HydrophobicContact CG2-CG2 3.65Å |
| 182 | F | 57 | Low | 64.7 | Low | 20 Ų | 20 | 83.5 Ų | 83.5 | 9% | 0.088 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.7 | 175.5 | -61.1 | -89.3 | 0 | 0 | 0 | 109.8 | I156 I157 K159 K180 Y193 E209 | I156-F182 VanDerWaalsContact CA-O 3.29Å; I156-F182 WeakPolarHBondContact CA-O 3.45Å; I157-F182 HydrophobicContact CB-CB 4.19Å; I157-F182 HydrophobicContact CG2-CD2 4.32Å; I157-F182 PolarHBondContact N-O 2.84Å; I157-F182 WeakPolarHBondContact O-CD2 3.31Å; I157-F182 PolarHBondContact O-N 2.78Å; K159-F182 HydrophobicContact CB-CE2 4.33Å; K180-F182 HydrophobicContact CB-CE2 4.28Å; F182-Y193 HydrophobicContact CD1-CE1 4.35Å; F182-Y193 HydrophobicContact CG-CE1 4.32Å; F182-E209 HydrophobicContact CE1-CG 4.44Å |
| 183 | T | 57.4 | Low | 64.5 | Low | 56 Ų | 56 | 75.3 Ų | 75.3 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.3 | 171.5 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | I156 | I156-T183 HydrophobicContact CG2-CG2 3.41Å; I156-T183 VanDerWaalsContact CG2-CG2 3.41Å |
| 184 | L | 58.9 | Low | 64.5 | Low | 9 Ų | 9 | 77 Ų | 77 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | trans | -117.3 | 149 | 174.8 | -63.6 | 165.2 | 0 | 0 | 0 | 109.3 | T186 T189 I190 Y193 D225 | L184-T186 VanDerWaalsContact C-N 3.33Å; L184-T186 PolarHBondContact O-N 2.76Å; L184-T189 HydrophobicContact CB-CG2 4.09Å; L184-T189 HydrophobicContact CD1-CG2 4.26Å; L184-T189 HydrophobicContact CD2-CG2 4.28Å; L184-T189 HydrophobicContact CG-CG2 4.44Å; L184-I190 HydrophobicContact CB-CD1 4.46Å; L184-I190 HydrophobicContact CB-CG1 3.62Å; L184-I190 HydrophobicContact CD1-CG1 4.13Å; L184-I190 HydrophobicContact CG-CG1 4.39Å; L184-Y193 HydrophobicContact CD1-CD1 3.62Å; L184-Y193 HydrophobicContact CD1-CE1 4.49Å; L184-Y193 HydrophobicContact CD1-CG 3.78Å; L184-D225 HydrophobicContact CD2-CB 3.81Å | ||
| 185 | D | 55.8 | Low | 64.3 | Low | 73 Ų | 73 | 78.2 Ų | 78.2 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -67.4 | -24.9 | -165.7 | -69.8 | -32.9 | 0 | 0 | 0 | 115.2 | G126 | G126-D185 WeakPolarHBondContact CA-O 3.43Å; G126-D185 PolarHBondContact N-O 2.91Å |
| 186 | T | 58.1 | Low | 64.5 | Low | 59 Ų | 59 | 72 Ų | 72 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -137.6 | 150 | -178.5 | 81.8 | 0 | 0 | 0 | 0 | 113 | L184 E188 T189 I190 | L184-T186 VanDerWaalsContact C-N 3.33Å; L184-T186 PolarHBondContact O-N 2.76Å; T186-E188 PolarHBondContact O-N 3.23Å; T186-T189 WeakPolarHBondContact O-CB 3.3Å; T186-T189 PolarHBondContact O-N 2.97Å; T186-T189 VanDerWaalsContact O-N 3.15Å; T186-T189 WeakPolarHBondContact OG1-CB 3.32Å; T186-T189 PolarHBondContact OG1-N 3.13Å; T186-T189 PolarHBondContact OG1-OG1 2.97Å; T186-I190 WeakPolarHBondContact O-CG1 3.36Å; T186-I190 PolarHBondContact O-N 3.34Å |
| 187 | K | 58.1 | Low | 64.5 | Low | 147 Ų | 147 | 69 Ų | 69 | 64% | 0.639 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.4 | -33.3 | 175.7 | -77.5 | -169.1 | 172.8 | -164.3 | 0 | 113.4 | E155 R191 | E155-K187 VanDerWaalsContact OE1-CE 3.24Å; E155-K187 WeakPolarHBondContact OE1-CE 3.29Å; E155-K187 IonicContact OE1-NZ 3.03Å; E155-K187 PolarHBondContact OE1-NZ 3.31Å; K187-R191 WeakPolarHBondContact O-CB 3.49Å; K187-R191 PolarHBondContact O-N 2.87Å |
| 188 | E | 61.9 | Low | 64.4 | Low | 138 Ų | 138 | 72.4 Ų | 72.4 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69 | -45.7 | 177.9 | -172.7 | 168.6 | -172.9 | 0 | 0 | 111 | T186 I190 R191 Q192 | T186-E188 PolarHBondContact O-N 3.23Å; E188-I190 VanDerWaalsContact C-N 3.33Å; E188-I190 PolarHBondContact O-N 2.65Å; E188-R191 PolarHBondContact O-N 2.85Å; E188-Q192 WeakPolarHBondContact O-CB 3.35Å; E188-Q192 WeakPolarHBondContact O-CG 3.33Å; E188-Q192 PolarHBondContact O-N 3.37Å |
| 189 | T | 63 | Low | 64.8 | Low | 20 Ų | 20 | 78.8 Ų | 78.8 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 172.9 | -48.1 | 0 | 0 | 0 | 0 | 110.7 | L184 T186 R191 Q192 Y193 I229 | L184-T189 HydrophobicContact CB-CG2 4.09Å; L184-T189 HydrophobicContact CD1-CG2 4.26Å; L184-T189 HydrophobicContact CD2-CG2 4.28Å; L184-T189 HydrophobicContact CG-CG2 4.44Å; T186-T189 WeakPolarHBondContact O-CB 3.3Å; T186-T189 PolarHBondContact O-N 2.97Å; T186-T189 VanDerWaalsContact O-N 3.15Å; T186-T189 WeakPolarHBondContact OG1-CB 3.32Å; T186-T189 PolarHBondContact OG1-N 3.13Å; T186-T189 PolarHBondContact OG1-OG1 2.97Å; T189-R191 PolarHBondContact O-N 2.87Å; T189-Q192 PolarHBondContact O-N 2.87Å; T189-Y193 WeakPolarHBondContact O-CB 3.19Å; T189-Y193 PolarHBondContact O-N 3.37Å; T189-I229 HydrophobicContact CG2-CD1 3.36Å; T189-I229 HydrophobicContact CG2-CG1 4.39Å; T189-I229 WeakPolarHBondContact O-CD1 3.37Å |
| 190 | I | 64.6 | Low | 65.6 | Low | 5 Ų | 5 | 73.4 Ų | 73.4 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 177.4 | -66.4 | 163.8 | 0 | 0 | 0 | 111.4 | E155 I157 L184 T186 E188 Y193 Q194 | E155-I190 HydrophobicContact CB-CD1 3.5Å; E155-I190 VanDerWaalsContact CB-CD1 3.5Å; E155-I190 HydrophobicContact CB-CG2 4.18Å; E155-I190 WeakPolarHBondContact O-CD1 3.48Å; I157-I190 HydrophobicContact CD1-CG2 4.07Å; I157-I190 HydrophobicContact CG1-CG2 4.37Å; L184-I190 HydrophobicContact CB-CD1 4.46Å; L184-I190 HydrophobicContact CB-CG1 3.62Å; L184-I190 HydrophobicContact CD1-CG1 4.13Å; L184-I190 HydrophobicContact CG-CG1 4.39Å; T186-I190 WeakPolarHBondContact O-CG1 3.36Å; T186-I190 PolarHBondContact O-N 3.34Å; E188-I190 VanDerWaalsContact C-N 3.33Å; E188-I190 PolarHBondContact O-N 2.65Å; I190-Y193 PolarHBondContact O-N 3.05Å; I190-Q194 WeakPolarHBondContact O-CG 3.33Å; I190-Q194 PolarHBondContact O-N 2.76Å |
| 191 | R | 66.6 | Low | 66.7 | Low | 171 Ų | 171 | 72.2 Ų | 72.2 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | -179.7 | -170.6 | 177.6 | -177.6 | 175 | 1 | 112 | K187 E188 T189 Y193 Q194 D195 | K187-R191 WeakPolarHBondContact O-CB 3.49Å; K187-R191 PolarHBondContact O-N 2.87Å; E188-R191 PolarHBondContact O-N 2.85Å; T189-R191 PolarHBondContact O-N 2.87Å; R191-Y193 VanDerWaalsContact C-N 3.28Å; R191-Y193 PolarHBondContact O-N 3.17Å; R191-Q194 WeakPolarHBondContact O-CB 3.18Å; R191-Q194 PolarHBondContact O-N 3.45Å; R191-D195 PolarHBondContact O-N 2.88Å |
| 192 | Q | 67.7 | Low | 67.5 | Low | 75 Ų | 75 | 73.5 Ų | 73.5 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 174.5 | -73.9 | 175.3 | -5.7 | 0 | 0 | 111.4 | E188 T189 D195 I196 I229 | E188-Q192 WeakPolarHBondContact O-CB 3.35Å; E188-Q192 WeakPolarHBondContact O-CG 3.33Å; E188-Q192 PolarHBondContact O-N 3.37Å; T189-Q192 PolarHBondContact O-N 2.87Å; Q192-D195 PolarHBondContact O-N 3.47Å; Q192-I196 WeakPolarHBondContact O-CB 3.4Å; Q192-I196 VanDerWaalsContact O-CG1 3.27Å; Q192-I196 WeakPolarHBondContact O-CG1 3.38Å; Q192-I196 PolarHBondContact O-N 2.9Å; Q192-I196 VanDerWaalsContact O-N 3.11Å; Q192-I229 HydrophobicContact CB-CD1 3.93Å; Q192-I229 HydrophobicContact CB-CG2 4.47Å |
| 193 | Y | 69.2 | Low | 68.8 | Low | 1 Ų | 1 | 77.7 Ų | 77.7 | 0% | 0.004 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176 | -168 | -126.7 | 0 | 0 | 0 | 112.5 | I157 F182 L184 T189 I190 R191 I196 I197 H228 I229 | I157-Y193 HydrophobicContact CD1-CD1 3.54Å; I157-Y193 HydrophobicContact CD1-CE1 4.26Å; F182-Y193 HydrophobicContact CD1-CE1 4.35Å; F182-Y193 HydrophobicContact CG-CE1 4.32Å; L184-Y193 HydrophobicContact CD1-CD1 3.62Å; L184-Y193 HydrophobicContact CD1-CE1 4.49Å; L184-Y193 HydrophobicContact CD1-CG 3.78Å; T189-Y193 WeakPolarHBondContact O-CB 3.19Å; T189-Y193 PolarHBondContact O-N 3.37Å; I190-Y193 PolarHBondContact O-N 3.05Å; R191-Y193 VanDerWaalsContact C-N 3.28Å; R191-Y193 PolarHBondContact O-N 3.17Å; Y193-I196 PolarHBondContact O-N 3.27Å; Y193-I197 HydrophobicContact CD1-CD1 3.5Å; Y193-I197 VanDerWaalsContact CD1-CD1 3.5Å; Y193-I197 HydrophobicContact CD1-CG1 4.41Å; Y193-I197 HydrophobicContact CD2-CD1 4.17Å; Y193-I197 HydrophobicContact CD2-CG1 4.29Å; Y193-I197 HydrophobicContact CE1-CD1 3.13Å; Y193-I197 HydrophobicContact CE1-CG1 4.2Å; Y193-I197 HydrophobicContact CE2-CD1 3.84Å; Y193-I197 HydrophobicContact CE2-CG1 4.03Å; Y193-I197 HydrophobicContact CG-CD1 4.01Å; Y193-I197 HydrophobicContact CG-CG1 4.47Å; Y193-I197 WeakPolarHBondContact O-CB 3.48Å; Y193-I197 WeakPolarHBondContact O-CG1 3.35Å; Y193-I197 PolarHBondContact O-N 2.87Å; Y193-H228 HydrophobicContact CD2-CB 4.48Å; Y193-H228 HydrophobicContact CE2-CB 4Å; Y193-H228 VanDerWaalsContact CE2-O 3.3Å; Y193-H228 WeakPolarHBondContact CE2-O 3.48Å; Y193-I229 HydrophobicContact CD2-CG1 3.85Å; Y193-I229 HydrophobicContact CG-CG1 4.18Å |
| 194 | Q | 69.4 | Low | 70.2 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 173.7 | -74.8 | 173.3 | -5.1 | 0 | 0 | 111.8 | I157 I190 R191 I196 I197 M198 | I157-Q194 HydrophobicContact CD1-CG 3.75Å; I157-Q194 HydrophobicContact CG1-CG 4.18Å; I190-Q194 WeakPolarHBondContact O-CG 3.33Å; I190-Q194 PolarHBondContact O-N 2.76Å; R191-Q194 WeakPolarHBondContact O-CB 3.18Å; R191-Q194 PolarHBondContact O-N 3.45Å; Q194-I196 VanDerWaalsContact C-N 3.28Å; Q194-I196 PolarHBondContact O-N 2.87Å; Q194-I197 PolarHBondContact O-N 2.96Å; Q194-M198 VanDerWaalsContact O-CG 3.28Å; Q194-M198 WeakPolarHBondContact O-CG 3.39Å; Q194-M198 PolarHBondContact O-N 3.45Å; Q194-M198 VanDerWaalsContact O-N 3.09Å |
| 195 | D | 72 | Confident | 71.4 | Confident | 90 Ų | 90 | 76.1 Ų | 76.1 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | -179.4 | -68.8 | -24.6 | 0 | 0 | 0 | 110.7 | R191 Q192 | R191-D195 PolarHBondContact O-N 2.88Å; Q192-D195 PolarHBondContact O-N 3.47Å |
| 196 | I | 72.2 | Confident | 72.9 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 16% | 0.159 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.3 | -44.7 | 178.9 | -70.1 | 172.3 | 0 | 0 | 0 | 112.2 | Q192 Y193 Q194 M198 E199 I200 I229 D233 | Q192-I196 WeakPolarHBondContact O-CB 3.4Å; Q192-I196 VanDerWaalsContact O-CG1 3.27Å; Q192-I196 WeakPolarHBondContact O-CG1 3.38Å; Q192-I196 PolarHBondContact O-N 2.9Å; Q192-I196 VanDerWaalsContact O-N 3.11Å; Y193-I196 PolarHBondContact O-N 3.27Å; Q194-I196 VanDerWaalsContact C-N 3.28Å; Q194-I196 PolarHBondContact O-N 2.87Å; I196-M198 PolarHBondContact O-N 3.45Å; I196-E199 PolarHBondContact O-N 3.5Å; I196-E199 VanDerWaalsContact O-N 3.16Å; I196-I200 HydrophobicContact CG2-CD1 3.3Å; I196-I200 HydrophobicContact CG2-CG1 4.2Å; I196-I200 VanDerWaalsContact O-CG1 3.3Å; I196-I200 WeakPolarHBondContact O-CG1 3.49Å; I196-I200 PolarHBondContact O-N 2.91Å; I196-I200 VanDerWaalsContact O-N 3.13Å; I196-I229 HydrophobicContact CD1-CB 4.49Å; I196-I229 HydrophobicContact CD1-CG2 3.37Å; I196-D233 HydrophobicContact CD1-CB 4.26Å |
| 197 | I | 73 | Confident | 74.4 | Confident | 40 Ų | 40 | 74.1 Ų | 74.1 | 21% | 0.205 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.4 | -35.1 | 177.3 | -78.8 | 174.8 | 0 | 0 | 0 | 111.5 | Y193 Q194 E199 I205 | Y193-I197 HydrophobicContact CD1-CD1 3.5Å; Y193-I197 VanDerWaalsContact CD1-CD1 3.5Å; Y193-I197 HydrophobicContact CD1-CG1 4.41Å; Y193-I197 HydrophobicContact CD2-CD1 4.17Å; Y193-I197 HydrophobicContact CD2-CG1 4.29Å; Y193-I197 HydrophobicContact CE1-CD1 3.13Å; Y193-I197 HydrophobicContact CE1-CG1 4.2Å; Y193-I197 HydrophobicContact CE2-CD1 3.84Å; Y193-I197 HydrophobicContact CE2-CG1 4.03Å; Y193-I197 HydrophobicContact CG-CD1 4.01Å; Y193-I197 HydrophobicContact CG-CG1 4.47Å; Y193-I197 WeakPolarHBondContact O-CB 3.48Å; Y193-I197 WeakPolarHBondContact O-CG1 3.35Å; Y193-I197 PolarHBondContact O-N 2.87Å; Q194-I197 PolarHBondContact O-N 2.96Å; I197-E199 PolarHBondContact O-N 3.2Å; I197-I205 HydrophobicContact CB-CD1 4.12Å; I197-I205 HydrophobicContact CG1-CD1 3.89Å; I197-I205 HydrophobicContact CG1-CG1 4.4Å; I197-I205 HydrophobicContact CG2-CD1 3.82Å |
| 198 | M | 73.8 | Confident | 76.1 | Confident | 162 Ų | 162 | 67.1 Ų | 67.1 | 80% | 0.798 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.7 | -22.6 | -178.6 | -75.4 | -176.1 | 70.2 | 0 | 0 | 113.4 | Q194 I196 | Q194-M198 VanDerWaalsContact O-CG 3.28Å; Q194-M198 WeakPolarHBondContact O-CG 3.39Å; Q194-M198 PolarHBondContact O-N 3.45Å; Q194-M198 VanDerWaalsContact O-N 3.09Å; I196-M198 PolarHBondContact O-N 3.45Å |
| 199 | E | 75.4 | Confident | 77.3 | Confident | 178 Ų | 178 | 62.2 Ų | 62.2 | 83% | 0.832 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -101.8 | -19.2 | -178.5 | -62.8 | -170.3 | 166.2 | 0 | 0 | 113.2 | I196 I197 | I196-E199 PolarHBondContact O-N 3.5Å; I196-E199 VanDerWaalsContact O-N 3.16Å; I197-E199 PolarHBondContact O-N 3.2Å |
| 200 | I | 82.9 | Confident | 78.7 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -97.9 | 143.7 | -176.9 | -63 | -179.8 | 0 | 0 | 0 | 110.7 | I196 I204 I205 T232 S236 | I196-I200 HydrophobicContact CG2-CD1 3.3Å; I196-I200 HydrophobicContact CG2-CG1 4.2Å; I196-I200 VanDerWaalsContact O-CG1 3.3Å; I196-I200 WeakPolarHBondContact O-CG1 3.49Å; I196-I200 PolarHBondContact O-N 2.91Å; I196-I200 VanDerWaalsContact O-N 3.13Å; I200-I204 HydrophobicContact CG2-CB 3.62Å; I200-I204 HydrophobicContact CG2-CD1 4.24Å; I200-I204 HydrophobicContact CG2-CG2 3.57Å; I200-I205 HydrophobicContact CB-CG1 4.43Å; I200-I205 HydrophobicContact CG2-CG1 3.98Å; I200-T232 HydrophobicContact CD1-CG2 3.79Å; I200-T232 HydrophobicContact CG2-CG2 4.35Å; I200-S236 VanDerWaalsContact CD1-CB 3.49Å |
| 201 | S | 81.6 | Confident | 80.1 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | trans | -68.3 | 146.5 | 178.2 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | D203 I204 I205 | S201-D203 PolarHBondContact O-N 3.44Å; S201-D203 VanDerWaalsContact O-N 3.15Å; S201-I204 PolarHBondContact O-N 3.17Å; S201-I204 WeakPolarHBondContact OG-CD1 3.25Å; S201-I204 VanDerWaalsContact OG-CG1 3.29Å; S201-I204 WeakPolarHBondContact OG-CG1 2.91Å; S201-I205 PolarHBondContact O-N 3.47Å | ||
| 202 | D | 79.1 | Confident | 81.4 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -52.6 | -37.6 | 177.8 | -74.4 | -30.5 | 0 | 0 | 0 | 112.6 | I204 I205 E206 | D202-I204 PolarHBondContact O-N 3.25Å; D202-I205 PolarHBondContact O-N 3.16Å; D202-E206 WeakPolarHBondContact O-CB 3.27Å; D202-E206 PolarHBondContact O-N 2.54Å |
| 203 | D | 84.8 | Confident | 82.5 | Confident | 109 Ų | 109 | 58.7 Ų | 58.7 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.9 | -40.3 | 178.6 | -68.1 | -3.4 | 0 | 0 | 0 | 112 | S201 E206 L207 | S201-D203 PolarHBondContact O-N 3.44Å; S201-D203 VanDerWaalsContact O-N 3.15Å; D203-E206 PolarHBondContact O-N 3.23Å; D203-L207 WeakPolarHBondContact O-CB 3.49Å; D203-L207 PolarHBondContact O-N 2.96Å |
| 204 | I | 87 | Confident | 83.6 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72 | -39 | 179.9 | -66.5 | 171.1 | 0 | 0 | 0 | 110.9 | I200 S201 D202 E206 L207 T208 I235 L239 | I200-I204 HydrophobicContact CG2-CB 3.62Å; I200-I204 HydrophobicContact CG2-CD1 4.24Å; I200-I204 HydrophobicContact CG2-CG2 3.57Å; S201-I204 PolarHBondContact O-N 3.17Å; S201-I204 WeakPolarHBondContact OG-CD1 3.25Å; S201-I204 VanDerWaalsContact OG-CG1 3.29Å; S201-I204 WeakPolarHBondContact OG-CG1 2.91Å; D202-I204 PolarHBondContact O-N 3.25Å; I204-E206 VanDerWaalsContact C-N 3.31Å; I204-E206 PolarHBondContact O-N 3.46Å; I204-L207 PolarHBondContact O-N 3.45Å; I204-T208 WeakPolarHBondContact O-CB 3.46Å; I204-T208 PolarHBondContact O-N 3.46Å; I204-T208 PolarHBondContact O-OG1 3.37Å; I204-I235 HydrophobicContact CG2-CG2 4Å; I204-L239 HydrophobicContact CD1-CD1 3.75Å; I204-L239 HydrophobicContact CG1-CD1 3.7Å |
| 205 | I | 83.5 | Confident | 84.7 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 177.1 | -64.1 | 161.7 | 0 | 0 | 0 | 109.7 | I197 I200 S201 D202 T208 E209 T232 | I197-I205 HydrophobicContact CB-CD1 4.12Å; I197-I205 HydrophobicContact CG1-CD1 3.89Å; I197-I205 HydrophobicContact CG1-CG1 4.4Å; I197-I205 HydrophobicContact CG2-CD1 3.82Å; I200-I205 HydrophobicContact CB-CG1 4.43Å; I200-I205 HydrophobicContact CG2-CG1 3.98Å; S201-I205 PolarHBondContact O-N 3.47Å; D202-I205 PolarHBondContact O-N 3.16Å; I205-T208 PolarHBondContact O-N 2.58Å; I205-E209 WeakPolarHBondContact O-CB 3.44Å; I205-E209 PolarHBondContact O-N 2.91Å; I205-T232 HydrophobicContact CG1-CG2 4.25Å |
| 206 | E | 86.2 | Confident | 85.5 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 179.5 | -166.3 | 155.3 | 163.7 | 0 | 0 | 112.3 | K159 D202 D203 I204 T208 E209 E210 | K159-E206 IonicContact NZ-OE2 3.86Å; K159-E206 PolarHBondContact NZ-OE2 2.9Å; D202-E206 WeakPolarHBondContact O-CB 3.27Å; D202-E206 PolarHBondContact O-N 2.54Å; D203-E206 PolarHBondContact O-N 3.23Å; I204-E206 VanDerWaalsContact C-N 3.31Å; I204-E206 PolarHBondContact O-N 3.46Å; E206-T208 VanDerWaalsContact C-N 3.32Å; E206-T208 PolarHBondContact O-N 3.34Å; E206-E209 PolarHBondContact O-N 2.99Å; E206-E210 WeakPolarHBondContact O-CG 3.21Å; E206-E210 PolarHBondContact O-N 2.65Å; E206-E210 VanDerWaalsContact O-N 3.11Å |
| 207 | L | 91.7 | Very high | 86.4 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 172.9 | 173.6 | 63.8 | 0 | 0 | 0 | 112 | D203 I204 E209 E210 I211 M273 I274 H277 | D203-L207 WeakPolarHBondContact O-CB 3.49Å; D203-L207 PolarHBondContact O-N 2.96Å; I204-L207 PolarHBondContact O-N 3.45Å; L207-E209 VanDerWaalsContact C-N 3.31Å; L207-E209 PolarHBondContact O-N 3.21Å; L207-E210 PolarHBondContact O-N 3.19Å; L207-I211 HydrophobicContact CD1-CD1 4.07Å; L207-I211 HydrophobicContact CD1-CG1 4.47Å; L207-I211 HydrophobicContact CG-CD1 3.98Å; L207-I211 VanDerWaalsContact O-CG1 3.32Å; L207-I211 WeakPolarHBondContact O-CG1 3.3Å; L207-I211 PolarHBondContact O-N 3.46Å; L207-M273 HydrophobicContact CD1-CB 4.39Å; L207-I274 HydrophobicContact CD2-CG1 4.2Å; L207-H277 HydrophobicContact CD1-CB 3.81Å; L207-H277 HydrophobicContact CD2-CB 3.88Å; L207-H277 HydrophobicContact CG-CB 4.4Å |
| 208 | T | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -38.1 | -178.6 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | I204 I205 E206 I211 I212 L231 T232 I235 | I204-T208 WeakPolarHBondContact O-CB 3.46Å; I204-T208 PolarHBondContact O-N 3.46Å; I204-T208 PolarHBondContact O-OG1 3.37Å; I205-T208 PolarHBondContact O-N 2.58Å; E206-T208 VanDerWaalsContact C-N 3.32Å; E206-T208 PolarHBondContact O-N 3.34Å; T208-I211 WeakPolarHBondContact O-CB 3.45Å; T208-I211 PolarHBondContact O-N 2.8Å; T208-I212 HydrophobicContact CG2-CD1 3.85Å; T208-I212 HydrophobicContact CG2-CG1 4.32Å; T208-I212 VanDerWaalsContact O-CG1 3.31Å; T208-I212 WeakPolarHBondContact O-CG1 3.5Å; T208-I212 PolarHBondContact O-N 3.38Å; T208-L231 HydrophobicContact CG2-CB 4.21Å; T208-L231 HydrophobicContact CG2-CD2 4.29Å; T208-L231 HydrophobicContact CG2-CG 4Å; T208-T232 WeakPolarHBondContact CG2-OG1 3.3Å; T208-I235 HydrophobicContact CG2-CD1 3.91Å; T208-I235 WeakPolarHBondContact OG1-CD1 3.29Å |
| 209 | E | 87.5 | Confident | 87.7 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.6 | -171.8 | 62.8 | -170.8 | 0 | 0 | 112 | F182 I205 E206 L207 I211 I212 E213 H228 | F182-E209 HydrophobicContact CE1-CG 4.44Å; I205-E209 WeakPolarHBondContact O-CB 3.44Å; I205-E209 PolarHBondContact O-N 2.91Å; E206-E209 PolarHBondContact O-N 2.99Å; L207-E209 VanDerWaalsContact C-N 3.31Å; L207-E209 PolarHBondContact O-N 3.21Å; E209-I211 VanDerWaalsContact C-N 3.26Å; E209-I211 PolarHBondContact O-N 3.45Å; E209-I212 PolarHBondContact O-N 3.38Å; E209-E213 WeakPolarHBondContact O-CB 3.31Å; E209-E213 PolarHBondContact O-N 3.25Å; E209-H228 IonicContact OE1-CE1 3.51Å; E209-H228 IonicContact OE2-CE1 2.76Å; E209-H228 PolarHBondContact OE2-CE1 3.42Å; E209-H228 IonicContact OE2-ND1 2.54Å; E209-H228 PolarHBondContact OE2-ND1 3.04Å |
| 210 | E | 91.8 | Very high | 87.9 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 41% | 0.407 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 174.9 | -69.1 | -179.5 | -175.5 | 0 | 0 | 111.4 | E206 L207 E213 V214 M273 | E206-E210 WeakPolarHBondContact O-CG 3.21Å; E206-E210 PolarHBondContact O-N 2.65Å; E206-E210 VanDerWaalsContact O-N 3.11Å; L207-E210 PolarHBondContact O-N 3.19Å; E210-E213 PolarHBondContact O-N 3.05Å; E210-V214 WeakPolarHBondContact O-CG2 3.22Å; E210-V214 PolarHBondContact O-N 3.05Å; E210-M273 HydrophobicContact CB-CE 3.77Å |
| 211 | I | 95.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -46 | 175.6 | -71.6 | 167.1 | 0 | 0 | 0 | 110.9 | L207 T208 E209 E213 V214 I215 L231 I235 A270 M273 I274 | L207-I211 HydrophobicContact CD1-CD1 4.07Å; L207-I211 HydrophobicContact CD1-CG1 4.47Å; L207-I211 HydrophobicContact CG-CD1 3.98Å; L207-I211 VanDerWaalsContact O-CG1 3.32Å; L207-I211 WeakPolarHBondContact O-CG1 3.3Å; L207-I211 PolarHBondContact O-N 3.46Å; T208-I211 WeakPolarHBondContact O-CB 3.45Å; T208-I211 PolarHBondContact O-N 2.8Å; E209-I211 VanDerWaalsContact C-N 3.26Å; E209-I211 PolarHBondContact O-N 3.45Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 3.02Å; I211-V214 PolarHBondContact O-N 3.12Å; I211-I215 HydrophobicContact CG2-CD1 3.71Å; I211-I215 HydrophobicContact CG2-CG1 4.44Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.39Å; I211-I215 PolarHBondContact O-N 3.18Å; I211-L231 HydrophobicContact CG2-CD2 3.84Å; I211-I235 HydrophobicContact CD1-CD1 3.73Å; I211-A270 HydrophobicContact CD1-CB 4.44Å; I211-A270 HydrophobicContact CG1-CB 4.35Å; I211-A270 HydrophobicContact CG2-CB 3.51Å; I211-M273 HydrophobicContact CG1-CB 4.18Å; I211-M273 HydrophobicContact CG1-CE 4.03Å; I211-M273 HydrophobicContact CG1-SD 4.02Å; I211-I274 HydrophobicContact CD1-CD1 4.13Å; I211-I274 HydrophobicContact CD1-CG1 3.63Å |
| 212 | I | 92.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64 | -38.6 | 179.2 | -67.9 | 166.4 | 0 | 0 | 0 | 110.7 | T208 E209 I215 K216 I227 H228 L231 | T208-I212 HydrophobicContact CG2-CD1 3.85Å; T208-I212 HydrophobicContact CG2-CG1 4.32Å; T208-I212 VanDerWaalsContact O-CG1 3.31Å; T208-I212 WeakPolarHBondContact O-CG1 3.5Å; T208-I212 PolarHBondContact O-N 3.38Å; E209-I212 PolarHBondContact O-N 3.38Å; I212-I215 PolarHBondContact O-N 3.06Å; I212-K216 HydrophobicContact CG2-CD 3.94Å; I212-K216 HydrophobicContact CG2-CG 4.2Å; I212-K216 WeakPolarHBondContact O-CB 3.46Å; I212-K216 WeakPolarHBondContact O-CG 3.32Å; I212-K216 PolarHBondContact O-N 3.03Å; I212-I227 HydrophobicContact CD1-CG2 4.17Å; I212-I227 HydrophobicContact CG1-CG2 4.29Å; I212-I227 HydrophobicContact CG2-CG2 3.94Å; I212-H228 HydrophobicContact CD1-CB 4.18Å; I212-H228 WeakPolarHBondContact CD1-ND1 3.16Å; I212-L231 HydrophobicContact CG1-CD2 3.86Å |
| 213 | E | 90.9 | Very high | 87.8 | Confident | 109 Ų | 109 | 58.2 Ų | 58.2 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 174.9 | -173.3 | 171.2 | -173.1 | 0 | 0 | 111.6 | E209 E210 I211 I215 K216 N217 | E209-E213 WeakPolarHBondContact O-CB 3.31Å; E209-E213 PolarHBondContact O-N 3.25Å; E210-E213 PolarHBondContact O-N 3.05Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 3.02Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-K216 PolarHBondContact O-N 3Å; E213-N217 VanDerWaalsContact O-CB 3.3Å; E213-N217 WeakPolarHBondContact O-CB 3.29Å; E213-N217 VanDerWaalsContact O-CG 3.28Å; E213-N217 PolarHBondContact O-N 2.92Å; E213-N217 PolarHBondContact O-ND2 2.88Å |
| 214 | V | 92.7 | Very high | 87.6 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 173.3 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | E210 I211 G218 M273 | E210-V214 WeakPolarHBondContact O-CG2 3.22Å; E210-V214 PolarHBondContact O-N 3.05Å; I211-V214 PolarHBondContact O-N 3.12Å; V214-G218 PolarHBondContact O-N 3.23Å; V214-M273 HydrophobicContact CB-SD 4.41Å; V214-M273 HydrophobicContact CG2-CE 4.17Å; V214-M273 HydrophobicContact CG2-SD 3.96Å |
| 215 | I | 93.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -53.4 | 176.5 | -68.8 | 161.8 | 0 | 0 | 0 | 110 | I211 I212 E213 N217 G218 T219 I223 I227 L231 L266 I294 | I211-I215 HydrophobicContact CG2-CD1 3.71Å; I211-I215 HydrophobicContact CG2-CG1 4.44Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.39Å; I211-I215 PolarHBondContact O-N 3.18Å; I212-I215 PolarHBondContact O-N 3.06Å; E213-I215 VanDerWaalsContact C-N 3.35Å; I215-N217 VanDerWaalsContact C-N 3.28Å; I215-N217 PolarHBondContact O-N 3.43Å; I215-G218 PolarHBondContact O-N 3.06Å; I215-T219 WeakPolarHBondContact O-CG2 3.33Å; I215-T219 PolarHBondContact O-N 3.37Å; I215-I223 HydrophobicContact CG2-CD1 4.2Å; I215-I223 HydrophobicContact CG2-CG1 4.33Å; I215-I227 HydrophobicContact CD1-CD1 4.42Å; I215-L231 HydrophobicContact CD1-CD2 3.89Å; I215-L266 HydrophobicContact CG1-CB 4.46Å; I215-L266 HydrophobicContact CG2-CD1 4.47Å; I215-I294 HydrophobicContact CD1-CD1 3.86Å; I215-I294 HydrophobicContact CD1-CG1 3.88Å; I215-I294 HydrophobicContact CG1-CD1 3.93Å; I215-I294 HydrophobicContact CG1-CG1 4.32Å; I215-I294 HydrophobicContact CG2-CD1 4.2Å; I215-I294 HydrophobicContact CG2-CG1 4.04Å; I215-I294 HydrophobicContact CG2-CG2 4.11Å |
| 216 | K | 89.2 | Confident | 87 | Confident | 78 Ų | 78 | 56.7 Ų | 56.7 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.1 | -39.8 | 179.9 | -77.1 | 179.9 | 171.3 | 177.6 | 0 | 111.7 | I212 E213 I223 D225 H228 | I212-K216 HydrophobicContact CG2-CD 3.94Å; I212-K216 HydrophobicContact CG2-CG 4.2Å; I212-K216 WeakPolarHBondContact O-CB 3.46Å; I212-K216 WeakPolarHBondContact O-CG 3.32Å; I212-K216 PolarHBondContact O-N 3.03Å; E213-K216 PolarHBondContact O-N 3Å; K216-I223 HydrophobicContact CG-CB 4.15Å; K216-I223 HydrophobicContact CG-CG1 4.4Å; K216-I223 HydrophobicContact CG-CG2 4.25Å; K216-D225 IonicContact NZ-OD1 3.89Å; K216-D225 PolarHBondContact NZ-OD1 3.37Å; K216-H228 PolarHBondContact NZ-NE2 3.44Å |
| 217 | N | 89.6 | Confident | 87 | Confident | 126 Ų | 126 | 52.5 Ų | 52.5 | 67% | 0.674 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -76.9 | -21.1 | 176.6 | -72.4 | -38.2 | 0 | 0 | 0 | 113.8 | E213 I215 | E213-N217 VanDerWaalsContact O-CB 3.3Å; E213-N217 WeakPolarHBondContact O-CB 3.29Å; E213-N217 VanDerWaalsContact O-CG 3.28Å; E213-N217 PolarHBondContact O-N 2.92Å; E213-N217 PolarHBondContact O-ND2 2.88Å; I215-N217 VanDerWaalsContact C-N 3.28Å; I215-N217 PolarHBondContact O-N 3.43Å |
| 218 | G | 88.5 | Confident | 86.7 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -88.4 | -15.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | V214 I215 | V214-G218 PolarHBondContact O-N 3.23Å; I215-G218 PolarHBondContact O-N 3.06Å |
| 219 | T | 86 | Confident | 86.2 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | trans | -123.8 | 152.1 | 179.5 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | I215 K221 I223 | I215-T219 WeakPolarHBondContact O-CG2 3.33Å; I215-T219 PolarHBondContact O-N 3.37Å; T219-K221 VanDerWaalsContact C-N 3.35Å; T219-K221 WeakPolarHBondContact OG1-CB 3.35Å; T219-K221 PolarHBondContact OG1-N 3.46Å; T219-K221 VanDerWaalsContact OG1-N 3.16Å; T219-I223 HydrophobicContact CG2-CD1 3.96Å; T219-I223 HydrophobicContact CG2-CG1 3.85Å | ||
| 220 | K | 80.5 | Confident | 86.2 | Confident | 218 Ų | 218 | 52.8 Ų | 52.8 | 95% | 0.948 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -89.5 | -6.4 | 170 | -67.7 | -173.7 | -179.4 | 179.9 | 0 | 112.8 | ||
| 221 | K | 81.4 | Confident | 86.2 | Confident | 76 Ų | 76 | 48.7 Ų | 48.7 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -81.5 | 150.2 | -176.9 | -59.7 | 173.2 | -179.6 | -179.4 | 0 | 109.5 | T219 I223 E263 E298 | T219-K221 VanDerWaalsContact C-N 3.35Å; T219-K221 WeakPolarHBondContact OG1-CB 3.35Å; T219-K221 PolarHBondContact OG1-N 3.46Å; T219-K221 VanDerWaalsContact OG1-N 3.16Å; K221-I223 PolarHBondContact O-N 3.09Å; K221-E263 IonicContact NZ-OE1 3.75Å; K221-E263 PolarHBondContact NZ-OE1 3.23Å; K221-E298 HydrophobicContact CB-CG 4.45Å; K221-E298 VanDerWaalsContact CD-CD 3.43Å; K221-E298 WeakPolarHBondContact CD-OE1 3.46Å; K221-E298 WeakPolarHBondContact CD-OE2 3.49Å; K221-E298 IonicContact NZ-OE1 3.6Å; K221-E298 IonicContact NZ-OE2 3.78Å; K221-E298 PolarHBondContact NZ-OE2 3.26Å |
| 222 | T | 77.2 | Confident | 86 | Confident | 123 Ų | 123 | 48.7 Ų | 48.7 | 76% | 0.755 | 26% | 0.255 | S | S | * | . | trans | -72.4 | 120.4 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 223 | I | 82.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 52 Ų | 52 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | trans | -97.8 | 114.7 | 176.7 | -63 | -62.4 | 0 | 0 | 0 | 107.9 | I215 K216 T219 K221 I227 I294 S297 E298 | I215-I223 HydrophobicContact CG2-CD1 4.2Å; I215-I223 HydrophobicContact CG2-CG1 4.33Å; K216-I223 HydrophobicContact CG-CB 4.15Å; K216-I223 HydrophobicContact CG-CG1 4.4Å; K216-I223 HydrophobicContact CG-CG2 4.25Å; T219-I223 HydrophobicContact CG2-CD1 3.96Å; T219-I223 HydrophobicContact CG2-CG1 3.85Å; K221-I223 PolarHBondContact O-N 3.09Å; I223-I227 HydrophobicContact CG2-CB 4.21Å; I223-I227 HydrophobicContact CG2-CD1 3.93Å; I223-I227 HydrophobicContact CG2-CG2 3.68Å; I223-I294 HydrophobicContact CD1-CG2 4.11Å; I223-S297 VanDerWaalsContact CD1-OG 3.29Å; I223-S297 WeakPolarHBondContact CD1-OG 3.36Å; I223-E298 HydrophobicContact CD1-CG 4.42Å | ||
| 224 | N | 80.7 | Confident | 85.7 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 19% | 0.193 | 25% | 0.254 | C | S | . | . | trans | -65.9 | 138.9 | 176.7 | -175.4 | -53 | 0 | 0 | 0 | 110.8 | K226 I227 S297 D300 | N224-K226 PolarHBondContact O-N 3.45Å; N224-K226 VanDerWaalsContact O-N 3.13Å; N224-K226 VanDerWaalsContact OD1-CB 3.29Å; N224-K226 WeakPolarHBondContact OD1-CB 3.38Å; N224-K226 PolarHBondContact OD1-N 3.24Å; N224-I227 WeakPolarHBondContact O-CB 3.49Å; N224-I227 WeakPolarHBondContact O-CG2 3.46Å; N224-I227 PolarHBondContact O-N 3.19Å; N224-S297 WeakPolarHBondContact CB-O 3.49Å; N224-S297 PolarHBondContact N-O 2.99Å; N224-D300 PolarHBondContact ND2-OD1 3.39Å; N224-D300 VanDerWaalsContact ND2-OD1 3.13Å; N224-D300 PolarHBondContact ND2-OD2 3.49Å | ||
| 225 | D | 77.7 | Confident | 85.7 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12.8 | -176.2 | -73.8 | -26.2 | 0 | 0 | 0 | 114.1 | L184 K216 I227 H228 | L184-D225 HydrophobicContact CD2-CB 3.81Å; K216-D225 IonicContact NZ-OD1 3.89Å; K216-D225 PolarHBondContact NZ-OD1 3.37Å; D225-I227 PolarHBondContact O-N 2.99Å; D225-H228 WeakPolarHBondContact O-CB 3.04Å; D225-H228 PolarHBondContact O-CD2 3.11Å; D225-H228 PolarHBondContact O-N 3.42Å; D225-H228 IonicContact OD1-CD2 3.13Å; D225-H228 IonicContact OD1-NE2 3.36Å |
| 226 | K | 79 | Confident | 85.5 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -17.7 | 166.3 | -166.8 | 177 | -179 | -177.4 | 0 | 112.3 | N224 H228 I229 T230 E302 | N224-K226 PolarHBondContact O-N 3.45Å; N224-K226 VanDerWaalsContact O-N 3.13Å; N224-K226 VanDerWaalsContact OD1-CB 3.29Å; N224-K226 WeakPolarHBondContact OD1-CB 3.38Å; N224-K226 PolarHBondContact OD1-N 3.24Å; K226-H228 VanDerWaalsContact C-N 3.26Å; K226-H228 PolarHBondContact O-N 2.59Å; K226-I229 PolarHBondContact O-N 2.98Å; K226-T230 HydrophobicContact CG-CG2 4.26Å; K226-T230 PolarHBondContact O-N 3.28Å; K226-T230 VanDerWaalsContact O-N 3.09Å; K226-T230 PolarHBondContact O-OG1 3.23Å; K226-E302 IonicContact NZ-OE1 2.9Å; K226-E302 PolarHBondContact NZ-OE1 3.36Å |
| 227 | I | 86.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -33.1 | 172 | -159.5 | 170.2 | 0 | 0 | 0 | 112.8 | I212 I215 I223 N224 D225 I229 T230 L231 I294 | I212-I227 HydrophobicContact CD1-CG2 4.17Å; I212-I227 HydrophobicContact CG1-CG2 4.29Å; I212-I227 HydrophobicContact CG2-CG2 3.94Å; I215-I227 HydrophobicContact CD1-CD1 4.42Å; I223-I227 HydrophobicContact CG2-CB 4.21Å; I223-I227 HydrophobicContact CG2-CD1 3.93Å; I223-I227 HydrophobicContact CG2-CG2 3.68Å; N224-I227 WeakPolarHBondContact O-CB 3.49Å; N224-I227 WeakPolarHBondContact O-CG2 3.46Å; N224-I227 PolarHBondContact O-N 3.19Å; D225-I227 PolarHBondContact O-N 2.99Å; I227-I229 PolarHBondContact O-N 2.89Å; I227-T230 WeakPolarHBondContact CA-OG1 3.22Å; I227-T230 PolarHBondContact O-N 3.4Å; I227-L231 HydrophobicContact CG1-CB 4.06Å; I227-L231 HydrophobicContact CG1-CD2 4.39Å; I227-L231 WeakPolarHBondContact O-CB 3.46Å; I227-L231 PolarHBondContact O-N 2.9Å; I227-I294 HydrophobicContact CD1-CG1 4.43Å |
| 228 | H | 84.7 | Confident | 85.5 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.046 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -27.4 | 178.3 | -69.4 | -87.1 | 0 | 0 | 0 | 111.9 | Y193 E209 I212 K216 D225 K226 T232 | Y193-H228 HydrophobicContact CD2-CB 4.48Å; Y193-H228 HydrophobicContact CE2-CB 4Å; Y193-H228 VanDerWaalsContact CE2-O 3.3Å; Y193-H228 WeakPolarHBondContact CE2-O 3.48Å; E209-H228 IonicContact OE1-CE1 3.51Å; E209-H228 IonicContact OE2-CE1 2.76Å; E209-H228 PolarHBondContact OE2-CE1 3.42Å; E209-H228 IonicContact OE2-ND1 2.54Å; E209-H228 PolarHBondContact OE2-ND1 3.04Å; I212-H228 HydrophobicContact CD1-CB 4.18Å; I212-H228 WeakPolarHBondContact CD1-ND1 3.16Å; K216-H228 PolarHBondContact NZ-NE2 3.44Å; D225-H228 WeakPolarHBondContact O-CB 3.04Å; D225-H228 PolarHBondContact O-CD2 3.11Å; D225-H228 PolarHBondContact O-N 3.42Å; D225-H228 IonicContact OD1-CD2 3.13Å; D225-H228 IonicContact OD1-NE2 3.36Å; K226-H228 VanDerWaalsContact C-N 3.26Å; K226-H228 PolarHBondContact O-N 2.59Å; H228-T232 WeakPolarHBondContact O-CB 3.27Å; H228-T232 PolarHBondContact O-OG1 3.36Å |
| 229 | I | 82.9 | Confident | 85.6 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -82 | -59.6 | 175.3 | -61.6 | 177.1 | 0 | 0 | 0 | 109.6 | T189 Q192 Y193 I196 K226 I227 L231 T232 D233 | T189-I229 HydrophobicContact CG2-CD1 3.36Å; T189-I229 HydrophobicContact CG2-CG1 4.39Å; T189-I229 WeakPolarHBondContact O-CD1 3.37Å; Q192-I229 HydrophobicContact CB-CD1 3.93Å; Q192-I229 HydrophobicContact CB-CG2 4.47Å; Y193-I229 HydrophobicContact CD2-CG1 3.85Å; Y193-I229 HydrophobicContact CG-CG1 4.18Å; I196-I229 HydrophobicContact CD1-CB 4.49Å; I196-I229 HydrophobicContact CD1-CG2 3.37Å; K226-I229 PolarHBondContact O-N 2.98Å; I227-I229 PolarHBondContact O-N 2.89Å; I229-L231 PolarHBondContact O-N 3.25Å; I229-T232 PolarHBondContact O-N 3.32Å; I229-D233 WeakPolarHBondContact O-CB 3.46Å; I229-D233 PolarHBondContact O-N 3.44Å |
| 230 | T | 87.8 | Confident | 85.7 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | -168.4 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | K226 I227 H234 | K226-T230 HydrophobicContact CG-CG2 4.26Å; K226-T230 PolarHBondContact O-N 3.28Å; K226-T230 VanDerWaalsContact O-N 3.09Å; K226-T230 PolarHBondContact O-OG1 3.23Å; I227-T230 WeakPolarHBondContact CA-OG1 3.22Å; I227-T230 PolarHBondContact O-N 3.4Å; T230-H234 WeakPolarHBondContact O-CB 3.38Å; T230-H234 PolarHBondContact O-N 3.03Å |
| 231 | L | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.9 | -36.6 | 178.7 | -171.5 | 58.3 | 0 | 0 | 0 | 112 | T208 I211 I212 I215 I227 I229 H234 I235 I290 H293 | T208-L231 HydrophobicContact CG2-CB 4.21Å; T208-L231 HydrophobicContact CG2-CD2 4.29Å; T208-L231 HydrophobicContact CG2-CG 4Å; I211-L231 HydrophobicContact CG2-CD2 3.84Å; I212-L231 HydrophobicContact CG1-CD2 3.86Å; I215-L231 HydrophobicContact CD1-CD2 3.89Å; I227-L231 HydrophobicContact CG1-CB 4.06Å; I227-L231 HydrophobicContact CG1-CD2 4.39Å; I227-L231 WeakPolarHBondContact O-CB 3.46Å; I227-L231 PolarHBondContact O-N 2.9Å; I229-L231 PolarHBondContact O-N 3.25Å; L231-H234 PolarHBondContact O-N 3.01Å; L231-I235 HydrophobicContact CD1-CD1 4.19Å; L231-I235 HydrophobicContact CD1-CG1 4.27Å; L231-I235 HydrophobicContact CG-CD1 3.96Å; L231-I235 HydrophobicContact CG-CG1 4.44Å; L231-I235 WeakPolarHBondContact O-CG1 3.29Å; L231-I235 PolarHBondContact O-N 3.12Å; L231-I290 HydrophobicContact CD1-CG1 4.15Å; L231-I290 HydrophobicContact CD1-CG2 4.05Å; L231-H293 HydrophobicContact CD1-CB 4.47Å |
| 232 | T | 90.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.2 | -45.6 | 178.1 | -55 | 0 | 0 | 0 | 0 | 110.8 | I200 I205 T208 H228 I229 H234 I235 S236 | I200-T232 HydrophobicContact CD1-CG2 3.79Å; I200-T232 HydrophobicContact CG2-CG2 4.35Å; I205-T232 HydrophobicContact CG1-CG2 4.25Å; T208-T232 WeakPolarHBondContact CG2-OG1 3.3Å; H228-T232 WeakPolarHBondContact O-CB 3.27Å; H228-T232 PolarHBondContact O-OG1 3.36Å; I229-T232 PolarHBondContact O-N 3.32Å; T232-H234 VanDerWaalsContact C-N 3.31Å; T232-H234 PolarHBondContact O-N 2.88Å; T232-I235 PolarHBondContact O-N 3.25Å; T232-S236 WeakPolarHBondContact O-CB 3.36Å; T232-S236 PolarHBondContact O-N 3.04Å |
| 233 | D | 87.3 | Confident | 87 | Confident | 72 Ų | 72 | 28.5 Ų | 28.5 | 39% | 0.385 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 173.1 | -177 | 44.7 | 0 | 0 | 0 | 111.5 | I196 I229 S236 N237 | I196-D233 HydrophobicContact CD1-CB 4.26Å; I229-D233 WeakPolarHBondContact O-CB 3.46Å; I229-D233 PolarHBondContact O-N 3.44Å; D233-S236 PolarHBondContact O-N 2.95Å; D233-N237 WeakPolarHBondContact O-CB 3.05Å; D233-N237 PolarHBondContact O-N 3.15Å; D233-N237 PolarHBondContact O-ND2 3.29Å; D233-N237 PolarHBondContact OD1-ND2 2.74Å |
| 234 | H | 90.6 | Very high | 87.3 | Confident | 22 Ų | 22 | 33.1 Ų | 33.1 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 178.6 | 179.9 | 73.7 | 0 | 0 | 0 | 113.4 | T230 L231 T232 L238 E286 F289 H293 | T230-H234 WeakPolarHBondContact O-CB 3.38Å; T230-H234 PolarHBondContact O-N 3.03Å; L231-H234 PolarHBondContact O-N 3.01Å; T232-H234 VanDerWaalsContact C-N 3.31Å; T232-H234 PolarHBondContact O-N 2.88Å; H234-L238 VanDerWaalsContact O-CB 3.28Å; H234-L238 WeakPolarHBondContact O-CB 3.34Å; H234-L238 PolarHBondContact O-N 2.6Å; H234-E286 IonicContact CD2-OE1 3.92Å; H234-E286 IonicContact CE1-OE1 2.91Å; H234-E286 PolarHBondContact CE1-OE1 2.98Å; H234-E286 IonicContact NE2-OE1 3.25Å; H234-E286 PolarHBondContact NE2-OE1 3.2Å; H234-F289 WeakPolarHBondContact CE1-CB 3.23Å; H234-F289 WeakPolarHBondContact NE2-CB 3.02Å; H234-H293 WeakPolarHBondContact CB-NE2 3.41Å; H234-H293 AromaticContact CD2-CD2 3.82Å; H234-H293 AromaticContact CD2-NE2 3.89Å; H234-H293 AromaticContact CG-CD2 3.66Å; H234-H293 AromaticContact CG-NE2 3.26Å; H234-H293 VanDerWaalsContact CG-NE2 3.26Å; H234-H293 AromaticContact ND1-NE2 3.38Å; H234-H293 PolarHBondContact ND1-NE2 2.98Å |
| 235 | I | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.8 | -42 | 177.8 | -69 | 171.8 | 0 | 0 | 0 | 110.4 | I204 T208 I211 L231 T232 L238 L239 I274 | I204-I235 HydrophobicContact CG2-CG2 4Å; T208-I235 HydrophobicContact CG2-CD1 3.91Å; T208-I235 WeakPolarHBondContact OG1-CD1 3.29Å; I211-I235 HydrophobicContact CD1-CD1 3.73Å; L231-I235 HydrophobicContact CD1-CD1 4.19Å; L231-I235 HydrophobicContact CD1-CG1 4.27Å; L231-I235 HydrophobicContact CG-CD1 3.96Å; L231-I235 HydrophobicContact CG-CG1 4.44Å; L231-I235 WeakPolarHBondContact O-CG1 3.29Å; L231-I235 PolarHBondContact O-N 3.12Å; T232-I235 PolarHBondContact O-N 3.25Å; I235-L238 WeakPolarHBondContact O-CB 3.45Å; I235-L238 PolarHBondContact O-N 2.68Å; I235-L239 HydrophobicContact CG2-CD1 4.1Å; I235-L239 HydrophobicContact CG2-CG 4.36Å; I235-L239 WeakPolarHBondContact O-CG 3.46Å; I235-L239 PolarHBondContact O-N 3.36Å; I235-I274 HydrophobicContact CD1-CD1 4.08Å; I235-I274 HydrophobicContact CG1-CD1 3.99Å |
| 236 | S | 90.1 | Very high | 87.6 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -51.3 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | I200 T232 D233 L238 L239 E240 | I200-S236 VanDerWaalsContact CD1-CB 3.49Å; T232-S236 WeakPolarHBondContact O-CB 3.36Å; T232-S236 PolarHBondContact O-N 3.04Å; D233-S236 PolarHBondContact O-N 2.95Å; S236-L238 PolarHBondContact O-N 2.98Å; S236-L239 PolarHBondContact O-N 3.19Å; S236-L239 VanDerWaalsContact O-N 3.12Å; S236-E240 PolarHBondContact O-N 3.49Å |
| 237 | N | 88.5 | Confident | 87.6 | Confident | 68 Ų | 68 | 39.3 Ų | 39.3 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.3 | -32.8 | 175.4 | -79.2 | -66.1 | 0 | 0 | 0 | 112.4 | D233 R241 | D233-N237 WeakPolarHBondContact O-CB 3.05Å; D233-N237 PolarHBondContact O-N 3.15Å; D233-N237 PolarHBondContact O-ND2 3.29Å; D233-N237 PolarHBondContact OD1-ND2 2.74Å; N237-R241 WeakPolarHBondContact O-CB 3.43Å; N237-R241 WeakPolarHBondContact O-CG 3.4Å; N237-R241 PolarHBondContact O-N 2.86Å |
| 238 | L | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 173 | 165.8 | 65.1 | 0 | 0 | 0 | 111.8 | H234 I235 S236 E240 R241 M242 I274 I282 E286 | H234-L238 VanDerWaalsContact O-CB 3.28Å; H234-L238 WeakPolarHBondContact O-CB 3.34Å; H234-L238 PolarHBondContact O-N 2.6Å; I235-L238 WeakPolarHBondContact O-CB 3.45Å; I235-L238 PolarHBondContact O-N 2.68Å; S236-L238 PolarHBondContact O-N 2.98Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-R241 VanDerWaalsContact CA-CZ 3.41Å; L238-R241 VanDerWaalsContact CD1-NH2 3.31Å; L238-R241 VanDerWaalsContact O-CG 3.24Å; L238-R241 WeakPolarHBondContact O-CG 3.5Å; L238-R241 PolarHBondContact O-N 3.35Å; L238-M242 HydrophobicContact CD1-CE 4.42Å; L238-M242 HydrophobicContact CD1-CG 3.71Å; L238-M242 HydrophobicContact CG-CG 4.47Å; L238-M242 WeakPolarHBondContact O-CB 3.5Å; L238-M242 WeakPolarHBondContact O-CG 3.48Å; L238-M242 PolarHBondContact O-N 3.32Å; L238-I274 HydrophobicContact CD2-CD1 4.15Å; L238-I274 HydrophobicContact CD2-CG2 4.44Å; L238-I282 HydrophobicContact CD1-CG2 4.44Å; L238-I282 HydrophobicContact CD2-CG2 4.18Å; L238-E286 HydrophobicContact CD1-CG 4.04Å; L238-E286 HydrophobicContact CD2-CG 3.65Å; L238-E286 HydrophobicContact CG-CG 4.45Å |
| 239 | L | 90.5 | Very high | 86.5 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | -177.9 | -64.5 | 177.8 | 0 | 0 | 0 | 111.3 | I204 I235 S236 M242 A243 I274 V278 L280 I282 | I204-L239 HydrophobicContact CD1-CD1 3.75Å; I204-L239 HydrophobicContact CG1-CD1 3.7Å; I235-L239 HydrophobicContact CG2-CD1 4.1Å; I235-L239 HydrophobicContact CG2-CG 4.36Å; I235-L239 WeakPolarHBondContact O-CG 3.46Å; I235-L239 PolarHBondContact O-N 3.36Å; S236-L239 PolarHBondContact O-N 3.19Å; S236-L239 VanDerWaalsContact O-N 3.12Å; L239-M242 PolarHBondContact O-N 3.42Å; L239-A243 WeakPolarHBondContact O-CB 3.5Å; L239-A243 PolarHBondContact O-N 2.99Å; L239-I274 HydrophobicContact CD2-CG2 4.07Å; L239-V278 HydrophobicContact CD1-CG1 4.08Å; L239-V278 HydrophobicContact CD2-CB 4.19Å; L239-V278 HydrophobicContact CD2-CG1 3.97Å; L239-V278 HydrophobicContact CD2-CG2 3.48Å; L239-V278 VanDerWaalsContact CD2-CG2 3.48Å; L239-L280 HydrophobicContact CD2-CD1 4.22Å; L239-I282 HydrophobicContact CD2-CD1 4.01Å |
| 240 | E | 87.4 | Confident | 86 | Confident | 118 Ų | 118 | 51.5 Ų | 51.5 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.7 | -48.5 | 175.2 | -170.7 | 175.8 | -168.4 | 0 | 0 | 111.6 | S236 L238 M242 A243 L244 | S236-E240 PolarHBondContact O-N 3.49Å; L238-E240 VanDerWaalsContact C-N 3.35Å; E240-M242 VanDerWaalsContact C-N 3.32Å; E240-M242 PolarHBondContact O-N 3.5Å; E240-A243 PolarHBondContact O-N 3.46Å; E240-L244 HydrophobicContact CG-CD1 4.41Å; E240-L244 WeakPolarHBondContact O-CG 3.41Å; E240-L244 PolarHBondContact O-N 3.31Å |
| 241 | R | 91.4 | Very high | 85 | Confident | 21 Ų | 21 | 54 Ų | 54 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.3 | -35.1 | 178.6 | 75.1 | -177.3 | 177 | -110.9 | 9 | 112.3 | N237 L238 L244 G245 I246 E286 | N237-R241 WeakPolarHBondContact O-CB 3.43Å; N237-R241 WeakPolarHBondContact O-CG 3.4Å; N237-R241 PolarHBondContact O-N 2.86Å; L238-R241 VanDerWaalsContact CA-CZ 3.41Å; L238-R241 VanDerWaalsContact CD1-NH2 3.31Å; L238-R241 VanDerWaalsContact O-CG 3.24Å; L238-R241 WeakPolarHBondContact O-CG 3.5Å; L238-R241 PolarHBondContact O-N 3.35Å; R241-L244 CarbonylContact O-C 3.47Å; R241-L244 PolarHBondContact O-N 3.15Å; R241-G245 PolarHBondContact O-N 2.96Å; R241-I246 HydrophobicContact CB-CB 4.22Å; R241-I246 WeakPolarHBondContact CG-O 3.44Å; R241-I246 PolarHBondContact O-N 3.34Å; R241-E286 IonicContact CZ-OE1 3.95Å; R241-E286 IonicContact CZ-OE2 3.3Å; R241-E286 IonicContact NH2-OE1 2.86Å; R241-E286 PolarHBondContact NH2-OE1 3.21Å; R241-E286 IonicContact NH2-OE2 2.79Å; R241-E286 PolarHBondContact NH2-OE2 3.02Å |
| 242 | M | 90.2 | Very high | 83.9 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.064 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 175.7 | -71.6 | -59.3 | 103.3 | 0 | 0 | 112.2 | L238 L239 E240 L244 G245 I246 T247 L280 I282 P283 | L238-M242 HydrophobicContact CD1-CE 4.42Å; L238-M242 HydrophobicContact CD1-CG 3.71Å; L238-M242 HydrophobicContact CG-CG 4.47Å; L238-M242 WeakPolarHBondContact O-CB 3.5Å; L238-M242 WeakPolarHBondContact O-CG 3.48Å; L238-M242 PolarHBondContact O-N 3.32Å; L239-M242 PolarHBondContact O-N 3.42Å; E240-M242 VanDerWaalsContact C-N 3.32Å; E240-M242 PolarHBondContact O-N 3.5Å; M242-L244 PolarHBondContact O-N 3.37Å; M242-G245 PolarHBondContact O-N 2.93Å; M242-I246 WeakPolarHBondContact CE-O 3.48Å; M242-T247 HydrophobicContact CE-CG2 3.86Å; M242-T247 HydrophobicContact SD-CG2 4.35Å; M242-L280 HydrophobicContact CB-CB 4.42Å; M242-L280 HydrophobicContact CB-CD1 4.21Å; M242-I282 HydrophobicContact CB-CD1 4.3Å; M242-I282 HydrophobicContact CG-CD1 3.8Å; M242-P283 HydrophobicContact CE-CG 4.43Å; M242-P283 WeakPolarHBondContact SD-CD 3.38Å; M242-P283 HydrophobicContact SD-CG 3.98Å |
| 243 | A | 86.2 | Confident | 83.1 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 60% | 0.595 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.8 | -30.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L239 E240 | L239-A243 WeakPolarHBondContact O-CB 3.5Å; L239-A243 PolarHBondContact O-N 2.99Å; E240-A243 PolarHBondContact O-N 3.46Å |
| 244 | L | 87.2 | Confident | 82.4 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 62% | 0.623 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4 | 173.9 | -63.8 | 174.5 | 0 | 0 | 0 | 114.1 | E240 R241 M242 I246 | E240-L244 HydrophobicContact CG-CD1 4.41Å; E240-L244 WeakPolarHBondContact O-CG 3.41Å; E240-L244 PolarHBondContact O-N 3.31Å; R241-L244 CarbonylContact O-C 3.47Å; R241-L244 PolarHBondContact O-N 3.15Å; M242-L244 PolarHBondContact O-N 3.37Å; L244-I246 HydrophobicContact CB-CD1 3.93Å; L244-I246 HydrophobicContact CB-CG1 4.11Å; L244-I246 HydrophobicContact CD1-CD1 4.31Å |
| 245 | G | 83.3 | Confident | 81.7 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 66% | 0.66 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 24.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R241 M242 | R241-G245 PolarHBondContact O-N 2.96Å; M242-G245 PolarHBondContact O-N 2.93Å |
| 246 | I | 82.5 | Confident | 81.2 | Confident | 79 Ų | 79 | 63.7 Ų | 63.7 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | trans | -101.8 | 110.7 | -177.8 | -58.1 | 170.3 | 0 | 0 | 0 | 109.6 | R241 M242 L244 F248 | R241-I246 HydrophobicContact CB-CB 4.22Å; R241-I246 WeakPolarHBondContact CG-O 3.44Å; R241-I246 PolarHBondContact O-N 3.34Å; M242-I246 WeakPolarHBondContact CE-O 3.48Å; L244-I246 HydrophobicContact CB-CD1 3.93Å; L244-I246 HydrophobicContact CB-CG1 4.11Å; L244-I246 HydrophobicContact CD1-CD1 4.31Å; I246-F248 HydrophobicContact CG2-CE1 4.09Å | ||
| 247 | T | 78.9 | Confident | 80.8 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -102.9 | 144.6 | 174.4 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | M242 P283 | M242-T247 HydrophobicContact CE-CG2 3.86Å; M242-T247 HydrophobicContact SD-CG2 4.35Å; T247-P283 HydrophobicContact CG2-CG 4.1Å |
| 248 | F | 77.4 | Confident | 80.2 | Confident | 118 Ų | 118 | 65 Ų | 65 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 146.1 | 170.6 | -63.7 | -37.9 | 0 | 0 | 0 | 110.6 | I246 F289 | I246-F248 HydrophobicContact CG2-CE1 4.09Å; F248-F289 HydrophobicContact CB-CZ 4.39Å |
| 249 | D | 71.4 | Confident | 79.8 | Confident | 146 Ų | 146 | 66.3 Ų | 66.3 | 78% | 0.781 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 133.5 | 170.8 | -166.8 | -0.1 | 0 | 0 | 0 | 108.9 | S251 | D249-S251 PolarHBondContact O-N 3.5Š|
| 250 | S | 72.2 | Confident | 79.6 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 8% | 0.077 | 37% | 0.365 | C | S | . | . | trans | -82.3 | 72.6 | -177.4 | -161.2 | 0 | 0 | 0 | 0 | 110.1 | L252 L253 D285 N288 | S250-L252 PolarHBondContact O-N 2.89Å; S250-L253 WeakPolarHBondContact O-CB 3.47Å; S250-L253 PolarHBondContact O-N 3.16Å; S250-D285 PolarHBondContact OG-O 3.09Å; S250-D285 VanDerWaalsContact OG-O 3.1Å; S250-N288 WeakPolarHBondContact OG-CB 3.13Å; S250-N288 VanDerWaalsContact OG-CG 3.26Å; S250-N288 PolarHBondContact OG-ND2 3.05Å | ||
| 251 | S | 65.8 | Low | 79.6 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.6 | 169.7 | 57.5 | 0 | 0 | 0 | 0 | 108.7 | D249 N288 | D249-S251 PolarHBondContact O-N 3.5Å; S251-N288 PolarHBondContact O-ND2 2.99Å; S251-N288 VanDerWaalsContact O-ND2 3.08Å |
| 252 | L | 69.4 | Low | 79.5 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 7.5 | -179.5 | -43.6 | 166.4 | 0 | 0 | 0 | 116.5 | S250 W254 N255 V256 V307 E311 | S250-L252 PolarHBondContact O-N 2.89Å; L252-W254 VanDerWaalsContact C-N 3.32Å; L252-W254 PolarHBondContact O-N 3.34Å; L252-N255 HydrophobicContact CB-CB 4.29Å; L252-N255 VanDerWaalsContact CD2-ND2 3.28Å; L252-N255 WeakPolarHBondContact CD2-ND2 3.08Å; L252-N255 WeakPolarHBondContact O-CA 3.24Å; L252-N255 WeakPolarHBondContact O-CB 3.41Å; L252-N255 PolarHBondContact O-N 2.99Å; L252-V256 PolarHBondContact O-N 3.16Å; L252-V307 HydrophobicContact CD1-CG1 4.1Å; L252-E311 HydrophobicContact CD1-CG 3.53Å; L252-E311 HydrophobicContact CD2-CG 3.82Å; L252-E311 HydrophobicContact CG-CG 4.31Å |
| 253 | L | 72.3 | Confident | 79.5 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -47.4 | -50.9 | -179.8 | 178.9 | 66.5 | 0 | 0 | 0 | 113.6 | S250 N255 V256 Q257 Y264 D285 N288 | S250-L253 WeakPolarHBondContact O-CB 3.47Å; S250-L253 PolarHBondContact O-N 3.16Å; L253-N255 VanDerWaalsContact C-N 3.28Å; L253-N255 PolarHBondContact O-N 3.35Å; L253-V256 PolarHBondContact O-N 2.84Å; L253-Q257 WeakPolarHBondContact O-CG 3.38Å; L253-Q257 PolarHBondContact O-N 3.35Å; L253-Q257 VanDerWaalsContact O-N 3.11Å; L253-Y264 HydrophobicContact CD1-CE2 3.81Å; L253-D285 HydrophobicContact CD2-CB 4.31Å; L253-N288 WeakPolarHBondContact CA-OD1 3.34Å; L253-N288 HydrophobicContact CD1-CB 3.8Å |
| 254 | W | 72.6 | Confident | 79.8 | Confident | 189 Ų | 189 | 65.9 Ų | 65.9 | 72% | 0.716 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.2 | -38 | 178.1 | 174.6 | -101.5 | 0 | 0 | 0 | 112.4 | L252 A258 | L252-W254 VanDerWaalsContact C-N 3.32Å; L252-W254 PolarHBondContact O-N 3.34Å; W254-A258 WeakPolarHBondContact O-CB 3.43Å; W254-A258 PolarHBondContact O-N 3.09Å |
| 255 | N | 75.9 | Confident | 80.2 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.1 | -42.3 | -176.7 | -56 | -14.5 | 0 | 0 | 0 | 110.7 | L252 L253 A258 L259 N314 | L252-N255 HydrophobicContact CB-CB 4.29Å; L252-N255 VanDerWaalsContact CD2-ND2 3.28Å; L252-N255 WeakPolarHBondContact CD2-ND2 3.08Å; L252-N255 WeakPolarHBondContact O-CA 3.24Å; L252-N255 WeakPolarHBondContact O-CB 3.41Å; L252-N255 PolarHBondContact O-N 2.99Å; L253-N255 VanDerWaalsContact C-N 3.28Å; L253-N255 PolarHBondContact O-N 3.35Å; N255-A258 PolarHBondContact O-N 3.33Å; N255-L259 VanDerWaalsContact O-CB 3.27Å; N255-L259 WeakPolarHBondContact O-CB 3.39Å; N255-L259 WeakPolarHBondContact O-CG 3.36Å; N255-L259 PolarHBondContact O-N 2.8Å; N255-N314 HydrophobicContact CB-CB 4.31Å; N255-N314 VanDerWaalsContact CG-OD1 3.23Å; N255-N314 VanDerWaalsContact ND2-CG 3.27Å; N255-N314 PolarHBondContact ND2-ND2 3.49Å; N255-N314 VanDerWaalsContact ND2-ND2 3.15Å; N255-N314 PolarHBondContact OD1-ND2 2.69Å; N255-N314 PolarHBondContact OD1-OD1 3.16Å; N255-N314 VanDerWaalsContact OD1-OD1 3.07Å |
| 256 | V | 82.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L252 L253 A258 L259 Y260 Y264 N288 A291 I292 T310 | L252-V256 PolarHBondContact O-N 3.16Å; L253-V256 PolarHBondContact O-N 2.84Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 3.05Å; V256-L259 PolarHBondContact O-N 3.32Å; V256-Y260 HydrophobicContact CG1-CD2 4.24Å; V256-Y260 CarbonylContact O-C 3.5Å; V256-Y260 WeakPolarHBondContact O-CA 3.32Å; V256-Y260 PolarHBondContact O-N 2.91Å; V256-Y264 HydrophobicContact CG1-CD2 4.12Å; V256-N288 WeakPolarHBondContact CB-OD1 3.32Å; V256-N288 WeakPolarHBondContact CG2-OD1 3.07Å; V256-A291 HydrophobicContact CG1-CB 3.6Å; V256-I292 HydrophobicContact CG2-CD1 3.7Å; V256-I292 HydrophobicContact CG2-CG1 4.06Å; V256-T310 HydrophobicContact CG2-CG2 4.23Å |
| 257 | Q | 81.9 | Confident | 81.3 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 175.1 | -74.8 | 178.8 | -19.7 | 0 | 0 | 112.7 | L253 Y264 | L253-Q257 WeakPolarHBondContact O-CG 3.38Å; L253-Q257 PolarHBondContact O-N 3.35Å; L253-Q257 VanDerWaalsContact O-N 3.11Å; Q257-Y264 HydrophobicContact CG-CD1 3.68Å; Q257-Y264 HydrophobicContact CG-CD2 3.8Å; Q257-Y264 HydrophobicContact CG-CE1 3.57Å; Q257-Y264 HydrophobicContact CG-CE2 3.69Å; Q257-Y264 HydrophobicContact CG-CG 3.79Å; Q257-Y264 VanDerWaalsContact NE2-CE1 3.27Å; Q257-Y264 PolarHBondContact NE2-OH 3.36Å |
| 258 | A | 75.7 | Confident | 82.1 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 41% | 0.413 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -76.6 | -38.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | W254 N255 V256 | W254-A258 WeakPolarHBondContact O-CB 3.43Å; W254-A258 PolarHBondContact O-N 3.09Å; N255-A258 PolarHBondContact O-N 3.33Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 3.05Å |
| 259 | L | 80.5 | Confident | 83 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -86.6 | -33.7 | -175.2 | -65.6 | 175 | 0 | 0 | 0 | 113 | N255 V256 P261 T310 I313 A341 | N255-L259 VanDerWaalsContact O-CB 3.27Å; N255-L259 WeakPolarHBondContact O-CB 3.39Å; N255-L259 WeakPolarHBondContact O-CG 3.36Å; N255-L259 PolarHBondContact O-N 2.8Å; V256-L259 PolarHBondContact O-N 3.32Å; L259-P261 VanDerWaalsContact C-CD 3.45Å; L259-T310 HydrophobicContact CD1-CG2 4.14Å; L259-I313 HydrophobicContact CD1-CB 4.06Å; L259-I313 HydrophobicContact CD1-CG2 3.67Å; L259-I313 HydrophobicContact CD2-CG2 3.54Å; L259-I313 HydrophobicContact CG-CG2 4.25Å; L259-A341 HydrophobicContact CD2-CB 3.89Å |
| 260 | Y | 86.9 | Confident | 84.2 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | trans | -131 | 59.7 | -171.8 | -46.5 | -55.1 | 0 | 0 | 0 | 111.1 | V256 E262 E263 Y264 I292 V295 T310 | V256-Y260 HydrophobicContact CG1-CD2 4.24Å; V256-Y260 CarbonylContact O-C 3.5Å; V256-Y260 WeakPolarHBondContact O-CA 3.32Å; V256-Y260 PolarHBondContact O-N 2.91Å; Y260-E262 VanDerWaalsContact C-N 3.33Å; Y260-E262 PolarHBondContact O-N 3Å; Y260-E263 WeakPolarHBondContact CA-OE2 3.32Å; Y260-E263 VanDerWaalsContact CB-OE2 3.3Å; Y260-E263 WeakPolarHBondContact CB-OE2 3.31Å; Y260-E263 PolarHBondContact O-N 3.25Å; Y260-Y264 VanDerWaalsContact O-CB 3.25Å; Y260-Y264 WeakPolarHBondContact O-CB 3.26Å; Y260-Y264 PolarHBondContact O-N 3.5Å; Y260-I292 HydrophobicContact CE2-CD1 4.47Å; Y260-V295 HydrophobicContact CD1-CG2 3.98Å; Y260-V295 HydrophobicContact CD2-CG2 3.74Å; Y260-V295 HydrophobicContact CE1-CG1 4.19Å; Y260-V295 HydrophobicContact CE1-CG2 4.39Å; Y260-V295 HydrophobicContact CE2-CG1 4.18Å; Y260-V295 HydrophobicContact CE2-CG2 4.12Å; Y260-V295 HydrophobicContact CG-CG2 3.64Å; Y260-T310 HydrophobicContact CE2-CG2 3.6Å; Y260-T310 WeakPolarHBondContact CE2-OG1 3.48Å; Y260-T310 PolarHBondContact OH-OG1 3.04Å | ||
| 261 | P | 86.7 | Confident | 85.3 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | -172.6 | 25.5 | -34.6 | 0 | 0 | 0 | 112.7 | L259 Q265 | L259-P261 VanDerWaalsContact C-CD 3.45Å; P261-Q265 VanDerWaalsContact O-CG 3.3Å; P261-Q265 WeakPolarHBondContact O-CG 3.48Å; P261-Q265 PolarHBondContact O-N 2.91Å |
| 262 | E | 89.2 | Confident | 86.6 | Confident | 124 Ų | 124 | 49 Ų | 49 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -68.7 | -48 | -179.8 | -67 | -175.8 | 172.1 | 0 | 0 | 111 | Y260 Y264 Q265 L266 | Y260-E262 VanDerWaalsContact C-N 3.33Å; Y260-E262 PolarHBondContact O-N 3Å; E262-Y264 VanDerWaalsContact C-N 3.31Å; E262-Y264 PolarHBondContact O-N 3.48Å; E262-Q265 PolarHBondContact O-N 3.49Å; E262-L266 WeakPolarHBondContact O-CG 3.27Å; E262-L266 PolarHBondContact O-N 3.43Å |
| 263 | E | 91.8 | Very high | 87.9 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 178.5 | -59.3 | 80 | 178.8 | 0 | 0 | 110.7 | K221 Y260 L266 A267 I294 V295 | K221-E263 IonicContact NZ-OE1 3.75Å; K221-E263 PolarHBondContact NZ-OE1 3.23Å; Y260-E263 WeakPolarHBondContact CA-OE2 3.32Å; Y260-E263 VanDerWaalsContact CB-OE2 3.3Å; Y260-E263 WeakPolarHBondContact CB-OE2 3.31Å; Y260-E263 PolarHBondContact O-N 3.25Å; E263-L266 PolarHBondContact O-N 3.21Å; E263-A267 WeakPolarHBondContact O-CB 3.48Å; E263-A267 PolarHBondContact O-N 3.16Å; E263-I294 HydrophobicContact CB-CB 4.34Å; E263-I294 HydrophobicContact CB-CG2 4.02Å; E263-I294 HydrophobicContact CG-CG2 3.8Å; E263-V295 HydrophobicContact CB-CG2 4.13Å; E263-V295 HydrophobicContact CG-CG2 3.9Å |
| 264 | Y | 92.7 | Very high | 89 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 9% | 0.09 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 174.3 | -172.4 | -95.4 | 0 | 0 | 0 | 112.3 | L253 V256 Q257 Y260 E262 L266 A267 V268 A287 A291 | L253-Y264 HydrophobicContact CD1-CE2 3.81Å; V256-Y264 HydrophobicContact CG1-CD2 4.12Å; Q257-Y264 HydrophobicContact CG-CD1 3.68Å; Q257-Y264 HydrophobicContact CG-CD2 3.8Å; Q257-Y264 HydrophobicContact CG-CE1 3.57Å; Q257-Y264 HydrophobicContact CG-CE2 3.69Å; Q257-Y264 HydrophobicContact CG-CG 3.79Å; Q257-Y264 VanDerWaalsContact NE2-CE1 3.27Å; Q257-Y264 PolarHBondContact NE2-OH 3.36Å; Y260-Y264 VanDerWaalsContact O-CB 3.25Å; Y260-Y264 WeakPolarHBondContact O-CB 3.26Å; Y260-Y264 PolarHBondContact O-N 3.5Å; E262-Y264 VanDerWaalsContact C-N 3.31Å; E262-Y264 PolarHBondContact O-N 3.48Å; Y264-L266 VanDerWaalsContact C-N 3.32Å; Y264-L266 PolarHBondContact O-N 2.92Å; Y264-A267 WeakPolarHBondContact O-CB 3.13Å; Y264-A267 PolarHBondContact O-N 3.2Å; Y264-V268 HydrophobicContact CD1-CG2 3.95Å; Y264-V268 HydrophobicContact CE1-CG2 3.51Å; Y264-V268 WeakPolarHBondContact O-CG2 3.47Å; Y264-V268 PolarHBondContact O-N 2.86Å; Y264-A287 HydrophobicContact CD2-CB 4.39Å; Y264-A287 HydrophobicContact CE2-CB 3.75Å; Y264-A291 HydrophobicContact CD2-CB 4.29Å |
| 265 | Q | 94 | Very high | 89.9 | Confident | 114 Ų | 114 | 41.6 Ų | 41.6 | 53% | 0.533 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -35.7 | 175.2 | -71.3 | -56.8 | -46.7 | 0 | 0 | 112.5 | P261 E262 V268 K269 | P261-Q265 VanDerWaalsContact O-CG 3.3Å; P261-Q265 WeakPolarHBondContact O-CG 3.48Å; P261-Q265 PolarHBondContact O-N 2.91Å; E262-Q265 PolarHBondContact O-N 3.49Å; Q265-V268 PolarHBondContact O-N 3.38Å; Q265-K269 WeakPolarHBondContact O-CG 3.41Å; Q265-K269 PolarHBondContact O-N 3.29Å |
| 266 | L | 95.5 | Very high | 90.7 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 172.4 | -64.9 | 174.7 | 0 | 0 | 0 | 111.2 | I215 E262 E263 Y264 V268 K269 A270 I294 | I215-L266 HydrophobicContact CG1-CB 4.46Å; I215-L266 HydrophobicContact CG2-CD1 4.47Å; E262-L266 WeakPolarHBondContact O-CG 3.27Å; E262-L266 PolarHBondContact O-N 3.43Å; E263-L266 PolarHBondContact O-N 3.21Å; Y264-L266 VanDerWaalsContact C-N 3.32Å; Y264-L266 PolarHBondContact O-N 2.92Å; L266-V268 PolarHBondContact O-N 3.43Å; L266-K269 WeakPolarHBondContact O-CB 3.36Å; L266-K269 PolarHBondContact O-N 2.56Å; L266-A270 PolarHBondContact O-N 3.05Å; L266-I294 HydrophobicContact CB-CD1 3.99Å |
| 267 | A | 95 | Very high | 91 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | E263 Y264 K269 A270 V271 A287 I290 A291 I294 | E263-A267 WeakPolarHBondContact O-CB 3.48Å; E263-A267 PolarHBondContact O-N 3.16Å; Y264-A267 WeakPolarHBondContact O-CB 3.13Å; Y264-A267 PolarHBondContact O-N 3.2Å; A267-K269 VanDerWaalsContact C-N 3.31Å; A267-K269 PolarHBondContact O-N 3.17Å; A267-A270 WeakPolarHBondContact O-CB 3.34Å; A267-A270 PolarHBondContact O-N 3.28Å; A267-V271 WeakPolarHBondContact O-CG2 3.41Å; A267-V271 PolarHBondContact O-N 2.91Å; A267-A287 HydrophobicContact CB-CB 4.08Å; A267-A287 WeakPolarHBondContact CB-O 3.45Å; A267-I290 HydrophobicContact CB-CB 3.87Å; A267-I290 HydrophobicContact CB-CG2 3.73Å; A267-A291 HydrophobicContact CB-CB 3.86Å; A267-I294 HydrophobicContact CB-CD1 4.33Å |
| 268 | V | 95.8 | Very high | 91.3 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 34% | 0.339 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 173.2 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | Y264 Q265 L266 V271 A272 A287 | Y264-V268 HydrophobicContact CD1-CG2 3.95Å; Y264-V268 HydrophobicContact CE1-CG2 3.51Å; Y264-V268 WeakPolarHBondContact O-CG2 3.47Å; Y264-V268 PolarHBondContact O-N 2.86Å; Q265-V268 PolarHBondContact O-N 3.38Å; L266-V268 PolarHBondContact O-N 3.43Å; V268-V271 PolarHBondContact O-N 3.33Å; V268-A272 PolarHBondContact O-N 3.09Å; V268-A272 VanDerWaalsContact O-N 3.08Å; V268-A287 HydrophobicContact CG2-CB 3.79Å |
| 269 | K | 95.8 | Very high | 91.8 | Very high | 116 Ų | 116 | 57.5 Ų | 57.5 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.2 | -67.4 | 174.3 | -176 | 175.3 | 0 | 111.3 | Q265 L266 A267 V271 A272 M273 | Q265-K269 WeakPolarHBondContact O-CG 3.41Å; Q265-K269 PolarHBondContact O-N 3.29Å; L266-K269 WeakPolarHBondContact O-CB 3.36Å; L266-K269 PolarHBondContact O-N 2.56Å; A267-K269 VanDerWaalsContact C-N 3.31Å; A267-K269 PolarHBondContact O-N 3.17Å; K269-V271 PolarHBondContact O-N 2.91Å; K269-A272 WeakPolarHBondContact O-CB 3.45Å; K269-A272 PolarHBondContact O-N 3.42Å; K269-A272 VanDerWaalsContact O-N 3.14Å; K269-M273 WeakPolarHBondContact O-CG 3.36Å; K269-M273 PolarHBondContact O-N 3.28Å |
| 270 | A | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I211 L266 A267 A272 M273 I274 I290 | I211-A270 HydrophobicContact CD1-CB 4.44Å; I211-A270 HydrophobicContact CG1-CB 4.35Å; I211-A270 HydrophobicContact CG2-CB 3.51Å; L266-A270 PolarHBondContact O-N 3.05Å; A267-A270 WeakPolarHBondContact O-CB 3.34Å; A267-A270 PolarHBondContact O-N 3.28Å; A270-A272 VanDerWaalsContact C-N 3.28Å; A270-A272 PolarHBondContact O-N 3.44Å; A270-M273 WeakPolarHBondContact O-CB 3.41Å; A270-M273 PolarHBondContact O-N 2.99Å; A270-M273 VanDerWaalsContact O-N 3.11Å; A270-I274 WeakPolarHBondContact O-CG1 3.47Å; A270-I274 PolarHBondContact O-N 2.96Å; A270-I290 HydrophobicContact CB-CD1 4.17Å; A270-I290 HydrophobicContact CB-CG2 4.07Å |
| 271 | V | 95.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 112 | A267 V268 K269 I274 K275 I282 E286 A287 I290 | A267-V271 WeakPolarHBondContact O-CG2 3.41Å; A267-V271 PolarHBondContact O-N 2.91Å; V268-V271 PolarHBondContact O-N 3.33Å; K269-V271 PolarHBondContact O-N 2.91Å; V271-I274 PolarHBondContact O-N 2.91Å; V271-K275 HydrophobicContact CG1-CD 4.12Å; V271-K275 HydrophobicContact CG1-CG 4.5Å; V271-K275 VanDerWaalsContact O-CG 3.31Å; V271-K275 WeakPolarHBondContact O-CG 3.5Å; V271-K275 PolarHBondContact O-N 3.09Å; V271-I282 HydrophobicContact CG1-CG2 4.14Å; V271-E286 HydrophobicContact CG2-CB 3.96Å; V271-E286 HydrophobicContact CG2-CG 4.35Å; V271-A287 HydrophobicContact CG2-CB 3.98Å; V271-I290 HydrophobicContact CG2-CD1 3.84Å |
| 272 | A | 94.6 | Very high | 92.4 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V268 K269 A270 K275 E276 | V268-A272 PolarHBondContact O-N 3.09Å; V268-A272 VanDerWaalsContact O-N 3.08Å; K269-A272 WeakPolarHBondContact O-CB 3.45Å; K269-A272 PolarHBondContact O-N 3.42Å; K269-A272 VanDerWaalsContact O-N 3.14Å; A270-A272 VanDerWaalsContact C-N 3.28Å; A270-A272 PolarHBondContact O-N 3.44Å; A272-K275 PolarHBondContact O-N 3.07Å; A272-E276 PolarHBondContact O-N 3.24Å; A272-E276 VanDerWaalsContact O-N 3.08Å |
| 273 | M | 95.4 | Very high | 92.4 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 175 | -66 | 172.1 | 69.5 | 0 | 0 | 111.5 | L207 E210 I211 V214 K269 A270 K275 E276 H277 | L207-M273 HydrophobicContact CD1-CB 4.39Å; E210-M273 HydrophobicContact CB-CE 3.77Å; I211-M273 HydrophobicContact CG1-CB 4.18Å; I211-M273 HydrophobicContact CG1-CE 4.03Å; I211-M273 HydrophobicContact CG1-SD 4.02Å; V214-M273 HydrophobicContact CB-SD 4.41Å; V214-M273 HydrophobicContact CG2-CE 4.17Å; V214-M273 HydrophobicContact CG2-SD 3.96Å; K269-M273 WeakPolarHBondContact O-CG 3.36Å; K269-M273 PolarHBondContact O-N 3.28Å; A270-M273 WeakPolarHBondContact O-CB 3.41Å; A270-M273 PolarHBondContact O-N 2.99Å; A270-M273 VanDerWaalsContact O-N 3.11Å; M273-K275 VanDerWaalsContact C-N 3.34Å; M273-K275 PolarHBondContact O-N 3.36Å; M273-E276 PolarHBondContact O-N 3.43Å; M273-H277 WeakPolarHBondContact O-CB 2.94Å; M273-H277 PolarHBondContact O-N 3.18Å; M273-H277 VanDerWaalsContact O-N 3.07Å |
| 274 | I | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.9 | -59.9 | 166.5 | 0 | 0 | 0 | 110.3 | L207 I211 I235 L238 L239 A270 V271 E276 H277 V278 I282 I290 | L207-I274 HydrophobicContact CD2-CG1 4.2Å; I211-I274 HydrophobicContact CD1-CD1 4.13Å; I211-I274 HydrophobicContact CD1-CG1 3.63Å; I235-I274 HydrophobicContact CD1-CD1 4.08Å; I235-I274 HydrophobicContact CG1-CD1 3.99Å; L238-I274 HydrophobicContact CD2-CD1 4.15Å; L238-I274 HydrophobicContact CD2-CG2 4.44Å; L239-I274 HydrophobicContact CD2-CG2 4.07Å; A270-I274 WeakPolarHBondContact O-CG1 3.47Å; A270-I274 PolarHBondContact O-N 2.96Å; V271-I274 PolarHBondContact O-N 2.91Å; I274-E276 VanDerWaalsContact C-N 3.27Å; I274-E276 PolarHBondContact O-N 2.61Å; I274-H277 PolarHBondContact O-N 3.1Å; I274-H277 VanDerWaalsContact O-N 3.17Å; I274-V278 HydrophobicContact CG2-CG2 4.03Å; I274-V278 WeakPolarHBondContact O-CG2 3.48Å; I274-V278 PolarHBondContact O-N 3.31Å; I274-I282 HydrophobicContact CG2-CD1 4.34Å; I274-I282 HydrophobicContact CG2-CG1 4.03Å; I274-I290 HydrophobicContact CD1-CD1 3.87Å |
| 275 | K | 93.2 | Very high | 91.9 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -31.9 | 177.4 | -75.9 | 171.5 | 176.3 | 177.5 | 0 | 113.9 | V271 A272 M273 I282 S284 | V271-K275 HydrophobicContact CG1-CD 4.12Å; V271-K275 HydrophobicContact CG1-CG 4.5Å; V271-K275 VanDerWaalsContact O-CG 3.31Å; V271-K275 WeakPolarHBondContact O-CG 3.5Å; V271-K275 PolarHBondContact O-N 3.09Å; A272-K275 PolarHBondContact O-N 3.07Å; M273-K275 VanDerWaalsContact C-N 3.34Å; M273-K275 PolarHBondContact O-N 3.36Å; K275-I282 WeakPolarHBondContact CE-O 3.46Å; K275-I282 HydrophobicContact CG-CB 3.79Å; K275-I282 HydrophobicContact CG-CG1 4.15Å; K275-I282 PolarHBondContact NZ-O 2.9Å; K275-S284 PolarHBondContact NZ-OG 2.86Å |
| 276 | E | 91.8 | Very high | 91.7 | Very high | 175 Ų | 175 | 55.6 Ų | 55.6 | 82% | 0.818 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -76.9 | -31.1 | 177.5 | -173 | 171 | -172.5 | 0 | 0 | 111.8 | A272 M273 I274 | A272-E276 PolarHBondContact O-N 3.24Å; A272-E276 VanDerWaalsContact O-N 3.08Å; M273-E276 PolarHBondContact O-N 3.43Å; I274-E276 VanDerWaalsContact C-N 3.27Å; I274-E276 PolarHBondContact O-N 2.61Å |
| 277 | H | 90 | Very high | 91.6 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -83.7 | -31.5 | -176 | -161.6 | 90.7 | 0 | 0 | 0 | 113.8 | L207 M273 I274 | L207-H277 HydrophobicContact CD1-CB 3.81Å; L207-H277 HydrophobicContact CD2-CB 3.88Å; L207-H277 HydrophobicContact CG-CB 4.4Å; M273-H277 WeakPolarHBondContact O-CB 2.94Å; M273-H277 PolarHBondContact O-N 3.18Å; M273-H277 VanDerWaalsContact O-N 3.07Å; I274-H277 PolarHBondContact O-N 3.1Å; I274-H277 VanDerWaalsContact O-N 3.17Å |
| 278 | V | 87.3 | Confident | 91.3 | Very high | 31 Ų | 31 | 55.3 Ų | 55.3 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | trans | -121.9 | 140.3 | -177.7 | -64 | 0 | 0 | 0 | 0 | 113.5 | L239 I274 L280 I282 | L239-V278 HydrophobicContact CD1-CG1 4.08Å; L239-V278 HydrophobicContact CD2-CB 4.19Å; L239-V278 HydrophobicContact CD2-CG1 3.97Å; L239-V278 HydrophobicContact CD2-CG2 3.48Å; L239-V278 VanDerWaalsContact CD2-CG2 3.48Å; I274-V278 HydrophobicContact CG2-CG2 4.03Å; I274-V278 WeakPolarHBondContact O-CG2 3.48Å; I274-V278 PolarHBondContact O-N 3.31Å; V278-L280 HydrophobicContact CG2-CB 4.29Å; V278-L280 PolarHBondContact O-N 3.16Å; V278-I282 HydrophobicContact CG2-CD1 4.21Å; V278-I282 HydrophobicContact CG2-CG1 4.26Å | ||
| 279 | D | 86.6 | Confident | 91.1 | Very high | 174 Ų | 174 | 54.9 Ų | 54.9 | 93% | 0.93 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -84.3 | 58.5 | 173.8 | -167.4 | 24.1 | 0 | 0 | 0 | 111.3 | ||
| 280 | L | 88.4 | Confident | 90.9 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 29% | 0.293 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -130.1 | 146.8 | 177.4 | -70.8 | 174.3 | 0 | 0 | 0 | 110.5 | L239 M242 V278 I282 | L239-L280 HydrophobicContact CD2-CD1 4.22Å; M242-L280 HydrophobicContact CB-CB 4.42Å; M242-L280 HydrophobicContact CB-CD1 4.21Å; V278-L280 HydrophobicContact CG2-CB 4.29Å; V278-L280 PolarHBondContact O-N 3.16Å; L280-I282 VanDerWaalsContact C-N 3.31Å; L280-I282 HydrophobicContact CB-CD1 4Å; L280-I282 PolarHBondContact O-N 3.22Å |
| 281 | P | 87.3 | Confident | 90.8 | Very high | 105 Ų | 105 | 49.3 Ų | 49.3 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | trans | -77.1 | 78.4 | -178.8 | 32.4 | -35.3 | 0 | 0 | 0 | 111.3 | P283 | P281-P283 VanDerWaalsContact O-CD 3.31Å; P281-P283 WeakPolarHBondContact O-CD 3.26Å | ||
| 282 | I | 90.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.046 | 27% | 0.272 | C | S | . | . | trans | -71.1 | 122.3 | 179.9 | -49.8 | -54.5 | 0 | 0 | 0 | 110.6 | L238 L239 M242 V271 I274 K275 V278 L280 E286 | L238-I282 HydrophobicContact CD1-CG2 4.44Å; L238-I282 HydrophobicContact CD2-CG2 4.18Å; L239-I282 HydrophobicContact CD2-CD1 4.01Å; M242-I282 HydrophobicContact CB-CD1 4.3Å; M242-I282 HydrophobicContact CG-CD1 3.8Å; V271-I282 HydrophobicContact CG1-CG2 4.14Å; I274-I282 HydrophobicContact CG2-CD1 4.34Å; I274-I282 HydrophobicContact CG2-CG1 4.03Å; K275-I282 WeakPolarHBondContact CE-O 3.46Å; K275-I282 HydrophobicContact CG-CB 3.79Å; K275-I282 HydrophobicContact CG-CG1 4.15Å; K275-I282 PolarHBondContact NZ-O 2.9Å; V278-I282 HydrophobicContact CG2-CD1 4.21Å; V278-I282 HydrophobicContact CG2-CG1 4.26Å; L280-I282 VanDerWaalsContact C-N 3.31Å; L280-I282 HydrophobicContact CB-CD1 4Å; L280-I282 PolarHBondContact O-N 3.22Å; I282-E286 HydrophobicContact CG2-CB 4.41Å | ||
| 283 | P | 88.5 | Confident | 90.4 | Very high | 30 Ų | 30 | 48 Ų | 48 | 20% | 0.195 | 26% | 0.255 | C | S | . | . | trans | -64 | 145.2 | 176.4 | -23.5 | 36.4 | 0 | 0 | 0 | 112.2 | M242 T247 P281 D285 E286 | M242-P283 HydrophobicContact CE-CG 4.43Å; M242-P283 WeakPolarHBondContact SD-CD 3.38Å; M242-P283 HydrophobicContact SD-CG 3.98Å; T247-P283 HydrophobicContact CG2-CG 4.1Å; P281-P283 VanDerWaalsContact O-CD 3.31Å; P281-P283 WeakPolarHBondContact O-CD 3.26Å; P283-D285 VanDerWaalsContact C-N 3.31Å; P283-D285 WeakPolarHBondContact CB-OD1 3.36Å; P283-E286 VanDerWaalsContact O-CB 3.25Å; P283-E286 WeakPolarHBondContact O-CB 3.3Å; P283-E286 PolarHBondContact O-N 3.45Å | ||
| 284 | S | 86.7 | Confident | 90.2 | Very high | 81 Ų | 81 | 46.1 Ų | 46.1 | 57% | 0.566 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -75.4 | -22.8 | -179.5 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | K275 E286 A287 | K275-S284 PolarHBondContact NZ-OG 2.86Å; S284-E286 PolarHBondContact O-N 3.42Å; S284-A287 PolarHBondContact O-N 3.38Å |
| 285 | D | 87.7 | Confident | 89.9 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 25% | 0.246 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -71.6 | -8 | 175.2 | 60.1 | -35.4 | 0 | 0 | 0 | 113.2 | S250 L253 P283 A287 N288 | S250-D285 PolarHBondContact OG-O 3.09Å; S250-D285 VanDerWaalsContact OG-O 3.1Å; L253-D285 HydrophobicContact CD2-CB 4.31Å; P283-D285 VanDerWaalsContact C-N 3.31Å; P283-D285 WeakPolarHBondContact CB-OD1 3.36Å; D285-A287 PolarHBondContact O-N 2.91Å; D285-N288 WeakPolarHBondContact O-CB 3.46Å; D285-N288 PolarHBondContact O-N 2.96Å |
| 286 | E | 90.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -59.7 | -26.9 | 169.2 | -166 | 58.4 | -145.8 | 0 | 0 | 112.9 | H234 L238 R241 V271 I282 P283 S284 N288 F289 I290 | H234-E286 IonicContact CD2-OE1 3.92Å; H234-E286 IonicContact CE1-OE1 2.91Å; H234-E286 PolarHBondContact CE1-OE1 2.98Å; H234-E286 IonicContact NE2-OE1 3.25Å; H234-E286 PolarHBondContact NE2-OE1 3.2Å; L238-E286 HydrophobicContact CD1-CG 4.04Å; L238-E286 HydrophobicContact CD2-CG 3.65Å; L238-E286 HydrophobicContact CG-CG 4.45Å; R241-E286 IonicContact CZ-OE1 3.95Å; R241-E286 IonicContact CZ-OE2 3.3Å; R241-E286 IonicContact NH2-OE1 2.86Å; R241-E286 PolarHBondContact NH2-OE1 3.21Å; R241-E286 IonicContact NH2-OE2 2.79Å; R241-E286 PolarHBondContact NH2-OE2 3.02Å; V271-E286 HydrophobicContact CG2-CB 3.96Å; V271-E286 HydrophobicContact CG2-CG 4.35Å; I282-E286 HydrophobicContact CG2-CB 4.41Å; P283-E286 VanDerWaalsContact O-CB 3.25Å; P283-E286 WeakPolarHBondContact O-CB 3.3Å; P283-E286 PolarHBondContact O-N 3.45Å; S284-E286 PolarHBondContact O-N 3.42Å; E286-N288 PolarHBondContact O-N 3.13Å; E286-F289 PolarHBondContact O-N 3.36Å; E286-I290 HydrophobicContact CG-CD1 4.45Å; E286-I290 PolarHBondContact O-N 2.89Å |
| 287 | A | 92.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -24.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y264 A267 V268 V271 S284 D285 A291 | Y264-A287 HydrophobicContact CD2-CB 4.39Å; Y264-A287 HydrophobicContact CE2-CB 3.75Å; A267-A287 HydrophobicContact CB-CB 4.08Å; A267-A287 WeakPolarHBondContact CB-O 3.45Å; V268-A287 HydrophobicContact CG2-CB 3.79Å; V271-A287 HydrophobicContact CG2-CB 3.98Å; S284-A287 PolarHBondContact O-N 3.38Å; D285-A287 PolarHBondContact O-N 2.91Å; A287-A291 WeakPolarHBondContact O-CB 3.43Å; A287-A291 PolarHBondContact O-N 3.24Å |
| 288 | N | 89.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 174.4 | -173.1 | 52.2 | 0 | 0 | 0 | 112.2 | S250 S251 L253 V256 D285 E286 A291 I292 | S250-N288 WeakPolarHBondContact OG-CB 3.13Å; S250-N288 VanDerWaalsContact OG-CG 3.26Å; S250-N288 PolarHBondContact OG-ND2 3.05Å; S251-N288 PolarHBondContact O-ND2 2.99Å; S251-N288 VanDerWaalsContact O-ND2 3.08Å; L253-N288 WeakPolarHBondContact CA-OD1 3.34Å; L253-N288 HydrophobicContact CD1-CB 3.8Å; V256-N288 WeakPolarHBondContact CB-OD1 3.32Å; V256-N288 WeakPolarHBondContact CG2-OD1 3.07Å; D285-N288 WeakPolarHBondContact O-CB 3.46Å; D285-N288 PolarHBondContact O-N 2.96Å; E286-N288 PolarHBondContact O-N 3.13Å; N288-A291 PolarHBondContact O-N 2.85Å; N288-I292 WeakPolarHBondContact O-CG1 3.37Å; N288-I292 PolarHBondContact O-N 3.13Å; N288-I292 VanDerWaalsContact O-N 3.16Å |
| 289 | F | 90.2 | Very high | 88.5 | Confident | 47 Ų | 47 | 30.2 Ų | 30.2 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.7 | -40.6 | -176.5 | -59.6 | -71.1 | 0 | 0 | 0 | 111.2 | H234 F248 E286 A291 I292 H293 | H234-F289 WeakPolarHBondContact CE1-CB 3.23Å; H234-F289 WeakPolarHBondContact NE2-CB 3.02Å; F248-F289 HydrophobicContact CB-CZ 4.39Å; E286-F289 PolarHBondContact O-N 3.36Å; F289-A291 VanDerWaalsContact C-N 3.32Å; F289-A291 PolarHBondContact O-N 3.02Å; F289-I292 PolarHBondContact O-N 3.02Å; F289-H293 PolarHBondContact O-CD2 2.89Å; F289-H293 PolarHBondContact O-N 3.04Å; F289-H293 VanDerWaalsContact O-N 3.14Å |
| 290 | I | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 174.5 | -63.6 | 177.7 | 0 | 0 | 0 | 110.8 | L231 A267 A270 V271 I274 E286 I292 H293 I294 | L231-I290 HydrophobicContact CD1-CG1 4.15Å; L231-I290 HydrophobicContact CD1-CG2 4.05Å; A267-I290 HydrophobicContact CB-CB 3.87Å; A267-I290 HydrophobicContact CB-CG2 3.73Å; A270-I290 HydrophobicContact CB-CD1 4.17Å; A270-I290 HydrophobicContact CB-CG2 4.07Å; V271-I290 HydrophobicContact CG2-CD1 3.84Å; I274-I290 HydrophobicContact CD1-CD1 3.87Å; E286-I290 HydrophobicContact CG-CD1 4.45Å; E286-I290 PolarHBondContact O-N 2.89Å; I290-I292 VanDerWaalsContact C-N 3.3Å; I290-I292 PolarHBondContact O-N 3.2Å; I290-H293 WeakPolarHBondContact O-CB 3.39Å; I290-H293 PolarHBondContact O-N 2.71Å; I290-H293 VanDerWaalsContact O-N 3.12Å; I290-I294 HydrophobicContact CG2-CD1 4.3Å; I290-I294 WeakPolarHBondContact O-CG1 3.48Å; I290-I294 PolarHBondContact O-N 2.79Å |
| 291 | A | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V256 Y264 A267 A287 N288 F289 H293 I294 V295 | V256-A291 HydrophobicContact CG1-CB 3.6Å; Y264-A291 HydrophobicContact CD2-CB 4.29Å; A267-A291 HydrophobicContact CB-CB 3.86Å; A287-A291 WeakPolarHBondContact O-CB 3.43Å; A287-A291 PolarHBondContact O-N 3.24Å; N288-A291 PolarHBondContact O-N 2.85Å; F289-A291 VanDerWaalsContact C-N 3.32Å; F289-A291 PolarHBondContact O-N 3.02Å; A291-H293 VanDerWaalsContact C-N 3.32Å; A291-H293 PolarHBondContact O-N 3.26Å; A291-I294 WeakPolarHBondContact O-CB 3.29Å; A291-I294 PolarHBondContact O-N 2.94Å; A291-V295 VanDerWaalsContact O-CG2 3.27Å; A291-V295 WeakPolarHBondContact O-CG2 3.43Å; A291-V295 PolarHBondContact O-N 2.85Å |
| 292 | I | 89.5 | Confident | 87.3 | Confident | 12 Ų | 12 | 24.1 Ų | 24.1 | 6% | 0.062 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.5 | -36.7 | 174.6 | -68.8 | -64.8 | 0 | 0 | 0 | 111.9 | V256 Y260 N288 F289 I290 V295 N296 I303 T306 V307 T310 | V256-I292 HydrophobicContact CG2-CD1 3.7Å; V256-I292 HydrophobicContact CG2-CG1 4.06Å; Y260-I292 HydrophobicContact CE2-CD1 4.47Å; N288-I292 WeakPolarHBondContact O-CG1 3.37Å; N288-I292 PolarHBondContact O-N 3.13Å; N288-I292 VanDerWaalsContact O-N 3.16Å; F289-I292 PolarHBondContact O-N 3.02Å; I290-I292 VanDerWaalsContact C-N 3.3Å; I290-I292 PolarHBondContact O-N 3.2Å; I292-V295 PolarHBondContact O-N 3.03Å; I292-N296 VanDerWaalsContact O-CB 3.29Å; I292-N296 WeakPolarHBondContact O-CB 3.35Å; I292-N296 PolarHBondContact O-N 3.06Å; I292-I303 HydrophobicContact CG2-CD1 3.78Å; I292-I303 HydrophobicContact CG2-CG1 4.38Å; I292-T306 HydrophobicContact CG2-CG2 4.26Å; I292-V307 HydrophobicContact CG2-CG2 3.81Å; I292-T310 HydrophobicContact CD1-CG2 4.21Å |
| 293 | H | 91.1 | Very high | 86.9 | Confident | 20 Ų | 20 | 26.2 Ų | 26.2 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 173.4 | -75.4 | -67.1 | 0 | 0 | 0 | 112.6 | L231 H234 F289 I290 A291 N296 S297 | L231-H293 HydrophobicContact CD1-CB 4.47Å; H234-H293 WeakPolarHBondContact CB-NE2 3.41Å; H234-H293 AromaticContact CD2-CD2 3.82Å; H234-H293 AromaticContact CD2-NE2 3.89Å; H234-H293 AromaticContact CG-CD2 3.66Å; H234-H293 AromaticContact CG-NE2 3.26Å; H234-H293 VanDerWaalsContact CG-NE2 3.26Å; H234-H293 AromaticContact ND1-NE2 3.38Å; H234-H293 PolarHBondContact ND1-NE2 2.98Å; F289-H293 PolarHBondContact O-CD2 2.89Å; F289-H293 PolarHBondContact O-N 3.04Å; F289-H293 VanDerWaalsContact O-N 3.14Å; I290-H293 WeakPolarHBondContact O-CB 3.39Å; I290-H293 PolarHBondContact O-N 2.71Å; I290-H293 VanDerWaalsContact O-N 3.12Å; A291-H293 VanDerWaalsContact C-N 3.32Å; A291-H293 PolarHBondContact O-N 3.26Å; H293-N296 PolarHBondContact O-N 3.26Å; H293-S297 PolarHBondContact O-N 3.28Å |
| 294 | I | 92.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 174 | -62 | 169.3 | 0 | 0 | 0 | 109.6 | I215 I223 I227 E263 L266 A267 I290 A291 N296 S297 E298 | I215-I294 HydrophobicContact CD1-CD1 3.86Å; I215-I294 HydrophobicContact CD1-CG1 3.88Å; I215-I294 HydrophobicContact CG1-CD1 3.93Å; I215-I294 HydrophobicContact CG1-CG1 4.32Å; I215-I294 HydrophobicContact CG2-CD1 4.2Å; I215-I294 HydrophobicContact CG2-CG1 4.04Å; I215-I294 HydrophobicContact CG2-CG2 4.11Å; I223-I294 HydrophobicContact CD1-CG2 4.11Å; I227-I294 HydrophobicContact CD1-CG1 4.43Å; E263-I294 HydrophobicContact CB-CB 4.34Å; E263-I294 HydrophobicContact CB-CG2 4.02Å; E263-I294 HydrophobicContact CG-CG2 3.8Å; L266-I294 HydrophobicContact CB-CD1 3.99Å; A267-I294 HydrophobicContact CB-CD1 4.33Å; I290-I294 HydrophobicContact CG2-CD1 4.3Å; I290-I294 WeakPolarHBondContact O-CG1 3.48Å; I290-I294 PolarHBondContact O-N 2.79Å; A291-I294 WeakPolarHBondContact O-CB 3.29Å; A291-I294 PolarHBondContact O-N 2.94Å; I294-N296 VanDerWaalsContact C-N 3.32Å; I294-N296 PolarHBondContact O-N 2.81Å; I294-S297 WeakPolarHBondContact O-CB 3.19Å; I294-S297 PolarHBondContact O-N 3.12Å; I294-S297 VanDerWaalsContact O-N 3.16Å; I294-S297 PolarHBondContact O-OG 2.76Å; I294-E298 PolarHBondContact O-N 2.6Å |
| 295 | V | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 178.7 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | Y260 E263 A291 I292 S297 E298 M299 T306 | Y260-V295 HydrophobicContact CD1-CG2 3.98Å; Y260-V295 HydrophobicContact CD2-CG2 3.74Å; Y260-V295 HydrophobicContact CE1-CG1 4.19Å; Y260-V295 HydrophobicContact CE1-CG2 4.39Å; Y260-V295 HydrophobicContact CE2-CG1 4.18Å; Y260-V295 HydrophobicContact CE2-CG2 4.12Å; Y260-V295 HydrophobicContact CG-CG2 3.64Å; E263-V295 HydrophobicContact CB-CG2 4.13Å; E263-V295 HydrophobicContact CG-CG2 3.9Å; A291-V295 VanDerWaalsContact O-CG2 3.27Å; A291-V295 WeakPolarHBondContact O-CG2 3.43Å; A291-V295 PolarHBondContact O-N 2.85Å; I292-V295 PolarHBondContact O-N 3.03Å; V295-S297 VanDerWaalsContact C-N 3.3Å; V295-S297 PolarHBondContact O-N 3.43Å; V295-E298 WeakPolarHBondContact O-CB 3.44Å; V295-E298 PolarHBondContact O-N 2.82Å; V295-E298 VanDerWaalsContact O-N 3.07Å; V295-M299 HydrophobicContact CG1-CE 3.55Å; V295-M299 HydrophobicContact CG1-SD 4.45Å; V295-M299 PolarHBondContact O-N 2.7Å; V295-T306 HydrophobicContact CB-CG2 4.4Å; V295-T306 HydrophobicContact CG1-CG2 3.91Å |
| 296 | N | 87.5 | Confident | 86.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 177.1 | -169 | 67 | 0 | 0 | 0 | 111.7 | I292 H293 I294 E298 M299 D300 L301 I303 T306 | I292-N296 VanDerWaalsContact O-CB 3.29Å; I292-N296 WeakPolarHBondContact O-CB 3.35Å; I292-N296 PolarHBondContact O-N 3.06Å; H293-N296 PolarHBondContact O-N 3.26Å; I294-N296 VanDerWaalsContact C-N 3.32Å; I294-N296 PolarHBondContact O-N 2.81Å; N296-E298 PolarHBondContact O-N 3.06Å; N296-M299 PolarHBondContact O-N 2.89Å; N296-M299 VanDerWaalsContact O-N 3.1Å; N296-D300 PolarHBondContact O-N 2.92Å; N296-L301 PolarHBondContact ND2-O 3.26Å; N296-L301 PolarHBondContact OD1-O 3.05Å; N296-L301 VanDerWaalsContact OD1-O 3.06Å; N296-I303 HydrophobicContact CB-CD1 3.61Å; N296-T306 HydrophobicContact CB-CG2 4.01Å; N296-T306 WeakPolarHBondContact OD1-CB 2.88Å; N296-T306 PolarHBondContact OD1-OG1 2.81Å |
| 297 | S | 85.3 | Confident | 86 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65 | -19.1 | 175.4 | 80.4 | 0 | 0 | 0 | 0 | 113.5 | I223 N224 H293 I294 V295 | I223-S297 VanDerWaalsContact CD1-OG 3.29Å; I223-S297 WeakPolarHBondContact CD1-OG 3.36Å; N224-S297 WeakPolarHBondContact CB-O 3.49Å; N224-S297 PolarHBondContact N-O 2.99Å; H293-S297 PolarHBondContact O-N 3.28Å; I294-S297 WeakPolarHBondContact O-CB 3.19Å; I294-S297 PolarHBondContact O-N 3.12Å; I294-S297 VanDerWaalsContact O-N 3.16Å; I294-S297 PolarHBondContact O-OG 2.76Å; V295-S297 VanDerWaalsContact C-N 3.3Å; V295-S297 PolarHBondContact O-N 3.43Å |
| 298 | E | 81.4 | Confident | 85.8 | Confident | 32 Ų | 32 | 32.4 Ų | 32.4 | 15% | 0.15 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -84 | -28.5 | 172.9 | -60.7 | -179.3 | 179.3 | 0 | 0 | 112.6 | K221 I223 I294 V295 N296 R345 | K221-E298 HydrophobicContact CB-CG 4.45Å; K221-E298 VanDerWaalsContact CD-CD 3.43Å; K221-E298 WeakPolarHBondContact CD-OE1 3.46Å; K221-E298 WeakPolarHBondContact CD-OE2 3.49Å; K221-E298 IonicContact NZ-OE1 3.6Å; K221-E298 IonicContact NZ-OE2 3.78Å; K221-E298 PolarHBondContact NZ-OE2 3.26Å; I223-E298 HydrophobicContact CD1-CG 4.42Å; I294-E298 PolarHBondContact O-N 2.6Å; V295-E298 WeakPolarHBondContact O-CB 3.44Å; V295-E298 PolarHBondContact O-N 2.82Å; V295-E298 VanDerWaalsContact O-N 3.07Å; N296-E298 PolarHBondContact O-N 3.06Å; E298-R345 IonicContact OE2-CZ 3.37Å; E298-R345 IonicContact OE2-NH1 2.75Å; E298-R345 PolarHBondContact OE2-NH1 3.01Å; E298-R345 IonicContact OE2-NH2 2.88Å; E298-R345 PolarHBondContact OE2-NH2 3.43Å |
| 299 | M | 77.9 | Confident | 85.7 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -94.4 | -24.8 | -175 | -63.5 | -173.9 | -172.6 | 0 | 0 | 113.8 | V295 N296 L301 T306 I309 R345 Q349 | V295-M299 HydrophobicContact CG1-CE 3.55Å; V295-M299 HydrophobicContact CG1-SD 4.45Å; V295-M299 PolarHBondContact O-N 2.7Å; N296-M299 PolarHBondContact O-N 2.89Å; N296-M299 VanDerWaalsContact O-N 3.1Å; M299-L301 HydrophobicContact CB-CB 4.48Å; M299-L301 HydrophobicContact CB-CD1 3.97Å; M299-L301 HydrophobicContact CB-CG 3.92Å; M299-L301 HydrophobicContact SD-CD1 4.14Å; M299-T306 HydrophobicContact SD-CG2 4.22Å; M299-I309 HydrophobicContact CE-CG2 4.3Å; M299-I309 HydrophobicContact SD-CD1 3.94Å; M299-I309 HydrophobicContact SD-CG2 4.49Å; M299-R345 HydrophobicContact CE-CG 3.21Å; M299-Q349 PolarHBondContact O-NE2 2.71Å |
| 300 | D | 78.5 | Confident | 85.6 | Confident | 87 Ų | 87 | 30 Ų | 30 | 47% | 0.465 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 54.5 | -173.5 | -163.5 | 25.9 | 0 | 0 | 0 | 112.7 | N224 N296 | N224-D300 PolarHBondContact ND2-OD1 3.39Å; N224-D300 VanDerWaalsContact ND2-OD1 3.13Å; N224-D300 PolarHBondContact ND2-OD2 3.49Å; N296-D300 PolarHBondContact O-N 2.92Å |
| 301 | L | 78.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -118.3 | 174.7 | 179 | -65.1 | 178.4 | 0 | 0 | 0 | 111.3 | N296 M299 E305 I309 Q349 V352 Q353 | N296-L301 PolarHBondContact ND2-O 3.26Å; N296-L301 PolarHBondContact OD1-O 3.05Å; N296-L301 VanDerWaalsContact OD1-O 3.06Å; M299-L301 HydrophobicContact CB-CB 4.48Å; M299-L301 HydrophobicContact CB-CD1 3.97Å; M299-L301 HydrophobicContact CB-CG 3.92Å; M299-L301 HydrophobicContact SD-CD1 4.14Å; L301-E305 HydrophobicContact CB-CB 4.26Å; L301-E305 HydrophobicContact CD1-CB 4.38Å; L301-I309 HydrophobicContact CD1-CD1 3.36Å; L301-Q349 HydrophobicContact CD1-CG 4.25Å; L301-V352 HydrophobicContact CD1-CG1 4.41Å; L301-V352 HydrophobicContact CD2-CG1 4.05Å; L301-Q353 HydrophobicContact CD2-CG 3.53Å |
| 302 | E | 79.2 | Confident | 85.3 | Confident | 111 Ų | 111 | 33.3 Ų | 33.3 | 52% | 0.519 | 17% | 0.167 | S | C | . | . | trans | -69.4 | 141.8 | 163 | -75.4 | -59.9 | 129.1 | 0 | 0 | 110.2 | K226 Q304 E305 T306 | K226-E302 IonicContact NZ-OE1 2.9Å; K226-E302 PolarHBondContact NZ-OE1 3.36Å; E302-Q304 PolarHBondContact O-N 3.09Å; E302-Q304 VanDerWaalsContact O-N 3.1Å; E302-E305 HydrophobicContact CB-CG 4.07Å; E302-E305 PolarHBondContact N-OE2 3.49Å; E302-E305 WeakPolarHBondContact O-CA 2.88Å; E302-E305 WeakPolarHBondContact O-CB 3.07Å; E302-E305 PolarHBondContact O-N 3.35Å; E302-T306 PolarHBondContact O-N 2.86Å; E302-T306 VanDerWaalsContact O-N 3.16Å | ||
| 303 | I | 82 | Confident | 85.3 | Confident | 53 Ų | 53 | 32.8 Ų | 32.8 | 27% | 0.272 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.7 | -33.8 | -172.3 | -162.9 | 64.6 | 0 | 0 | 0 | 112.3 | I292 N296 E305 T306 V307 | I292-I303 HydrophobicContact CG2-CD1 3.78Å; I292-I303 HydrophobicContact CG2-CG1 4.38Å; N296-I303 HydrophobicContact CB-CD1 3.61Å; I303-E305 VanDerWaalsContact C-N 3.31Å; I303-E305 PolarHBondContact O-N 3.32Å; I303-T306 PolarHBondContact O-N 3.28Å; I303-V307 WeakPolarHBondContact O-CG2 3.32Å; I303-V307 PolarHBondContact O-N 2.89Å |
| 304 | Q | 79.5 | Confident | 85 | Confident | 162 Ų | 162 | 33.1 Ų | 33.1 | 76% | 0.757 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -65 | -34.8 | 176.4 | -66.5 | -176.2 | -9.5 | 0 | 0 | 112 | E302 G308 | E302-Q304 PolarHBondContact O-N 3.09Å; E302-Q304 VanDerWaalsContact O-N 3.1Å; Q304-G308 PolarHBondContact O-N 2.88Å |
| 305 | E | 85.5 | Confident | 84.9 | Confident | 75 Ų | 75 | 37 Ų | 37 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.6 | -40.4 | 177.3 | -59.3 | 177.7 | 140.6 | 0 | 0 | 110.6 | L301 E302 I303 G308 I309 V352 | L301-E305 HydrophobicContact CB-CB 4.26Å; L301-E305 HydrophobicContact CD1-CB 4.38Å; E302-E305 HydrophobicContact CB-CG 4.07Å; E302-E305 PolarHBondContact N-OE2 3.49Å; E302-E305 WeakPolarHBondContact O-CA 2.88Å; E302-E305 WeakPolarHBondContact O-CB 3.07Å; E302-E305 PolarHBondContact O-N 3.35Å; I303-E305 VanDerWaalsContact C-N 3.31Å; I303-E305 PolarHBondContact O-N 3.32Å; E305-G308 CarbonylContact O-C 3.48Å; E305-G308 WeakPolarHBondContact O-CA 3.49Å; E305-G308 PolarHBondContact O-N 3.03Å; E305-G308 VanDerWaalsContact O-N 3.15Å; E305-I309 VanDerWaalsContact O-CG1 3.32Å; E305-I309 WeakPolarHBondContact O-CG1 3.48Å; E305-I309 PolarHBondContact O-N 3.11Å; E305-V352 HydrophobicContact CB-CG1 4.03Å; E305-V352 HydrophobicContact CG-CG1 4Å; E305-V352 VanDerWaalsContact OE1-CG1 3.26Å; E305-V352 WeakPolarHBondContact OE1-CG1 3.29Å; E305-V352 WeakPolarHBondContact OE2-CG1 3.42Å |
| 306 | T | 85.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 175.5 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | I292 V295 N296 M299 E302 I303 G308 I309 T310 | I292-T306 HydrophobicContact CG2-CG2 4.26Å; V295-T306 HydrophobicContact CB-CG2 4.4Å; V295-T306 HydrophobicContact CG1-CG2 3.91Å; N296-T306 HydrophobicContact CB-CG2 4.01Å; N296-T306 WeakPolarHBondContact OD1-CB 2.88Å; N296-T306 PolarHBondContact OD1-OG1 2.81Å; M299-T306 HydrophobicContact SD-CG2 4.22Å; E302-T306 PolarHBondContact O-N 2.86Å; E302-T306 VanDerWaalsContact O-N 3.16Å; I303-T306 PolarHBondContact O-N 3.28Å; T306-G308 VanDerWaalsContact C-N 3.34Å; T306-I309 PolarHBondContact O-N 2.92Å; T306-T310 WeakPolarHBondContact O-CB 3.45Å; T306-T310 PolarHBondContact O-N 2.91Å; T306-T310 PolarHBondContact O-OG1 2.96Å |
| 307 | V | 85.6 | Confident | 84.8 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 28% | 0.279 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 170 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | L252 I292 I303 I309 T310 E311 | L252-V307 HydrophobicContact CD1-CG1 4.1Å; I292-V307 HydrophobicContact CG2-CG2 3.81Å; I303-V307 WeakPolarHBondContact O-CG2 3.32Å; I303-V307 PolarHBondContact O-N 2.89Å; V307-I309 PolarHBondContact O-N 3.38Å; V307-T310 WeakPolarHBondContact O-CB 3.39Å; V307-T310 PolarHBondContact O-N 3Å; V307-T310 VanDerWaalsContact O-N 3.15Å; V307-E311 HydrophobicContact CG1-CG 4.47Å; V307-E311 WeakPolarHBondContact O-CG 3.48Å; V307-E311 PolarHBondContact O-N 3.18Å |
| 308 | G | 87.7 | Confident | 84.8 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.5 | -46.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q304 E305 T306 T310 E311 T312 K390 | Q304-G308 PolarHBondContact O-N 2.88Å; E305-G308 CarbonylContact O-C 3.48Å; E305-G308 WeakPolarHBondContact O-CA 3.49Å; E305-G308 PolarHBondContact O-N 3.03Å; E305-G308 VanDerWaalsContact O-N 3.15Å; T306-G308 VanDerWaalsContact C-N 3.34Å; G308-T310 PolarHBondContact O-N 2.92Å; G308-E311 PolarHBondContact O-N 3.23Å; G308-T312 PolarHBondContact O-N 3.49Å; G308-T312 PolarHBondContact O-OG1 2.96Å; G308-K390 WeakPolarHBondContact O-CE 3.41Å; G308-K390 PolarHBondContact O-NZ 3.4Å |
| 309 | I | 88.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 176.1 | -71.9 | 172.3 | 0 | 0 | 0 | 110.4 | M299 L301 E305 T306 V307 E311 T312 I313 R345 L348 Q349 V352 Y391 | M299-I309 HydrophobicContact CE-CG2 4.3Å; M299-I309 HydrophobicContact SD-CD1 3.94Å; M299-I309 HydrophobicContact SD-CG2 4.49Å; L301-I309 HydrophobicContact CD1-CD1 3.36Å; E305-I309 VanDerWaalsContact O-CG1 3.32Å; E305-I309 WeakPolarHBondContact O-CG1 3.48Å; E305-I309 PolarHBondContact O-N 3.11Å; T306-I309 PolarHBondContact O-N 2.92Å; V307-I309 PolarHBondContact O-N 3.38Å; I309-E311 PolarHBondContact O-N 3.4Å; I309-T312 PolarHBondContact O-N 3.26Å; I309-T312 VanDerWaalsContact O-N 3.13Å; I309-I313 HydrophobicContact CG2-CD1 3.82Å; I309-I313 HydrophobicContact CG2-CG1 4.35Å; I309-I313 VanDerWaalsContact O-CG1 3.32Å; I309-I313 WeakPolarHBondContact O-CG1 3.48Å; I309-I313 PolarHBondContact O-N 3.48Å; I309-R345 HydrophobicContact CG2-CG 4.39Å; I309-L348 HydrophobicContact CG1-CB 3.99Å; I309-L348 HydrophobicContact CG2-CB 4.1Å; I309-L348 HydrophobicContact CG2-CD1 4.12Å; I309-Q349 HydrophobicContact CD1-CB 4.38Å; I309-V352 HydrophobicContact CD1-CG2 4.25Å; I309-V352 HydrophobicContact CG1-CG2 4.31Å; I309-Y391 WeakPolarHBondContact CA-OH 3.31Å |
| 310 | T | 87.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | -178.7 | -59.8 | 0 | 0 | 0 | 0 | 112 | V256 L259 Y260 I292 T306 V307 G308 I313 N314 | V256-T310 HydrophobicContact CG2-CG2 4.23Å; L259-T310 HydrophobicContact CD1-CG2 4.14Å; Y260-T310 HydrophobicContact CE2-CG2 3.6Å; Y260-T310 WeakPolarHBondContact CE2-OG1 3.48Å; Y260-T310 PolarHBondContact OH-OG1 3.04Å; I292-T310 HydrophobicContact CD1-CG2 4.21Å; T306-T310 WeakPolarHBondContact O-CB 3.45Å; T306-T310 PolarHBondContact O-N 2.91Å; T306-T310 PolarHBondContact O-OG1 2.96Å; V307-T310 WeakPolarHBondContact O-CB 3.39Å; V307-T310 PolarHBondContact O-N 3Å; V307-T310 VanDerWaalsContact O-N 3.15Å; G308-T310 PolarHBondContact O-N 2.92Å; T310-I313 PolarHBondContact O-N 3.11Å; T310-N314 PolarHBondContact O-N 3.24Å; T310-N314 VanDerWaalsContact O-N 3.1Å |
| 311 | E | 88.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 41 Ų | 41 | 33% | 0.327 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -42.6 | 173.2 | -73.6 | 176.9 | 163.1 | 0 | 0 | 112.5 | L252 V307 G308 I309 N314 Q315 K390 | L252-E311 HydrophobicContact CD1-CG 3.53Å; L252-E311 HydrophobicContact CD2-CG 3.82Å; L252-E311 HydrophobicContact CG-CG 4.31Å; V307-E311 HydrophobicContact CG1-CG 4.47Å; V307-E311 WeakPolarHBondContact O-CG 3.48Å; V307-E311 PolarHBondContact O-N 3.18Å; G308-E311 PolarHBondContact O-N 3.23Å; I309-E311 PolarHBondContact O-N 3.4Å; E311-N314 PolarHBondContact O-N 3.32Å; E311-Q315 WeakPolarHBondContact O-CG 3.39Å; E311-Q315 PolarHBondContact O-N 2.91Å; E311-K390 IonicContact OE2-NZ 2.98Å; E311-K390 PolarHBondContact OE2-NZ 3Å |
| 312 | T | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 179.6 | -50 | 0 | 0 | 0 | 0 | 110.5 | G308 I309 N314 Q315 V316 L348 V386 I387 K390 Y391 | G308-T312 PolarHBondContact O-N 3.49Å; G308-T312 PolarHBondContact O-OG1 2.96Å; I309-T312 PolarHBondContact O-N 3.26Å; I309-T312 VanDerWaalsContact O-N 3.13Å; T312-N314 VanDerWaalsContact C-N 3.26Å; T312-N314 PolarHBondContact O-N 2.89Å; T312-Q315 PolarHBondContact O-N 3.46Å; T312-V316 HydrophobicContact CG2-CG2 4.34Å; T312-V316 WeakPolarHBondContact O-CB 3.37Å; T312-V316 WeakPolarHBondContact O-CG2 3.48Å; T312-V316 PolarHBondContact O-N 3.27Å; T312-L348 HydrophobicContact CG2-CD1 3.78Å; T312-L348 HydrophobicContact CG2-CD2 3.81Å; T312-L348 HydrophobicContact CG2-CG 4.47Å; T312-V386 HydrophobicContact CG2-CG1 4.48Å; T312-I387 HydrophobicContact CG2-CG1 4.31Å; T312-K390 WeakPolarHBondContact OG1-CD 3.45Å; T312-K390 WeakPolarHBondContact OG1-CE 3.45Å; T312-K390 PolarHBondContact OG1-NZ 3.12Å; T312-Y391 HydrophobicContact CG2-CE2 4.01Å; T312-Y391 PolarHBondContact OG1-OH 3.5Å |
| 313 | I | 89.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.9 | -47.7 | 175.3 | -67.6 | 167.8 | 0 | 0 | 0 | 109.2 | L259 I309 T310 Q315 V316 M317 A341 L344 R345 L348 | L259-I313 HydrophobicContact CD1-CB 4.06Å; L259-I313 HydrophobicContact CD1-CG2 3.67Å; L259-I313 HydrophobicContact CD2-CG2 3.54Å; L259-I313 HydrophobicContact CG-CG2 4.25Å; I309-I313 HydrophobicContact CG2-CD1 3.82Å; I309-I313 HydrophobicContact CG2-CG1 4.35Å; I309-I313 VanDerWaalsContact O-CG1 3.32Å; I309-I313 WeakPolarHBondContact O-CG1 3.48Å; I309-I313 PolarHBondContact O-N 3.48Å; T310-I313 PolarHBondContact O-N 3.11Å; I313-Q315 PolarHBondContact O-N 3.46Å; I313-V316 PolarHBondContact O-N 3.18Å; I313-M317 HydrophobicContact CG2-CG 4.26Å; I313-M317 WeakPolarHBondContact O-CB 3.48Å; I313-M317 VanDerWaalsContact O-CG 3.23Å; I313-M317 WeakPolarHBondContact O-CG 3.25Å; I313-M317 PolarHBondContact O-N 3.17Å; I313-A341 HydrophobicContact CG2-CB 4.24Å; I313-L344 HydrophobicContact CB-CD2 4.21Å; I313-L344 HydrophobicContact CG1-CB 4.48Å; I313-L344 HydrophobicContact CG1-CD2 4.04Å; I313-L344 HydrophobicContact CG1-CG 4.09Å; I313-L344 HydrophobicContact CG2-CD2 4.22Å; I313-R345 HydrophobicContact CD1-CB 3.77Å; I313-R345 HydrophobicContact CD1-CG 4.09Å; I313-L348 HydrophobicContact CG1-CD1 3.73Å |
| 314 | N | 86.2 | Confident | 85.5 | Confident | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 179 | -168.5 | 69.2 | 0 | 0 | 0 | 113.1 | N255 T310 E311 T312 V316 M317 N318 | N255-N314 HydrophobicContact CB-CB 4.31Å; N255-N314 VanDerWaalsContact CG-OD1 3.23Å; N255-N314 VanDerWaalsContact ND2-CG 3.27Å; N255-N314 PolarHBondContact ND2-ND2 3.49Å; N255-N314 VanDerWaalsContact ND2-ND2 3.15Å; N255-N314 PolarHBondContact OD1-ND2 2.69Å; N255-N314 PolarHBondContact OD1-OD1 3.16Å; N255-N314 VanDerWaalsContact OD1-OD1 3.07Å; T310-N314 PolarHBondContact O-N 3.24Å; T310-N314 VanDerWaalsContact O-N 3.1Å; E311-N314 PolarHBondContact O-N 3.32Å; T312-N314 VanDerWaalsContact C-N 3.26Å; T312-N314 PolarHBondContact O-N 2.89Å; N314-V316 VanDerWaalsContact C-N 3.33Å; N314-V316 PolarHBondContact O-N 3.06Å; N314-M317 PolarHBondContact O-N 2.82Å; N314-N318 VanDerWaalsContact O-CG 3.26Å; N314-N318 PolarHBondContact O-N 2.89Å; N314-N318 PolarHBondContact O-OD1 3.26Å |
| 315 | Q | 89 | Confident | 84.8 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 175.9 | -73.7 | 173.4 | -7.5 | 0 | 0 | 111.7 | E311 T312 I313 N318 V319 V386 | E311-Q315 WeakPolarHBondContact O-CG 3.39Å; E311-Q315 PolarHBondContact O-N 2.91Å; T312-Q315 PolarHBondContact O-N 3.46Å; I313-Q315 PolarHBondContact O-N 3.46Å; Q315-N318 PolarHBondContact O-N 3.39Å; Q315-V319 WeakPolarHBondContact O-CG2 3.4Å; Q315-V319 PolarHBondContact O-N 2.98Å; Q315-V386 HydrophobicContact CB-CG1 4.11Å |
| 316 | V | 89.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -42.5 | 177.1 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | T312 I313 N314 N318 V319 I320 F340 L344 I383 V386 | T312-V316 HydrophobicContact CG2-CG2 4.34Å; T312-V316 WeakPolarHBondContact O-CB 3.37Å; T312-V316 WeakPolarHBondContact O-CG2 3.48Å; T312-V316 PolarHBondContact O-N 3.27Å; I313-V316 PolarHBondContact O-N 3.18Å; N314-V316 VanDerWaalsContact C-N 3.33Å; N314-V316 PolarHBondContact O-N 3.06Å; V316-N318 VanDerWaalsContact C-N 3.32Å; V316-N318 PolarHBondContact O-N 3.38Å; V316-V319 PolarHBondContact O-N 3.31Å; V316-I320 HydrophobicContact CG1-CD1 4.04Å; V316-I320 WeakPolarHBondContact O-CG1 3.26Å; V316-I320 PolarHBondContact O-N 2.97Å; V316-F340 HydrophobicContact CG1-CE1 4.28Å; V316-L344 HydrophobicContact CB-CD2 3.6Å; V316-L344 HydrophobicContact CG1-CD1 4.44Å; V316-L344 HydrophobicContact CG1-CD2 3.44Å; V316-L344 VanDerWaalsContact CG1-CD2 3.44Å; V316-L344 HydrophobicContact CG2-CD2 4.1Å; V316-I383 HydrophobicContact CG1-CD1 3.97Å; V316-I383 HydrophobicContact CG1-CG1 3.95Å; V316-I383 HydrophobicContact CG1-CG2 3.86Å; V316-I383 HydrophobicContact CG2-CG2 3.96Å; V316-V386 HydrophobicContact CG2-CG1 4.36Å |
| 317 | M | 85.3 | Confident | 81.8 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.4 | -70.4 | -56.8 | -60.3 | 0 | 0 | 111.4 | I313 N314 I320 E321 R337 F340 | I313-M317 HydrophobicContact CG2-CG 4.26Å; I313-M317 WeakPolarHBondContact O-CB 3.48Å; I313-M317 VanDerWaalsContact O-CG 3.23Å; I313-M317 WeakPolarHBondContact O-CG 3.25Å; I313-M317 PolarHBondContact O-N 3.17Å; N314-M317 PolarHBondContact O-N 2.82Å; M317-I320 PolarHBondContact O-N 2.81Å; M317-E321 WeakPolarHBondContact O-CG 3.37Å; M317-E321 PolarHBondContact O-N 3.5Å; M317-R337 HydrophobicContact CE-CG 3.65Å; M317-F340 HydrophobicContact SD-CD1 3.64Å; M317-F340 HydrophobicContact SD-CE1 3.99Å |
| 318 | N | 84.8 | Confident | 80.3 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 34% | 0.337 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.5 | -70.6 | -9.2 | 0 | 0 | 0 | 112.2 | N314 Q315 V316 I320 E321 E322 | N314-N318 VanDerWaalsContact O-CG 3.26Å; N314-N318 PolarHBondContact O-N 2.89Å; N314-N318 PolarHBondContact O-OD1 3.26Å; Q315-N318 PolarHBondContact O-N 3.39Å; V316-N318 VanDerWaalsContact C-N 3.32Å; V316-N318 PolarHBondContact O-N 3.38Å; N318-I320 VanDerWaalsContact C-N 3.26Å; N318-I320 PolarHBondContact O-N 3.24Å; N318-E321 PolarHBondContact O-N 2.97Å; N318-E322 WeakPolarHBondContact O-CB 3.44Å; N318-E322 WeakPolarHBondContact O-CG 3.28Å; N318-E322 PolarHBondContact O-N 2.85Å |
| 319 | V | 87.4 | Confident | 78.7 | Confident | 22 Ų | 22 | 51 Ų | 51 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -41.9 | 174.7 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | Q315 V316 D323 K382 I383 V386 | Q315-V319 WeakPolarHBondContact O-CG2 3.4Å; Q315-V319 PolarHBondContact O-N 2.98Å; V316-V319 PolarHBondContact O-N 3.31Å; V319-D323 WeakPolarHBondContact O-CB 3.23Å; V319-D323 PolarHBondContact O-N 3.02Å; V319-K382 HydrophobicContact CG1-CB 3.81Å; V319-K382 HydrophobicContact CG1-CD 4.36Å; V319-I383 HydrophobicContact CG1-CG1 4.06Å; V319-V386 HydrophobicContact CG2-CG2 4.29Å |
| 320 | I | 85.1 | Confident | 76.8 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 177.5 | -65.2 | 165.2 | 0 | 0 | 0 | 110.6 | V316 M317 N318 E322 D323 M324 F340 I383 | V316-I320 HydrophobicContact CG1-CD1 4.04Å; V316-I320 WeakPolarHBondContact O-CG1 3.26Å; V316-I320 PolarHBondContact O-N 2.97Å; M317-I320 PolarHBondContact O-N 2.81Å; N318-I320 VanDerWaalsContact C-N 3.26Å; N318-I320 PolarHBondContact O-N 3.24Å; I320-E322 VanDerWaalsContact C-N 3.3Å; I320-E322 PolarHBondContact O-N 2.95Å; I320-D323 PolarHBondContact O-N 2.79Å; I320-M324 HydrophobicContact CG2-CG 4.03Å; I320-M324 WeakPolarHBondContact O-CB 3.28Å; I320-M324 WeakPolarHBondContact O-CG 3.48Å; I320-M324 PolarHBondContact O-N 2.81Å; I320-F340 HydrophobicContact CD1-CD1 4.18Å; I320-F340 HydrophobicContact CD1-CE1 3.3Å; I320-F340 HydrophobicContact CD1-CZ 3.56Å; I320-I383 HydrophobicContact CD1-CD1 3.97Å; I320-I383 HydrophobicContact CG1-CD1 3.78Å |
| 321 | E | 79.4 | Confident | 75 | Confident | 78 Ų | 78 | 66 Ų | 66 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -32 | 179.2 | -72.8 | 179 | -172.7 | 0 | 0 | 112.9 | M317 N318 R337 | M317-E321 WeakPolarHBondContact O-CG 3.37Å; M317-E321 PolarHBondContact O-N 3.5Å; N318-E321 PolarHBondContact O-N 2.97Å; E321-R337 IonicContact OE1-CZ 2.61Å; E321-R337 IonicContact OE1-NH1 3.98Å; E321-R337 IonicContact OE1-NH2 2.85Å; E321-R337 PolarHBondContact OE1-NH2 2.8Å |
| 322 | E | 82.3 | Confident | 73.2 | Confident | 158 Ų | 158 | 67.7 Ų | 67.7 | 74% | 0.738 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -77.4 | -40.5 | 176.6 | -73.6 | 177.9 | -173.5 | 0 | 0 | 112.8 | N318 I320 | N318-E322 WeakPolarHBondContact O-CB 3.44Å; N318-E322 WeakPolarHBondContact O-CG 3.28Å; N318-E322 PolarHBondContact O-N 2.85Å; I320-E322 VanDerWaalsContact C-N 3.3Å; I320-E322 PolarHBondContact O-N 2.95Å |
| 323 | D | 81.5 | Confident | 71.5 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -86 | -26.8 | -175.2 | -86.1 | 11.1 | 0 | 0 | 0 | 113.9 | V319 I320 Q375 C379 K382 | V319-D323 WeakPolarHBondContact O-CB 3.23Å; V319-D323 PolarHBondContact O-N 3.02Å; I320-D323 PolarHBondContact O-N 2.79Å; D323-Q375 PolarHBondContact O-NE2 3.46Å; D323-C379 HydrophobicContact CB-CB 4.16Å; D323-K382 IonicContact OD1-NZ 2.7Å; D323-K382 PolarHBondContact OD1-NZ 3.33Å; D323-K382 VanDerWaalsContact OD2-CD 3.23Å; D323-K382 WeakPolarHBondContact OD2-CD 3.18Å; D323-K382 WeakPolarHBondContact OD2-CE 3.35Å; D323-K382 IonicContact OD2-NZ 3.15Å; D323-K382 PolarHBondContact OD2-NZ 3.09Å |
| 324 | M | 77.5 | Confident | 70.4 | Confident | 22 Ų | 22 | 77.2 Ų | 77.2 | 11% | 0.108 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -98.8 | 119.4 | 178.6 | -60.1 | -66.2 | 164.5 | 0 | 0 | 108.7 | I320 A326 I328 Q375 Q376 C379 | I320-M324 HydrophobicContact CG2-CG 4.03Å; I320-M324 WeakPolarHBondContact O-CB 3.28Å; I320-M324 WeakPolarHBondContact O-CG 3.48Å; I320-M324 PolarHBondContact O-N 2.81Å; M324-A326 PolarHBondContact O-N 2.93Å; M324-I328 HydrophobicContact CB-CD1 3.9Å; M324-Q375 HydrophobicContact SD-CG 4.45Å; M324-Q376 HydrophobicContact CE-CB 4.13Å; M324-Q376 HydrophobicContact CE-CG 3.76Å; M324-Q376 HydrophobicContact SD-CG 4.45Å; M324-C379 HydrophobicContact CE-CB 3.56Å |
| 325 | D | 64.6 | Low | 69.6 | Low | 88 Ų | 88 | 82 Ų | 82 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | trans | -38.5 | 132.5 | -176.6 | -167.6 | 14.1 | 0 | 0 | 0 | 112.3 | R327 I328 | D325-R327 PolarHBondContact O-N 2.98Å; D325-R327 IonicContact OD2-CZ 3.87Å; D325-R327 IonicContact OD2-NE 3.84Å; D325-R327 PolarHBondContact OD2-NE 3.03Å; D325-R327 VanDerWaalsContact OD2-NE 3.13Å; D325-R327 IonicContact OD2-NH2 2.7Å; D325-R327 PolarHBondContact OD2-NH2 3.04Å; D325-I328 WeakPolarHBondContact O-CB 3.44Å; D325-I328 PolarHBondContact O-N 3.49Å | ||
| 326 | A | 55.7 | Low | 68.9 | Low | 69 Ų | 69 | 81.4 Ų | 81.4 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -13.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115 | M324 I328 A329 | M324-A326 PolarHBondContact O-N 2.93Å; A326-I328 VanDerWaalsContact C-N 3.32Å; A326-A329 PolarHBondContact O-N 3.5Å |
| 327 | R | 52.7 | Low | 68.1 | Low | 168 Ų | 168 | 86.2 Ų | 86.2 | 63% | 0.634 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.4 | 170.6 | -75.2 | -179.6 | -83.6 | -129.9 | -3.5 | 113.3 | D325 A329 L330 E331 | D325-R327 PolarHBondContact O-N 2.98Å; D325-R327 IonicContact OD2-CZ 3.87Å; D325-R327 IonicContact OD2-NE 3.84Å; D325-R327 PolarHBondContact OD2-NE 3.03Å; D325-R327 VanDerWaalsContact OD2-NE 3.13Å; D325-R327 IonicContact OD2-NH2 2.7Å; D325-R327 PolarHBondContact OD2-NH2 3.04Å; R327-A329 VanDerWaalsContact C-N 3.33Å; R327-A329 PolarHBondContact O-N 3.49Å; R327-L330 PolarHBondContact O-N 3.08Å; R327-E331 PolarHBondContact O-N 3.43Å |
| 328 | I | 54.5 | Low | 67.5 | Low | 68 Ų | 68 | 88.5 Ų | 88.5 | 35% | 0.349 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 177.5 | -71.9 | 169.6 | 0 | 0 | 0 | 110.7 | M324 D325 A326 L330 E331 H332 | M324-I328 HydrophobicContact CB-CD1 3.9Å; D325-I328 WeakPolarHBondContact O-CB 3.44Å; D325-I328 PolarHBondContact O-N 3.49Å; A326-I328 VanDerWaalsContact C-N 3.32Å; I328-L330 PolarHBondContact O-N 2.98Å; I328-E331 PolarHBondContact O-N 3.26Å; I328-H332 PolarHBondContact O-N 2.65Å; I328-H332 PolarHBondContact O-ND1 2.9Å |
| 329 | A | 52.1 | Low | 67.3 | Low | 70 Ų | 70 | 92.3 Ų | 92.3 | 58% | 0.579 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.8 | -19.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A326 R327 | A326-A329 PolarHBondContact O-N 3.5Å; R327-A329 VanDerWaalsContact C-N 3.33Å; R327-A329 PolarHBondContact O-N 3.49Å |
| 330 | L | 49.4 | Very low | 67.1 | Low | 153 Ų | 153 | 95.4 Ų | 95.4 | 80% | 0.801 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -97.7 | -21.9 | -179.2 | -75.4 | 161 | 0 | 0 | 0 | 113.9 | R327 I328 | R327-L330 PolarHBondContact O-N 3.08Å; I328-L330 PolarHBondContact O-N 2.98Å |
| 331 | E | 49.9 | Very low | 67 | Low | 161 Ų | 161 | 94 Ų | 94 | 75% | 0.752 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -102.2 | -22.7 | -171.8 | -78.4 | -176.5 | 163.7 | 0 | 0 | 114.8 | R327 I328 | R327-E331 PolarHBondContact O-N 3.43Å; I328-E331 PolarHBondContact O-N 3.26Å |
| 332 | H | 49.7 | Very low | 67.1 | Low | 107 Ų | 107 | 93.6 Ų | 93.6 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -84.7 | 128.7 | -173.9 | -69.2 | 64.4 | 0 | 0 | 0 | 110.4 | I328 | I328-H332 PolarHBondContact O-N 2.65Å; I328-H332 PolarHBondContact O-ND1 2.9Å |
| 333 | S | 54.6 | Low | 67.2 | Low | 56 Ų | 56 | 91.5 Ų | 91.5 | 39% | 0.392 | 47% | 0.472 | S | S | . | . | trans | -53.7 | 141.9 | -179.9 | 70.7 | 0 | 0 | 0 | 0 | 110.7 | L335 D336 | S333-L335 PolarHBondContact O-N 2.9Å; S333-D336 PolarHBondContact O-N 3.12Å; S333-D336 PolarHBondContact OG-OD2 3.2Å | ||
| 334 | D | 66.2 | Low | 67.5 | Low | 145 Ų | 145 | 90.4 Ų | 90.4 | 78% | 0.775 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -49.7 | -25.9 | 176.1 | -68.5 | -43.1 | 0 | 0 | 0 | 112.5 | A338 | D334-A338 VanDerWaalsContact O-CB 3.27Å; D334-A338 WeakPolarHBondContact O-CB 3.43Å; D334-A338 PolarHBondContact O-N 3.39Å |
| 335 | L | 69.8 | Low | 67.9 | Low | 126 Ų | 126 | 90.2 Ų | 90.2 | 66% | 0.66 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 174.8 | -79.5 | 153.9 | 0 | 0 | 0 | 114.3 | S333 R339 | S333-L335 PolarHBondContact O-N 2.9Å; L335-R339 VanDerWaalsContact O-CB 3.26Å; L335-R339 WeakPolarHBondContact O-CB 3.28Å; L335-R339 PolarHBondContact O-N 3.31Å |
| 336 | D | 73.9 | Confident | 68.8 | Low | 71 Ų | 71 | 90 Ų | 90 | 38% | 0.38 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.7 | -41.5 | -177.5 | -64.6 | -50.1 | 0 | 0 | 0 | 110.8 | S333 R339 F340 | S333-D336 PolarHBondContact O-N 3.12Å; S333-D336 PolarHBondContact OG-OD2 3.2Å; D336-R339 PolarHBondContact O-N 2.83Å; D336-F340 WeakPolarHBondContact O-CB 3.5Å; D336-F340 PolarHBondContact O-N 3.22Å |
| 337 | R | 73.4 | Confident | 70.2 | Confident | 102 Ų | 102 | 89.7 Ų | 89.7 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 173.2 | -173.5 | -175.9 | -178 | 145 | 13.7 | 111 | M317 E321 R339 F340 A341 | M317-R337 HydrophobicContact CE-CG 3.65Å; E321-R337 IonicContact OE1-CZ 2.61Å; E321-R337 IonicContact OE1-NH1 3.98Å; E321-R337 IonicContact OE1-NH2 2.85Å; E321-R337 PolarHBondContact OE1-NH2 2.8Å; R337-R339 VanDerWaalsContact C-N 3.34Å; R337-R339 PolarHBondContact O-N 2.9Å; R337-F340 PolarHBondContact O-N 3.04Å; R337-A341 PolarHBondContact O-N 3.02Å |
| 338 | A | 73 | Confident | 71.9 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 50% | 0.496 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D334 A341 L342 | D334-A338 VanDerWaalsContact O-CB 3.27Å; D334-A338 WeakPolarHBondContact O-CB 3.43Å; D334-A338 PolarHBondContact O-N 3.39Å; A338-A341 PolarHBondContact O-N 2.98Å; A338-L342 WeakPolarHBondContact O-CB 3.49Å; A338-L342 PolarHBondContact O-N 2.74Å |
| 339 | R | 80 | Confident | 73.3 | Confident | 144 Ų | 144 | 79.9 Ų | 79.9 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.9 | -174.7 | -176.8 | -64.3 | 160 | 3.2 | 111.7 | L335 D336 R337 L342 H343 | L335-R339 VanDerWaalsContact O-CB 3.26Å; L335-R339 WeakPolarHBondContact O-CB 3.28Å; L335-R339 PolarHBondContact O-N 3.31Å; D336-R339 PolarHBondContact O-N 2.83Å; R337-R339 VanDerWaalsContact C-N 3.34Å; R337-R339 PolarHBondContact O-N 2.9Å; R339-L342 WeakPolarHBondContact O-CB 3.35Å; R339-L342 PolarHBondContact O-N 3.39Å; R339-H343 PolarHBondContact O-CD2 2.92Å; R339-H343 PolarHBondContact O-N 2.62Å |
| 340 | F | 83.9 | Confident | 74.7 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 38% | 0.377 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 178.7 | -176.3 | -96.7 | 0 | 0 | 0 | 111.8 | V316 M317 I320 D336 R337 L342 H343 L344 | V316-F340 HydrophobicContact CG1-CE1 4.28Å; M317-F340 HydrophobicContact SD-CD1 3.64Å; M317-F340 HydrophobicContact SD-CE1 3.99Å; I320-F340 HydrophobicContact CD1-CD1 4.18Å; I320-F340 HydrophobicContact CD1-CE1 3.3Å; I320-F340 HydrophobicContact CD1-CZ 3.56Å; D336-F340 WeakPolarHBondContact O-CB 3.5Å; D336-F340 PolarHBondContact O-N 3.22Å; R337-F340 PolarHBondContact O-N 3.04Å; F340-L342 VanDerWaalsContact C-N 3.28Å; F340-L342 PolarHBondContact O-N 3.12Å; F340-H343 PolarHBondContact O-N 3.22Å; F340-H343 VanDerWaalsContact O-N 3.16Å; F340-L344 HydrophobicContact CE1-CD2 4.37Å; F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 PolarHBondContact O-N 3.03Å |
| 341 | A | 82.9 | Confident | 76.2 | Confident | 9 Ų | 9 | 76.6 Ų | 76.6 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L259 I313 R337 A338 L344 R345 | L259-A341 HydrophobicContact CD2-CB 3.89Å; I313-A341 HydrophobicContact CG2-CB 4.24Å; R337-A341 PolarHBondContact O-N 3.02Å; A338-A341 PolarHBondContact O-N 2.98Å; A341-L344 PolarHBondContact O-N 2.98Å; A341-R345 VanDerWaalsContact O-CB 3.31Å; A341-R345 WeakPolarHBondContact O-CB 3.25Å; A341-R345 PolarHBondContact O-N 3.24Å |
| 342 | L | 81.4 | Confident | 77.7 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.5 | -179.5 | 65.4 | 0 | 0 | 0 | 112.5 | A338 R339 F340 R345 F346 | A338-L342 WeakPolarHBondContact O-CB 3.49Å; A338-L342 PolarHBondContact O-N 2.74Å; R339-L342 WeakPolarHBondContact O-CB 3.35Å; R339-L342 PolarHBondContact O-N 3.39Å; F340-L342 VanDerWaalsContact C-N 3.28Å; F340-L342 PolarHBondContact O-N 3.12Å; L342-R345 WeakPolarHBondContact O-CB 3.11Å; L342-R345 PolarHBondContact O-N 3.29Å; L342-F346 HydrophobicContact CD1-CD2 4.18Å; L342-F346 HydrophobicContact CD1-CE2 3.47Å; L342-F346 VanDerWaalsContact CD1-CE2 3.47Å; L342-F346 HydrophobicContact CD1-CZ 3.91Å; L342-F346 HydrophobicContact CD2-CE2 4.22Å; L342-F346 HydrophobicContact CG-CD2 4.1Å; L342-F346 HydrophobicContact CG-CE2 3.6Å; L342-F346 HydrophobicContact CG-CZ 4.5Å; L342-F346 WeakPolarHBondContact O-CD2 3.31Å; L342-F346 PolarHBondContact O-N 3.48Å |
| 343 | H | 85.3 | Confident | 79.1 | Confident | 113 Ų | 113 | 69.8 Ų | 69.8 | 52% | 0.523 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 177.2 | -74.1 | -59.2 | 0 | 0 | 0 | 112.5 | R339 F340 R345 F346 L347 | R339-H343 PolarHBondContact O-CD2 2.92Å; R339-H343 PolarHBondContact O-N 2.62Å; F340-H343 PolarHBondContact O-N 3.22Å; F340-H343 VanDerWaalsContact O-N 3.16Å; H343-R345 VanDerWaalsContact C-N 3.31Å; H343-R345 PolarHBondContact O-N 3.21Å; H343-F346 PolarHBondContact O-N 3.09Å; H343-L347 PolarHBondContact O-N 3.47Å |
| 344 | L | 87.3 | Confident | 79.7 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 176.7 | -173.3 | 60.9 | 0 | 0 | 0 | 111.2 | I313 V316 F340 A341 F346 L347 L348 I387 | I313-L344 HydrophobicContact CB-CD2 4.21Å; I313-L344 HydrophobicContact CG1-CB 4.48Å; I313-L344 HydrophobicContact CG1-CD2 4.04Å; I313-L344 HydrophobicContact CG1-CG 4.09Å; I313-L344 HydrophobicContact CG2-CD2 4.22Å; V316-L344 HydrophobicContact CB-CD2 3.6Å; V316-L344 HydrophobicContact CG1-CD1 4.44Å; V316-L344 HydrophobicContact CG1-CD2 3.44Å; V316-L344 VanDerWaalsContact CG1-CD2 3.44Å; V316-L344 HydrophobicContact CG2-CD2 4.1Å; F340-L344 HydrophobicContact CE1-CD2 4.37Å; F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 PolarHBondContact O-N 3.03Å; A341-L344 PolarHBondContact O-N 2.98Å; L344-F346 PolarHBondContact O-N 3.44Å; L344-L347 HydrophobicContact CD1-CD2 4.28Å; L344-L347 WeakPolarHBondContact O-CB 3.37Å; L344-L347 PolarHBondContact O-N 3Å; L344-L348 HydrophobicContact CD1-CD1 4.39Å; L344-L348 HydrophobicContact CD1-CG 4.35Å; L344-L348 HydrophobicContact CG-CD1 4.03Å; L344-L348 HydrophobicContact CG-CG 4.42Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.35Å; L344-L348 PolarHBondContact O-N 2.9Å; L344-I387 HydrophobicContact CD1-CD1 4.43Å |
| 345 | R | 85.7 | Confident | 79.1 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.5 | -51.8 | 172.8 | -168.6 | 176.8 | 84.6 | 151.3 | 5.6 | 112 | E298 M299 I309 I313 A341 L342 H343 L347 L348 Q349 | E298-R345 IonicContact OE2-CZ 3.37Å; E298-R345 IonicContact OE2-NH1 2.75Å; E298-R345 PolarHBondContact OE2-NH1 3.01Å; E298-R345 IonicContact OE2-NH2 2.88Å; E298-R345 PolarHBondContact OE2-NH2 3.43Å; M299-R345 HydrophobicContact CE-CG 3.21Å; I309-R345 HydrophobicContact CG2-CG 4.39Å; I313-R345 HydrophobicContact CD1-CB 3.77Å; I313-R345 HydrophobicContact CD1-CG 4.09Å; A341-R345 VanDerWaalsContact O-CB 3.31Å; A341-R345 WeakPolarHBondContact O-CB 3.25Å; A341-R345 PolarHBondContact O-N 3.24Å; L342-R345 WeakPolarHBondContact O-CB 3.11Å; L342-R345 PolarHBondContact O-N 3.29Å; H343-R345 VanDerWaalsContact C-N 3.31Å; H343-R345 PolarHBondContact O-N 3.21Å; R345-L347 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 3.41Å; R345-L348 PolarHBondContact O-N 3.5Å; R345-Q349 WeakPolarHBondContact O-CB 3.39Å; R345-Q349 PolarHBondContact O-N 3.45Å |
| 346 | F | 83.9 | Confident | 77.7 | Confident | 84 Ų | 84 | 70.8 Ų | 70.8 | 37% | 0.368 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66 | -33 | 177.7 | -69.8 | -55.6 | 0 | 0 | 0 | 113.4 | L342 H343 L344 R350 | L342-F346 HydrophobicContact CD1-CD2 4.18Å; L342-F346 HydrophobicContact CD1-CE2 3.47Å; L342-F346 VanDerWaalsContact CD1-CE2 3.47Å; L342-F346 HydrophobicContact CD1-CZ 3.91Å; L342-F346 HydrophobicContact CD2-CE2 4.22Å; L342-F346 HydrophobicContact CG-CD2 4.1Å; L342-F346 HydrophobicContact CG-CE2 3.6Å; L342-F346 HydrophobicContact CG-CZ 4.5Å; L342-F346 WeakPolarHBondContact O-CD2 3.31Å; L342-F346 PolarHBondContact O-N 3.48Å; H343-F346 PolarHBondContact O-N 3.09Å; L344-F346 PolarHBondContact O-N 3.44Å; F346-R350 WeakPolarHBondContact O-CG 3.34Å; F346-R350 PolarHBondContact O-N 3.41Å; F346-R350 PolarHBondContact O-NE 3.23Å; F346-R350 VanDerWaalsContact O-NE 3.16Å |
| 347 | L | 85.5 | Confident | 76.5 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -51.7 | 172.9 | 175.9 | 63.2 | 0 | 0 | 0 | 111 | H343 L344 R345 Q349 R350 I351 | H343-L347 PolarHBondContact O-N 3.47Å; L344-L347 HydrophobicContact CD1-CD2 4.28Å; L344-L347 WeakPolarHBondContact O-CB 3.37Å; L344-L347 PolarHBondContact O-N 3Å; R345-L347 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 3.41Å; L347-Q349 PolarHBondContact O-N 3.06Å; L347-R350 PolarHBondContact O-N 3.18Å; L347-I351 HydrophobicContact CD1-CD1 4.15Å; L347-I351 HydrophobicContact CD1-CG1 4.47Å; L347-I351 HydrophobicContact CG-CD1 4.01Å; L347-I351 WeakPolarHBondContact O-CG1 3.15Å; L347-I351 PolarHBondContact O-N 3.44Å |
| 348 | L | 87.7 | Confident | 75 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -37.7 | -177.2 | -64.9 | 170.8 | 0 | 0 | 0 | 112.3 | I309 T312 I313 L344 R345 R350 I351 V352 I387 Y391 | I309-L348 HydrophobicContact CG1-CB 3.99Å; I309-L348 HydrophobicContact CG2-CB 4.1Å; I309-L348 HydrophobicContact CG2-CD1 4.12Å; T312-L348 HydrophobicContact CG2-CD1 3.78Å; T312-L348 HydrophobicContact CG2-CD2 3.81Å; T312-L348 HydrophobicContact CG2-CG 4.47Å; I313-L348 HydrophobicContact CG1-CD1 3.73Å; L344-L348 HydrophobicContact CD1-CD1 4.39Å; L344-L348 HydrophobicContact CD1-CG 4.35Å; L344-L348 HydrophobicContact CG-CD1 4.03Å; L344-L348 HydrophobicContact CG-CG 4.42Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.35Å; L344-L348 PolarHBondContact O-N 2.9Å; R345-L348 PolarHBondContact O-N 3.5Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-R350 PolarHBondContact O-N 2.98Å; L348-I351 HydrophobicContact CD2-CD1 4.44Å; L348-I351 WeakPolarHBondContact O-CB 3.24Å; L348-I351 PolarHBondContact O-N 3.38Å; L348-V352 WeakPolarHBondContact O-CG2 3.27Å; L348-V352 PolarHBondContact O-N 2.81Å; L348-I387 HydrophobicContact CD2-CD1 4.24Å; L348-I387 HydrophobicContact CD2-CG1 4.13Å; L348-I387 HydrophobicContact CD2-CG2 4.04Å; L348-Y391 HydrophobicContact CD2-CD2 4.42Å; L348-Y391 HydrophobicContact CD2-CE2 3.7Å |
| 349 | Q | 82.7 | Confident | 73.7 | Confident | 30 Ų | 30 | 82.3 Ų | 82.3 | 14% | 0.14 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.6 | -48 | 172.2 | -177.3 | -177.4 | 9.2 | 0 | 0 | 111.3 | M299 L301 I309 R345 L347 I351 V352 Q353 | M299-Q349 PolarHBondContact O-NE2 2.71Å; L301-Q349 HydrophobicContact CD1-CG 4.25Å; I309-Q349 HydrophobicContact CD1-CB 4.38Å; R345-Q349 WeakPolarHBondContact O-CB 3.39Å; R345-Q349 PolarHBondContact O-N 3.45Å; L347-Q349 PolarHBondContact O-N 3.06Å; Q349-I351 VanDerWaalsContact C-N 3.31Å; Q349-I351 PolarHBondContact O-N 3.43Å; Q349-V352 PolarHBondContact O-N 3.38Å; Q349-Q353 WeakPolarHBondContact O-CG 3.5Å; Q349-Q353 PolarHBondContact O-N 3.32Å |
| 350 | R | 83 | Confident | 72 | Confident | 124 Ų | 124 | 82.3 Ų | 82.3 | 47% | 0.468 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 176.8 | -72.7 | -179.6 | -65.8 | -142.7 | 0.9 | 113 | F346 L347 L348 V352 D354 G355 | F346-R350 WeakPolarHBondContact O-CG 3.34Å; F346-R350 PolarHBondContact O-N 3.41Å; F346-R350 PolarHBondContact O-NE 3.23Å; F346-R350 VanDerWaalsContact O-NE 3.16Å; L347-R350 PolarHBondContact O-N 3.18Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-R350 PolarHBondContact O-N 2.98Å; R350-V352 VanDerWaalsContact C-N 3.35Å; R350-D354 PolarHBondContact O-N 2.94Å; R350-G355 PolarHBondContact O-N 2.87Å |
| 351 | I | 81.3 | Confident | 70.1 | Confident | 30 Ų | 30 | 86.7 Ų | 86.7 | 15% | 0.154 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.8 | -72.5 | 172.7 | 0 | 0 | 0 | 110.1 | L347 L348 Q349 I387 Y391 K393 | L347-I351 HydrophobicContact CD1-CD1 4.15Å; L347-I351 HydrophobicContact CD1-CG1 4.47Å; L347-I351 HydrophobicContact CG-CD1 4.01Å; L347-I351 WeakPolarHBondContact O-CG1 3.15Å; L347-I351 PolarHBondContact O-N 3.44Å; L348-I351 HydrophobicContact CD2-CD1 4.44Å; L348-I351 WeakPolarHBondContact O-CB 3.24Å; L348-I351 PolarHBondContact O-N 3.38Å; Q349-I351 VanDerWaalsContact C-N 3.31Å; Q349-I351 PolarHBondContact O-N 3.43Å; I351-I387 HydrophobicContact CD1-CG2 3.68Å; I351-Y391 HydrophobicContact CG2-CD1 4.29Å; I351-Y391 HydrophobicContact CG2-CD2 4.34Å; I351-Y391 HydrophobicContact CG2-CG 3.92Å; I351-K393 HydrophobicContact CG2-CD 4.18Å; I351-K393 WeakPolarHBondContact O-CE 3.3Å; I351-K393 PolarHBondContact O-NZ 2.82Å |
| 352 | V | 80.6 | Confident | 68.5 | Low | 26 Ų | 26 | 90.2 Ų | 90.2 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 177.1 | 171 | 0 | 0 | 0 | 0 | 111.2 | L301 E305 I309 L348 Q349 R350 D354 Y391 | L301-V352 HydrophobicContact CD1-CG1 4.41Å; L301-V352 HydrophobicContact CD2-CG1 4.05Å; E305-V352 HydrophobicContact CB-CG1 4.03Å; E305-V352 HydrophobicContact CG-CG1 4Å; E305-V352 VanDerWaalsContact OE1-CG1 3.26Å; E305-V352 WeakPolarHBondContact OE1-CG1 3.29Å; E305-V352 WeakPolarHBondContact OE2-CG1 3.42Å; I309-V352 HydrophobicContact CD1-CG2 4.25Å; I309-V352 HydrophobicContact CG1-CG2 4.31Å; L348-V352 WeakPolarHBondContact O-CG2 3.27Å; L348-V352 PolarHBondContact O-N 2.81Å; Q349-V352 PolarHBondContact O-N 3.38Å; R350-V352 VanDerWaalsContact C-N 3.35Å; V352-D354 PolarHBondContact O-N 3.48Å; V352-Y391 HydrophobicContact CG2-CD1 3.91Å; V352-Y391 HydrophobicContact CG2-CE1 3.41Å; V352-Y391 VanDerWaalsContact CG2-CE1 3.41Å |
| 353 | Q | 79 | Confident | 67.5 | Low | 100 Ų | 100 | 90.6 Ų | 90.6 | 47% | 0.467 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 14.7 | -176.9 | -66.1 | 177.7 | -35.9 | 0 | 0 | 115.1 | L301 Q349 G355 | L301-Q353 HydrophobicContact CD2-CG 3.53Å; Q349-Q353 WeakPolarHBondContact O-CG 3.5Å; Q349-Q353 PolarHBondContact O-N 3.32Å; Q353-G355 PolarHBondContact O-N 3Å; Q353-G355 VanDerWaalsContact O-N 3.09Å |
| 354 | D | 66.8 | Low | 66.3 | Low | 120 Ų | 120 | 90.3 Ų | 90.3 | 64% | 0.642 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 26.7 | 178.2 | -99.4 | -32.7 | 0 | 0 | 0 | 116 | R350 V352 M356 K393 | R350-D354 PolarHBondContact O-N 2.94Å; V352-D354 PolarHBondContact O-N 3.48Å; D354-M356 PolarHBondContact O-N 2.9Å; D354-K393 IonicContact OD1-NZ 2.63Å; D354-K393 PolarHBondContact OD1-NZ 3.45Å |
| 355 | G | 54.1 | Low | 65.2 | Low | 46 Ų | 46 | 96 Ų | 96 | 47% | 0.474 | 48% | 0.477 | S | S | . | . | trans | -69.9 | 88.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R350 Q353 L357 | R350-G355 PolarHBondContact O-N 2.87Å; Q353-G355 PolarHBondContact O-N 3Å; Q353-G355 VanDerWaalsContact O-N 3.09Å; G355-L357 PolarHBondContact O-N 2.64Å; G355-L357 VanDerWaalsContact O-N 3.09Å | ||
| 356 | M | 41 | Very low | 64.2 | Low | 181 Ų | 181 | 98.1 Ų | 98.1 | 89% | 0.892 | 49% | 0.488 | S | S | * | . | trans | -57.7 | 113.6 | 174.3 | -72.1 | -145.2 | -62 | 0 | 0 | 110.5 | D354 Q358 | D354-M356 PolarHBondContact O-N 2.9Å; M356-Q358 PolarHBondContact O-N 3.3Å | ||
| 357 | L | 47.9 | Very low | 63.4 | Low | 130 Ų | 130 | 99.7 Ų | 99.7 | 68% | 0.681 | 50% | 0.496 | S | S | * | . | trans | -81 | 108.8 | 165.4 | -74.4 | 165.5 | 0 | 0 | 0 | 108.1 | G355 Y359 | G355-L357 PolarHBondContact O-N 2.64Å; G355-L357 VanDerWaalsContact O-N 3.09Å; L357-Y359 PolarHBondContact O-N 3.25Å | ||
| 358 | Q | 41.4 | Very low | 62.6 | Low | 195 Ų | 195 | 101.1 Ų | 101.1 | 91% | 0.911 | 50% | 0.503 | S | S | * | . | trans | -62.2 | 94.7 | 156.3 | -81.1 | -171.8 | -2.2 | 0 | 0 | 107.4 | M356 D360 | M356-Q358 PolarHBondContact O-N 3.3Å; Q358-D360 PolarHBondContact O-N 2.77Å | ||
| 359 | Y | 46.3 | Very low | 61.9 | Low | 151 Ų | 151 | 105 Ų | 105 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | trans | -76.6 | 111.6 | 176.2 | -171.4 | -101.7 | 0 | 0 | 0 | 109.3 | L357 | L357-Y359 PolarHBondContact O-N 3.25Š| ||
| 360 | D | 44 | Very low | 61.6 | Low | 143 Ų | 143 | 104.6 Ų | 104.6 | 77% | 0.765 | 52% | 0.521 | S | S | * | . | trans | -75.4 | 127.3 | 174.3 | -165.9 | 6.1 | 0 | 0 | 0 | 110.1 | Q358 S362 | Q358-D360 PolarHBondContact O-N 2.77Å; D360-S362 PolarHBondContact O-N 2.95Å | ||
| 361 | K | 44.3 | Very low | 61.2 | Low | 179 Ų | 179 | 107.1 Ų | 107.1 | 78% | 0.778 | 54% | 0.536 | S | S | * | . | trans | -69.7 | 51.4 | -161 | -65.5 | 175.4 | 174.3 | 171 | 0 | 115 | D363 | K361-D363 VanDerWaalsContact C-N 3.27Å; K361-D363 PolarHBondContact O-N 3.3Å | ||
| 362 | S | 49.5 | Very low | 61.1 | Low | 83 Ų | 83 | 111.5 Ų | 111.5 | 58% | 0.58 | 56% | 0.555 | S | S | * | * | trans | -91 | 54.8 | 172.4 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | D360 H364 | D360-S362 PolarHBondContact O-N 2.95Å; S362-H364 PolarHBondContact O-N 2.9Å | ||
| 363 | D | 60.1 | Low | 61.2 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.1 | -21.8 | -176.8 | -77.5 | -25.7 | 0 | 0 | 0 | 114.6 | K361 M365 M366 E367 | K361-D363 VanDerWaalsContact C-N 3.27Å; K361-D363 PolarHBondContact O-N 3.3Å; D363-M365 VanDerWaalsContact C-N 3.34Å; D363-M365 PolarHBondContact O-N 3.48Å; D363-M366 PolarHBondContact O-N 3.42Å; D363-M366 VanDerWaalsContact O-N 3.11Å; D363-E367 WeakPolarHBondContact O-CG 3.45Å; D363-E367 PolarHBondContact O-N 3.2Å |
| 364 | H | 60.5 | Low | 61.3 | Low | 107 Ų | 107 | 114.9 Ų | 114.9 | 50% | 0.495 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65 | -33.6 | -166.4 | -162.8 | 50.4 | 0 | 0 | 0 | 114.5 | S362 E367 M368 | S362-H364 PolarHBondContact O-N 2.9Å; H364-E367 IonicContact ND1-OE2 3.56Å; H364-M368 WeakPolarHBondContact O-CB 3.4Å; H364-M368 PolarHBondContact O-N 3.46Å; H364-M368 VanDerWaalsContact O-N 3.09Å |
| 365 | M | 64.5 | Low | 62 | Low | 132 Ų | 132 | 114 Ų | 114 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70 | -40.5 | 176.7 | -179.1 | 172.7 | 55.3 | 0 | 0 | 111 | D363 M368 L369 | D363-M365 VanDerWaalsContact C-N 3.34Å; D363-M365 PolarHBondContact O-N 3.48Å; M365-M368 PolarHBondContact O-N 3.42Å; M365-L369 HydrophobicContact CG-CD1 4.11Å; M365-L369 WeakPolarHBondContact O-CB 3.4Å; M365-L369 VanDerWaalsContact O-CG 3.31Å; M365-L369 WeakPolarHBondContact O-CG 3.09Å; M365-L369 PolarHBondContact O-N 3.31Å |
| 366 | M | 64.8 | Low | 63.5 | Low | 62 Ų | 62 | 115.6 Ų | 115.6 | 31% | 0.305 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -45.5 | 178.4 | -164.8 | 64.2 | -174.3 | 0 | 0 | 110.7 | D363 M368 L369 M370 V380 L400 | D363-M366 PolarHBondContact O-N 3.42Å; D363-M366 VanDerWaalsContact O-N 3.11Å; M366-M368 VanDerWaalsContact C-N 3.29Å; M366-M368 PolarHBondContact O-N 3Å; M366-L369 PolarHBondContact O-N 3.39Å; M366-M370 HydrophobicContact CE-CG 4.19Å; M366-M370 HydrophobicContact CE-SD 4.18Å; M366-M370 HydrophobicContact CG-CG 4.44Å; M366-M370 HydrophobicContact CG-SD 4.29Å; M366-M370 WeakPolarHBondContact O-CB 3.34Å; M366-M370 VanDerWaalsContact O-CG 3.25Å; M366-M370 WeakPolarHBondContact O-CG 3.26Å; M366-M370 PolarHBondContact O-N 3.15Å; M366-V380 HydrophobicContact CE-CG1 4.37Å; M366-L400 HydrophobicContact CG-CD2 4.17Å |
| 367 | E | 66.4 | Low | 65.4 | Low | 116 Ų | 116 | 107.5 Ų | 107.5 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -54.8 | -44.2 | 173.3 | -73.6 | 178.9 | 170.4 | 0 | 0 | 112.1 | D363 H364 M370 K371 | D363-E367 WeakPolarHBondContact O-CG 3.45Å; D363-E367 PolarHBondContact O-N 3.2Å; H364-E367 IonicContact ND1-OE2 3.56Å; E367-M370 PolarHBondContact O-N 2.93Å; E367-K371 WeakPolarHBondContact O-CB 3.16Å; E367-K371 PolarHBondContact O-N 2.9Å |
| 368 | M | 69.7 | Low | 67.1 | Low | 93 Ų | 93 | 103.2 Ų | 103.2 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -45.4 | -179.4 | -151.2 | -167 | -35.2 | 0 | 0 | 111.5 | H364 M365 M366 M370 K371 E372 | H364-M368 WeakPolarHBondContact O-CB 3.4Å; H364-M368 PolarHBondContact O-N 3.46Å; H364-M368 VanDerWaalsContact O-N 3.09Å; M365-M368 PolarHBondContact O-N 3.42Å; M366-M368 VanDerWaalsContact C-N 3.29Å; M366-M368 PolarHBondContact O-N 3Å; M368-M370 VanDerWaalsContact C-N 3.35Å; M368-M370 PolarHBondContact O-N 3.26Å; M368-K371 PolarHBondContact O-N 3.18Å; M368-E372 PolarHBondContact O-N 3.18Å |
| 369 | L | 72 | Confident | 69.2 | Low | 80 Ų | 80 | 94.1 Ų | 94.1 | 42% | 0.419 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.3 | -73.6 | 170.5 | 0 | 0 | 0 | 111.1 | M365 M366 K371 E372 Y373 | M365-L369 HydrophobicContact CG-CD1 4.11Å; M365-L369 WeakPolarHBondContact O-CB 3.4Å; M365-L369 VanDerWaalsContact O-CG 3.31Å; M365-L369 WeakPolarHBondContact O-CG 3.09Å; M365-L369 PolarHBondContact O-N 3.31Å; M366-L369 PolarHBondContact O-N 3.39Å; L369-K371 VanDerWaalsContact C-N 3.27Å; L369-K371 PolarHBondContact O-N 3.41Å; L369-E372 PolarHBondContact O-N 2.99Å; L369-Y373 HydrophobicContact CD2-CD2 4.03Å; L369-Y373 HydrophobicContact CD2-CE2 3.92Å; L369-Y373 VanDerWaalsContact O-CB 3.32Å; L369-Y373 WeakPolarHBondContact O-CB 3.27Å; L369-Y373 WeakPolarHBondContact O-CD2 3.36Å; L369-Y373 PolarHBondContact O-N 3.3Å |
| 370 | M | 76.1 | Confident | 71.1 | Confident | 22 Ų | 22 | 89.4 Ų | 89.4 | 11% | 0.108 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.4 | -32.9 | 179.3 | -69.1 | -170.9 | 80.1 | 0 | 0 | 112.5 | M366 E367 M368 A377 L400 | M366-M370 HydrophobicContact CE-CG 4.19Å; M366-M370 HydrophobicContact CE-SD 4.18Å; M366-M370 HydrophobicContact CG-CG 4.44Å; M366-M370 HydrophobicContact CG-SD 4.29Å; M366-M370 WeakPolarHBondContact O-CB 3.34Å; M366-M370 VanDerWaalsContact O-CG 3.25Å; M366-M370 WeakPolarHBondContact O-CG 3.26Å; M366-M370 PolarHBondContact O-N 3.15Å; E367-M370 PolarHBondContact O-N 2.93Å; M368-M370 VanDerWaalsContact C-N 3.35Å; M368-M370 PolarHBondContact O-N 3.26Å; M370-A377 HydrophobicContact CB-CB 3.87Å; M370-A377 HydrophobicContact CE-CB 3.62Å; M370-A377 HydrophobicContact CG-CB 3.98Å; M370-L400 HydrophobicContact CE-CB 3.8Å; M370-L400 WeakPolarHBondContact CE-O 3.4Å; M370-L400 HydrophobicContact SD-CB 3.89Å; M370-L400 HydrophobicContact SD-CD2 3.58Å; M370-L400 VanDerWaalsContact SD-CD2 3.58Å; M370-L400 HydrophobicContact SD-CG 4.32Å |
| 371 | K | 75.3 | Confident | 73 | Confident | 178 Ų | 178 | 83.2 Ų | 83.2 | 77% | 0.774 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -74.4 | -42.3 | 175.8 | -174 | 174 | -178.2 | 169 | 0 | 113.1 | E367 M368 L369 | E367-K371 WeakPolarHBondContact O-CB 3.16Å; E367-K371 PolarHBondContact O-N 2.9Å; M368-K371 PolarHBondContact O-N 3.18Å; L369-K371 VanDerWaalsContact C-N 3.27Å; L369-K371 PolarHBondContact O-N 3.41Å |
| 372 | E | 79.1 | Confident | 75.1 | Confident | 121 Ų | 121 | 79.1 Ų | 79.1 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -74.3 | -29 | 179.5 | -74 | -168.6 | 161.3 | 0 | 0 | 112.5 | M368 L369 P374 | M368-E372 PolarHBondContact O-N 3.18Å; L369-E372 PolarHBondContact O-N 2.99Å; E372-P374 VanDerWaalsContact C-CD 3.44Å; E372-P374 WeakPolarHBondContact O-CD 3.35Å |
| 373 | Y | 82.1 | Confident | 76.9 | Confident | 113 Ų | 113 | 76.2 Ų | 76.2 | 44% | 0.443 | 38% | 0.377 | S | S | . | . | trans | -124.7 | 65.7 | -174.7 | -57.4 | -73.8 | 0 | 0 | 0 | 111.3 | L369 Q375 Q376 A377 | L369-Y373 HydrophobicContact CD2-CD2 4.03Å; L369-Y373 HydrophobicContact CD2-CE2 3.92Å; L369-Y373 VanDerWaalsContact O-CB 3.32Å; L369-Y373 WeakPolarHBondContact O-CB 3.27Å; L369-Y373 WeakPolarHBondContact O-CD2 3.36Å; L369-Y373 PolarHBondContact O-N 3.3Å; Y373-Q375 VanDerWaalsContact C-N 3.32Å; Y373-Q375 PolarHBondContact O-N 2.89Å; Y373-Q376 VanDerWaalsContact CB-OE1 3.31Å; Y373-Q376 WeakPolarHBondContact O-CB 3.44Å; Y373-Q376 PolarHBondContact O-N 2.81Å; Y373-Q376 VanDerWaalsContact O-N 3.15Å; Y373-Q376 PolarHBondContact O-OE1 3.05Å; Y373-A377 WeakPolarHBondContact O-CB 3.34Å; Y373-A377 PolarHBondContact O-N 2.79Å | ||
| 374 | P | 81.1 | Confident | 78.1 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.7 | -31 | -171.3 | 25.2 | -34.8 | 0 | 0 | 0 | 113.7 | E372 A377 A378 | E372-P374 VanDerWaalsContact C-CD 3.44Å; E372-P374 WeakPolarHBondContact O-CD 3.35Å; P374-A377 WeakPolarHBondContact O-CB 3.33Å; P374-A377 PolarHBondContact O-N 3.28Å; P374-A378 WeakPolarHBondContact O-CB 3.47Å; P374-A378 PolarHBondContact O-N 3.35Å |
| 375 | Q | 82.5 | Confident | 79.3 | Confident | 102 Ų | 102 | 73.5 Ų | 73.5 | 48% | 0.477 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 174.9 | -175.8 | 176.4 | 6.9 | 0 | 0 | 110.9 | D323 M324 Y373 A378 C379 | D323-Q375 PolarHBondContact O-NE2 3.46Å; M324-Q375 HydrophobicContact SD-CG 4.45Å; Y373-Q375 VanDerWaalsContact C-N 3.32Å; Y373-Q375 PolarHBondContact O-N 2.89Å; Q375-A378 PolarHBondContact O-N 3.49Å; Q375-C379 PolarHBondContact O-N 2.76Å |
| 376 | Q | 85.3 | Confident | 80.4 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 175 | -62.8 | 74.4 | 0.7 | 0 | 0 | 111.1 | M324 Y373 A378 C379 V380 | M324-Q376 HydrophobicContact CE-CB 4.13Å; M324-Q376 HydrophobicContact CE-CG 3.76Å; M324-Q376 HydrophobicContact SD-CG 4.45Å; Y373-Q376 VanDerWaalsContact CB-OE1 3.31Å; Y373-Q376 WeakPolarHBondContact O-CB 3.44Å; Y373-Q376 PolarHBondContact O-N 2.81Å; Y373-Q376 VanDerWaalsContact O-N 3.15Å; Y373-Q376 PolarHBondContact O-OE1 3.05Å; Q376-A378 PolarHBondContact O-N 2.82Å; Q376-C379 PolarHBondContact O-N 3.43Å; Q376-V380 WeakPolarHBondContact O-CB 3.36Å; Q376-V380 VanDerWaalsContact O-CG2 3.27Å; Q376-V380 WeakPolarHBondContact O-CG2 3.19Å; Q376-V380 PolarHBondContact O-N 3.17Å |
| 377 | A | 81.7 | Confident | 81.6 | Confident | 10 Ų | 10 | 66 Ų | 66 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M370 Y373 P374 V380 T381 | M370-A377 HydrophobicContact CB-CB 3.87Å; M370-A377 HydrophobicContact CE-CB 3.62Å; M370-A377 HydrophobicContact CG-CB 3.98Å; Y373-A377 WeakPolarHBondContact O-CB 3.34Å; Y373-A377 PolarHBondContact O-N 2.79Å; P374-A377 WeakPolarHBondContact O-CB 3.33Å; P374-A377 PolarHBondContact O-N 3.28Å; A377-V380 PolarHBondContact O-N 3.25Å; A377-T381 PolarHBondContact O-N 3.25Å; A377-T381 PolarHBondContact O-OG1 2.94Å |
| 378 | A | 83.2 | Confident | 82.3 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | P374 Q375 Q376 V380 T381 K382 | P374-A378 WeakPolarHBondContact O-CB 3.47Å; P374-A378 PolarHBondContact O-N 3.35Å; Q375-A378 PolarHBondContact O-N 3.49Å; Q376-A378 PolarHBondContact O-N 2.82Å; A378-V380 PolarHBondContact O-N 2.85Å; A378-T381 WeakPolarHBondContact O-CB 3.35Å; A378-T381 PolarHBondContact O-N 3.46Å; A378-K382 PolarHBondContact O-N 3.09Å; A378-K382 VanDerWaalsContact O-N 3.15Å |
| 379 | C | 85.7 | Confident | 83 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | D323 M324 Q375 Q376 T381 K382 I383 | D323-C379 HydrophobicContact CB-CB 4.16Å; M324-C379 HydrophobicContact CE-CB 3.56Å; Q375-C379 PolarHBondContact O-N 2.76Å; Q376-C379 PolarHBondContact O-N 3.43Å; C379-T381 PolarHBondContact O-N 3.29Å; C379-K382 PolarHBondContact O-N 2.9Å; C379-K382 VanDerWaalsContact O-N 3.15Å; C379-I383 WeakPolarHBondContact O-CG1 3.46Å; C379-I383 PolarHBondContact O-N 3.13Å |
| 380 | V | 85.9 | Confident | 83.7 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.9 | -39.5 | 175.7 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | M366 Q376 A377 A378 K382 I383 M384 | M366-V380 HydrophobicContact CE-CG1 4.37Å; Q376-V380 WeakPolarHBondContact O-CB 3.36Å; Q376-V380 VanDerWaalsContact O-CG2 3.27Å; Q376-V380 WeakPolarHBondContact O-CG2 3.19Å; Q376-V380 PolarHBondContact O-N 3.17Å; A377-V380 PolarHBondContact O-N 3.25Å; A378-V380 PolarHBondContact O-N 2.85Å; V380-K382 PolarHBondContact O-N 2.81Å; V380-I383 WeakPolarHBondContact O-CB 3.16Å; V380-I383 PolarHBondContact O-N 3.26Å; V380-M384 HydrophobicContact CG1-CG 4.38Å; V380-M384 HydrophobicContact CG1-SD 4.25Å; V380-M384 VanDerWaalsContact O-CG 3.32Å; V380-M384 WeakPolarHBondContact O-CG 3.47Å; V380-M384 PolarHBondContact O-N 2.95Å |
| 381 | T | 83.5 | Confident | 84 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 178.6 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | A377 A378 C379 I383 M384 Q385 V397 L401 | A377-T381 PolarHBondContact O-N 3.25Å; A377-T381 PolarHBondContact O-OG1 2.94Å; A378-T381 WeakPolarHBondContact O-CB 3.35Å; A378-T381 PolarHBondContact O-N 3.46Å; C379-T381 PolarHBondContact O-N 3.29Å; T381-I383 VanDerWaalsContact C-N 3.34Å; T381-M384 PolarHBondContact O-N 2.78Å; T381-Q385 PolarHBondContact O-N 2.7Å; T381-V397 HydrophobicContact CG2-CG1 3.84Å; T381-L401 HydrophobicContact CG2-CD1 3.48Å; T381-L401 VanDerWaalsContact CG2-CD1 3.48Å; T381-L401 HydrophobicContact CG2-CG 3.87Å; T381-L401 WeakPolarHBondContact OG1-CD2 3.49Å; T381-L401 WeakPolarHBondContact OG1-CG 3.24Å |
| 382 | K | 87.7 | Confident | 84.1 | Confident | 92 Ų | 92 | 63.7 Ų | 63.7 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 173.2 | -65 | -174.4 | -169.1 | 170.7 | 0 | 111.8 | V319 D323 A378 C379 V380 M384 Q385 V386 | V319-K382 HydrophobicContact CG1-CB 3.81Å; V319-K382 HydrophobicContact CG1-CD 4.36Å; D323-K382 IonicContact OD1-NZ 2.7Å; D323-K382 PolarHBondContact OD1-NZ 3.33Å; D323-K382 VanDerWaalsContact OD2-CD 3.23Å; D323-K382 WeakPolarHBondContact OD2-CD 3.18Å; D323-K382 WeakPolarHBondContact OD2-CE 3.35Å; D323-K382 IonicContact OD2-NZ 3.15Å; D323-K382 PolarHBondContact OD2-NZ 3.09Å; A378-K382 PolarHBondContact O-N 3.09Å; A378-K382 VanDerWaalsContact O-N 3.15Å; C379-K382 PolarHBondContact O-N 2.9Å; C379-K382 VanDerWaalsContact O-N 3.15Å; V380-K382 PolarHBondContact O-N 2.81Å; K382-M384 VanDerWaalsContact C-N 3.35Å; K382-M384 PolarHBondContact O-N 3.16Å; K382-Q385 WeakPolarHBondContact O-CB 3.43Å; K382-Q385 PolarHBondContact O-N 2.67Å; K382-V386 WeakPolarHBondContact O-CG2 3.48Å; K382-V386 PolarHBondContact O-N 3.48Å |
| 383 | I | 88.8 | Confident | 83.6 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.2 | -66.5 | 170.6 | 0 | 0 | 0 | 110.4 | V316 V319 I320 C379 V380 T381 Q385 V386 I387 | V316-I383 HydrophobicContact CG1-CD1 3.97Å; V316-I383 HydrophobicContact CG1-CG1 3.95Å; V316-I383 HydrophobicContact CG1-CG2 3.86Å; V316-I383 HydrophobicContact CG2-CG2 3.96Å; V319-I383 HydrophobicContact CG1-CG1 4.06Å; I320-I383 HydrophobicContact CD1-CD1 3.97Å; I320-I383 HydrophobicContact CG1-CD1 3.78Å; C379-I383 WeakPolarHBondContact O-CG1 3.46Å; C379-I383 PolarHBondContact O-N 3.13Å; V380-I383 WeakPolarHBondContact O-CB 3.16Å; V380-I383 PolarHBondContact O-N 3.26Å; T381-I383 VanDerWaalsContact C-N 3.34Å; I383-Q385 VanDerWaalsContact C-N 3.29Å; I383-Q385 PolarHBondContact O-N 2.62Å; I383-V386 PolarHBondContact O-N 3.41Å; I383-I387 HydrophobicContact CG2-CD1 3.93Å; I383-I387 WeakPolarHBondContact O-CG1 3.43Å; I383-I387 PolarHBondContact O-N 2.84Å |
| 384 | M | 84.9 | Confident | 82.5 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 11% | 0.108 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 176.4 | -70.7 | 176.1 | 76.8 | 0 | 0 | 111.9 | V380 T381 K382 I387 S388 I395 V397 L400 | V380-M384 HydrophobicContact CG1-CG 4.38Å; V380-M384 HydrophobicContact CG1-SD 4.25Å; V380-M384 VanDerWaalsContact O-CG 3.32Å; V380-M384 WeakPolarHBondContact O-CG 3.47Å; V380-M384 PolarHBondContact O-N 2.95Å; T381-M384 PolarHBondContact O-N 2.78Å; K382-M384 VanDerWaalsContact C-N 3.35Å; K382-M384 PolarHBondContact O-N 3.16Å; M384-I387 PolarHBondContact O-N 3.46Å; M384-S388 WeakPolarHBondContact O-CB 3.34Å; M384-S388 PolarHBondContact O-N 3Å; M384-I395 HydrophobicContact CE-CB 4.15Å; M384-I395 HydrophobicContact CE-CG2 3.26Å; M384-V397 HydrophobicContact CB-CG2 4.26Å; M384-V397 HydrophobicContact CE-CG2 4.11Å; M384-L400 HydrophobicContact CE-CD1 3.42Å; M384-L400 VanDerWaalsContact CE-CD1 3.42Å; M384-L400 HydrophobicContact SD-CD1 3.4Å; M384-L400 WeakPolarHBondContact SD-CD1 3.45Å |
| 385 | Q | 84.7 | Confident | 81.5 | Confident | 103 Ų | 103 | 63.9 Ų | 63.9 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 176.7 | -175.5 | 177.1 | -7 | 0 | 0 | 111.7 | T381 K382 I383 I387 S388 E389 | T381-Q385 PolarHBondContact O-N 2.7Å; K382-Q385 WeakPolarHBondContact O-CB 3.43Å; K382-Q385 PolarHBondContact O-N 2.67Å; I383-Q385 VanDerWaalsContact C-N 3.29Å; I383-Q385 PolarHBondContact O-N 2.62Å; Q385-I387 VanDerWaalsContact C-N 3.31Å; Q385-I387 PolarHBondContact O-N 2.66Å; Q385-S388 PolarHBondContact O-N 2.95Å; Q385-E389 HydrophobicContact CG-CG 4.28Å; Q385-E389 VanDerWaalsContact CG-OE1 3.27Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.39Å; Q385-E389 PolarHBondContact NE2-OE1 3.37Å; Q385-E389 WeakPolarHBondContact O-CB 3.47Å; Q385-E389 VanDerWaalsContact O-CG 3.32Å; Q385-E389 WeakPolarHBondContact O-CG 3.36Å; Q385-E389 PolarHBondContact O-N 2.95Å |
| 386 | V | 88.9 | Confident | 80.1 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | T312 Q315 V316 V319 K382 I383 K390 | T312-V386 HydrophobicContact CG2-CG1 4.48Å; Q315-V386 HydrophobicContact CB-CG1 4.11Å; V316-V386 HydrophobicContact CG2-CG1 4.36Å; V319-V386 HydrophobicContact CG2-CG2 4.29Å; K382-V386 WeakPolarHBondContact O-CG2 3.48Å; K382-V386 PolarHBondContact O-N 3.48Å; I383-V386 PolarHBondContact O-N 3.41Å; V386-K390 WeakPolarHBondContact O-CB 3.41Å; V386-K390 PolarHBondContact O-N 2.97Å; V386-K390 VanDerWaalsContact O-N 3.13Å |
| 387 | I | 88.1 | Confident | 78.3 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.2 | -45 | -179.4 | -60.1 | 171.9 | 0 | 0 | 0 | 110.8 | T312 L344 L348 I351 I383 M384 Q385 E389 K390 Y391 I395 | T312-I387 HydrophobicContact CG2-CG1 4.31Å; L344-I387 HydrophobicContact CD1-CD1 4.43Å; L348-I387 HydrophobicContact CD2-CD1 4.24Å; L348-I387 HydrophobicContact CD2-CG1 4.13Å; L348-I387 HydrophobicContact CD2-CG2 4.04Å; I351-I387 HydrophobicContact CD1-CG2 3.68Å; I383-I387 HydrophobicContact CG2-CD1 3.93Å; I383-I387 WeakPolarHBondContact O-CG1 3.43Å; I383-I387 PolarHBondContact O-N 2.84Å; M384-I387 PolarHBondContact O-N 3.46Å; Q385-I387 VanDerWaalsContact C-N 3.31Å; Q385-I387 PolarHBondContact O-N 2.66Å; I387-E389 PolarHBondContact O-N 2.73Å; I387-K390 PolarHBondContact O-N 2.93Å; I387-Y391 HydrophobicContact CG2-CD2 3.96Å; I387-Y391 HydrophobicContact CG2-CE2 4.5Å; I387-Y391 WeakPolarHBondContact O-CD2 3.37Å; I387-Y391 PolarHBondContact O-N 3.02Å; I387-I395 HydrophobicContact CB-CD1 3.85Å; I387-I395 HydrophobicContact CG2-CD1 3.61Å |
| 388 | S | 82.3 | Confident | 76.1 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 178.6 | -87.4 | 0 | 0 | 0 | 0 | 112.8 | M384 Q385 Q392 K393 I395 | M384-S388 WeakPolarHBondContact O-CB 3.34Å; M384-S388 PolarHBondContact O-N 3Å; Q385-S388 PolarHBondContact O-N 2.95Å; S388-Q392 WeakPolarHBondContact O-CA 3.34Å; S388-Q392 PolarHBondContact O-N 3.12Å; S388-K393 WeakPolarHBondContact CA-O 3.37Å; S388-K393 WeakPolarHBondContact CB-O 3.46Å; S388-K393 PolarHBondContact OG-O 3.37Å; S388-I395 WeakPolarHBondContact OG-CB 3.16Å; S388-I395 VanDerWaalsContact OG-CG1 3.3Å; S388-I395 WeakPolarHBondContact OG-CG1 3.49Å; S388-I395 PolarHBondContact OG-N 3.33Å |
| 389 | E | 85 | Confident | 74.1 | Confident | 131 Ų | 131 | 75.1 Ų | 75.1 | 61% | 0.612 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 177.7 | -74.5 | 176.5 | -175 | 0 | 0 | 111.6 | Q385 I387 | Q385-E389 HydrophobicContact CG-CG 4.28Å; Q385-E389 VanDerWaalsContact CG-OE1 3.27Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.39Å; Q385-E389 PolarHBondContact NE2-OE1 3.37Å; Q385-E389 WeakPolarHBondContact O-CB 3.47Å; Q385-E389 VanDerWaalsContact O-CG 3.32Å; Q385-E389 WeakPolarHBondContact O-CG 3.36Å; Q385-E389 PolarHBondContact O-N 2.95Å; I387-E389 PolarHBondContact O-N 2.73Å |
| 390 | K | 85.3 | Confident | 71.9 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.1 | -40.9 | -176.4 | -176.1 | 151.6 | 177 | 177.6 | 0 | 113.7 | G308 E311 T312 V386 I387 | G308-K390 WeakPolarHBondContact O-CE 3.41Å; G308-K390 PolarHBondContact O-NZ 3.4Å; E311-K390 IonicContact OE2-NZ 2.98Å; E311-K390 PolarHBondContact OE2-NZ 3Å; T312-K390 WeakPolarHBondContact OG1-CD 3.45Å; T312-K390 WeakPolarHBondContact OG1-CE 3.45Å; T312-K390 PolarHBondContact OG1-NZ 3.12Å; V386-K390 WeakPolarHBondContact O-CB 3.41Å; V386-K390 PolarHBondContact O-N 2.97Å; V386-K390 VanDerWaalsContact O-N 3.13Å; I387-K390 PolarHBondContact O-N 2.93Å |
| 391 | Y | 83.9 | Confident | 69.5 | Low | 41 Ų | 41 | 78.9 Ų | 78.9 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -101.6 | 2.5 | -175.1 | -63.4 | -82.8 | 0 | 0 | 0 | 113.8 | I309 T312 L348 I351 V352 I387 K393 | I309-Y391 WeakPolarHBondContact CA-OH 3.31Å; T312-Y391 HydrophobicContact CG2-CE2 4.01Å; T312-Y391 PolarHBondContact OG1-OH 3.5Å; L348-Y391 HydrophobicContact CD2-CD2 4.42Å; L348-Y391 HydrophobicContact CD2-CE2 3.7Å; I351-Y391 HydrophobicContact CG2-CD1 4.29Å; I351-Y391 HydrophobicContact CG2-CD2 4.34Å; I351-Y391 HydrophobicContact CG2-CG 3.92Å; V352-Y391 HydrophobicContact CG2-CD1 3.91Å; V352-Y391 HydrophobicContact CG2-CE1 3.41Å; V352-Y391 VanDerWaalsContact CG2-CE1 3.41Å; I387-Y391 HydrophobicContact CG2-CD2 3.96Å; I387-Y391 HydrophobicContact CG2-CE2 4.5Å; I387-Y391 WeakPolarHBondContact O-CD2 3.37Å; I387-Y391 PolarHBondContact O-N 3.02Å; Y391-K393 WeakPolarHBondContact O-CG 3.4Å; Y391-K393 PolarHBondContact O-N 3.43Å |
| 392 | Q | 76 | Confident | 67 | Low | 182 Ų | 182 | 83.7 Ų | 83.7 | 85% | 0.85 | 42% | 0.416 | S | S | * | . | trans | 52.9 | 26 | -179.2 | -57.5 | -177.9 | 13.2 | 0 | 0 | 114.2 | S388 | S388-Q392 WeakPolarHBondContact O-CA 3.34Å; S388-Q392 PolarHBondContact O-N 3.12Å | ||
| 393 | K | 68.6 | Low | 64.3 | Low | 71 Ų | 71 | 82.5 Ų | 82.5 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | trans | -100.6 | 126.2 | 175.3 | -62.8 | -161.6 | -177.7 | -178.5 | 0 | 109.3 | I351 D354 S388 Y391 I395 | I351-K393 HydrophobicContact CG2-CD 4.18Å; I351-K393 WeakPolarHBondContact O-CE 3.3Å; I351-K393 PolarHBondContact O-NZ 2.82Å; D354-K393 IonicContact OD1-NZ 2.63Å; D354-K393 PolarHBondContact OD1-NZ 3.45Å; S388-K393 WeakPolarHBondContact CA-O 3.37Å; S388-K393 WeakPolarHBondContact CB-O 3.46Å; S388-K393 PolarHBondContact OG-O 3.37Å; Y391-K393 WeakPolarHBondContact O-CG 3.4Å; Y391-K393 PolarHBondContact O-N 3.43Å; K393-I395 VanDerWaalsContact C-N 3.3Å; K393-I395 PolarHBondContact O-N 3.42Å | ||
| 394 | E | 58.8 | Low | 61.4 | Low | 197 Ų | 197 | 86.9 Ų | 86.9 | 92% | 0.921 | 46% | 0.464 | S | S | * | . | trans | -64 | 95.9 | 166.7 | -88.3 | -168.1 | 157.7 | 0 | 0 | 108.1 | ||||
| 395 | I | 61.4 | Low | 58.7 | Low | 56 Ų | 56 | 89.3 Ų | 89.3 | 29% | 0.287 | 49% | 0.494 | S | S | . | . | trans | -78.2 | 123.7 | 158.4 | -52.2 | 172.9 | 0 | 0 | 0 | 103 | M384 I387 S388 K393 V397 | M384-I395 HydrophobicContact CE-CB 4.15Å; M384-I395 HydrophobicContact CE-CG2 3.26Å; I387-I395 HydrophobicContact CB-CD1 3.85Å; I387-I395 HydrophobicContact CG2-CD1 3.61Å; S388-I395 WeakPolarHBondContact OG-CB 3.16Å; S388-I395 VanDerWaalsContact OG-CG1 3.3Å; S388-I395 WeakPolarHBondContact OG-CG1 3.49Å; S388-I395 PolarHBondContact OG-N 3.33Å; K393-I395 VanDerWaalsContact C-N 3.3Å; K393-I395 PolarHBondContact O-N 3.42Å; I395-V397 WeakPolarHBondContact O-CG2 3.06Å; I395-V397 PolarHBondContact O-N 3.02Å | ||
| 396 | E | 53.2 | Low | 55.8 | Low | 132 Ų | 132 | 91.5 Ų | 91.5 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | trans | -59.5 | 86 | 179.9 | -82.7 | -164.4 | 169.3 | 0 | 0 | 110.2 | T398 K399 | E396-T398 VanDerWaalsContact C-N 3.3Å; E396-K399 IonicContact OE1-NZ 2.78Å; E396-K399 IonicContact OE2-NZ 3.03Å; E396-K399 PolarHBondContact OE2-NZ 3.44Å | ||
| 397 | V | 45.9 | Very low | 52.6 | Low | 44 Ų | 44 | 99.1 Ų | 99.1 | 27% | 0.267 | 54% | 0.538 | S | S | . | . | trans | -72.3 | -31.3 | 176.3 | -179 | 0 | 0 | 0 | 0 | 109.9 | T381 M384 I395 K399 L400 | T381-V397 HydrophobicContact CG2-CG1 3.84Å; M384-V397 HydrophobicContact CB-CG2 4.26Å; M384-V397 HydrophobicContact CE-CG2 4.11Å; I395-V397 WeakPolarHBondContact O-CG2 3.06Å; I395-V397 PolarHBondContact O-N 3.02Å; V397-K399 PolarHBondContact O-N 2.99Å; V397-L400 PolarHBondContact O-N 3.28Å; V397-L400 VanDerWaalsContact O-N 3.13Å | ||
| 398 | T | 36 | Very low | 49.8 | Very low | 141 Ų | 141 | 107 Ų | 107 | 87% | 0.865 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 1.7 | -160.8 | -28.3 | 0 | 0 | 0 | 0 | 115.2 | E396 | E396-T398 VanDerWaalsContact C-N 3.3Š|
| 399 | K | 40.9 | Very low | 46.9 | Very low | 151 Ų | 151 | 109.8 Ų | 109.8 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -5.9 | 173.3 | -72.1 | 179.3 | -166.8 | 136.5 | 0 | 114.6 | E396 V397 | E396-K399 IonicContact OE1-NZ 2.78Å; E396-K399 IonicContact OE2-NZ 3.03Å; E396-K399 PolarHBondContact OE2-NZ 3.44Å; V397-K399 PolarHBondContact O-N 2.99Å |
| 400 | L | 40.9 | Very low | 44.1 | Very low | 45 Ų | 45 | 110.3 Ų | 110.3 | 24% | 0.236 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -97.3 | -31.7 | -166.6 | -69 | 167.7 | 0 | 0 | 0 | 113.3 | M366 M370 M384 V397 | M366-L400 HydrophobicContact CG-CD2 4.17Å; M370-L400 HydrophobicContact CE-CB 3.8Å; M370-L400 WeakPolarHBondContact CE-O 3.4Å; M370-L400 HydrophobicContact SD-CB 3.89Å; M370-L400 HydrophobicContact SD-CD2 3.58Å; M370-L400 VanDerWaalsContact SD-CD2 3.58Å; M370-L400 HydrophobicContact SD-CG 4.32Å; M384-L400 HydrophobicContact CE-CD1 3.42Å; M384-L400 VanDerWaalsContact CE-CD1 3.42Å; M384-L400 HydrophobicContact SD-CD1 3.4Å; M384-L400 WeakPolarHBondContact SD-CD1 3.45Å; V397-L400 PolarHBondContact O-N 3.28Å; V397-L400 VanDerWaalsContact O-N 3.13Å |
| 401 | L | 33.6 | Very low | 41.2 | Very low | 90 Ų | 90 | 114.2 Ų | 114.2 | 47% | 0.471 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -89.9 | 118.9 | 168.4 | -70.3 | 174.2 | 0 | 0 | 0 | 109 | T381 A403 | T381-L401 HydrophobicContact CG2-CD1 3.48Å; T381-L401 VanDerWaalsContact CG2-CD1 3.48Å; T381-L401 HydrophobicContact CG2-CG 3.87Å; T381-L401 WeakPolarHBondContact OG1-CD2 3.49Å; T381-L401 WeakPolarHBondContact OG1-CG 3.24Å; L401-A403 PolarHBondContact O-N 2.97Å; L401-A403 VanDerWaalsContact O-N 3.09Å |
| 402 | P | 32.4 | Very low | 38.4 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | trans | -58.4 | 123.9 | 166.1 | 24.6 | -28.2 | 0 | 0 | 0 | 106.3 | A404 | P402-A404 PolarHBondContact O-N 3.46Š| ||
| 403 | A | 30 | Very low | 36.2 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 56% | 0.562 | 64% | 0.638 | S | S | * | * | trans | -43.2 | 112.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | L401 G405 E406 | L401-A403 PolarHBondContact O-N 2.97Å; L401-A403 VanDerWaalsContact O-N 3.09Å; A403-G405 VanDerWaalsContact C-N 3.26Å; A403-G405 PolarHBondContact O-N 2.99Å; A403-E406 PolarHBondContact O-N 3.46Å | ||
| 404 | A | 29.5 | Very low | 34.3 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 95% | 0.95 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 93.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | P402 | P402-A404 PolarHBondContact O-N 3.46Š|
| 405 | G | 27.2 | Very low | 33.2 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.3 | -18.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A403 | A403-G405 VanDerWaalsContact C-N 3.26Å; A403-G405 PolarHBondContact O-N 2.99Å |
| 406 | E | 23 | Very low | 32 | Very low | 149 Ų | 149 | 117.8 Ų | 117.8 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | trans | -107.5 | 75.9 | 158.1 | -70.3 | -176.8 | -177.7 | 0 | 0 | 106.4 | A403 E408 | A403-E406 PolarHBondContact O-N 3.46Å; E406-E408 PolarHBondContact O-N 2.83Å | ||
| 407 | E | 23.4 | Very low | 31.4 | Very low | 188 Ų | 188 | 123 Ų | 123 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | trans | -52.3 | 85.6 | 134.8 | -73.3 | -179.9 | 172 | 0 | 0 | 104.7 | S409 | E407-S409 PolarHBondContact O-N 2.93Š| ||
| 408 | E | 27.6 | Very low | 31.6 | Very low | 174 Ų | 174 | 128 Ų | 128 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -53.4 | 92.6 | 148.3 | -92.7 | -166.7 | 159.8 | 0 | 0 | 101.5 | E406 D410 | E406-E408 PolarHBondContact O-N 2.83Å; E408-D410 PolarHBondContact O-N 3.44Å | ||
| 409 | S | 23.2 | Very low | 33.2 | Very low | 81 Ų | 81 | 127 Ų | 127 | 57% | 0.566 | 69% | 0.691 | S | S | * | * | trans | -40.2 | 123.5 | 175.3 | 50.1 | 0 | 0 | 0 | 0 | 104 | E407 E411 | E407-S409 PolarHBondContact O-N 2.93Å; S409-E411 PolarHBondContact O-N 3.28Å | ||
| 410 | D | 25.7 | Very low | 35 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | trans | -49.2 | 89.4 | 138.7 | -84.2 | -34.7 | 0 | 0 | 0 | 103 | E408 H412 | E408-D410 PolarHBondContact O-N 3.44Å; D410-H412 PolarHBondContact O-N 2.79Å | ||
| 411 | E | 24.5 | Very low | 36.8 | Very low | 145 Ų | 145 | 127 Ų | 127 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -58.9 | 80.7 | 147.9 | -82.2 | -165.4 | 157.7 | 0 | 0 | 101.5 | S409 T413 | S409-E411 PolarHBondContact O-N 3.28Å; E411-T413 HydrophobicContact CB-CG2 4.04Å; E411-T413 PolarHBondContact O-N 2.94Å; E411-T413 PolarHBondContact O-OG1 3.27Å | ||
| 412 | H | 24.8 | Very low | 39.1 | Very low | 169 Ų | 169 | 125 Ų | 125 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | -24.8 | 64.4 | 94.6 | -68.7 | -45 | 0 | 0 | 0 | 110 | D410 A414 | D410-H412 PolarHBondContact O-N 2.79Å; H412-A414 PolarHBondContact O-N 2.94Å | |||
| 413 | T | 29.2 | Very low | 41.6 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 59% | 0.589 | 69% | 0.685 | S | S | * | * | trans | -49.5 | 103.4 | 148.9 | 30.8 | 0 | 0 | 0 | 0 | 99.6 | E411 K415 | E411-T413 HydrophobicContact CB-CG2 4.04Å; E411-T413 PolarHBondContact O-N 2.94Å; E411-T413 PolarHBondContact O-OG1 3.27Å; T413-K415 PolarHBondContact O-N 3.13Å | ||
| 414 | A | 28.9 | Very low | 44 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 66% | 0.661 | 68% | 0.681 | S | S | * | * | trans | -41 | 140 | 178 | 0 | 0 | 0 | 0 | 0 | 105.1 | H412 G416 | H412-A414 PolarHBondContact O-N 2.94Å; A414-G416 PolarHBondContact O-N 2.9Å | ||
| 415 | K | 36.3 | Very low | 46.6 | Very low | 222 Ų | 222 | 124.1 Ų | 124.1 | 97% | 0.965 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -59.8 | 29.2 | 167.3 | -74.9 | 178 | 173.7 | 173.8 | 0 | 112 | T413 R417 | T413-K415 PolarHBondContact O-N 3.13Å; K415-R417 VanDerWaalsContact C-N 3.35Å; K415-R417 PolarHBondContact O-N 3.1Å |
| 416 | G | 35.6 | Very low | 49.4 | Very low | 55 Ų | 55 | 126.1 Ų | 126.1 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | trans | -51.3 | 101.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A414 K418 | A414-G416 PolarHBondContact O-N 2.9Å; G416-K418 PolarHBondContact O-N 2.93Å | ||
| 417 | R | 40.7 | Very low | 52.5 | Low | 242 Ų | 242 | 122.5 Ų | 122.5 | 91% | 0.913 | 64% | 0.635 | S | S | * | * | trans | -9.7 | 103.5 | 159.6 | -140.7 | 173.6 | -176.2 | 168.8 | -0.5 | 111.2 | K415 D419 | K415-R417 VanDerWaalsContact C-N 3.35Å; K415-R417 PolarHBondContact O-N 3.1Å; R417-D419 VanDerWaalsContact C-N 3.35Å; R417-D419 PolarHBondContact O-N 2.84Å | ||
| 418 | K | 49.6 | Very low | 55.2 | Low | 150 Ų | 150 | 115.9 Ų | 115.9 | 65% | 0.652 | 61% | 0.606 | S | S | * | * | trans | -56.7 | 99 | 175.8 | -69.8 | -173.8 | 177.3 | -171.4 | 0 | 108.3 | G416 I423 | G416-K418 PolarHBondContact O-N 2.93Å; K418-I423 HydrophobicContact CB-CD1 4.18Å; K418-I423 HydrophobicContact CB-CG1 4.28Å; K418-I423 HydrophobicContact CD-CD1 4.47Å; K418-I423 HydrophobicContact CD-CG1 4.36Å | ||
| 419 | D | 70.2 | Confident | 57.9 | Low | 119 Ų | 119 | 112 Ų | 112 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | trans | -65 | 145.7 | 170.6 | -173.3 | 8.7 | 0 | 0 | 0 | 108.4 | R417 K421 A422 | R417-D419 VanDerWaalsContact C-N 3.35Å; R417-D419 PolarHBondContact O-N 2.84Å; D419-K421 PolarHBondContact O-N 3.37Å; D419-A422 WeakPolarHBondContact O-CB 3.5Å; D419-A422 PolarHBondContact O-N 3.44Å | ||
| 420 | G | 77.8 | Confident | 61.2 | Low | 48 Ų | 48 | 109.1 Ų | 109.1 | 50% | 0.495 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -55.5 | -28.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | A422 I423 F424 | G420-A422 PolarHBondContact O-N 2.96Å; G420-I423 PolarHBondContact O-N 3.38Å; G420-F424 WeakPolarHBondContact O-CB 3.39Å; G420-F424 PolarHBondContact O-N 3.4Å |
| 421 | K | 79.4 | Confident | 63.9 | Low | 149 Ų | 149 | 103.3 Ų | 103.3 | 65% | 0.648 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -37.2 | 175.2 | -168.7 | 176.3 | -178.1 | -179.6 | 0 | 113.4 | D419 N425 | D419-K421 PolarHBondContact O-N 3.37Å; K421-N425 WeakPolarHBondContact O-CB 3.04Å; K421-N425 VanDerWaalsContact O-CG 3.27Å; K421-N425 PolarHBondContact O-N 3.36Å |
| 422 | A | 83 | Confident | 66.3 | Low | 48 Ų | 48 | 99.3 Ų | 99.3 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D419 G420 N425 Q426 | D419-A422 WeakPolarHBondContact O-CB 3.5Å; D419-A422 PolarHBondContact O-N 3.44Å; G420-A422 PolarHBondContact O-N 2.96Å; A422-N425 PolarHBondContact O-N 2.8Å; A422-Q426 WeakPolarHBondContact O-CG 3.27Å; A422-Q426 PolarHBondContact O-N 2.68Å |
| 423 | I | 84 | Confident | 68.9 | Low | 81 Ų | 81 | 92.2 Ų | 92.2 | 42% | 0.415 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 175.9 | -62 | 173.6 | 0 | 0 | 0 | 110.1 | K418 G420 N425 Q426 V427 | K418-I423 HydrophobicContact CB-CD1 4.18Å; K418-I423 HydrophobicContact CB-CG1 4.28Å; K418-I423 HydrophobicContact CD-CD1 4.47Å; K418-I423 HydrophobicContact CD-CG1 4.36Å; G420-I423 PolarHBondContact O-N 3.38Å; I423-N425 PolarHBondContact O-N 2.92Å; I423-Q426 WeakPolarHBondContact O-CB 3.43Å; I423-Q426 PolarHBondContact O-N 2.89Å; I423-V427 WeakPolarHBondContact O-CG2 3.42Å; I423-V427 PolarHBondContact O-N 3.11Å |
| 424 | F | 81 | Confident | 71.7 | Confident | 111 Ų | 111 | 87.6 Ų | 87.6 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 177.5 | -179.5 | -104.1 | 0 | 0 | 0 | 112.2 | G420 Q426 V427 L428 | G420-F424 WeakPolarHBondContact O-CB 3.39Å; G420-F424 PolarHBondContact O-N 3.4Å; F424-Q426 VanDerWaalsContact C-N 3.32Å; F424-Q426 PolarHBondContact O-N 2.8Å; F424-V427 PolarHBondContact O-N 3.12Å; F424-L428 HydrophobicContact CD1-CD1 3.91Å; F424-L428 HydrophobicContact CD1-CG 4.38Å; F424-L428 HydrophobicContact CE1-CD1 3.34Å; F424-L428 HydrophobicContact CE1-CG 4.03Å; F424-L428 HydrophobicContact CZ-CD1 3.74Å; F424-L428 HydrophobicContact CZ-CD2 4.23Å; F424-L428 HydrophobicContact CZ-CG 4.09Å; F424-L428 WeakPolarHBondContact O-CG 3.19Å; F424-L428 PolarHBondContact O-N 3.34Å |
| 425 | N | 83 | Confident | 74.1 | Confident | 85 Ų | 85 | 85.6 Ų | 85.6 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 176.7 | -73.3 | -10 | 0 | 0 | 0 | 112.6 | K421 A422 I423 L428 D429 | K421-N425 WeakPolarHBondContact O-CB 3.04Å; K421-N425 VanDerWaalsContact O-CG 3.27Å; K421-N425 PolarHBondContact O-N 3.36Å; A422-N425 PolarHBondContact O-N 2.8Å; I423-N425 PolarHBondContact O-N 2.92Å; N425-L428 PolarHBondContact O-N 3.4Å; N425-D429 WeakPolarHBondContact O-CB 2.9Å; N425-D429 PolarHBondContact O-N 3.24Å |
| 426 | Q | 87.6 | Confident | 76.1 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 175 | -74.8 | 176.4 | -9.8 | 0 | 0 | 112 | A422 I423 F424 D429 Y430 | A422-Q426 WeakPolarHBondContact O-CG 3.27Å; A422-Q426 PolarHBondContact O-N 2.68Å; I423-Q426 WeakPolarHBondContact O-CB 3.43Å; I423-Q426 PolarHBondContact O-N 2.89Å; F424-Q426 VanDerWaalsContact C-N 3.32Å; F424-Q426 PolarHBondContact O-N 2.8Å; Q426-D429 PolarHBondContact O-N 3.03Å; Q426-Y430 WeakPolarHBondContact O-CB 3.37Å; Q426-Y430 PolarHBondContact O-N 3.3Å |
| 427 | V | 87.2 | Confident | 78.3 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | I423 F424 D429 Y430 L431 | I423-V427 WeakPolarHBondContact O-CG2 3.42Å; I423-V427 PolarHBondContact O-N 3.11Å; F424-V427 PolarHBondContact O-N 3.12Å; V427-D429 PolarHBondContact O-N 3.41Å; V427-Y430 PolarHBondContact O-N 2.82Å; V427-L431 HydrophobicContact CG1-CD1 4.01Å; V427-L431 HydrophobicContact CG1-CG 4.41Å; V427-L431 WeakPolarHBondContact O-CG 3.33Å; V427-L431 PolarHBondContact O-N 3.31Å |
| 428 | L | 80.5 | Confident | 80.3 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.3 | -69.8 | -175.9 | 0 | 0 | 0 | 112.6 | F424 N425 Y430 L431 S432 F623 | F424-L428 HydrophobicContact CD1-CD1 3.91Å; F424-L428 HydrophobicContact CD1-CG 4.38Å; F424-L428 HydrophobicContact CE1-CD1 3.34Å; F424-L428 HydrophobicContact CE1-CG 4.03Å; F424-L428 HydrophobicContact CZ-CD1 3.74Å; F424-L428 HydrophobicContact CZ-CD2 4.23Å; F424-L428 HydrophobicContact CZ-CG 4.09Å; F424-L428 WeakPolarHBondContact O-CG 3.19Å; F424-L428 PolarHBondContact O-N 3.34Å; N425-L428 PolarHBondContact O-N 3.4Å; L428-Y430 VanDerWaalsContact C-N 3.34Å; L428-L431 PolarHBondContact O-N 3.03Å; L428-S432 VanDerWaalsContact O-CB 3.26Å; L428-S432 WeakPolarHBondContact O-CB 2.95Å; L428-S432 PolarHBondContact O-N 3.25Å; L428-F623 HydrophobicContact CD2-CE1 4.35Å |
| 429 | D | 83.7 | Confident | 81.4 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 177 | 176 | 54.9 | 0 | 0 | 0 | 112 | N425 Q426 V427 G433 K495 | N425-D429 WeakPolarHBondContact O-CB 2.9Å; N425-D429 PolarHBondContact O-N 3.24Å; Q426-D429 PolarHBondContact O-N 3.03Å; V427-D429 PolarHBondContact O-N 3.41Å; D429-G433 WeakPolarHBondContact O-CA 3.25Å; D429-G433 PolarHBondContact O-N 2.75Å; D429-K495 WeakPolarHBondContact O-CE 3.36Å; D429-K495 IonicContact OD1-NZ 3.76Å; D429-K495 PolarHBondContact OD1-NZ 2.98Å; D429-K495 VanDerWaalsContact OD2-CE 3.25Å; D429-K495 WeakPolarHBondContact OD2-CE 3.32Å; D429-K495 IonicContact OD2-NZ 3.41Å; D429-K495 PolarHBondContact OD2-NZ 3.03Å |
| 430 | Y | 91.8 | Very high | 81.7 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 174.2 | 173.2 | -121.1 | 0 | 0 | 0 | 112.5 | Q426 V427 L428 G433 S434 A492 K495 L496 I545 V549 | Q426-Y430 WeakPolarHBondContact O-CB 3.37Å; Q426-Y430 PolarHBondContact O-N 3.3Å; V427-Y430 PolarHBondContact O-N 2.82Å; L428-Y430 VanDerWaalsContact C-N 3.34Å; Y430-G433 PolarHBondContact O-N 2.79Å; Y430-S434 VanDerWaalsContact CE2-OG 3.26Å; Y430-S434 WeakPolarHBondContact CE2-OG 3.38Å; Y430-S434 WeakPolarHBondContact O-CB 3.2Å; Y430-S434 PolarHBondContact O-N 2.84Å; Y430-S434 PolarHBondContact O-OG 3.36Å; Y430-A492 HydrophobicContact CE2-CB 4.1Å; Y430-K495 HydrophobicContact CD2-CB 4.42Å; Y430-K495 HydrophobicContact CD2-CG 3.8Å; Y430-K495 HydrophobicContact CE2-CG 4.42Å; Y430-L496 HydrophobicContact CD2-CD1 4.05Å; Y430-L496 HydrophobicContact CD2-CD2 4.06Å; Y430-L496 HydrophobicContact CD2-CG 3.84Å; Y430-L496 HydrophobicContact CE2-CD1 3.41Å; Y430-L496 VanDerWaalsContact CE2-CD1 3.41Å; Y430-L496 HydrophobicContact CE2-CD2 4.22Å; Y430-L496 HydrophobicContact CE2-CG 3.52Å; Y430-I545 HydrophobicContact CD1-CG2 4.31Å; Y430-I545 HydrophobicContact CE1-CG2 3.53Å; Y430-I545 PolarHBondContact OH-O 2.81Å; Y430-V549 HydrophobicContact CD1-CG2 4.07Å; Y430-V549 HydrophobicContact CE1-CG2 3.28Å |
| 431 | L | 83.2 | Confident | 81.8 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 176.8 | -70.4 | 174.3 | 0 | 0 | 0 | 110.9 | V427 L428 G433 S434 L435 I545 | V427-L431 HydrophobicContact CG1-CD1 4.01Å; V427-L431 HydrophobicContact CG1-CG 4.41Å; V427-L431 WeakPolarHBondContact O-CG 3.33Å; V427-L431 PolarHBondContact O-N 3.31Å; L428-L431 PolarHBondContact O-N 3.03Å; L431-G433 PolarHBondContact O-N 3Å; L431-S434 PolarHBondContact O-N 2.78Å; L431-L435 WeakPolarHBondContact O-CG 3.46Å; L431-L435 PolarHBondContact O-N 2.67Å; L431-L435 VanDerWaalsContact O-N 3.12Å; L431-I545 HydrophobicContact CD2-CG2 3.76Å |
| 432 | S | 74.1 | Confident | 81.5 | Confident | 62 Ų | 62 | 55 Ų | 55 | 43% | 0.434 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 178.3 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | L428 S434 L435 T436 | L428-S432 VanDerWaalsContact O-CB 3.26Å; L428-S432 WeakPolarHBondContact O-CB 2.95Å; L428-S432 PolarHBondContact O-N 3.25Å; S432-S434 VanDerWaalsContact C-N 3.27Å; S432-S434 PolarHBondContact O-N 2.83Å; S432-L435 PolarHBondContact O-N 3.49Å; S432-T436 VanDerWaalsContact O-CB 3.28Å; S432-T436 WeakPolarHBondContact O-CB 3.49Å; S432-T436 PolarHBondContact O-N 3.07Å; S432-T436 PolarHBondContact O-OG1 3.37Å |
| 433 | G | 79.7 | Confident | 80.8 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.3 | -25.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D429 Y430 L431 P437 | D429-G433 WeakPolarHBondContact O-CA 3.25Å; D429-G433 PolarHBondContact O-N 2.75Å; Y430-G433 PolarHBondContact O-N 2.79Å; L431-G433 PolarHBondContact O-N 3Å; G433-P437 VanDerWaalsContact O-CD 3.23Å; G433-P437 WeakPolarHBondContact O-CD 3.47Å; G433-P437 WeakPolarHBondContact O-CG 3.28Å |
| 434 | S | 87.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -81.3 | -31.2 | 174.4 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | Y430 L431 S432 S491 | Y430-S434 VanDerWaalsContact CE2-OG 3.26Å; Y430-S434 WeakPolarHBondContact CE2-OG 3.38Å; Y430-S434 WeakPolarHBondContact O-CB 3.2Å; Y430-S434 PolarHBondContact O-N 2.84Å; Y430-S434 PolarHBondContact O-OG 3.36Å; L431-S434 PolarHBondContact O-N 2.78Å; S432-S434 VanDerWaalsContact C-N 3.27Å; S432-S434 PolarHBondContact O-N 2.83Å; S434-S491 WeakPolarHBondContact O-CB 3.29Å; S434-S491 PolarHBondContact O-OG 2.93Å |
| 435 | L | 79.9 | Confident | 80.2 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -94.4 | -31.8 | -176.6 | -66.9 | 177.1 | 0 | 0 | 0 | 114.5 | L431 S432 P437 L438 V541 M626 | L431-L435 WeakPolarHBondContact O-CG 3.46Å; L431-L435 PolarHBondContact O-N 2.67Å; L431-L435 VanDerWaalsContact O-N 3.12Å; S432-L435 PolarHBondContact O-N 3.49Å; L435-P437 VanDerWaalsContact C-CD 3.42Å; L435-P437 VanDerWaalsContact C-N 3.34Å; L435-L438 HydrophobicContact CD2-CD1 4.48Å; L435-L438 WeakPolarHBondContact O-CB 3.25Å; L435-L438 PolarHBondContact O-N 2.98Å; L435-V541 HydrophobicContact CD2-CG1 4.07Å; L435-M626 VanDerWaalsContact CD1-O 3.31Å; L435-M626 WeakPolarHBondContact CD1-O 3.32Å |
| 436 | T | 77.4 | Confident | 79.5 | Confident | 73 Ų | 73 | 47 Ų | 47 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -55.1 | -42 | -178 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | S432 L438 I439 | S432-T436 VanDerWaalsContact O-CB 3.28Å; S432-T436 WeakPolarHBondContact O-CB 3.49Å; S432-T436 PolarHBondContact O-N 3.07Å; S432-T436 PolarHBondContact O-OG1 3.37Å; T436-L438 PolarHBondContact O-N 3.34Å; T436-I439 HydrophobicContact CG2-CD1 4.09Å; T436-I439 WeakPolarHBondContact O-CB 3.34Å; T436-I439 WeakPolarHBondContact O-CD1 3.33Å; T436-I439 VanDerWaalsContact O-CG1 3.28Å; T436-I439 WeakPolarHBondContact O-CG1 3.37Å; T436-I439 PolarHBondContact O-N 2.94Å |
| 437 | P | 83 | Confident | 78.8 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -63.8 | -19.4 | 176.7 | -23.8 | 37.2 | 0 | 0 | 0 | 114.3 | G433 L435 W490 R494 | G433-P437 VanDerWaalsContact O-CD 3.23Å; G433-P437 WeakPolarHBondContact O-CD 3.47Å; G433-P437 WeakPolarHBondContact O-CG 3.28Å; L435-P437 VanDerWaalsContact C-CD 3.42Å; L435-P437 VanDerWaalsContact C-N 3.34Å; P437-W490 HydrophobicContact CB-CH2 4.18Å; P437-W490 HydrophobicContact CB-CZ3 3.9Å; P437-R494 VanDerWaalsContact CB-NH2 3.29Å |
| 438 | L | 81.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -90.2 | -8.5 | -177 | -52 | -171.2 | 0 | 0 | 0 | 112.7 | L435 T436 P440 I441 L442 L484 F487 I488 W490 | L435-L438 HydrophobicContact CD2-CD1 4.48Å; L435-L438 WeakPolarHBondContact O-CB 3.25Å; L435-L438 PolarHBondContact O-N 2.98Å; T436-L438 PolarHBondContact O-N 3.34Å; L438-P440 VanDerWaalsContact C-N 3.35Å; L438-I441 PolarHBondContact O-N 3.22Å; L438-I441 VanDerWaalsContact O-N 3.1Å; L438-L442 HydrophobicContact CB-CD1 4.38Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 3.18Å; L438-L484 HydrophobicContact CD1-CD2 4.12Å; L438-F487 HydrophobicContact CD1-CB 4.04Å; L438-F487 HydrophobicContact CD2-CB 3.69Å; L438-F487 HydrophobicContact CG-CB 4.5Å; L438-I488 HydrophobicContact CD1-CG1 3.63Å; L438-W490 HydrophobicContact CD2-CE3 3.99Å; L438-W490 HydrophobicContact CD2-CZ3 3.97Å |
| 439 | I | 73.9 | Confident | 77.9 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 29% | 0.287 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -49.9 | -47 | 179.8 | -73.5 | 174.5 | 0 | 0 | 0 | 112.6 | T436 I441 L442 L443 Y684 | T436-I439 HydrophobicContact CG2-CD1 4.09Å; T436-I439 WeakPolarHBondContact O-CB 3.34Å; T436-I439 WeakPolarHBondContact O-CD1 3.33Å; T436-I439 VanDerWaalsContact O-CG1 3.28Å; T436-I439 WeakPolarHBondContact O-CG1 3.37Å; T436-I439 PolarHBondContact O-N 2.94Å; I439-I441 PolarHBondContact O-N 3.4Å; I439-L442 PolarHBondContact O-N 2.81Å; I439-L443 WeakPolarHBondContact O-CB 3.09Å; I439-L443 PolarHBondContact O-N 2.75Å; I439-Y684 HydrophobicContact CG2-CE1 3.94Å; I439-Y684 WeakPolarHBondContact CG2-OH 3.14Å |
| 440 | P | 75.6 | Confident | 77.2 | Confident | 83 Ų | 83 | 37 Ų | 37 | 54% | 0.539 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 179.5 | -24.2 | 35.6 | 0 | 0 | 0 | 112.8 | L438 L443 V444 | L438-P440 VanDerWaalsContact C-N 3.35Å; P440-L443 PolarHBondContact O-N 2.82Å; P440-V444 WeakPolarHBondContact O-CG2 3.42Å; P440-V444 PolarHBondContact O-N 2.8Å |
| 441 | I | 81.1 | Confident | 76.4 | Confident | 53 Ų | 53 | 38.6 Ų | 38.6 | 27% | 0.272 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.8 | -50.1 | 177.8 | -63.7 | 172.6 | 0 | 0 | 0 | 109.7 | L438 I439 L443 V444 A445 F487 | L438-I441 PolarHBondContact O-N 3.22Å; L438-I441 VanDerWaalsContact O-N 3.1Å; I439-I441 PolarHBondContact O-N 3.4Å; I441-L443 VanDerWaalsContact C-N 3.3Å; I441-L443 PolarHBondContact O-N 3.09Å; I441-V444 PolarHBondContact O-N 2.78Å; I441-A445 WeakPolarHBondContact O-CB 3.45Å; I441-A445 PolarHBondContact O-N 2.88Å; I441-F487 HydrophobicContact CD1-CD1 4.13Å; I441-F487 HydrophobicContact CD1-CD2 4.17Å; I441-F487 HydrophobicContact CD1-CE1 4.27Å; I441-F487 HydrophobicContact CD1-CE2 4.31Å; I441-F487 HydrophobicContact CD1-CG 4.09Å; I441-F487 HydrophobicContact CD1-CZ 4.36Å; I441-F487 HydrophobicContact CG2-CD2 4.11Å; I441-F487 HydrophobicContact CG2-CE2 3.77Å; I441-F487 HydrophobicContact CG2-CZ 4.4Å |
| 442 | L | 73.4 | Confident | 76 | Confident | 48 Ų | 48 | 37.7 Ų | 37.7 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 179.7 | -69.7 | 177.6 | 0 | 0 | 0 | 112.2 | L438 I439 S446 F481 L484 | L438-L442 HydrophobicContact CB-CD1 4.38Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 3.18Å; I439-L442 PolarHBondContact O-N 2.81Å; L442-S446 VanDerWaalsContact O-CB 3.28Å; L442-S446 WeakPolarHBondContact O-CB 3.41Å; L442-S446 PolarHBondContact O-N 2.87Å; L442-S446 PolarHBondContact O-OG 2.84Å; L442-F481 HydrophobicContact CD2-CD1 3.97Å; L442-F481 HydrophobicContact CD2-CE1 3.76Å; L442-L484 HydrophobicContact CD2-CD1 4.45Å; L442-L484 HydrophobicContact CD2-CD2 4.04Å |
| 443 | L | 67.8 | Low | 75.8 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.8 | -48.7 | 178.1 | -176.9 | 147.4 | 0 | 0 | 0 | 111.1 | I439 P440 I441 S446 L447 Y684 | I439-L443 WeakPolarHBondContact O-CB 3.09Å; I439-L443 PolarHBondContact O-N 2.75Å; P440-L443 PolarHBondContact O-N 2.82Å; I441-L443 VanDerWaalsContact C-N 3.3Å; I441-L443 PolarHBondContact O-N 3.09Å; L443-S446 PolarHBondContact O-N 2.72Å; L443-L447 HydrophobicContact CD2-CD1 3.52Å; L443-L447 HydrophobicContact CD2-CG 4.35Å; L443-L447 HydrophobicContact CG-CD1 4.33Å; L443-L447 WeakPolarHBondContact O-CB 3.34Å; L443-L447 WeakPolarHBondContact O-CG 3.48Å; L443-L447 PolarHBondContact O-N 2.55Å; L443-Y684 HydrophobicContact CD1-CD1 3.93Å; L443-Y684 HydrophobicContact CD1-CE1 3.75Å |
| 444 | V | 76.8 | Confident | 75.4 | Confident | 80 Ų | 80 | 36.9 Ų | 36.9 | 49% | 0.485 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | P440 I441 S446 L447 C448 | P440-V444 WeakPolarHBondContact O-CG2 3.42Å; P440-V444 PolarHBondContact O-N 2.8Å; I441-V444 PolarHBondContact O-N 2.78Å; V444-S446 VanDerWaalsContact C-N 3.27Å; V444-S446 PolarHBondContact O-N 3.03Å; V444-L447 PolarHBondContact O-N 3.33Å; V444-L447 VanDerWaalsContact O-N 3.11Å; V444-C448 PolarHBondContact O-N 2.91Å; V444-C448 PolarHBondContact O-SG 2.76Å; V444-C448 VanDerWaalsContact O-SG 3.38Å |
| 445 | A | 75 | Confident | 74.8 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.5 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I441 K449 G477 F481 | I441-A445 WeakPolarHBondContact O-CB 3.45Å; I441-A445 PolarHBondContact O-N 2.88Å; A445-K449 WeakPolarHBondContact O-CG 3.29Å; A445-K449 PolarHBondContact O-N 3.42Å; A445-G477 WeakPolarHBondContact CB-O 3.23Å; A445-G477 WeakPolarHBondContact O-CA 3.17Å; A445-F481 HydrophobicContact CB-CD2 4.02Å; A445-F481 HydrophobicContact CB-CE2 3.64Å; A445-F481 HydrophobicContact CB-CZ 4.23Å |
| 446 | S | 68 | Low | 74.5 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | L442 L443 V444 K449 T450 | L442-S446 VanDerWaalsContact O-CB 3.28Å; L442-S446 WeakPolarHBondContact O-CB 3.41Å; L442-S446 PolarHBondContact O-N 2.87Å; L442-S446 PolarHBondContact O-OG 2.84Å; L443-S446 PolarHBondContact O-N 2.72Å; V444-S446 VanDerWaalsContact C-N 3.27Å; V444-S446 PolarHBondContact O-N 3.03Å; S446-K449 PolarHBondContact O-N 2.56Å; S446-T450 WeakPolarHBondContact O-CB 3.46Å; S446-T450 PolarHBondContact O-N 2.83Å; S446-T450 PolarHBondContact O-OG1 3.41Å |
| 447 | L | 72.5 | Confident | 74 | Confident | 63 Ų | 63 | 36.6 Ų | 36.6 | 33% | 0.33 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 178.9 | -76.6 | 176.9 | 0 | 0 | 0 | 112.1 | L443 V444 K449 T450 V451 T687 | L443-L447 HydrophobicContact CD2-CD1 3.52Å; L443-L447 HydrophobicContact CD2-CG 4.35Å; L443-L447 HydrophobicContact CG-CD1 4.33Å; L443-L447 WeakPolarHBondContact O-CB 3.34Å; L443-L447 WeakPolarHBondContact O-CG 3.48Å; L443-L447 PolarHBondContact O-N 2.55Å; V444-L447 PolarHBondContact O-N 3.33Å; V444-L447 VanDerWaalsContact O-N 3.11Å; L447-K449 PolarHBondContact O-N 2.6Å; L447-T450 VanDerWaalsContact O-CB 3.3Å; L447-T450 WeakPolarHBondContact O-CB 3.36Å; L447-T450 PolarHBondContact O-N 2.99Å; L447-V451 WeakPolarHBondContact O-CG2 3.49Å; L447-V451 PolarHBondContact O-N 3.09Å; L447-T687 HydrophobicContact CD2-CG2 3.92Å; L447-T687 HydrophobicContact CG-CG2 4.27Å |
| 448 | C | 78.5 | Confident | 72.9 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -50.8 | 174 | -72.5 | 0 | 0 | 0 | 0 | 110.5 | V444 T450 V451 G452 F473 V476 | V444-C448 PolarHBondContact O-N 2.91Å; V444-C448 PolarHBondContact O-SG 2.76Å; V444-C448 VanDerWaalsContact O-SG 3.38Å; C448-T450 VanDerWaalsContact C-N 3.29Å; C448-T450 PolarHBondContact O-N 3.42Å; C448-V451 PolarHBondContact O-N 2.96Å; C448-G452 PolarHBondContact O-N 2.96Å; C448-F473 CarbonylContact C-O 3.05Å; C448-F473 HydrophobicContact CB-CD1 3.99Å; C448-F473 WeakPolarHBondContact CB-O 3.37Å; C448-F473 WeakPolarHBondContact O-CB 3.5Å; C448-V476 HydrophobicContact CB-CG1 4.4Å |
| 449 | K | 71.8 | Confident | 71.9 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 175.6 | -64.1 | -173 | -164.8 | -168.9 | 0 | 112.8 | A445 S446 L447 V451 G452 V453 G477 D478 F481 N719 | A445-K449 WeakPolarHBondContact O-CG 3.29Å; A445-K449 PolarHBondContact O-N 3.42Å; S446-K449 PolarHBondContact O-N 2.56Å; L447-K449 PolarHBondContact O-N 2.6Å; K449-V451 VanDerWaalsContact C-N 3.35Å; K449-V451 PolarHBondContact O-N 3.33Å; K449-G452 PolarHBondContact O-N 3.3Å; K449-V453 WeakPolarHBondContact O-CB 3.46Å; K449-V453 VanDerWaalsContact O-CG2 3.26Å; K449-V453 WeakPolarHBondContact O-CG2 3.5Å; K449-V453 PolarHBondContact O-N 3.01Å; K449-G477 VanDerWaalsContact CE-CA 3.43Å; K449-G477 WeakPolarHBondContact CE-O 3.5Å; K449-G477 PolarHBondContact NZ-O 3.32Å; K449-D478 VanDerWaalsContact CE-N 3.26Å; K449-D478 WeakPolarHBondContact CE-OD1 3.34Å; K449-D478 IonicContact NZ-OD1 2.56Å; K449-D478 PolarHBondContact NZ-OD1 3.47Å; K449-F481 HydrophobicContact CD-CE2 4.29Å; K449-N719 WeakPolarHBondContact CD-OD1 3.32Å; K449-N719 PolarHBondContact NZ-ND2 3.44Å; K449-N719 PolarHBondContact NZ-OD1 3.25Å |
| 450 | T | 68.4 | Low | 71.9 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.7 | -49.2 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | S446 L447 C448 G452 V453 V454 L690 G691 | S446-T450 WeakPolarHBondContact O-CB 3.46Å; S446-T450 PolarHBondContact O-N 2.83Å; S446-T450 PolarHBondContact O-OG1 3.41Å; L447-T450 VanDerWaalsContact O-CB 3.3Å; L447-T450 WeakPolarHBondContact O-CB 3.36Å; L447-T450 PolarHBondContact O-N 2.99Å; C448-T450 VanDerWaalsContact C-N 3.29Å; C448-T450 PolarHBondContact O-N 3.42Å; T450-G452 VanDerWaalsContact C-N 3.33Å; T450-G452 PolarHBondContact O-N 3.07Å; T450-V453 PolarHBondContact O-N 3.1Å; T450-V454 HydrophobicContact CG2-CG2 4.22Å; T450-V454 WeakPolarHBondContact O-CB 3.27Å; T450-V454 VanDerWaalsContact O-CG2 3.27Å; T450-V454 WeakPolarHBondContact O-CG2 3.23Å; T450-V454 PolarHBondContact O-N 3.16Å; T450-L690 VanDerWaalsContact CG2-O 3.26Å; T450-L690 WeakPolarHBondContact CG2-O 3.09Å; T450-G691 VanDerWaalsContact OG1-CA 3.23Å; T450-G691 WeakPolarHBondContact OG1-CA 3.33Å |
| 451 | V | 75.4 | Confident | 72 | Confident | 56 Ų | 56 | 44 Ų | 44 | 34% | 0.339 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 178.7 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | L447 C448 K449 V453 V454 L455 F473 | L447-V451 WeakPolarHBondContact O-CG2 3.49Å; L447-V451 PolarHBondContact O-N 3.09Å; C448-V451 PolarHBondContact O-N 2.96Å; K449-V451 VanDerWaalsContact C-N 3.35Å; K449-V451 PolarHBondContact O-N 3.33Å; V451-V453 PolarHBondContact O-N 3.47Å; V451-V454 PolarHBondContact O-N 3.28Å; V451-L455 HydrophobicContact CG1-CD1 3.79Å; V451-L455 HydrophobicContact CG1-CG 4.32Å; V451-L455 WeakPolarHBondContact O-CB 3.35Å; V451-L455 VanDerWaalsContact O-CG 3.3Å; V451-L455 WeakPolarHBondContact O-CG 3.43Å; V451-L455 PolarHBondContact O-N 2.63Å; V451-F473 HydrophobicContact CB-CD1 4.29Å; V451-F473 HydrophobicContact CB-CE1 4.37Å; V451-F473 HydrophobicContact CB-CG 4.38Å; V451-F473 HydrophobicContact CG1-CD1 4.28Å; V451-F473 HydrophobicContact CG1-CD2 3.81Å; V451-F473 HydrophobicContact CG1-CE1 4.11Å; V451-F473 HydrophobicContact CG1-CE2 3.6Å; V451-F473 HydrophobicContact CG1-CG 4.15Å; V451-F473 HydrophobicContact CG1-CZ 3.78Å |
| 452 | G | 75.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.7 | -50.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C448 K449 T450 L455 G456 Y470 | C448-G452 PolarHBondContact O-N 2.96Å; K449-G452 PolarHBondContact O-N 3.3Å; T450-G452 VanDerWaalsContact C-N 3.33Å; T450-G452 PolarHBondContact O-N 3.07Å; G452-L455 PolarHBondContact O-N 3.19Å; G452-G456 WeakPolarHBondContact O-CA 3.5Å; G452-G456 PolarHBondContact O-N 3.07Å; G452-Y470 VanDerWaalsContact O-CD2 3.26Å; G452-Y470 WeakPolarHBondContact O-CD2 3.46Å; G452-Y470 VanDerWaalsContact O-CE2 3.23Å; G452-Y470 WeakPolarHBondContact O-CE2 3.48Å |
| 453 | V | 69.3 | Low | 72.5 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 179.3 | 168.5 | 0 | 0 | 0 | 0 | 112.5 | K449 T450 V451 G456 S458 M459 N716 | K449-V453 WeakPolarHBondContact O-CB 3.46Å; K449-V453 VanDerWaalsContact O-CG2 3.26Å; K449-V453 WeakPolarHBondContact O-CG2 3.5Å; K449-V453 PolarHBondContact O-N 3.01Å; T450-V453 PolarHBondContact O-N 3.1Å; V451-V453 PolarHBondContact O-N 3.47Å; V453-G456 PolarHBondContact O-N 3.25Å; V453-S458 PolarHBondContact O-OG 2.79Å; V453-M459 HydrophobicContact CG1-CE 4.41Å; V453-N716 VanDerWaalsContact CG2-ND2 3.32Å; V453-N716 WeakPolarHBondContact CG2-ND2 3.39Å |
| 454 | V | 71.2 | Confident | 73.2 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | -179.7 | 167.2 | 0 | 0 | 0 | 0 | 111 | T450 V451 M459 L460 | T450-V454 HydrophobicContact CG2-CG2 4.22Å; T450-V454 WeakPolarHBondContact O-CB 3.27Å; T450-V454 VanDerWaalsContact O-CG2 3.27Å; T450-V454 WeakPolarHBondContact O-CG2 3.23Å; T450-V454 PolarHBondContact O-N 3.16Å; V451-V454 PolarHBondContact O-N 3.28Å; V454-M459 HydrophobicContact CG2-SD 4.3Å; V454-M459 WeakPolarHBondContact O-CB 3.49Å; V454-L460 HydrophobicContact CG1-CD1 3.7Å; V454-L460 HydrophobicContact CG1-CG 4.17Å; V454-L460 VanDerWaalsContact O-CB 3.23Å; V454-L460 WeakPolarHBondContact O-CB 3.24Å; V454-L460 VanDerWaalsContact O-CG 3.25Å; V454-L460 WeakPolarHBondContact O-CG 3.5Å; V454-L460 PolarHBondContact O-N 3.44Å |
| 455 | L | 75 | Confident | 73.2 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73 | -32.1 | 178.1 | -64.2 | 177.2 | 0 | 0 | 0 | 112.2 | V451 G452 V462 V463 | V451-L455 HydrophobicContact CG1-CD1 3.79Å; V451-L455 HydrophobicContact CG1-CG 4.32Å; V451-L455 WeakPolarHBondContact O-CB 3.35Å; V451-L455 VanDerWaalsContact O-CG 3.3Å; V451-L455 WeakPolarHBondContact O-CG 3.43Å; V451-L455 PolarHBondContact O-N 2.63Å; G452-L455 PolarHBondContact O-N 3.19Å; L455-V462 PolarHBondContact O-N 2.83Å; L455-V463 HydrophobicContact CB-CG1 4.48Å; L455-V463 HydrophobicContact CB-CG2 3.74Å; L455-V463 PolarHBondContact O-N 3.35Å |
| 456 | G | 74.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -68.5 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G452 V453 S458 M459 S461 V463 | G452-G456 WeakPolarHBondContact O-CA 3.5Å; G452-G456 PolarHBondContact O-N 3.07Å; V453-G456 PolarHBondContact O-N 3.25Å; G456-S458 PolarHBondContact O-N 3.25Å; G456-S458 VanDerWaalsContact O-N 3.11Å; G456-M459 PolarHBondContact O-N 3.23Å; G456-S461 WeakPolarHBondContact O-CA 3.31Å; G456-S461 PolarHBondContact O-N 3.03Å; G456-V463 WeakPolarHBondContact CA-O 3.46Å |
| 457 | P | 66.4 | Low | 74.1 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.5 | -173 | 24.1 | -33 | 0 | 0 | 0 | 113.6 | M459 S461 E465 | P457-M459 VanDerWaalsContact C-N 3.29Å; P457-M459 PolarHBondContact O-N 3.04Å; P457-S461 PolarHBondContact O-OG 3.44Å; P457-E465 HydrophobicContact CG-CG 3.83Å; P457-E465 WeakPolarHBondContact CG-OE1 3.43Å |
| 458 | S | 59.1 | Low | 75 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 46% | 0.462 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.7 | -178.5 | 74.4 | 0 | 0 | 0 | 0 | 115.3 | V453 G456 | V453-S458 PolarHBondContact O-OG 2.79Å; G456-S458 PolarHBondContact O-N 3.25Å; G456-S458 VanDerWaalsContact O-N 3.11Å |
| 459 | M | 61.1 | Low | 75.4 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | -87.9 | 179.6 | -70.3 | -139.5 | -167.6 | 0 | 0 | 112.8 | V453 V454 G456 P457 | V453-M459 HydrophobicContact CG1-CE 4.41Å; V454-M459 HydrophobicContact CG2-SD 4.3Å; V454-M459 WeakPolarHBondContact O-CB 3.49Å; G456-M459 PolarHBondContact O-N 3.23Å; P457-M459 VanDerWaalsContact C-N 3.29Å; P457-M459 PolarHBondContact O-N 3.04Å |
| 460 | L | 74.4 | Confident | 75.8 | Confident | 109 Ų | 109 | 62 Ų | 62 | 57% | 0.571 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -18 | -174.9 | -60.8 | 175.6 | 0 | 0 | 0 | 112.8 | V454 V462 | V454-L460 HydrophobicContact CG1-CD1 3.7Å; V454-L460 HydrophobicContact CG1-CG 4.17Å; V454-L460 VanDerWaalsContact O-CB 3.23Å; V454-L460 WeakPolarHBondContact O-CB 3.24Å; V454-L460 VanDerWaalsContact O-CG 3.25Å; V454-L460 WeakPolarHBondContact O-CG 3.5Å; V454-L460 PolarHBondContact O-N 3.44Å; L460-V462 HydrophobicContact CB-CG2 3.69Å; L460-V462 PolarHBondContact O-N 2.64Å; L460-V462 VanDerWaalsContact O-N 3.13Å |
| 461 | S | 76.9 | Confident | 76.7 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 54% | 0.538 | 36% | 0.363 | S | S | . | . | trans | 53.1 | 31.9 | -178.4 | -41.2 | 0 | 0 | 0 | 0 | 113.5 | G456 P457 | G456-S461 WeakPolarHBondContact O-CA 3.31Å; G456-S461 PolarHBondContact O-N 3.03Å; P457-S461 PolarHBondContact O-OG 3.44Å | ||
| 462 | V | 83.5 | Confident | 77.4 | Confident | 103 Ų | 103 | 67 Ų | 67 | 62% | 0.624 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -76.3 | -32.4 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | L455 L460 | L455-V462 PolarHBondContact O-N 2.83Å; L460-V462 HydrophobicContact CB-CG2 3.69Å; L460-V462 PolarHBondContact O-N 2.64Å; L460-V462 VanDerWaalsContact O-N 3.13Å |
| 463 | V | 82.3 | Confident | 77.9 | Confident | 27 Ų | 27 | 69.7 Ų | 69.7 | 16% | 0.164 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -127.5 | 151.8 | 177.9 | -51 | 0 | 0 | 0 | 0 | 110.1 | L455 G456 S467 I469 Y470 | L455-V463 HydrophobicContact CB-CG1 4.48Å; L455-V463 HydrophobicContact CB-CG2 3.74Å; L455-V463 PolarHBondContact O-N 3.35Å; G456-V463 WeakPolarHBondContact CA-O 3.46Å; V463-S467 WeakPolarHBondContact CB-OG 3.5Å; V463-I469 HydrophobicContact CB-CG2 4.16Å; V463-I469 HydrophobicContact CG1-CG2 3.76Å; V463-I469 HydrophobicContact CG2-CG2 4.28Å; V463-Y470 HydrophobicContact CG2-CD2 4.2Å |
| 464 | T | 81.7 | Confident | 78.3 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | trans | -89.9 | 160.7 | 173.7 | 66 | 0 | 0 | 0 | 0 | 110.2 | K466 S467 Y470 | T464-K466 PolarHBondContact O-N 3.19Å; T464-S467 VanDerWaalsContact O-CB 3.32Å; T464-S467 WeakPolarHBondContact O-CB 3.13Å; T464-S467 PolarHBondContact O-N 2.97Å; T464-S467 PolarHBondContact O-OG 3.16Å; T464-Y470 WeakPolarHBondContact O-CB 3.1Å | ||
| 465 | E | 77.3 | Confident | 79 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.1 | 176.5 | -71 | 162.9 | -179.6 | 0 | 0 | 112.8 | P457 S467 Y470 | P457-E465 HydrophobicContact CG-CG 3.83Å; P457-E465 WeakPolarHBondContact CG-OE1 3.43Å; E465-S467 VanDerWaalsContact C-N 3.32Å; E465-Y470 VanDerWaalsContact CA-CD1 3.46Å; E465-Y470 HydrophobicContact CB-CD1 4.13Å; E465-Y470 HydrophobicContact CB-CE1 3.92Å; E465-Y470 HydrophobicContact CG-CD1 4.29Å; E465-Y470 HydrophobicContact CG-CE1 3.71Å; E465-Y470 HydrophobicContact CG-CE2 4.34Å; E465-Y470 WeakPolarHBondContact O-CD1 3.22Å |
| 466 | K | 79.4 | Confident | 79.5 | Confident | 162 Ų | 162 | 75 Ų | 75 | 70% | 0.704 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.2 | 176.3 | -63.3 | -174.5 | -180 | 179.1 | 0 | 113.5 | T464 Q471 | T464-K466 PolarHBondContact O-N 3.19Å; K466-Q471 PolarHBondContact O-NE2 3.34Å; K466-Q471 VanDerWaalsContact O-NE2 3.11Å |
| 467 | S | 82.2 | Confident | 79.7 | Confident | 28 Ų | 28 | 75 Ų | 75 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -69.4 | 141.5 | -178.7 | 69.7 | 0 | 0 | 0 | 0 | 112 | V463 T464 E465 I469 Y470 Q471 | V463-S467 WeakPolarHBondContact CB-OG 3.5Å; T464-S467 VanDerWaalsContact O-CB 3.32Å; T464-S467 WeakPolarHBondContact O-CB 3.13Å; T464-S467 PolarHBondContact O-N 2.97Å; T464-S467 PolarHBondContact O-OG 3.16Å; E465-S467 VanDerWaalsContact C-N 3.32Å; S467-I469 PolarHBondContact O-N 3.15Å; S467-Y470 PolarHBondContact O-N 2.78Å; S467-Y470 VanDerWaalsContact OG-CB 3.22Å; S467-Y470 WeakPolarHBondContact OG-CB 3.4Å; S467-Y470 PolarHBondContact OG-N 3.35Å; S467-Q471 PolarHBondContact O-N 3.3Å |
| 468 | D | 90.9 | Very high | 80.4 | Confident | 137 Ų | 137 | 75.1 Ų | 75.1 | 73% | 0.733 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57 | -36.7 | -179.8 | -61.3 | -14.5 | 0 | 0 | 0 | 112.2 | Q471 L472 | D468-Q471 PolarHBondContact O-N 2.95Å; D468-L472 WeakPolarHBondContact O-CB 3.34Å; D468-L472 PolarHBondContact O-N 2.8Å |
| 469 | I | 88.7 | Confident | 81.7 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 36% | 0.359 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 179.1 | -167 | 60.6 | 0 | 0 | 0 | 112.2 | V463 S467 L472 F473 | V463-I469 HydrophobicContact CB-CG2 4.16Å; V463-I469 HydrophobicContact CG1-CG2 3.76Å; V463-I469 HydrophobicContact CG2-CG2 4.28Å; S467-I469 PolarHBondContact O-N 3.15Å; I469-L472 HydrophobicContact CD1-CD2 4.28Å; I469-F473 HydrophobicContact CD1-CD2 3.9Å; I469-F473 HydrophobicContact CD1-CE2 3.51Å; I469-F473 HydrophobicContact CD1-CZ 4.45Å; I469-F473 HydrophobicContact CG1-CD2 3.97Å; I469-F473 HydrophobicContact CG1-CE2 3.84Å; I469-F473 VanDerWaalsContact O-CD2 3.24Å; I469-F473 WeakPolarHBondContact O-CD2 3.47Å; I469-F473 PolarHBondContact O-N 3.34Å; I469-F473 VanDerWaalsContact O-N 3.16Å |
| 470 | Y | 80.4 | Confident | 82.7 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 175 | -177 | -87.4 | 0 | 0 | 0 | 110.6 | G452 V463 T464 E465 S467 L472 F473 T474 | G452-Y470 VanDerWaalsContact O-CD2 3.26Å; G452-Y470 WeakPolarHBondContact O-CD2 3.46Å; G452-Y470 VanDerWaalsContact O-CE2 3.23Å; G452-Y470 WeakPolarHBondContact O-CE2 3.48Å; V463-Y470 HydrophobicContact CG2-CD2 4.2Å; T464-Y470 WeakPolarHBondContact O-CB 3.1Å; E465-Y470 VanDerWaalsContact CA-CD1 3.46Å; E465-Y470 HydrophobicContact CB-CD1 4.13Å; E465-Y470 HydrophobicContact CB-CE1 3.92Å; E465-Y470 HydrophobicContact CG-CD1 4.29Å; E465-Y470 HydrophobicContact CG-CE1 3.71Å; E465-Y470 HydrophobicContact CG-CE2 4.34Å; E465-Y470 WeakPolarHBondContact O-CD1 3.22Å; S467-Y470 PolarHBondContact O-N 2.78Å; S467-Y470 VanDerWaalsContact OG-CB 3.22Å; S467-Y470 WeakPolarHBondContact OG-CB 3.4Å; S467-Y470 PolarHBondContact OG-N 3.35Å; Y470-L472 PolarHBondContact O-N 3.24Å; Y470-F473 PolarHBondContact O-N 3.3Å; Y470-T474 VanDerWaalsContact O-CB 3.32Å; Y470-T474 WeakPolarHBondContact O-CB 3.48Å; Y470-T474 PolarHBondContact O-N 3.49Å; Y470-T474 PolarHBondContact O-OG1 3.23Å |
| 471 | Q | 87 | Confident | 83 | Confident | 98 Ų | 98 | 67 Ų | 67 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 177.6 | -66.9 | -172.9 | 32.3 | 0 | 0 | 111.4 | K466 S467 D468 F473 T474 F475 | K466-Q471 PolarHBondContact O-NE2 3.34Å; K466-Q471 VanDerWaalsContact O-NE2 3.11Å; S467-Q471 PolarHBondContact O-N 3.3Å; D468-Q471 PolarHBondContact O-N 2.95Å; Q471-F473 PolarHBondContact O-N 3.3Å; Q471-T474 WeakPolarHBondContact O-CB 3.25Å; Q471-T474 PolarHBondContact O-N 3.41Å; Q471-T474 VanDerWaalsContact O-N 3.16Å; Q471-F475 WeakPolarHBondContact O-CD1 3.48Å; Q471-F475 PolarHBondContact O-N 3.49Å |
| 472 | L | 89.7 | Confident | 83.6 | Confident | 76 Ų | 76 | 67 Ų | 67 | 40% | 0.398 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -53.9 | -56.5 | 176.9 | 177.2 | 63.4 | 0 | 0 | 0 | 111.8 | D468 I469 Y470 T474 F475 V476 | D468-L472 WeakPolarHBondContact O-CB 3.34Å; D468-L472 PolarHBondContact O-N 2.8Å; I469-L472 HydrophobicContact CD1-CD2 4.28Å; Y470-L472 PolarHBondContact O-N 3.24Å; L472-T474 PolarHBondContact O-N 3.05Å; L472-F475 VanDerWaalsContact CA-CE1 3.45Å; L472-F475 HydrophobicContact CB-CE1 4.31Å; L472-F475 HydrophobicContact CD1-CE1 3.99Å; L472-F475 HydrophobicContact CD1-CE2 4.22Å; L472-F475 HydrophobicContact CD1-CZ 3.5Å; L472-V476 HydrophobicContact CD1-CG2 3.88Å; L472-V476 VanDerWaalsContact O-CB 3.29Å; L472-V476 WeakPolarHBondContact O-CB 3.43Å; L472-V476 WeakPolarHBondContact O-CG2 3.25Å; L472-V476 PolarHBondContact O-N 3.46Å |
| 473 | F | 85.2 | Confident | 84.1 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 25% | 0.25 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -32 | 179.8 | -83.4 | -58.8 | 0 | 0 | 0 | 112.8 | C448 V451 I469 Y470 Q471 G477 | C448-F473 CarbonylContact C-O 3.05Å; C448-F473 HydrophobicContact CB-CD1 3.99Å; C448-F473 WeakPolarHBondContact CB-O 3.37Å; C448-F473 WeakPolarHBondContact O-CB 3.5Å; V451-F473 HydrophobicContact CB-CD1 4.29Å; V451-F473 HydrophobicContact CB-CE1 4.37Å; V451-F473 HydrophobicContact CB-CG 4.38Å; V451-F473 HydrophobicContact CG1-CD1 4.28Å; V451-F473 HydrophobicContact CG1-CD2 3.81Å; V451-F473 HydrophobicContact CG1-CE1 4.11Å; V451-F473 HydrophobicContact CG1-CE2 3.6Å; V451-F473 HydrophobicContact CG1-CG 4.15Å; V451-F473 HydrophobicContact CG1-CZ 3.78Å; I469-F473 HydrophobicContact CD1-CD2 3.9Å; I469-F473 HydrophobicContact CD1-CE2 3.51Å; I469-F473 HydrophobicContact CD1-CZ 4.45Å; I469-F473 HydrophobicContact CG1-CD2 3.97Å; I469-F473 HydrophobicContact CG1-CE2 3.84Å; I469-F473 VanDerWaalsContact O-CD2 3.24Å; I469-F473 WeakPolarHBondContact O-CD2 3.47Å; I469-F473 PolarHBondContact O-N 3.34Å; I469-F473 VanDerWaalsContact O-N 3.16Å; Y470-F473 PolarHBondContact O-N 3.3Å; Q471-F473 PolarHBondContact O-N 3.3Å; F473-G477 PolarHBondContact O-N 2.89Å; F473-G477 VanDerWaalsContact O-N 3.14Å |
| 474 | T | 78.2 | Confident | 84.5 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -58.7 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | Y470 Q471 L472 V476 G477 D478 | Y470-T474 VanDerWaalsContact O-CB 3.32Å; Y470-T474 WeakPolarHBondContact O-CB 3.48Å; Y470-T474 PolarHBondContact O-N 3.49Å; Y470-T474 PolarHBondContact O-OG1 3.23Å; Q471-T474 WeakPolarHBondContact O-CB 3.25Å; Q471-T474 PolarHBondContact O-N 3.41Å; Q471-T474 VanDerWaalsContact O-N 3.16Å; L472-T474 PolarHBondContact O-N 3.05Å; T474-V476 PolarHBondContact O-N 2.9Å; T474-G477 CarbonylContact O-C 3.59Å; T474-G477 WeakPolarHBondContact O-CA 3.37Å; T474-G477 PolarHBondContact O-N 3.43Å; T474-G477 VanDerWaalsContact O-N 3.12Å; T474-D478 PolarHBondContact O-N 2.83Å |
| 475 | F | 86.4 | Confident | 85.1 | Confident | 123 Ų | 123 | 61.4 Ų | 61.4 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.7 | -32 | -174.8 | 78.3 | -113.2 | 0 | 0 | 0 | 112.9 | Q471 L472 G477 D478 A479 | Q471-F475 WeakPolarHBondContact O-CD1 3.48Å; Q471-F475 PolarHBondContact O-N 3.49Å; L472-F475 VanDerWaalsContact CA-CE1 3.45Å; L472-F475 HydrophobicContact CB-CE1 4.31Å; L472-F475 HydrophobicContact CD1-CE1 3.99Å; L472-F475 HydrophobicContact CD1-CE2 4.22Å; L472-F475 HydrophobicContact CD1-CZ 3.5Å; F475-G477 VanDerWaalsContact C-N 3.28Å; F475-D478 PolarHBondContact O-N 3.23Å; F475-A479 WeakPolarHBondContact O-CB 3.45Å; F475-A479 PolarHBondContact O-N 3.46Å |
| 476 | V | 85.6 | Confident | 86.1 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 172.1 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | C448 L472 T474 | C448-V476 HydrophobicContact CB-CG1 4.4Å; L472-V476 HydrophobicContact CD1-CG2 3.88Å; L472-V476 VanDerWaalsContact O-CB 3.29Å; L472-V476 WeakPolarHBondContact O-CB 3.43Å; L472-V476 WeakPolarHBondContact O-CG2 3.25Å; L472-V476 PolarHBondContact O-N 3.46Å; T474-V476 PolarHBondContact O-N 2.9Å |
| 477 | G | 77.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | A445 K449 F473 T474 F475 G480 F481 | A445-G477 WeakPolarHBondContact CB-O 3.23Å; A445-G477 WeakPolarHBondContact O-CA 3.17Å; K449-G477 VanDerWaalsContact CE-CA 3.43Å; K449-G477 WeakPolarHBondContact CE-O 3.5Å; K449-G477 PolarHBondContact NZ-O 3.32Å; F473-G477 PolarHBondContact O-N 2.89Å; F473-G477 VanDerWaalsContact O-N 3.14Å; T474-G477 CarbonylContact O-C 3.59Å; T474-G477 WeakPolarHBondContact O-CA 3.37Å; T474-G477 PolarHBondContact O-N 3.43Å; T474-G477 VanDerWaalsContact O-N 3.12Å; F475-G477 VanDerWaalsContact C-N 3.28Å; G477-G480 PolarHBondContact O-N 2.87Å; G477-F481 VanDerWaalsContact O-CD2 3.23Å; G477-F481 WeakPolarHBondContact O-CD2 3.48Å |
| 478 | D | 80.8 | Confident | 87.6 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | -178.6 | -72.7 | -39.7 | 0 | 0 | 0 | 112.5 | K449 T474 F475 G480 F481 Y482 N719 | K449-D478 VanDerWaalsContact CE-N 3.26Å; K449-D478 WeakPolarHBondContact CE-OD1 3.34Å; K449-D478 IonicContact NZ-OD1 2.56Å; K449-D478 PolarHBondContact NZ-OD1 3.47Å; T474-D478 PolarHBondContact O-N 2.83Å; F475-D478 PolarHBondContact O-N 3.23Å; D478-G480 PolarHBondContact O-N 2.88Å; D478-F481 PolarHBondContact O-N 3.3Å; D478-Y482 VanDerWaalsContact O-CB 3.3Å; D478-Y482 WeakPolarHBondContact O-CB 3.41Å; D478-Y482 PolarHBondContact O-N 3.14Å; D478-N719 PolarHBondContact OD1-ND2 3.02Å |
| 479 | A | 88 | Confident | 87.9 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -53.5 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F475 F481 Y482 F483 | F475-A479 WeakPolarHBondContact O-CB 3.45Å; F475-A479 PolarHBondContact O-N 3.46Å; A479-F481 PolarHBondContact O-N 2.86Å; A479-Y482 PolarHBondContact O-N 3.38Å; A479-F483 HydrophobicContact CB-CD2 4.34Å; A479-F483 HydrophobicContact CB-CE2 4.38Å; A479-F483 VanDerWaalsContact O-CD2 3.31Å; A479-F483 WeakPolarHBondContact O-CD2 3.48Å; A479-F483 PolarHBondContact O-N 3.03Å |
| 480 | G | 80.4 | Confident | 88.3 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -25.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G477 D478 | G477-G480 PolarHBondContact O-N 2.87Å; D478-G480 PolarHBondContact O-N 2.88Å |
| 481 | F | 82.3 | Confident | 89 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -95 | -42.4 | 174.4 | -64.4 | -81.9 | 0 | 0 | 0 | 112 | L442 A445 K449 G477 D478 A479 F483 L484 S539 | L442-F481 HydrophobicContact CD2-CD1 3.97Å; L442-F481 HydrophobicContact CD2-CE1 3.76Å; A445-F481 HydrophobicContact CB-CD2 4.02Å; A445-F481 HydrophobicContact CB-CE2 3.64Å; A445-F481 HydrophobicContact CB-CZ 4.23Å; K449-F481 HydrophobicContact CD-CE2 4.29Å; G477-F481 VanDerWaalsContact O-CD2 3.23Å; G477-F481 WeakPolarHBondContact O-CD2 3.48Å; D478-F481 PolarHBondContact O-N 3.3Å; A479-F481 PolarHBondContact O-N 2.86Å; F481-F483 VanDerWaalsContact C-N 3.31Å; F481-F483 PolarHBondContact O-N 3.11Å; F481-L484 HydrophobicContact CD1-CD1 4.28Å; F481-L484 WeakPolarHBondContact O-CB 3.28Å; F481-L484 WeakPolarHBondContact O-CG 3.44Å; F481-L484 PolarHBondContact O-N 2.96Å; F481-S539 VanDerWaalsContact O-CA 3.22Å; F481-S539 WeakPolarHBondContact O-CA 3.05Å; F481-S539 PolarHBondContact O-OG 3.36Å |
| 482 | Y | 87.8 | Confident | 89.4 | Confident | 76 Ų | 76 | 39.2 Ų | 39.2 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -54 | -46.8 | -177.9 | -179 | -92.7 | 0 | 0 | 0 | 112 | D478 A479 L484 L511 M516 S539 | D478-Y482 VanDerWaalsContact O-CB 3.3Å; D478-Y482 WeakPolarHBondContact O-CB 3.41Å; D478-Y482 PolarHBondContact O-N 3.14Å; A479-Y482 PolarHBondContact O-N 3.38Å; Y482-L484 PolarHBondContact O-N 3.26Å; Y482-L511 HydrophobicContact CD1-CD1 4.43Å; Y482-L511 HydrophobicContact CE1-CD1 4.41Å; Y482-L511 WeakPolarHBondContact O-CD1 3.14Å; Y482-M516 HydrophobicContact CE2-CE 4.42Å; Y482-M516 HydrophobicContact CE2-SD 4.41Å; Y482-M516 WeakPolarHBondContact OH-CE 3.2Å; Y482-S539 PolarHBondContact O-N 3.24Å |
| 483 | F | 95.1 | Very high | 89.8 | Confident | 91 Ų | 91 | 35.6 Ų | 35.6 | 40% | 0.399 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 12.1 | -179.7 | -66.8 | -66.4 | 0 | 0 | 0 | 114.6 | A479 F481 V486 F487 L511 | A479-F483 HydrophobicContact CB-CD2 4.34Å; A479-F483 HydrophobicContact CB-CE2 4.38Å; A479-F483 VanDerWaalsContact O-CD2 3.31Å; A479-F483 WeakPolarHBondContact O-CD2 3.48Å; A479-F483 PolarHBondContact O-N 3.03Å; F481-F483 VanDerWaalsContact C-N 3.31Å; F481-F483 PolarHBondContact O-N 3.11Å; F483-V486 HydrophobicContact CD1-CG2 4.4Å; F483-V486 WeakPolarHBondContact O-CA 3.32Å; F483-V486 WeakPolarHBondContact O-CB 3.14Å; F483-V486 PolarHBondContact O-N 3.27Å; F483-F487 HydrophobicContact CB-CD2 4.26Å; F483-F487 HydrophobicContact CB-CE1 4.16Å; F483-F487 HydrophobicContact CB-CE2 3.64Å; F483-F487 HydrophobicContact CB-CZ 3.58Å; F483-F487 WeakPolarHBondContact O-CD2 3.45Å; F483-F487 WeakPolarHBondContact O-CG 3.45Å; F483-F487 PolarHBondContact O-N 3.44Å; F483-L511 HydrophobicContact CD1-CD1 3.86Å |
| 484 | L | 90.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.063 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -51.3 | -44.1 | 178.4 | -87.3 | 174.8 | 0 | 0 | 0 | 114.4 | L438 L442 F481 Y482 V486 F487 I488 V541 | L438-L484 HydrophobicContact CD1-CD2 4.12Å; L442-L484 HydrophobicContact CD2-CD1 4.45Å; L442-L484 HydrophobicContact CD2-CD2 4.04Å; F481-L484 HydrophobicContact CD1-CD1 4.28Å; F481-L484 WeakPolarHBondContact O-CB 3.28Å; F481-L484 WeakPolarHBondContact O-CG 3.44Å; F481-L484 PolarHBondContact O-N 2.96Å; Y482-L484 PolarHBondContact O-N 3.26Å; L484-V486 PolarHBondContact O-N 3.26Å; L484-F487 HydrophobicContact CD2-CD2 4.48Å; L484-F487 PolarHBondContact O-N 3.11Å; L484-I488 HydrophobicContact CB-CD1 4.37Å; L484-I488 WeakPolarHBondContact O-CB 3.35Å; L484-I488 WeakPolarHBondContact O-CD1 3.4Å; L484-I488 VanDerWaalsContact O-CG1 3.25Å; L484-I488 WeakPolarHBondContact O-CG1 3.14Å; L484-I488 PolarHBondContact O-N 3.28Å; L484-V541 HydrophobicContact CD1-CG2 4.44Å |
| 485 | P | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.7 | -38.2 | 173.5 | -30 | 36.5 | 0 | 0 | 0 | 113.6 | G489 L511 Y537 M544 | P485-G489 PolarHBondContact O-N 2.61Å; P485-L511 HydrophobicContact CB-CD1 4.37Å; P485-L511 HydrophobicContact CB-CG 4.36Å; P485-L511 HydrophobicContact CG-CD1 4.3Å; P485-L511 HydrophobicContact CG-CD2 4.05Å; P485-L511 HydrophobicContact CG-CG 4.25Å; P485-Y537 VanDerWaalsContact CG-O 3.28Å; P485-Y537 WeakPolarHBondContact CG-O 3.39Å; P485-M544 VanDerWaalsContact O-CG 3.25Å; P485-M544 WeakPolarHBondContact O-CG 2.97Å |
| 486 | V | 97.9 | Very high | 91.2 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 13% | 0.127 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.6 | -46.5 | 177.5 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | F483 L484 I488 G489 W490 M504 A508 L511 | F483-V486 HydrophobicContact CD1-CG2 4.4Å; F483-V486 WeakPolarHBondContact O-CA 3.32Å; F483-V486 WeakPolarHBondContact O-CB 3.14Å; F483-V486 PolarHBondContact O-N 3.27Å; L484-V486 PolarHBondContact O-N 3.26Å; V486-I488 VanDerWaalsContact C-N 3.31Å; V486-I488 PolarHBondContact O-N 3.47Å; V486-G489 WeakPolarHBondContact O-CA 3.37Å; V486-G489 PolarHBondContact O-N 3.36Å; V486-G489 VanDerWaalsContact O-N 3.15Å; V486-W490 PolarHBondContact O-N 3.31Å; V486-M504 HydrophobicContact CG1-CB 4.21Å; V486-M504 HydrophobicContact CG1-CE 4Å; V486-M504 HydrophobicContact CG1-CG 4.42Å; V486-A508 HydrophobicContact CG2-CB 4.23Å; V486-L511 HydrophobicContact CG2-CD1 3.97Å |
| 487 | F | 96.4 | Very high | 91.5 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 179.5 | -56.5 | -36 | 0 | 0 | 0 | 112.6 | L438 I441 F483 L484 W490 S491 | L438-F487 HydrophobicContact CD1-CB 4.04Å; L438-F487 HydrophobicContact CD2-CB 3.69Å; L438-F487 HydrophobicContact CG-CB 4.5Å; I441-F487 HydrophobicContact CD1-CD1 4.13Å; I441-F487 HydrophobicContact CD1-CD2 4.17Å; I441-F487 HydrophobicContact CD1-CE1 4.27Å; I441-F487 HydrophobicContact CD1-CE2 4.31Å; I441-F487 HydrophobicContact CD1-CG 4.09Å; I441-F487 HydrophobicContact CD1-CZ 4.36Å; I441-F487 HydrophobicContact CG2-CD2 4.11Å; I441-F487 HydrophobicContact CG2-CE2 3.77Å; I441-F487 HydrophobicContact CG2-CZ 4.4Å; F483-F487 HydrophobicContact CB-CD2 4.26Å; F483-F487 HydrophobicContact CB-CE1 4.16Å; F483-F487 HydrophobicContact CB-CE2 3.64Å; F483-F487 HydrophobicContact CB-CZ 3.58Å; F483-F487 WeakPolarHBondContact O-CD2 3.45Å; F483-F487 WeakPolarHBondContact O-CG 3.45Å; F483-F487 PolarHBondContact O-N 3.44Å; L484-F487 HydrophobicContact CD2-CD2 4.48Å; L484-F487 PolarHBondContact O-N 3.11Å; F487-W490 WeakPolarHBondContact O-CB 3.23Å; F487-W490 PolarHBondContact O-N 2.99Å; F487-S491 WeakPolarHBondContact O-CB 3.26Å; F487-S491 PolarHBondContact O-N 3.16Å; F487-S491 PolarHBondContact O-OG 2.85Å |
| 488 | I | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.9 | -41.6 | 172.9 | -67.1 | 163.5 | 0 | 0 | 0 | 110.1 | L438 L484 V486 W490 S491 A492 V541 M544 I545 | L438-I488 HydrophobicContact CD1-CG1 3.63Å; L484-I488 HydrophobicContact CB-CD1 4.37Å; L484-I488 WeakPolarHBondContact O-CB 3.35Å; L484-I488 WeakPolarHBondContact O-CD1 3.4Å; L484-I488 VanDerWaalsContact O-CG1 3.25Å; L484-I488 WeakPolarHBondContact O-CG1 3.14Å; L484-I488 PolarHBondContact O-N 3.28Å; V486-I488 VanDerWaalsContact C-N 3.31Å; V486-I488 PolarHBondContact O-N 3.47Å; I488-W490 PolarHBondContact O-N 3.31Å; I488-S491 WeakPolarHBondContact CA-OG 3.42Å; I488-S491 PolarHBondContact O-N 3.28Å; I488-S491 PolarHBondContact O-OG 3.28Å; I488-A492 HydrophobicContact CG2-CB 4.1Å; I488-A492 WeakPolarHBondContact O-CB 3.27Å; I488-A492 PolarHBondContact O-N 2.81Å; I488-V541 HydrophobicContact CD1-CB 3.78Å; I488-V541 HydrophobicContact CD1-CG1 3.64Å; I488-V541 HydrophobicContact CD1-CG2 3.76Å; I488-M544 HydrophobicContact CB-CB 4.13Å; I488-M544 HydrophobicContact CB-CG 3.92Å; I488-M544 HydrophobicContact CG2-CB 3.75Å; I488-M544 HydrophobicContact CG2-CG 3.68Å; I488-I545 HydrophobicContact CG2-CD1 3.7Å; I488-I545 HydrophobicContact CG2-CG1 3.98Å |
| 489 | G | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -50.8 | -41.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P485 V486 S493 G503 | P485-G489 PolarHBondContact O-N 2.61Å; V486-G489 WeakPolarHBondContact O-CA 3.37Å; V486-G489 PolarHBondContact O-N 3.36Å; V486-G489 VanDerWaalsContact O-N 3.15Å; G489-S493 WeakPolarHBondContact O-CB 3.3Å; G489-S493 PolarHBondContact O-N 3.45Å; G489-S493 PolarHBondContact O-OG 3.22Å; G489-G503 WeakPolarHBondContact CA-O 3.31Å |
| 490 | W | 97.6 | Very high | 93.4 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 31% | 0.311 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.3 | -60 | 172.8 | 168.1 | 73.5 | 0 | 0 | 0 | 113.4 | P437 L438 V486 F487 I488 S493 R494 I500 M504 | P437-W490 HydrophobicContact CB-CH2 4.18Å; P437-W490 HydrophobicContact CB-CZ3 3.9Å; L438-W490 HydrophobicContact CD2-CE3 3.99Å; L438-W490 HydrophobicContact CD2-CZ3 3.97Å; V486-W490 PolarHBondContact O-N 3.31Å; F487-W490 WeakPolarHBondContact O-CB 3.23Å; F487-W490 PolarHBondContact O-N 2.99Å; I488-W490 PolarHBondContact O-N 3.31Å; W490-S493 PolarHBondContact O-N 2.91Å; W490-R494 PolarHBondContact O-N 3.22Å; W490-I500 HydrophobicContact CG-CG2 4.43Å; W490-M504 HydrophobicContact CB-CG 3.79Å; W490-M504 HydrophobicContact CB-SD 3.99Å |
| 491 | S | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.5 | -40.2 | -169.9 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | S434 F487 I488 R494 K495 | S434-S491 WeakPolarHBondContact O-CB 3.29Å; S434-S491 PolarHBondContact O-OG 2.93Å; F487-S491 WeakPolarHBondContact O-CB 3.26Å; F487-S491 PolarHBondContact O-N 3.16Å; F487-S491 PolarHBondContact O-OG 2.85Å; I488-S491 WeakPolarHBondContact CA-OG 3.42Å; I488-S491 PolarHBondContact O-N 3.28Å; I488-S491 PolarHBondContact O-OG 3.28Å; S491-R494 PolarHBondContact O-N 2.93Å; S491-K495 PolarHBondContact O-N 3.39Å |
| 492 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.7 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y430 I488 R494 K495 L496 I545 I548 | Y430-A492 HydrophobicContact CE2-CB 4.1Å; I488-A492 HydrophobicContact CG2-CB 4.1Å; I488-A492 WeakPolarHBondContact O-CB 3.27Å; I488-A492 PolarHBondContact O-N 2.81Å; A492-R494 VanDerWaalsContact C-N 3.28Å; A492-R494 PolarHBondContact O-N 2.89Å; A492-K495 PolarHBondContact O-N 3.02Å; A492-K495 VanDerWaalsContact O-N 3.12Å; A492-L496 PolarHBondContact O-N 2.91Å; A492-I545 HydrophobicContact CB-CD1 4.37Å; A492-I548 HydrophobicContact CB-CB 4.05Å; A492-I548 HydrophobicContact CB-CG1 4.01Å; A492-I548 HydrophobicContact CB-CG2 3.99Å |
| 493 | S | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.7 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | G489 W490 K495 L496 K497 T498 I548 | G489-S493 WeakPolarHBondContact O-CB 3.3Å; G489-S493 PolarHBondContact O-N 3.45Å; G489-S493 PolarHBondContact O-OG 3.22Å; W490-S493 PolarHBondContact O-N 2.91Å; S493-K495 PolarHBondContact O-N 3.15Å; S493-L496 CarbonylContact O-C 3.59Å; S493-L496 PolarHBondContact O-N 3.42Å; S493-K497 WeakPolarHBondContact O-CA 3.4Å; S493-K497 PolarHBondContact O-N 2.8Å; S493-T498 VanDerWaalsContact CA-OG1 3.23Å; S493-T498 WeakPolarHBondContact CA-OG1 3.3Å; S493-T498 VanDerWaalsContact CB-OG1 3.27Å; S493-T498 WeakPolarHBondContact CB-OG1 3.3Å; S493-T498 PolarHBondContact O-N 3.04Å; S493-T498 PolarHBondContact OG-OG1 3.06Å; S493-I548 WeakPolarHBondContact OG-CD1 3.41Å |
| 494 | R | 93 | Very high | 95.3 | Very high | 121 Ų | 121 | 42.4 Ų | 42.4 | 46% | 0.457 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 173.1 | -166.9 | 177.1 | 69.8 | 178.3 | 5.9 | 112 | P437 W490 S491 A492 K497 I500 | P437-R494 VanDerWaalsContact CB-NH2 3.29Å; W490-R494 PolarHBondContact O-N 3.22Å; S491-R494 PolarHBondContact O-N 2.93Å; A492-R494 VanDerWaalsContact C-N 3.28Å; A492-R494 PolarHBondContact O-N 2.89Å; R494-K497 PolarHBondContact O-N 2.95Å; R494-I500 HydrophobicContact CB-CD1 4.19Å; R494-I500 HydrophobicContact CG-CD1 4.44Å |
| 495 | K | 93 | Very high | 95.7 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65 | -37.2 | 177.7 | -179.1 | 60.8 | 178.4 | -174.9 | 0 | 112.6 | D429 Y430 S491 A492 S493 | D429-K495 WeakPolarHBondContact O-CE 3.36Å; D429-K495 IonicContact OD1-NZ 3.76Å; D429-K495 PolarHBondContact OD1-NZ 2.98Å; D429-K495 VanDerWaalsContact OD2-CE 3.25Å; D429-K495 WeakPolarHBondContact OD2-CE 3.32Å; D429-K495 IonicContact OD2-NZ 3.41Å; D429-K495 PolarHBondContact OD2-NZ 3.03Å; Y430-K495 HydrophobicContact CD2-CB 4.42Å; Y430-K495 HydrophobicContact CD2-CG 3.8Å; Y430-K495 HydrophobicContact CE2-CG 4.42Å; S491-K495 PolarHBondContact O-N 3.39Å; A492-K495 PolarHBondContact O-N 3.02Å; A492-K495 VanDerWaalsContact O-N 3.12Å; S493-K495 PolarHBondContact O-N 3.15Å |
| 496 | L | 93.7 | Very high | 95.8 | Very high | 63 Ų | 63 | 45.4 Ų | 45.4 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -95.9 | 2.1 | 180 | -71 | 179.5 | 0 | 0 | 0 | 114.5 | Y430 A492 S493 T498 I548 V549 | Y430-L496 HydrophobicContact CD2-CD1 4.05Å; Y430-L496 HydrophobicContact CD2-CD2 4.06Å; Y430-L496 HydrophobicContact CD2-CG 3.84Å; Y430-L496 HydrophobicContact CE2-CD1 3.41Å; Y430-L496 VanDerWaalsContact CE2-CD1 3.41Å; Y430-L496 HydrophobicContact CE2-CD2 4.22Å; Y430-L496 HydrophobicContact CE2-CG 3.52Å; A492-L496 PolarHBondContact O-N 2.91Å; S493-L496 CarbonylContact O-C 3.59Å; S493-L496 PolarHBondContact O-N 3.42Å; L496-T498 VanDerWaalsContact C-N 3.3Å; L496-T498 HydrophobicContact CB-CG2 4.27Å; L496-T498 PolarHBondContact O-N 3.07Å; L496-I548 HydrophobicContact CD1-CG2 4.09Å; L496-V549 HydrophobicContact CD1-CG2 4.02Å |
| 497 | K | 92 | Very high | 95.7 | Very high | 180 Ų | 180 | 44.4 Ų | 44.4 | 78% | 0.783 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 41.8 | -178.7 | -54.3 | -174.8 | 178.8 | -172.7 | 0 | 113 | S493 R494 | S493-K497 WeakPolarHBondContact O-CA 3.4Å; S493-K497 PolarHBondContact O-N 2.8Å; R494-K497 PolarHBondContact O-N 2.95Å |
| 498 | T | 93.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | trans | -100.9 | 173.2 | 173.2 | 58 | 0 | 0 | 0 | 0 | 111 | S493 L496 I500 S552 E555 | S493-T498 VanDerWaalsContact CA-OG1 3.23Å; S493-T498 WeakPolarHBondContact CA-OG1 3.3Å; S493-T498 VanDerWaalsContact CB-OG1 3.27Å; S493-T498 WeakPolarHBondContact CB-OG1 3.3Å; S493-T498 PolarHBondContact O-N 3.04Å; S493-T498 PolarHBondContact OG-OG1 3.06Å; L496-T498 VanDerWaalsContact C-N 3.3Å; L496-T498 HydrophobicContact CB-CG2 4.27Å; L496-T498 PolarHBondContact O-N 3.07Å; T498-I500 PolarHBondContact O-N 2.81Å; T498-S552 VanDerWaalsContact CG2-CA 3.49Å; T498-E555 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 499 | S | 93.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | trans | -62 | 107 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | I502 G503 M551 E555 | S499-I502 PolarHBondContact O-N 2.84Å; S499-I502 WeakPolarHBondContact OG-CG1 3.46Å; S499-G503 PolarHBondContact O-N 2.68Å; S499-M551 WeakPolarHBondContact O-CE 3.24Å; S499-E555 WeakPolarHBondContact CB-OE2 3.41Å; S499-E555 PolarHBondContact N-OE2 2.91Å | ||
| 500 | I | 96.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 46.2 Ų | 46.2 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.3 | -49.2 | 179.4 | -70.3 | 172 | 0 | 0 | 0 | 112.2 | W490 R494 T498 I502 G503 M504 | W490-I500 HydrophobicContact CG-CG2 4.43Å; R494-I500 HydrophobicContact CB-CD1 4.19Å; R494-I500 HydrophobicContact CG-CD1 4.44Å; T498-I500 PolarHBondContact O-N 2.81Å; I500-I502 VanDerWaalsContact C-N 3.29Å; I500-I502 PolarHBondContact O-N 3.36Å; I500-G503 PolarHBondContact O-N 3.28Å; I500-M504 HydrophobicContact CG2-CG 4.45Å; I500-M504 HydrophobicContact CG2-SD 3.98Å; I500-M504 WeakPolarHBondContact O-CG 3.28Å; I500-M504 PolarHBondContact O-N 2.99Å |
| 501 | P | 94.9 | Very high | 95.3 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.1 | -38.3 | -179.6 | -25.2 | 35.3 | 0 | 0 | 0 | 113 | M504 L505 | P501-M504 PolarHBondContact O-N 3.23Å; P501-L505 WeakPolarHBondContact O-CB 3.33Å; P501-L505 PolarHBondContact O-N 2.87Å |
| 502 | I | 96.4 | Very high | 95.3 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.6 | -38.2 | 178.5 | -61.4 | -61.4 | 0 | 0 | 0 | 111.1 | S499 I500 L505 L506 M551 P572 T575 | S499-I502 PolarHBondContact O-N 2.84Å; S499-I502 WeakPolarHBondContact OG-CG1 3.46Å; I500-I502 VanDerWaalsContact C-N 3.29Å; I500-I502 PolarHBondContact O-N 3.36Å; I502-L505 HydrophobicContact CD1-CD2 4.48Å; I502-L505 PolarHBondContact O-N 2.73Å; I502-L506 HydrophobicContact CG2-CD1 4.46Å; I502-L506 WeakPolarHBondContact O-CG 3.21Å; I502-L506 PolarHBondContact O-N 2.87Å; I502-M551 HydrophobicContact CB-CE 3.62Å; I502-M551 HydrophobicContact CG2-CE 3.54Å; I502-M551 HydrophobicContact CG2-SD 4.12Å; I502-P572 HydrophobicContact CD1-CB 4.06Å; I502-P572 HydrophobicContact CG1-CB 4.31Å; I502-T575 HydrophobicContact CG2-CG2 4.41Å |
| 503 | G | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G489 S499 I500 L506 G507 M544 | G489-G503 WeakPolarHBondContact CA-O 3.31Å; S499-G503 PolarHBondContact O-N 2.68Å; I500-G503 PolarHBondContact O-N 3.28Å; G503-L506 PolarHBondContact O-N 2.87Å; G503-G507 PolarHBondContact O-N 2.93Å; G503-M544 WeakPolarHBondContact O-CE 3.38Å |
| 504 | M | 98.1 | Very high | 94.4 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.3 | -69.4 | 177.5 | 69.6 | 0 | 0 | 111.9 | V486 W490 I500 P501 L506 G507 A508 | V486-M504 HydrophobicContact CG1-CB 4.21Å; V486-M504 HydrophobicContact CG1-CE 4Å; V486-M504 HydrophobicContact CG1-CG 4.42Å; W490-M504 HydrophobicContact CB-CG 3.79Å; W490-M504 HydrophobicContact CB-SD 3.99Å; I500-M504 HydrophobicContact CG2-CG 4.45Å; I500-M504 HydrophobicContact CG2-SD 3.98Å; I500-M504 WeakPolarHBondContact O-CG 3.28Å; I500-M504 PolarHBondContact O-N 2.99Å; P501-M504 PolarHBondContact O-N 3.23Å; M504-L506 PolarHBondContact O-N 2.89Å; M504-G507 PolarHBondContact O-N 2.9Å; M504-A508 PolarHBondContact O-N 2.78Å |
| 505 | L | 97.8 | Very high | 94 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 177.5 | 178.2 | 61 | 0 | 0 | 0 | 111.9 | P501 I502 G507 A508 V509 L576 | P501-L505 WeakPolarHBondContact O-CB 3.33Å; P501-L505 PolarHBondContact O-N 2.87Å; I502-L505 HydrophobicContact CD1-CD2 4.48Å; I502-L505 PolarHBondContact O-N 2.73Å; L505-G507 VanDerWaalsContact C-N 3.29Å; L505-G507 PolarHBondContact O-N 3.4Å; L505-A508 WeakPolarHBondContact O-CB 3.42Å; L505-A508 PolarHBondContact O-N 3.11Å; L505-A508 VanDerWaalsContact O-N 3.11Å; L505-V509 HydrophobicContact CD1-CG2 4.42Å; L505-V509 WeakPolarHBondContact O-CG2 3.5Å; L505-V509 PolarHBondContact O-N 3.27Å; L505-L576 HydrophobicContact CD2-CD1 4.1Å; L505-L576 HydrophobicContact CD2-CD2 3.82Å |
| 506 | L | 97.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 175.3 | -72.7 | 169.9 | 0 | 0 | 0 | 111.9 | I502 G503 M504 V509 L510 M544 T547 M551 L576 M579 | I502-L506 HydrophobicContact CG2-CD1 4.46Å; I502-L506 WeakPolarHBondContact O-CG 3.21Å; I502-L506 PolarHBondContact O-N 2.87Å; G503-L506 PolarHBondContact O-N 2.87Å; M504-L506 PolarHBondContact O-N 2.89Å; L506-V509 PolarHBondContact O-N 2.71Å; L506-L510 PolarHBondContact O-N 3.38Å; L506-M544 HydrophobicContact CB-CE 3.86Å; L506-T547 HydrophobicContact CB-CG2 4.35Å; L506-T547 HydrophobicContact CD1-CG2 3.84Å; L506-M551 HydrophobicContact CD1-SD 3.97Å; L506-L576 HydrophobicContact CD2-CD1 3.84Å; L506-L576 HydrophobicContact CG-CD1 4.34Å; L506-M579 HydrophobicContact CD1-CB 3.86Å; L506-M579 HydrophobicContact CD1-CE 4.32Å; L506-M579 HydrophobicContact CD1-CG 4.24Å; L506-M579 HydrophobicContact CD2-CB 3.92Å |
| 507 | G | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G503 M504 L505 L510 L511 | G503-G507 PolarHBondContact O-N 2.93Å; M504-G507 PolarHBondContact O-N 2.9Å; L505-G507 VanDerWaalsContact C-N 3.29Å; L505-G507 PolarHBondContact O-N 3.4Å; G507-L510 PolarHBondContact O-N 2.82Å; G507-L511 WeakPolarHBondContact O-CG 3.45Å; G507-L511 PolarHBondContact O-N 3.48Å |
| 508 | A | 97.2 | Very high | 92.5 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 37% | 0.372 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.2 | -35 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V486 M504 L505 L510 L511 Y512 | V486-A508 HydrophobicContact CG2-CB 4.23Å; M504-A508 PolarHBondContact O-N 2.78Å; L505-A508 WeakPolarHBondContact O-CB 3.42Å; L505-A508 PolarHBondContact O-N 3.11Å; L505-A508 VanDerWaalsContact O-N 3.11Å; A508-L510 VanDerWaalsContact C-N 3.33Å; A508-L510 PolarHBondContact O-N 2.93Å; A508-L511 CarbonylContact O-C 3.58Å; A508-L511 PolarHBondContact O-N 3.2Å; A508-L511 VanDerWaalsContact O-N 3.11Å; A508-Y512 PolarHBondContact O-N 3.3Å |
| 509 | V | 95.1 | Very high | 91.9 | Very high | 43 Ų | 43 | 44 Ų | 44 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 174.5 | 167.7 | 0 | 0 | 0 | 0 | 111.2 | L505 L506 L511 Y512 L584 | L505-V509 HydrophobicContact CD1-CG2 4.42Å; L505-V509 WeakPolarHBondContact O-CG2 3.5Å; L505-V509 PolarHBondContact O-N 3.27Å; L506-V509 PolarHBondContact O-N 2.71Å; V509-L511 PolarHBondContact O-N 2.89Å; V509-Y512 PolarHBondContact O-N 2.84Å; V509-L584 HydrophobicContact CG1-CD1 4.32Å; V509-L584 HydrophobicContact CG1-CD2 4.31Å |
| 510 | L | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -26.6 | 174.8 | -72.3 | 171.7 | 0 | 0 | 0 | 113 | L506 G507 A508 Y537 M544 T583 L584 | L506-L510 PolarHBondContact O-N 3.38Å; G507-L510 PolarHBondContact O-N 2.82Å; A508-L510 VanDerWaalsContact C-N 3.33Å; A508-L510 PolarHBondContact O-N 2.93Å; L510-Y537 HydrophobicContact CB-CD2 4.27Å; L510-Y537 HydrophobicContact CB-CG 4.28Å; L510-Y537 HydrophobicContact CD2-CD1 4.28Å; L510-Y537 HydrophobicContact CD2-CD2 3.55Å; L510-Y537 HydrophobicContact CD2-CE2 3.86Å; L510-Y537 HydrophobicContact CD2-CG 3.78Å; L510-M544 HydrophobicContact CD1-SD 4.15Å; L510-T583 HydrophobicContact CD1-CG2 4.04Å; L510-T583 HydrophobicContact CD2-CG2 3.96Å; L510-T583 HydrophobicContact CG-CG2 4.02Å; L510-L584 HydrophobicContact CD2-CD2 3.71Å |
| 511 | L | 93.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 14.2 | -179.8 | -59.2 | -179.1 | 0 | 0 | 0 | 113.1 | Y482 F483 P485 V486 G507 A508 V509 P513 M516 | Y482-L511 HydrophobicContact CD1-CD1 4.43Å; Y482-L511 HydrophobicContact CE1-CD1 4.41Å; Y482-L511 WeakPolarHBondContact O-CD1 3.14Å; F483-L511 HydrophobicContact CD1-CD1 3.86Å; P485-L511 HydrophobicContact CB-CD1 4.37Å; P485-L511 HydrophobicContact CB-CG 4.36Å; P485-L511 HydrophobicContact CG-CD1 4.3Å; P485-L511 HydrophobicContact CG-CD2 4.05Å; P485-L511 HydrophobicContact CG-CG 4.25Å; V486-L511 HydrophobicContact CG2-CD1 3.97Å; G507-L511 WeakPolarHBondContact O-CG 3.45Å; G507-L511 PolarHBondContact O-N 3.48Å; A508-L511 CarbonylContact O-C 3.58Å; A508-L511 PolarHBondContact O-N 3.2Å; A508-L511 VanDerWaalsContact O-N 3.11Å; V509-L511 PolarHBondContact O-N 2.89Å; L511-P513 WeakPolarHBondContact O-CD 3.3Å; L511-M516 HydrophobicContact CB-CE 4.47Å; L511-M516 HydrophobicContact CD2-SD 4.13Å; L511-M516 WeakPolarHBondContact O-CE 3.35Å |
| 512 | Y | 93.9 | Very high | 89.4 | Confident | 142 Ų | 142 | 49.8 Ų | 49.8 | 56% | 0.557 | 28% | 0.279 | S | S | * | . | trans | -65.3 | 124.5 | -179.3 | -174.4 | -111.3 | 0 | 0 | 0 | 109.4 | A508 V509 S514 F515 M516 | A508-Y512 PolarHBondContact O-N 3.3Å; V509-Y512 PolarHBondContact O-N 2.84Å; Y512-S514 PolarHBondContact O-N 3.27Å; Y512-F515 HydrophobicContact CD1-CB 4.18Å; Y512-F515 WeakPolarHBondContact O-CA 3.34Å; Y512-F515 VanDerWaalsContact O-CB 3.29Å; Y512-F515 WeakPolarHBondContact O-CB 3.38Å; Y512-F515 PolarHBondContact O-N 3.33Å; Y512-M516 PolarHBondContact O-N 3.49Å | ||
| 513 | P | 89.4 | Confident | 88.5 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 54% | 0.539 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.7 | -46.9 | -169 | -30.8 | 36.4 | 0 | 0 | 0 | 114.3 | L511 F515 M516 Q517 | L511-P513 WeakPolarHBondContact O-CD 3.3Å; P513-F515 PolarHBondContact O-N 3.18Å; P513-M516 PolarHBondContact O-N 3.48Å; P513-Q517 PolarHBondContact O-N 3.13Å |
| 514 | S | 85 | Confident | 87.8 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 47% | 0.469 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -28.8 | 177.4 | -45.1 | 0 | 0 | 0 | 0 | 112.6 | Y512 M518 | Y512-S514 PolarHBondContact O-N 3.27Å; S514-M518 VanDerWaalsContact O-CG 3.32Å; S514-M518 WeakPolarHBondContact O-CG 3.22Å; S514-M518 PolarHBondContact O-N 2.86Å; S514-M518 VanDerWaalsContact O-N 3.13Å |
| 515 | F | 85.1 | Confident | 87.2 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.2 | -38.9 | 176.4 | -178.6 | -102.3 | 0 | 0 | 0 | 111.9 | Y512 P513 M518 A519 F525 L534 Y537 L584 | Y512-F515 HydrophobicContact CD1-CB 4.18Å; Y512-F515 WeakPolarHBondContact O-CA 3.34Å; Y512-F515 VanDerWaalsContact O-CB 3.29Å; Y512-F515 WeakPolarHBondContact O-CB 3.38Å; Y512-F515 PolarHBondContact O-N 3.33Å; P513-F515 PolarHBondContact O-N 3.18Å; F515-M518 HydrophobicContact CB-CE 4.4Å; F515-M518 HydrophobicContact CD2-CE 4.12Å; F515-A519 PolarHBondContact O-N 2.87Å; F515-F525 HydrophobicContact CE2-CD1 4.33Å; F515-F525 HydrophobicContact CE2-CE1 4.46Å; F515-L534 HydrophobicContact CD2-CD2 3.86Å; F515-L534 HydrophobicContact CE1-CD2 4.25Å; F515-L534 HydrophobicContact CE2-CD2 3.09Å; F515-L534 HydrophobicContact CZ-CD2 3.31Å; F515-Y537 AromaticContact CE1-CD2 3.92Å; F515-Y537 HydrophobicContact CE1-CD2 3.92Å; F515-Y537 AromaticContact CE1-CE2 3.68Å; F515-Y537 HydrophobicContact CE1-CE2 3.68Å; F515-Y537 HydrophobicContact CZ-CE2 4.23Å; F515-L584 HydrophobicContact CE1-CD2 3.95Å; F515-L584 HydrophobicContact CE2-CD1 4.29Å; F515-L584 HydrophobicContact CE2-CD2 4.38Å; F515-L584 HydrophobicContact CZ-CD1 4.36Å; F515-L584 HydrophobicContact CZ-CD2 3.66Å; F515-L584 HydrophobicContact CZ-CG 4.47Å |
| 516 | M | 84.4 | Confident | 86.9 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 173 | -70.4 | -178.3 | -63 | 0 | 0 | 112.1 | Y482 L511 Y512 P513 M518 A519 E520 | Y482-M516 HydrophobicContact CE2-CE 4.42Å; Y482-M516 HydrophobicContact CE2-SD 4.41Å; Y482-M516 WeakPolarHBondContact OH-CE 3.2Å; L511-M516 HydrophobicContact CB-CE 4.47Å; L511-M516 HydrophobicContact CD2-SD 4.13Å; L511-M516 WeakPolarHBondContact O-CE 3.35Å; Y512-M516 PolarHBondContact O-N 3.49Å; P513-M516 PolarHBondContact O-N 3.48Å; M516-M518 VanDerWaalsContact C-N 3.35Å; M516-M518 PolarHBondContact O-N 3.01Å; M516-A519 WeakPolarHBondContact O-CA 3.08Å; M516-A519 VanDerWaalsContact O-CB 3.25Å; M516-A519 WeakPolarHBondContact O-CB 3.38Å; M516-A519 PolarHBondContact O-N 3.23Å; M516-E520 PolarHBondContact O-N 2.99Å; M516-E520 VanDerWaalsContact O-N 3.07Å |
| 517 | Q | 82.3 | Confident | 86.6 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.6 | -169.5 | 63.6 | 54.5 | 0 | 0 | 111.5 | P513 A519 E520 D521 | P513-Q517 PolarHBondContact O-N 3.13Å; Q517-A519 PolarHBondContact O-N 3.36Å; Q517-E520 WeakPolarHBondContact O-CB 3.08Å; Q517-E520 PolarHBondContact O-N 3.35Å; Q517-E520 VanDerWaalsContact O-N 3.1Å; Q517-D521 PolarHBondContact NE2-OD1 3.42Å; Q517-D521 PolarHBondContact O-N 3.26Å |
| 518 | M | 81.2 | Confident | 86.4 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -30.1 | 174.6 | -74.1 | -173.6 | -65.8 | 0 | 0 | 113 | S514 F515 M516 G522 V523 F525 L534 | S514-M518 VanDerWaalsContact O-CG 3.32Å; S514-M518 WeakPolarHBondContact O-CG 3.22Å; S514-M518 PolarHBondContact O-N 2.86Å; S514-M518 VanDerWaalsContact O-N 3.13Å; F515-M518 HydrophobicContact CB-CE 4.4Å; F515-M518 HydrophobicContact CD2-CE 4.12Å; M516-M518 VanDerWaalsContact C-N 3.35Å; M516-M518 PolarHBondContact O-N 3.01Å; M518-G522 PolarHBondContact O-N 3.03Å; M518-V523 HydrophobicContact CB-CB 4.27Å; M518-V523 PolarHBondContact O-N 3.05Å; M518-F525 HydrophobicContact CE-CD2 4.09Å; M518-F525 HydrophobicContact CE-CE2 4.08Å; M518-F525 HydrophobicContact SD-CD2 3.99Å; M518-F525 HydrophobicContact SD-CE2 4.32Å; M518-L534 HydrophobicContact CB-CD1 3.53Å |
| 519 | A | 81 | Confident | 86 | Confident | 18 Ų | 18 | 69.7 Ų | 69.7 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | F515 M516 Q517 G522 L534 | F515-A519 PolarHBondContact O-N 2.87Å; M516-A519 WeakPolarHBondContact O-CA 3.08Å; M516-A519 VanDerWaalsContact O-CB 3.25Å; M516-A519 WeakPolarHBondContact O-CB 3.38Å; M516-A519 PolarHBondContact O-N 3.23Å; Q517-A519 PolarHBondContact O-N 3.36Å; A519-G522 PolarHBondContact O-N 3.21Å; A519-L534 HydrophobicContact CB-CB 3.63Å |
| 520 | E | 76.1 | Confident | 85.8 | Confident | 141 Ų | 141 | 72 Ų | 72 | 66% | 0.659 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.2 | -41.7 | 177.2 | -169.3 | 166.2 | -162.2 | 0 | 0 | 111.6 | M516 Q517 G522 | M516-E520 PolarHBondContact O-N 2.99Å; M516-E520 VanDerWaalsContact O-N 3.07Å; Q517-E520 WeakPolarHBondContact O-CB 3.08Å; Q517-E520 PolarHBondContact O-N 3.35Å; Q517-E520 VanDerWaalsContact O-N 3.1Å; E520-G522 PolarHBondContact O-N 2.71Å; E520-G522 VanDerWaalsContact O-N 3.14Å |
| 521 | D | 79 | Confident | 85.6 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -2.5 | 177.6 | -60.2 | -12.4 | 0 | 0 | 0 | 113.3 | Q517 V523 | Q517-D521 PolarHBondContact NE2-OD1 3.42Å; Q517-D521 PolarHBondContact O-N 3.26Å; D521-V523 HydrophobicContact CB-CG2 3.73Å; D521-V523 PolarHBondContact O-N 3.3Å |
| 522 | G | 77.5 | Confident | 85.3 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 63% | 0.629 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 23 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M518 A519 E520 | M518-G522 PolarHBondContact O-N 3.03Å; A519-G522 PolarHBondContact O-N 3.21Å; E520-G522 PolarHBondContact O-N 2.71Å; E520-G522 VanDerWaalsContact O-N 3.14Å |
| 523 | V | 78.5 | Confident | 84.7 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | trans | -70.5 | 136.3 | -174.8 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | M518 D521 F525 L534 | M518-V523 HydrophobicContact CB-CB 4.27Å; M518-V523 PolarHBondContact O-N 3.05Å; D521-V523 HydrophobicContact CB-CG2 3.73Å; D521-V523 PolarHBondContact O-N 3.3Å; V523-F525 PolarHBondContact O-N 2.93Å; V523-L534 WeakPolarHBondContact O-CD1 3.46Å | ||
| 524 | K | 82 | Confident | 84.1 | Confident | 204 Ų | 204 | 74.3 Ų | 74.3 | 89% | 0.887 | 41% | 0.412 | S | S | * | . | trans | -73.4 | 126.5 | 173.2 | -67.4 | -177.3 | -178.2 | 176.1 | 0 | 110 | ||||
| 525 | F | 86.4 | Confident | 83.8 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 34% | 0.342 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.4 | 177.5 | -167.3 | -102.9 | 0 | 0 | 0 | 111.2 | F515 M518 V523 V527 T532 L534 | F515-F525 HydrophobicContact CE2-CD1 4.33Å; F515-F525 HydrophobicContact CE2-CE1 4.46Å; M518-F525 HydrophobicContact CE-CD2 4.09Å; M518-F525 HydrophobicContact CE-CE2 4.08Å; M518-F525 HydrophobicContact SD-CD2 3.99Å; M518-F525 HydrophobicContact SD-CE2 4.32Å; V523-F525 PolarHBondContact O-N 2.93Å; F525-V527 HydrophobicContact CD1-CG2 4.1Å; F525-V527 HydrophobicContact CE1-CG2 3.94Å; F525-T532 HydrophobicContact CB-CG2 4.26Å; F525-T532 HydrophobicContact CD1-CG2 4.01Å; F525-T532 PolarHBondContact O-N 2.84Å; F525-L534 HydrophobicContact CB-CD1 3.74Å; F525-L534 HydrophobicContact CB-CD2 3.98Å; F525-L534 HydrophobicContact CB-CG 3.94Å; F525-L534 HydrophobicContact CD1-CD2 4.31Å; F525-L534 HydrophobicContact CG-CD2 4.4Å |
| 526 | S | 90.6 | Very high | 83.7 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 43% | 0.434 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 140.3 | 175.7 | 76.4 | 0 | 0 | 0 | 0 | 110.9 | L530 | S526-L530 CarbonylContact C-O 3.59Å; S526-L530 WeakPolarHBondContact CA-O 3.41Å; S526-L530 WeakPolarHBondContact CB-O 3.42Å |
| 527 | V | 91.9 | Very high | 83.8 | Confident | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.042 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 111.1 | 177.2 | -176 | 0 | 0 | 0 | 0 | 107.3 | F525 G529 L530 T532 I580 P581 L584 V585 | F525-V527 HydrophobicContact CD1-CG2 4.1Å; F525-V527 HydrophobicContact CE1-CG2 3.94Å; V527-G529 PolarHBondContact O-N 2.86Å; V527-L530 PolarHBondContact N-O 2.93Å; V527-L530 WeakPolarHBondContact O-CB 3.17Å; V527-L530 PolarHBondContact O-N 2.9Å; V527-T532 HydrophobicContact CG2-CG2 4.07Å; V527-I580 HydrophobicContact CG1-CG2 3.77Å; V527-P581 HydrophobicContact CG1-CB 4.07Å; V527-L584 HydrophobicContact CG2-CB 3.92Å; V527-L584 HydrophobicContact CG2-CD1 3.91Å; V527-V585 HydrophobicContact CB-CG2 3.83Å; V527-V585 HydrophobicContact CG2-CG2 4.18Å |
| 528 | Y | 92.6 | Very high | 83.8 | Confident | 149 Ų | 149 | 74.1 Ų | 74.1 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 37.6 | -173 | -54 | -28.9 | 0 | 0 | 0 | 113.4 | L530 P581 | Y528-L530 PolarHBondContact O-N 2.78Å; Y528-P581 HydrophobicContact CD2-CB 4.12Å; Y528-P581 HydrophobicContact CD2-CG 3.86Å; Y528-P581 HydrophobicContact CE2-CG 3.93Å |
| 529 | G | 88.9 | Confident | 83.9 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 63% | 0.629 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -4.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V527 | V527-G529 PolarHBondContact O-N 2.86Š|
| 530 | L | 90.2 | Very high | 84.1 | Confident | 93 Ų | 93 | 74.6 Ų | 74.6 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124.7 | 172.2 | -61.3 | 173.7 | 0 | 0 | 0 | 109.5 | S526 V527 Y528 V585 | S526-L530 CarbonylContact C-O 3.59Å; S526-L530 WeakPolarHBondContact CA-O 3.41Å; S526-L530 WeakPolarHBondContact CB-O 3.42Å; V527-L530 PolarHBondContact N-O 2.93Å; V527-L530 WeakPolarHBondContact O-CB 3.17Å; V527-L530 PolarHBondContact O-N 2.9Å; Y528-L530 PolarHBondContact O-N 2.78Å; L530-V585 HydrophobicContact CB-CG1 4.33Å; L530-V585 HydrophobicContact CB-CG2 4.18Å |
| 531 | P | 87.9 | Confident | 84.6 | Confident | 106 Ų | 106 | 68.5 Ų | 68.5 | 69% | 0.688 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 139.7 | 177.1 | 27.8 | -33.6 | 0 | 0 | 0 | 110.1 | ||
| 532 | T | 87.6 | Confident | 85.1 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152 | 173 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | F525 V527 L534 L584 | F525-T532 HydrophobicContact CB-CG2 4.26Å; F525-T532 HydrophobicContact CD1-CG2 4.01Å; F525-T532 PolarHBondContact O-N 2.84Å; V527-T532 HydrophobicContact CG2-CG2 4.07Å; T532-L534 HydrophobicContact CG2-CD2 3.98Å; T532-L584 PolarHBondContact OG1-O 2.83Å |
| 533 | M | 81.7 | Confident | 85.7 | Confident | 137 Ų | 137 | 62 Ų | 62 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | trans | -90.6 | 103.8 | 168.3 | -67.7 | -72.7 | -73.5 | 0 | 0 | 107.6 | Y537 P589 | M533-Y537 PolarHBondContact O-OH 3.04Å; M533-P589 HydrophobicContact CB-CB 4.36Å; M533-P589 HydrophobicContact CB-CG 4.33Å | ||
| 534 | L | 76.6 | Confident | 86.4 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.12 | 32% | 0.319 | C | S | . | . | trans | -66.1 | 137.1 | 175.1 | -64 | -177.8 | 0 | 0 | 0 | 109.9 | F515 M518 A519 V523 F525 T532 | F515-L534 HydrophobicContact CD2-CD2 3.86Å; F515-L534 HydrophobicContact CE1-CD2 4.25Å; F515-L534 HydrophobicContact CE2-CD2 3.09Å; F515-L534 HydrophobicContact CZ-CD2 3.31Å; M518-L534 HydrophobicContact CB-CD1 3.53Å; A519-L534 HydrophobicContact CB-CB 3.63Å; V523-L534 WeakPolarHBondContact O-CD1 3.46Å; F525-L534 HydrophobicContact CB-CD1 3.74Å; F525-L534 HydrophobicContact CB-CD2 3.98Å; F525-L534 HydrophobicContact CB-CG 3.94Å; F525-L534 HydrophobicContact CD1-CD2 4.31Å; F525-L534 HydrophobicContact CG-CD2 4.4Å; T532-L534 HydrophobicContact CG2-CD2 3.98Å | ||
| 535 | Q | 78.8 | Confident | 86.9 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 29% | 0.29 | 28% | 0.279 | S | S | . | . | trans | -140.6 | 156.3 | 175.4 | -61.8 | -174 | 11.6 | 0 | 0 | 108.5 | Y537 | Q535-Y537 HydrophobicContact CB-CE1 3.94Å; Q535-Y537 HydrophobicContact CB-CE2 4.34Å; Q535-Y537 WeakPolarHBondContact O-CD2 3.27Å; Q535-Y537 WeakPolarHBondContact O-CE2 3.4Å; Q535-Y537 PolarHBondContact O-N 3.09Å | ||
| 536 | N | 81.6 | Confident | 87.3 | Confident | 86 Ų | 86 | 48 Ų | 48 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | trans | -74.9 | 115.6 | 168.1 | -171.8 | -31.6 | 0 | 0 | 0 | 108.9 | S538 | N536-S538 WeakPolarHBondContact OD1-CB 3.22Å; N536-S538 PolarHBondContact OD1-N 3.42Å; N536-S538 PolarHBondContact OD1-OG 3.44Å | ||
| 537 | Y | 86.7 | Confident | 87.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | trans | -96.8 | 4 | -178.2 | -61.2 | -69.1 | 0 | 0 | 0 | 113.4 | P485 L510 F515 M533 Q535 T540 P543 | P485-Y537 VanDerWaalsContact CG-O 3.28Å; P485-Y537 WeakPolarHBondContact CG-O 3.39Å; L510-Y537 HydrophobicContact CB-CD2 4.27Å; L510-Y537 HydrophobicContact CB-CG 4.28Å; L510-Y537 HydrophobicContact CD2-CD1 4.28Å; L510-Y537 HydrophobicContact CD2-CD2 3.55Å; L510-Y537 HydrophobicContact CD2-CE2 3.86Å; L510-Y537 HydrophobicContact CD2-CG 3.78Å; F515-Y537 AromaticContact CE1-CD2 3.92Å; F515-Y537 HydrophobicContact CE1-CD2 3.92Å; F515-Y537 AromaticContact CE1-CE2 3.68Å; F515-Y537 HydrophobicContact CE1-CE2 3.68Å; F515-Y537 HydrophobicContact CZ-CE2 4.23Å; M533-Y537 PolarHBondContact O-OH 3.04Å; Q535-Y537 HydrophobicContact CB-CE1 3.94Å; Q535-Y537 HydrophobicContact CB-CE2 4.34Å; Q535-Y537 WeakPolarHBondContact O-CD2 3.27Å; Q535-Y537 WeakPolarHBondContact O-CE2 3.4Å; Q535-Y537 PolarHBondContact O-N 3.09Å; Y537-T540 WeakPolarHBondContact O-CB 3.44Å; Y537-T540 WeakPolarHBondContact O-CG2 3.41Å; Y537-T540 PolarHBondContact O-N 3.34Å; Y537-T540 PolarHBondContact O-OG1 2.93Å; Y537-P543 HydrophobicContact CD1-CG 4.3Å | ||
| 538 | S | 84 | Confident | 87.8 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 140.7 | 174.9 | 69.4 | 0 | 0 | 0 | 0 | 111 | N536 T540 | N536-S538 WeakPolarHBondContact OD1-CB 3.22Å; N536-S538 PolarHBondContact OD1-N 3.42Å; N536-S538 PolarHBondContact OD1-OG 3.44Å; S538-T540 PolarHBondContact O-N 3.33Å |
| 539 | S | 81.5 | Confident | 88 | Confident | 46 Ų | 46 | 40 Ų | 40 | 32% | 0.322 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 11.2 | -179.2 | -45.8 | 0 | 0 | 0 | 0 | 116.1 | F481 Y482 | F481-S539 VanDerWaalsContact O-CA 3.22Å; F481-S539 WeakPolarHBondContact O-CA 3.05Å; F481-S539 PolarHBondContact O-OG 3.36Å; Y482-S539 PolarHBondContact O-N 3.24Å |
| 540 | T | 85.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | trans | -86.2 | 148.2 | 178.6 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | Y537 S538 | Y537-T540 WeakPolarHBondContact O-CB 3.44Å; Y537-T540 WeakPolarHBondContact O-CG2 3.41Å; Y537-T540 PolarHBondContact O-N 3.34Å; Y537-T540 PolarHBondContact O-OG1 2.93Å; S538-T540 PolarHBondContact O-N 3.33Å | ||
| 541 | V | 86.8 | Confident | 88.8 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 7% | 0.073 | 19% | 0.191 | C | C | . | . | trans | -113.6 | -52.1 | -179 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | L435 L484 I488 M544 I545 | L435-V541 HydrophobicContact CD2-CG1 4.07Å; L484-V541 HydrophobicContact CD1-CG2 4.44Å; I488-V541 HydrophobicContact CD1-CB 3.78Å; I488-V541 HydrophobicContact CD1-CG1 3.64Å; I488-V541 HydrophobicContact CD1-CG2 3.76Å; V541-M544 PolarHBondContact O-N 3.09Å; V541-I545 HydrophobicContact CG1-CG1 3.81Å; V541-I545 WeakPolarHBondContact O-CG1 3.35Å; V541-I545 PolarHBondContact O-N 3.44Å | ||
| 542 | L | 88.6 | Confident | 89.2 | Confident | 20 Ų | 20 | 29.7 Ų | 29.7 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.3 | -46.8 | -172.7 | -176.5 | 61.9 | 0 | 0 | 0 | 114.3 | M544 I545 L546 I594 T627 M629 | L542-M544 PolarHBondContact O-N 3.44Å; L542-I545 PolarHBondContact O-N 3.17Å; L542-L546 HydrophobicContact CD1-CD1 4Å; L542-L546 HydrophobicContact CD1-CD2 4.36Å; L542-L546 HydrophobicContact CD1-CG 3.92Å; L542-L546 HydrophobicContact CG-CD1 4.03Å; L542-L546 HydrophobicContact CG-CG 4.35Å; L542-L546 WeakPolarHBondContact O-CG 3.47Å; L542-L546 PolarHBondContact O-N 2.65Å; L542-I594 HydrophobicContact CD2-CD1 4.49Å; L542-T627 WeakPolarHBondContact CB-O 3.25Å; L542-T627 PolarHBondContact N-O 3.2Å; L542-M629 HydrophobicContact CB-CG 4.49Å; L542-M629 HydrophobicContact CD2-CE 4.22Å; L542-M629 HydrophobicContact CD2-CG 3.97Å; L542-M629 HydrophobicContact CD2-SD 3.58Å; L542-M629 VanDerWaalsContact CD2-SD 3.58Å |
| 543 | P | 90.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.5 | -42.9 | 179.1 | -28.2 | 37.3 | 0 | 0 | 0 | 112.4 | Y537 T547 | Y537-P543 HydrophobicContact CD1-CG 4.3Å; P543-T547 VanDerWaalsContact O-CB 3.24Å; P543-T547 WeakPolarHBondContact O-CB 3.31Å; P543-T547 PolarHBondContact O-N 3.35Å; P543-T547 PolarHBondContact O-OG1 2.77Å |
| 544 | M | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.3 | -41.6 | -177.4 | -161.4 | 69 | -132.1 | 0 | 0 | 112.4 | P485 I488 G503 L506 L510 V541 L542 L546 T547 I548 | P485-M544 VanDerWaalsContact O-CG 3.25Å; P485-M544 WeakPolarHBondContact O-CG 2.97Å; I488-M544 HydrophobicContact CB-CB 4.13Å; I488-M544 HydrophobicContact CB-CG 3.92Å; I488-M544 HydrophobicContact CG2-CB 3.75Å; I488-M544 HydrophobicContact CG2-CG 3.68Å; G503-M544 WeakPolarHBondContact O-CE 3.38Å; L506-M544 HydrophobicContact CB-CE 3.86Å; L510-M544 HydrophobicContact CD1-SD 4.15Å; V541-M544 PolarHBondContact O-N 3.09Å; L542-M544 PolarHBondContact O-N 3.44Å; M544-L546 VanDerWaalsContact C-N 3.3Å; M544-L546 PolarHBondContact O-N 2.84Å; M544-T547 HydrophobicContact CE-CG2 3.67Å; M544-T547 WeakPolarHBondContact O-CB 3.46Å; M544-T547 PolarHBondContact O-N 2.83Å; M544-I548 HydrophobicContact CE-CD1 3.3Å; M544-I548 HydrophobicContact CE-CG1 3.65Å; M544-I548 WeakPolarHBondContact O-CG1 3.32Å; M544-I548 PolarHBondContact O-N 2.92Å |
| 545 | I | 92.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57 | -43.8 | 175.6 | -72.5 | -67.7 | 0 | 0 | 0 | 111.1 | Y430 L431 I488 A492 V541 L542 V549 | Y430-I545 HydrophobicContact CD1-CG2 4.31Å; Y430-I545 HydrophobicContact CE1-CG2 3.53Å; Y430-I545 PolarHBondContact OH-O 2.81Å; L431-I545 HydrophobicContact CD2-CG2 3.76Å; I488-I545 HydrophobicContact CG2-CD1 3.7Å; I488-I545 HydrophobicContact CG2-CG1 3.98Å; A492-I545 HydrophobicContact CB-CD1 4.37Å; V541-I545 HydrophobicContact CG1-CG1 3.81Å; V541-I545 WeakPolarHBondContact O-CG1 3.35Å; V541-I545 PolarHBondContact O-N 3.44Å; L542-I545 PolarHBondContact O-N 3.17Å; I545-V549 WeakPolarHBondContact O-CG2 3.39Å; I545-V549 PolarHBondContact O-N 2.94Å |
| 546 | L | 93.7 | Very high | 92.2 | Very high | 48 Ų | 48 | 33.9 Ų | 33.9 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.6 | -39.6 | 176.9 | -64.3 | 178.2 | 0 | 0 | 0 | 112 | L542 M544 I548 V549 A550 F587 L590 | L542-L546 HydrophobicContact CD1-CD1 4Å; L542-L546 HydrophobicContact CD1-CD2 4.36Å; L542-L546 HydrophobicContact CD1-CG 3.92Å; L542-L546 HydrophobicContact CG-CD1 4.03Å; L542-L546 HydrophobicContact CG-CG 4.35Å; L542-L546 WeakPolarHBondContact O-CG 3.47Å; L542-L546 PolarHBondContact O-N 2.65Å; M544-L546 VanDerWaalsContact C-N 3.3Å; M544-L546 PolarHBondContact O-N 2.84Å; L546-I548 PolarHBondContact O-N 2.92Å; L546-V549 WeakPolarHBondContact O-CB 3.23Å; L546-V549 PolarHBondContact O-N 2.94Å; L546-A550 PolarHBondContact O-N 2.91Å; L546-F587 HydrophobicContact CB-CB 4.32Å; L546-F587 HydrophobicContact CB-CD1 3.75Å; L546-F587 HydrophobicContact CB-CE1 4.37Å; L546-F587 HydrophobicContact CB-CG 4.13Å; L546-F587 HydrophobicContact CD1-CD1 4.36Å; L546-L590 HydrophobicContact CD1-CD2 3.99Å |
| 547 | T | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | 177.8 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | L506 P543 M544 A550 M551 M579 T583 | L506-T547 HydrophobicContact CB-CG2 4.35Å; L506-T547 HydrophobicContact CD1-CG2 3.84Å; P543-T547 VanDerWaalsContact O-CB 3.24Å; P543-T547 WeakPolarHBondContact O-CB 3.31Å; P543-T547 PolarHBondContact O-N 3.35Å; P543-T547 PolarHBondContact O-OG1 2.77Å; M544-T547 HydrophobicContact CE-CG2 3.67Å; M544-T547 WeakPolarHBondContact O-CB 3.46Å; M544-T547 PolarHBondContact O-N 2.83Å; T547-A550 PolarHBondContact O-N 3.39Å; T547-M551 WeakPolarHBondContact O-CB 3.46Å; T547-M551 PolarHBondContact O-N 3.36Å; T547-M579 HydrophobicContact CG2-CE 3.61Å; T547-M579 WeakPolarHBondContact O-CE 3.36Å; T547-T583 HydrophobicContact CG2-CG2 3.92Å; T547-T583 VanDerWaalsContact CG2-OG1 3.23Å; T547-T583 WeakPolarHBondContact CG2-OG1 3.06Å |
| 548 | I | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.7 | -34.3 | 179 | -60.4 | -52.2 | 0 | 0 | 0 | 112.2 | A492 S493 L496 M544 L546 A550 M551 S552 | A492-I548 HydrophobicContact CB-CB 4.05Å; A492-I548 HydrophobicContact CB-CG1 4.01Å; A492-I548 HydrophobicContact CB-CG2 3.99Å; S493-I548 WeakPolarHBondContact OG-CD1 3.41Å; L496-I548 HydrophobicContact CD1-CG2 4.09Å; M544-I548 HydrophobicContact CE-CD1 3.3Å; M544-I548 HydrophobicContact CE-CG1 3.65Å; M544-I548 WeakPolarHBondContact O-CG1 3.32Å; M544-I548 PolarHBondContact O-N 2.92Å; L546-I548 PolarHBondContact O-N 2.92Å; I548-A550 VanDerWaalsContact C-N 3.35Å; I548-A550 PolarHBondContact O-N 3.16Å; I548-M551 HydrophobicContact CD1-SD 3.96Å; I548-M551 WeakPolarHBondContact O-CB 3.44Å; I548-M551 PolarHBondContact O-N 2.85Å; I548-S552 PolarHBondContact O-N 3.25Å |
| 549 | V | 96.6 | Very high | 93.7 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 30% | 0.303 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 172 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | Y430 L496 I545 L546 S552 F553 | Y430-V549 HydrophobicContact CD1-CG2 4.07Å; Y430-V549 HydrophobicContact CE1-CG2 3.28Å; L496-V549 HydrophobicContact CD1-CG2 4.02Å; I545-V549 WeakPolarHBondContact O-CG2 3.39Å; I545-V549 PolarHBondContact O-N 2.94Å; L546-V549 WeakPolarHBondContact O-CB 3.23Å; L546-V549 PolarHBondContact O-N 2.94Å; V549-S552 WeakPolarHBondContact O-CB 3.15Å; V549-S552 PolarHBondContact O-N 2.8Å; V549-S552 PolarHBondContact O-OG 2.95Å; V549-F553 HydrophobicContact CG1-CE2 3.86Å; V549-F553 WeakPolarHBondContact O-CD2 3.28Å; V549-F553 WeakPolarHBondContact O-CE2 3.21Å |
| 550 | A | 97.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L546 T547 I548 S552 F553 V554 M579 F587 | L546-A550 PolarHBondContact O-N 2.91Å; T547-A550 PolarHBondContact O-N 3.39Å; I548-A550 VanDerWaalsContact C-N 3.35Å; I548-A550 PolarHBondContact O-N 3.16Å; A550-S552 PolarHBondContact O-N 3.06Å; A550-F553 PolarHBondContact O-N 2.67Å; A550-V554 WeakPolarHBondContact O-CG2 3.45Å; A550-V554 PolarHBondContact O-N 3.02Å; A550-V554 VanDerWaalsContact O-N 3.07Å; A550-M579 HydrophobicContact CB-CE 4.07Å; A550-M579 HydrophobicContact CB-SD 4.31Å; A550-F587 HydrophobicContact CB-CD2 4.32Å; A550-F587 HydrophobicContact CB-CE2 3.28Å; A550-F587 HydrophobicContact CB-CZ 3.47Å; A550-F587 VanDerWaalsContact CB-CZ 3.47Å |
| 551 | M | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.2 | -37.3 | 176.2 | -176.4 | 179.4 | 163.3 | 0 | 0 | 111.9 | S499 I502 L506 T547 I548 F553 V554 E555 T575 M579 | S499-M551 WeakPolarHBondContact O-CE 3.24Å; I502-M551 HydrophobicContact CB-CE 3.62Å; I502-M551 HydrophobicContact CG2-CE 3.54Å; I502-M551 HydrophobicContact CG2-SD 4.12Å; L506-M551 HydrophobicContact CD1-SD 3.97Å; T547-M551 WeakPolarHBondContact O-CB 3.46Å; T547-M551 PolarHBondContact O-N 3.36Å; I548-M551 HydrophobicContact CD1-SD 3.96Å; I548-M551 WeakPolarHBondContact O-CB 3.44Å; I548-M551 PolarHBondContact O-N 2.85Å; M551-F553 PolarHBondContact O-N 3.17Å; M551-V554 PolarHBondContact O-N 2.69Å; M551-E555 WeakPolarHBondContact CE-OE2 3.21Å; M551-E555 VanDerWaalsContact O-CB 3.29Å; M551-E555 WeakPolarHBondContact O-CB 3.44Å; M551-E555 PolarHBondContact O-N 2.86Å; M551-T575 HydrophobicContact CE-CG2 4.23Å; M551-T575 HydrophobicContact CG-CG2 3.88Å; M551-M579 VanDerWaalsContact CA-SD 3.6Å; M551-M579 HydrophobicContact CB-CE 4Å; M551-M579 HydrophobicContact CB-CG 4.23Å; M551-M579 HydrophobicContact CB-SD 4Å; M551-M579 HydrophobicContact CG-CG 4.3Å |
| 552 | S | 97.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -33.3 | 177.5 | 79.8 | 0 | 0 | 0 | 0 | 113.5 | T498 I548 V549 A550 K556 | T498-S552 VanDerWaalsContact CG2-CA 3.49Å; I548-S552 PolarHBondContact O-N 3.25Å; V549-S552 WeakPolarHBondContact O-CB 3.15Å; V549-S552 PolarHBondContact O-N 2.8Å; V549-S552 PolarHBondContact O-OG 2.95Å; A550-S552 PolarHBondContact O-N 3.06Å; S552-K556 VanDerWaalsContact O-CB 3.23Å; S552-K556 WeakPolarHBondContact O-CB 3.12Å; S552-K556 PolarHBondContact O-N 3.45Å |
| 553 | F | 97.4 | Very high | 94.8 | Very high | 143 Ų | 143 | 53.4 Ų | 53.4 | 63% | 0.627 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -79.9 | -41.6 | 175 | -60.5 | -77.5 | 0 | 0 | 0 | 111.8 | V549 A550 M551 K556 F557 | V549-F553 HydrophobicContact CG1-CE2 3.86Å; V549-F553 WeakPolarHBondContact O-CD2 3.28Å; V549-F553 WeakPolarHBondContact O-CE2 3.21Å; A550-F553 PolarHBondContact O-N 2.67Å; M551-F553 PolarHBondContact O-N 3.17Å; F553-K556 PolarHBondContact O-N 2.96Å; F553-F557 PolarHBondContact O-N 3.27Å |
| 554 | V | 97.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -47.7 | -179 | 174 | 0 | 0 | 0 | 0 | 111.3 | A550 M551 K556 F557 W558 T575 V578 M579 L582 | A550-V554 WeakPolarHBondContact O-CG2 3.45Å; A550-V554 PolarHBondContact O-N 3.02Å; A550-V554 VanDerWaalsContact O-N 3.07Å; M551-V554 PolarHBondContact O-N 2.69Å; V554-K556 VanDerWaalsContact C-N 3.32Å; V554-K556 PolarHBondContact O-N 3.45Å; V554-F557 WeakPolarHBondContact O-CB 3.37Å; V554-F557 PolarHBondContact O-N 2.99Å; V554-F557 VanDerWaalsContact O-N 3.16Å; V554-W558 PolarHBondContact O-N 3.07Å; V554-T575 HydrophobicContact CG1-CG2 4.19Å; V554-V578 HydrophobicContact CG1-CB 3.8Å; V554-V578 HydrophobicContact CG1-CG1 3.85Å; V554-V578 HydrophobicContact CG1-CG2 4.44Å; V554-V578 HydrophobicContact CG2-CG1 3.92Å; V554-M579 HydrophobicContact CB-SD 4.14Å; V554-M579 HydrophobicContact CG1-CG 4.35Å; V554-M579 HydrophobicContact CG1-SD 4.49Å; V554-M579 HydrophobicContact CG2-SD 3.82Å; V554-L582 HydrophobicContact CG2-CD1 4.3Å |
| 555 | E | 96.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 178.3 | -169.8 | -173.5 | 138.1 | 0 | 0 | 110.9 | T498 S499 M551 F557 W558 K559 I571 T575 | T498-E555 WeakPolarHBondContact CB-OE2 3.44Å; S499-E555 WeakPolarHBondContact CB-OE2 3.41Å; S499-E555 PolarHBondContact N-OE2 2.91Å; M551-E555 WeakPolarHBondContact CE-OE2 3.21Å; M551-E555 VanDerWaalsContact O-CB 3.29Å; M551-E555 WeakPolarHBondContact O-CB 3.44Å; M551-E555 PolarHBondContact O-N 2.86Å; E555-F557 VanDerWaalsContact C-N 3.29Å; E555-F557 PolarHBondContact O-N 3.04Å; E555-W558 PolarHBondContact O-N 3.23Å; E555-K559 HydrophobicContact CG-CD 4.25Å; E555-K559 WeakPolarHBondContact O-CB 3.38Å; E555-K559 WeakPolarHBondContact O-CG 3.4Å; E555-K559 PolarHBondContact O-N 3.45Å; E555-K559 WeakPolarHBondContact OE1-CE 3.25Å; E555-K559 IonicContact OE1-NZ 3.29Å; E555-K559 PolarHBondContact OE1-NZ 3.05Å; E555-I571 HydrophobicContact CG-CG2 4.15Å; E555-T575 HydrophobicContact CB-CG2 4.1Å |
| 556 | K | 94.6 | Very high | 93.9 | Very high | 154 Ų | 154 | 68 Ų | 68 | 67% | 0.67 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.2 | -37 | 174.4 | -174.7 | 173.3 | -175.4 | 171.1 | 0 | 112.2 | S552 F553 V554 K560 | S552-K556 VanDerWaalsContact O-CB 3.23Å; S552-K556 WeakPolarHBondContact O-CB 3.12Å; S552-K556 PolarHBondContact O-N 3.45Å; F553-K556 PolarHBondContact O-N 2.96Å; V554-K556 VanDerWaalsContact C-N 3.32Å; V554-K556 PolarHBondContact O-N 3.45Å; K556-K560 WeakPolarHBondContact O-CB 3.4Å; K556-K560 PolarHBondContact O-N 3.49Å; K556-K560 VanDerWaalsContact O-N 3.09Å |
| 557 | F | 96 | Very high | 93.6 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.5 | -51.5 | 172.4 | 169.4 | -90 | 0 | 0 | 0 | 110.8 | F553 V554 E555 K559 K560 F561 | F553-F557 PolarHBondContact O-N 3.27Å; V554-F557 WeakPolarHBondContact O-CB 3.37Å; V554-F557 PolarHBondContact O-N 2.99Å; V554-F557 VanDerWaalsContact O-N 3.16Å; E555-F557 VanDerWaalsContact C-N 3.29Å; E555-F557 PolarHBondContact O-N 3.04Å; F557-K559 PolarHBondContact O-N 3.25Å; F557-K560 PolarHBondContact O-N 2.92Å; F557-K560 VanDerWaalsContact O-N 3.1Å; F557-F561 AromaticContact CD2-CD2 3.49Å; F557-F561 HydrophobicContact CD2-CD2 3.49Å; F557-F561 VanDerWaalsContact CD2-CD2 3.49Å; F557-F561 AromaticContact CD2-CE2 3.55Å; F557-F561 HydrophobicContact CD2-CE2 3.55Å; F557-F561 AromaticContact CE2-CD2 3.41Å; F557-F561 HydrophobicContact CE2-CD2 3.41Å; F557-F561 VanDerWaalsContact CE2-CD2 3.41Å; F557-F561 AromaticContact CE2-CE2 3.49Å; F557-F561 HydrophobicContact CE2-CE2 3.49Å; F557-F561 VanDerWaalsContact CE2-CE2 3.49Å; F557-F561 HydrophobicContact CE2-CG 4.28Å; F557-F561 HydrophobicContact CE2-CZ 4.41Å; F557-F561 HydrophobicContact CG-CD2 4.11Å; F557-F561 AromaticContact CZ-CD2 3.96Å; F557-F561 HydrophobicContact CZ-CD2 3.96Å; F557-F561 HydrophobicContact CZ-CE2 4.43Å; F557-F561 HydrophobicContact CZ-CG 4.48Å; F557-F561 WeakPolarHBondContact O-CD2 3.4Å; F557-F561 PolarHBondContact O-N 3.39Å; F557-F561 VanDerWaalsContact O-N 3.07Å |
| 558 | W | 95.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 75.3 Ų | 75.3 | 21% | 0.212 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 178.7 | -73.8 | 110.2 | 0 | 0 | 0 | 112.6 | V554 E555 K560 F561 T562 M570 I571 G574 V578 | V554-W558 PolarHBondContact O-N 3.07Å; E555-W558 PolarHBondContact O-N 3.23Å; W558-K560 PolarHBondContact O-N 3.24Å; W558-F561 PolarHBondContact O-N 3.47Å; W558-T562 WeakPolarHBondContact O-CB 3.27Å; W558-T562 PolarHBondContact O-N 3.28Å; W558-T562 PolarHBondContact O-OG1 3.05Å; W558-M570 HydrophobicContact CE3-CG 4.41Å; W558-M570 HydrophobicContact CZ3-CG 4.26Å; W558-I571 HydrophobicContact CB-CG1 4.34Å; W558-I571 HydrophobicContact CB-CG2 4.38Å; W558-G574 PolarHBondContact NE1-O 3.48Å; W558-V578 HydrophobicContact CZ2-CG2 4.3Å |
| 559 | K | 92.7 | Very high | 92.4 | Very high | 90 Ų | 90 | 80.8 Ų | 80.8 | 39% | 0.391 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57 | -36.9 | 174.1 | -79.8 | 172.7 | 165.5 | 171 | 0 | 112.7 | E555 F557 I571 | E555-K559 HydrophobicContact CG-CD 4.25Å; E555-K559 WeakPolarHBondContact O-CB 3.38Å; E555-K559 WeakPolarHBondContact O-CG 3.4Å; E555-K559 PolarHBondContact O-N 3.45Å; E555-K559 WeakPolarHBondContact OE1-CE 3.25Å; E555-K559 IonicContact OE1-NZ 3.29Å; E555-K559 PolarHBondContact OE1-NZ 3.05Å; F557-K559 PolarHBondContact O-N 3.25Å; K559-I571 HydrophobicContact CG-CD1 3.9Å; K559-I571 HydrophobicContact CG-CG2 4.23Å |
| 560 | K | 94.4 | Very high | 92.2 | Very high | 165 Ų | 165 | 80.9 Ų | 80.9 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -76.2 | -36.2 | -179.2 | -176.1 | 177.7 | 178.1 | -177.3 | 0 | 113.5 | K556 F557 W558 | K556-K560 WeakPolarHBondContact O-CB 3.4Å; K556-K560 PolarHBondContact O-N 3.49Å; K556-K560 VanDerWaalsContact O-N 3.09Å; F557-K560 PolarHBondContact O-N 2.92Å; F557-K560 VanDerWaalsContact O-N 3.1Å; W558-K560 PolarHBondContact O-N 3.24Å |
| 561 | F | 93.7 | Very high | 92 | Very high | 130 Ų | 130 | 81.2 Ų | 81.2 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -105.9 | -7.2 | -170.5 | -71.7 | -78.7 | 0 | 0 | 0 | 114.7 | F557 W558 | F557-F561 AromaticContact CD2-CD2 3.49Å; F557-F561 HydrophobicContact CD2-CD2 3.49Å; F557-F561 VanDerWaalsContact CD2-CD2 3.49Å; F557-F561 AromaticContact CD2-CE2 3.55Å; F557-F561 HydrophobicContact CD2-CE2 3.55Å; F557-F561 AromaticContact CE2-CD2 3.41Å; F557-F561 HydrophobicContact CE2-CD2 3.41Å; F557-F561 VanDerWaalsContact CE2-CD2 3.41Å; F557-F561 AromaticContact CE2-CE2 3.49Å; F557-F561 HydrophobicContact CE2-CE2 3.49Å; F557-F561 VanDerWaalsContact CE2-CE2 3.49Å; F557-F561 HydrophobicContact CE2-CG 4.28Å; F557-F561 HydrophobicContact CE2-CZ 4.41Å; F557-F561 HydrophobicContact CG-CD2 4.11Å; F557-F561 AromaticContact CZ-CD2 3.96Å; F557-F561 HydrophobicContact CZ-CD2 3.96Å; F557-F561 HydrophobicContact CZ-CE2 4.43Å; F557-F561 HydrophobicContact CZ-CG 4.48Å; F557-F561 WeakPolarHBondContact O-CD2 3.4Å; F557-F561 PolarHBondContact O-N 3.39Å; F557-F561 VanDerWaalsContact O-N 3.07Å; W558-F561 PolarHBondContact O-N 3.47Å |
| 562 | T | 90.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 83.5 Ų | 83.5 | 7% | 0.067 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -86.8 | 124.9 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | W558 L566 K567 M570 I571 | W558-T562 WeakPolarHBondContact O-CB 3.27Å; W558-T562 PolarHBondContact O-N 3.28Å; W558-T562 PolarHBondContact O-OG1 3.05Å; T562-L566 HydrophobicContact CG2-CB 3.94Å; T562-K567 HydrophobicContact CG2-CG 4Å; T562-K567 WeakPolarHBondContact O-CE 3.49Å; T562-M570 HydrophobicContact CG2-CB 3.82Å; T562-M570 HydrophobicContact CG2-CG 4.03Å; T562-I571 HydrophobicContact CG2-CG1 4.34Å |
| 563 | P | 88 | Confident | 91.6 | Very high | 84 Ų | 84 | 88.1 Ų | 88.1 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | trans | -61.1 | 147.8 | 171.9 | -20.5 | 32 | 0 | 0 | 0 | 112.2 | V565 L566 K567 | P563-V565 VanDerWaalsContact C-N 3.31Å; P563-V565 PolarHBondContact O-N 3.24Å; P563-V565 VanDerWaalsContact O-N 3.16Å; P563-L566 PolarHBondContact O-N 3.19Å; P563-K567 PolarHBondContact O-N 3.18Å | ||
| 564 | D | 86 | Confident | 91.6 | Very high | 118 Ų | 118 | 81.4 Ų | 81.4 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -52.6 | -43.5 | -170.7 | -64 | -36.1 | 0 | 0 | 0 | 114.3 | L566 K567 | D564-L566 PolarHBondContact O-N 3.44Å; D564-L566 VanDerWaalsContact O-N 3.15Å; D564-K567 WeakPolarHBondContact O-CB 3.43Å; D564-K567 PolarHBondContact O-N 3.31Å; D564-K567 WeakPolarHBondContact OD1-CE 3.26Å; D564-K567 IonicContact OD1-NZ 3.49Å; D564-K567 PolarHBondContact OD1-NZ 3.08Å |
| 565 | V | 86.1 | Confident | 91.6 | Very high | 133 Ų | 133 | 80.5 Ų | 80.5 | 81% | 0.806 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -61.3 | -26.2 | -178.8 | -173.7 | 0 | 0 | 0 | 0 | 112.9 | P563 | P563-V565 VanDerWaalsContact C-N 3.31Å; P563-V565 PolarHBondContact O-N 3.24Å; P563-V565 VanDerWaalsContact O-N 3.16Å |
| 566 | L | 87 | Confident | 91.6 | Very high | 66 Ų | 66 | 81.7 Ų | 81.7 | 35% | 0.346 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -99.9 | -9.9 | -177 | -56.1 | -178.6 | 0 | 0 | 0 | 112.9 | T562 P563 D564 V568 F569 M570 | T562-L566 HydrophobicContact CG2-CB 3.94Å; P563-L566 PolarHBondContact O-N 3.19Å; D564-L566 PolarHBondContact O-N 3.44Å; D564-L566 VanDerWaalsContact O-N 3.15Å; L566-V568 PolarHBondContact O-N 2.98Å; L566-V568 VanDerWaalsContact O-N 3.16Å; L566-F569 HydrophobicContact CB-CE1 4.39Å; L566-F569 HydrophobicContact CB-CZ 4.45Å; L566-F569 HydrophobicContact CD2-CE1 3.82Å; L566-F569 HydrophobicContact CD2-CZ 3.75Å; L566-F569 PolarHBondContact O-N 3.47Å; L566-M570 HydrophobicContact CB-CB 4.09Å; L566-M570 WeakPolarHBondContact O-CB 3.23Å; L566-M570 PolarHBondContact O-N 3.23Å |
| 567 | K | 86.5 | Confident | 91.7 | Very high | 73 Ų | 73 | 78 Ų | 78 | 32% | 0.317 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -54.9 | -38.6 | -172.2 | -76.5 | -175.3 | 174.2 | 167.2 | 0 | 113.3 | T562 P563 D564 F569 I571 | T562-K567 HydrophobicContact CG2-CG 4Å; T562-K567 WeakPolarHBondContact O-CE 3.49Å; P563-K567 PolarHBondContact O-N 3.18Å; D564-K567 WeakPolarHBondContact O-CB 3.43Å; D564-K567 PolarHBondContact O-N 3.31Å; D564-K567 WeakPolarHBondContact OD1-CE 3.26Å; D564-K567 IonicContact OD1-NZ 3.49Å; D564-K567 PolarHBondContact OD1-NZ 3.08Å; K567-F569 PolarHBondContact O-N 3.11Å; K567-I571 HydrophobicContact CB-CD1 3.75Å; K567-I571 HydrophobicContact CB-CG1 4.46Å; K567-I571 HydrophobicContact CD-CD1 4.26Å; K567-I571 HydrophobicContact CG-CD1 3.75Å; K567-I571 WeakPolarHBondContact O-CB 3.48Å; K567-I571 PolarHBondContact O-N 3.2Å |
| 568 | V | 83.6 | Confident | 91.7 | Very high | 129 Ų | 129 | 75.4 Ų | 75.4 | 78% | 0.782 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55.4 | -46.3 | -174.5 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | L566 P572 | L566-V568 PolarHBondContact O-N 2.98Å; L566-V568 VanDerWaalsContact O-N 3.16Å; V568-P572 WeakPolarHBondContact O-CD 3.49Å |
| 569 | F | 86.4 | Confident | 91.9 | Very high | 115 Ų | 115 | 72.7 Ų | 72.7 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -107.8 | -31.5 | -177.8 | 70.9 | -90.5 | 0 | 0 | 0 | 112.9 | L566 K567 P572 F573 | L566-F569 HydrophobicContact CB-CE1 4.39Å; L566-F569 HydrophobicContact CB-CZ 4.45Å; L566-F569 HydrophobicContact CD2-CE1 3.82Å; L566-F569 HydrophobicContact CD2-CZ 3.75Å; L566-F569 PolarHBondContact O-N 3.47Å; K567-F569 PolarHBondContact O-N 3.11Å; F569-P572 WeakPolarHBondContact O-CD 3.37Å; F569-F573 WeakPolarHBondContact O-CB 3.27Å; F569-F573 PolarHBondContact O-N 3.32Å |
| 570 | M | 92.1 | Very high | 92 | Very high | 52 Ų | 52 | 70.3 Ų | 70.3 | 26% | 0.256 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.5 | -34 | -173.8 | -169 | 64.1 | 69.7 | 0 | 0 | 112.4 | W558 T562 L566 G574 | W558-M570 HydrophobicContact CE3-CG 4.41Å; W558-M570 HydrophobicContact CZ3-CG 4.26Å; T562-M570 HydrophobicContact CG2-CB 3.82Å; T562-M570 HydrophobicContact CG2-CG 4.03Å; L566-M570 HydrophobicContact CB-CB 4.09Å; L566-M570 WeakPolarHBondContact O-CB 3.23Å; L566-M570 PolarHBondContact O-N 3.23Å; M570-G574 WeakPolarHBondContact O-CA 3.28Å; M570-G574 PolarHBondContact O-N 3.13Å |
| 571 | I | 93.5 | Very high | 92.1 | Very high | 22 Ų | 22 | 63.5 Ų | 63.5 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.7 | -52.9 | 177.4 | -65.7 | 168.6 | 0 | 0 | 0 | 110.7 | E555 W558 K559 T562 K567 T575 | E555-I571 HydrophobicContact CG-CG2 4.15Å; W558-I571 HydrophobicContact CB-CG1 4.34Å; W558-I571 HydrophobicContact CB-CG2 4.38Å; K559-I571 HydrophobicContact CG-CD1 3.9Å; K559-I571 HydrophobicContact CG-CG2 4.23Å; T562-I571 HydrophobicContact CG2-CG1 4.34Å; K567-I571 HydrophobicContact CB-CD1 3.75Å; K567-I571 HydrophobicContact CB-CG1 4.46Å; K567-I571 HydrophobicContact CD-CD1 4.26Å; K567-I571 HydrophobicContact CG-CD1 3.75Å; K567-I571 WeakPolarHBondContact O-CB 3.48Å; K567-I571 PolarHBondContact O-N 3.2Å; I571-T575 WeakPolarHBondContact O-CB 3.11Å; I571-T575 PolarHBondContact O-N 3.23Å; I571-T575 PolarHBondContact O-OG1 2.9Å |
| 572 | P | 92.6 | Very high | 92.2 | Very high | 49 Ų | 49 | 60 Ų | 60 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 177.1 | -23.4 | 33.7 | 0 | 0 | 0 | 112.4 | I502 V568 F569 T575 L576 | I502-P572 HydrophobicContact CD1-CB 4.06Å; I502-P572 HydrophobicContact CG1-CB 4.31Å; V568-P572 WeakPolarHBondContact O-CD 3.49Å; F569-P572 WeakPolarHBondContact O-CD 3.37Å; P572-T575 PolarHBondContact O-N 2.91Å; P572-L576 WeakPolarHBondContact O-CB 3.35Å; P572-L576 PolarHBondContact O-N 3.49Å |
| 573 | F | 94.4 | Very high | 92.4 | Very high | 126 Ų | 126 | 59.5 Ų | 59.5 | 55% | 0.553 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.2 | -48.9 | -177.8 | -179.8 | -107.5 | 0 | 0 | 0 | 112.4 | F569 T575 L576 L577 | F569-F573 WeakPolarHBondContact O-CB 3.27Å; F569-F573 PolarHBondContact O-N 3.32Å; F573-T575 VanDerWaalsContact C-N 3.33Å; F573-T575 PolarHBondContact O-N 3.17Å; F573-L576 PolarHBondContact O-N 2.68Å; F573-L577 HydrophobicContact CE1-CD1 3.88Å; F573-L577 HydrophobicContact CZ-CD1 3.98Å; F573-L577 WeakPolarHBondContact O-CB 3.46Å; F573-L577 PolarHBondContact O-N 3Å |
| 574 | G | 96.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W558 M570 L577 V578 | W558-G574 PolarHBondContact NE1-O 3.48Å; M570-G574 WeakPolarHBondContact O-CA 3.28Å; M570-G574 PolarHBondContact O-N 3.13Å; G574-L577 PolarHBondContact O-N 3.17Å; G574-V578 PolarHBondContact O-N 3.27Å |
| 575 | T | 97.5 | Very high | 93 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 174.6 | -59 | 0 | 0 | 0 | 0 | 110.3 | I502 M551 V554 E555 I571 P572 F573 L577 V578 M579 | I502-T575 HydrophobicContact CG2-CG2 4.41Å; M551-T575 HydrophobicContact CE-CG2 4.23Å; M551-T575 HydrophobicContact CG-CG2 3.88Å; V554-T575 HydrophobicContact CG1-CG2 4.19Å; E555-T575 HydrophobicContact CB-CG2 4.1Å; I571-T575 WeakPolarHBondContact O-CB 3.11Å; I571-T575 PolarHBondContact O-N 3.23Å; I571-T575 PolarHBondContact O-OG1 2.9Å; P572-T575 PolarHBondContact O-N 2.91Å; F573-T575 VanDerWaalsContact C-N 3.33Å; F573-T575 PolarHBondContact O-N 3.17Å; T575-L577 PolarHBondContact O-N 3.42Å; T575-V578 PolarHBondContact O-N 3.28Å; T575-M579 HydrophobicContact CG2-CG 4.11Å; T575-M579 VanDerWaalsContact O-CB 3.28Å; T575-M579 WeakPolarHBondContact O-CB 3.18Å; T575-M579 WeakPolarHBondContact O-CG 3.39Å; T575-M579 PolarHBondContact O-N 2.93Å |
| 576 | L | 96.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.183 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 179.3 | -173.8 | 65.2 | 0 | 0 | 0 | 112.1 | L505 L506 P572 F573 V578 M579 I580 | L505-L576 HydrophobicContact CD2-CD1 4.1Å; L505-L576 HydrophobicContact CD2-CD2 3.82Å; L506-L576 HydrophobicContact CD2-CD1 3.84Å; L506-L576 HydrophobicContact CG-CD1 4.34Å; P572-L576 WeakPolarHBondContact O-CB 3.35Å; P572-L576 PolarHBondContact O-N 3.49Å; F573-L576 PolarHBondContact O-N 2.68Å; L576-V578 VanDerWaalsContact C-N 3.28Å; L576-V578 PolarHBondContact O-N 3.21Å; L576-M579 PolarHBondContact O-N 3.39Å; L576-M579 VanDerWaalsContact O-N 3.11Å; L576-I580 HydrophobicContact CD1-CD1 4.2Å; L576-I580 HydrophobicContact CD1-CG1 4.03Å; L576-I580 HydrophobicContact CD2-CD1 4.43Å; L576-I580 HydrophobicContact CG-CD1 3.85Å; L576-I580 HydrophobicContact CG-CG1 4.15Å; L576-I580 WeakPolarHBondContact O-CG1 3.31Å; L576-I580 PolarHBondContact O-N 2.62Å |
| 577 | L | 96.1 | Very high | 93.6 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 40% | 0.398 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.5 | -38.8 | -179.6 | -172.4 | 148.3 | 0 | 0 | 0 | 112.5 | F573 G574 T575 P581 | F573-L577 HydrophobicContact CE1-CD1 3.88Å; F573-L577 HydrophobicContact CZ-CD1 3.98Å; F573-L577 WeakPolarHBondContact O-CB 3.46Å; F573-L577 PolarHBondContact O-N 3Å; G574-L577 PolarHBondContact O-N 3.17Å; T575-L577 PolarHBondContact O-N 3.42Å; L577-P581 VanDerWaalsContact O-CD 3.24Å; L577-P581 WeakPolarHBondContact O-CD 3.18Å |
| 578 | V | 97.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 30% | 0.303 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -79.5 | -36.8 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | V554 W558 G574 T575 L576 P581 L582 | V554-V578 HydrophobicContact CG1-CB 3.8Å; V554-V578 HydrophobicContact CG1-CG1 3.85Å; V554-V578 HydrophobicContact CG1-CG2 4.44Å; V554-V578 HydrophobicContact CG2-CG1 3.92Å; W558-V578 HydrophobicContact CZ2-CG2 4.3Å; G574-V578 PolarHBondContact O-N 3.27Å; T575-V578 PolarHBondContact O-N 3.28Å; L576-V578 VanDerWaalsContact C-N 3.28Å; L576-V578 PolarHBondContact O-N 3.21Å; V578-P581 WeakPolarHBondContact O-CD 3.22Å; V578-P581 WeakPolarHBondContact O-CG 3.18Å; V578-L582 HydrophobicContact CG1-CD1 3.9Å; V578-L582 WeakPolarHBondContact O-CG 3.3Å |
| 579 | M | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.8 | -29.8 | -175.5 | -73.5 | -53.7 | -55.5 | 0 | 0 | 113.8 | L506 T547 A550 M551 V554 T575 L576 L582 T583 | L506-M579 HydrophobicContact CD1-CB 3.86Å; L506-M579 HydrophobicContact CD1-CE 4.32Å; L506-M579 HydrophobicContact CD1-CG 4.24Å; L506-M579 HydrophobicContact CD2-CB 3.92Å; T547-M579 HydrophobicContact CG2-CE 3.61Å; T547-M579 WeakPolarHBondContact O-CE 3.36Å; A550-M579 HydrophobicContact CB-CE 4.07Å; A550-M579 HydrophobicContact CB-SD 4.31Å; M551-M579 VanDerWaalsContact CA-SD 3.6Å; M551-M579 HydrophobicContact CB-CE 4Å; M551-M579 HydrophobicContact CB-CG 4.23Å; M551-M579 HydrophobicContact CB-SD 4Å; M551-M579 HydrophobicContact CG-CG 4.3Å; V554-M579 HydrophobicContact CB-SD 4.14Å; V554-M579 HydrophobicContact CG1-CG 4.35Å; V554-M579 HydrophobicContact CG1-SD 4.49Å; V554-M579 HydrophobicContact CG2-SD 3.82Å; T575-M579 HydrophobicContact CG2-CG 4.11Å; T575-M579 VanDerWaalsContact O-CB 3.28Å; T575-M579 WeakPolarHBondContact O-CB 3.18Å; T575-M579 WeakPolarHBondContact O-CG 3.39Å; T575-M579 PolarHBondContact O-N 2.93Å; L576-M579 PolarHBondContact O-N 3.39Å; L576-M579 VanDerWaalsContact O-N 3.11Å; M579-L582 PolarHBondContact O-N 3.47Å; M579-L582 HydrophobicContact SD-CD1 4.05Å; M579-T583 WeakPolarHBondContact O-CB 3.2Å; M579-T583 PolarHBondContact O-N 2.98Å; M579-T583 PolarHBondContact O-OG1 2.8Å |
| 580 | I | 96.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 36.1 Ų | 36.1 | 21% | 0.205 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.4 | -57.6 | 176.7 | -74.5 | 167.2 | 0 | 0 | 0 | 112.2 | V527 L576 L582 T583 L584 | V527-I580 HydrophobicContact CG1-CG2 3.77Å; L576-I580 HydrophobicContact CD1-CD1 4.2Å; L576-I580 HydrophobicContact CD1-CG1 4.03Å; L576-I580 HydrophobicContact CD2-CD1 4.43Å; L576-I580 HydrophobicContact CG-CD1 3.85Å; L576-I580 HydrophobicContact CG-CG1 4.15Å; L576-I580 WeakPolarHBondContact O-CG1 3.31Å; L576-I580 PolarHBondContact O-N 2.62Å; I580-L582 PolarHBondContact O-N 2.77Å; I580-T583 PolarHBondContact O-N 3.2Å; I580-L584 HydrophobicContact CG2-CD1 4.22Å; I580-L584 WeakPolarHBondContact O-CB 3.35Å; I580-L584 WeakPolarHBondContact O-CG 3.23Å; I580-L584 PolarHBondContact O-N 3.43Å |
| 581 | P | 94.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 14% | 0.143 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 179.6 | 25.1 | -34.1 | 0 | 0 | 0 | 112 | V527 Y528 L577 V578 T583 V585 | V527-P581 HydrophobicContact CG1-CB 4.07Å; Y528-P581 HydrophobicContact CD2-CB 4.12Å; Y528-P581 HydrophobicContact CD2-CG 3.86Å; Y528-P581 HydrophobicContact CE2-CG 3.93Å; L577-P581 VanDerWaalsContact O-CD 3.24Å; L577-P581 WeakPolarHBondContact O-CD 3.18Å; V578-P581 WeakPolarHBondContact O-CD 3.22Å; V578-P581 WeakPolarHBondContact O-CG 3.18Å; P581-T583 PolarHBondContact O-N 3.37Å; P581-V585 WeakPolarHBondContact O-CA 3.32Å; P581-V585 WeakPolarHBondContact O-CB 3.39Å; P581-V585 WeakPolarHBondContact O-CG2 3.38Å; P581-V585 PolarHBondContact O-N 3.12Å |
| 582 | L | 95.8 | Very high | 91.7 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 29% | 0.288 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -62.7 | -44.3 | 177 | -72.3 | 176.8 | 0 | 0 | 0 | 112.3 | V554 V578 M579 I580 V586 F587 | V554-L582 HydrophobicContact CG2-CD1 4.3Å; V578-L582 HydrophobicContact CG1-CD1 3.9Å; V578-L582 WeakPolarHBondContact O-CG 3.3Å; M579-L582 PolarHBondContact O-N 3.47Å; M579-L582 HydrophobicContact SD-CD1 4.05Å; I580-L582 PolarHBondContact O-N 2.77Å; L582-V586 HydrophobicContact CD2-CG2 4.33Å; L582-V586 CarbonylContact O-C 3.51Å; L582-V586 WeakPolarHBondContact O-CA 3.17Å; L582-V586 VanDerWaalsContact O-CB 3.25Å; L582-V586 WeakPolarHBondContact O-CB 3.45Å; L582-V586 PolarHBondContact O-N 3.27Å; L582-V586 VanDerWaalsContact O-N 3.11Å; L582-F587 HydrophobicContact CB-CD2 4.2Å; L582-F587 HydrophobicContact CB-CE2 3.88Å; L582-F587 WeakPolarHBondContact O-CD2 3.5Å; L582-F587 PolarHBondContact O-N 3.49Å |
| 583 | T | 95.1 | Very high | 91 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -65.8 | -49.9 | -179.7 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | L510 T547 M579 I580 P581 G588 | L510-T583 HydrophobicContact CD1-CG2 4.04Å; L510-T583 HydrophobicContact CD2-CG2 3.96Å; L510-T583 HydrophobicContact CG-CG2 4.02Å; T547-T583 HydrophobicContact CG2-CG2 3.92Å; T547-T583 VanDerWaalsContact CG2-OG1 3.23Å; T547-T583 WeakPolarHBondContact CG2-OG1 3.06Å; M579-T583 WeakPolarHBondContact O-CB 3.2Å; M579-T583 PolarHBondContact O-N 2.98Å; M579-T583 PolarHBondContact O-OG1 2.8Å; I580-T583 PolarHBondContact O-N 3.2Å; P581-T583 PolarHBondContact O-N 3.37Å; T583-G588 WeakPolarHBondContact O-CA 3.44Å; T583-G588 PolarHBondContact O-N 2.86Å |
| 584 | L | 93.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -83.7 | -31.5 | -171.6 | -63 | -176.7 | 0 | 0 | 0 | 114.4 | V509 L510 F515 V527 T532 I580 P589 | V509-L584 HydrophobicContact CG1-CD1 4.32Å; V509-L584 HydrophobicContact CG1-CD2 4.31Å; L510-L584 HydrophobicContact CD2-CD2 3.71Å; F515-L584 HydrophobicContact CE1-CD2 3.95Å; F515-L584 HydrophobicContact CE2-CD1 4.29Å; F515-L584 HydrophobicContact CE2-CD2 4.38Å; F515-L584 HydrophobicContact CZ-CD1 4.36Å; F515-L584 HydrophobicContact CZ-CD2 3.66Å; F515-L584 HydrophobicContact CZ-CG 4.47Å; V527-L584 HydrophobicContact CG2-CB 3.92Å; V527-L584 HydrophobicContact CG2-CD1 3.91Å; T532-L584 PolarHBondContact OG1-O 2.83Å; I580-L584 HydrophobicContact CG2-CD1 4.22Å; I580-L584 WeakPolarHBondContact O-CB 3.35Å; I580-L584 WeakPolarHBondContact O-CG 3.23Å; I580-L584 PolarHBondContact O-N 3.43Å; L584-P589 WeakPolarHBondContact O-CD 3.2Å |
| 585 | V | 93.4 | Very high | 89.1 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 22% | 0.218 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -95.5 | -31.8 | -177 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | V527 L530 P581 | V527-V585 HydrophobicContact CB-CG2 3.83Å; V527-V585 HydrophobicContact CG2-CG2 4.18Å; L530-V585 HydrophobicContact CB-CG1 4.33Å; L530-V585 HydrophobicContact CB-CG2 4.18Å; P581-V585 WeakPolarHBondContact O-CA 3.32Å; P581-V585 WeakPolarHBondContact O-CB 3.39Å; P581-V585 WeakPolarHBondContact O-CG2 3.38Å; P581-V585 PolarHBondContact O-N 3.12Å |
| 586 | V | 93.5 | Very high | 88.1 | Confident | 66 Ų | 66 | 37.7 Ų | 37.7 | 40% | 0.4 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -107.4 | -69.5 | -174.5 | -170.9 | 0 | 0 | 0 | 0 | 111 | L582 L590 | L582-V586 HydrophobicContact CD2-CG2 4.33Å; L582-V586 CarbonylContact O-C 3.51Å; L582-V586 WeakPolarHBondContact O-CA 3.17Å; L582-V586 VanDerWaalsContact O-CB 3.25Å; L582-V586 WeakPolarHBondContact O-CB 3.45Å; L582-V586 PolarHBondContact O-N 3.27Å; L582-V586 VanDerWaalsContact O-N 3.11Å; V586-L590 WeakPolarHBondContact O-CB 3.39Å; V586-L590 PolarHBondContact O-N 2.63Å |
| 587 | F | 92.5 | Very high | 87.4 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -73.6 | -33 | -166.2 | -60 | -55.1 | 0 | 0 | 0 | 114.4 | L546 A550 L582 L590 G591 | L546-F587 HydrophobicContact CB-CB 4.32Å; L546-F587 HydrophobicContact CB-CD1 3.75Å; L546-F587 HydrophobicContact CB-CE1 4.37Å; L546-F587 HydrophobicContact CB-CG 4.13Å; L546-F587 HydrophobicContact CD1-CD1 4.36Å; A550-F587 HydrophobicContact CB-CD2 4.32Å; A550-F587 HydrophobicContact CB-CE2 3.28Å; A550-F587 HydrophobicContact CB-CZ 3.47Å; A550-F587 VanDerWaalsContact CB-CZ 3.47Å; L582-F587 HydrophobicContact CB-CD2 4.2Å; L582-F587 HydrophobicContact CB-CE2 3.88Å; L582-F587 WeakPolarHBondContact O-CD2 3.5Å; L582-F587 PolarHBondContact O-N 3.49Å; F587-L590 HydrophobicContact CD1-CD2 4.42Å; F587-G591 PolarHBondContact O-N 2.86Å |
| 588 | G | 88 | Confident | 86.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.6 | -67.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T583 L590 G591 | T583-G588 WeakPolarHBondContact O-CA 3.44Å; T583-G588 PolarHBondContact O-N 2.86Å; G588-L590 VanDerWaalsContact C-N 3.26Å; G588-L590 PolarHBondContact O-N 3.14Å; G588-G591 PolarHBondContact O-N 2.7Å |
| 589 | P | 86.5 | Confident | 85.4 | Confident | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -32.7 | -178.9 | -26.4 | 35.8 | 0 | 0 | 0 | 113.9 | M533 L584 G591 G592 F593 | M533-P589 HydrophobicContact CB-CB 4.36Å; M533-P589 HydrophobicContact CB-CG 4.33Å; L584-P589 WeakPolarHBondContact O-CD 3.2Å; P589-G591 VanDerWaalsContact C-N 3.28Å; P589-G591 PolarHBondContact O-N 3.48Å; P589-G592 PolarHBondContact O-N 3.22Å; P589-F593 WeakPolarHBondContact O-CB 2.98Å; P589-F593 PolarHBondContact O-N 2.78Å |
| 590 | L | 83.9 | Confident | 84.6 | Confident | 63 Ų | 63 | 44 Ų | 44 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -37.3 | 179.9 | -174.7 | 68.6 | 0 | 0 | 0 | 111.9 | L546 V586 F587 G588 F593 I594 | L546-L590 HydrophobicContact CD1-CD2 3.99Å; V586-L590 WeakPolarHBondContact O-CB 3.39Å; V586-L590 PolarHBondContact O-N 2.63Å; F587-L590 HydrophobicContact CD1-CD2 4.42Å; G588-L590 VanDerWaalsContact C-N 3.26Å; G588-L590 PolarHBondContact O-N 3.14Å; L590-F593 PolarHBondContact O-N 3.3Å; L590-I594 HydrophobicContact CD1-CD1 4.04Å; L590-I594 HydrophobicContact CD1-CG1 4.13Å; L590-I594 HydrophobicContact CD2-CD1 4.39Å; L590-I594 HydrophobicContact CG-CD1 3.77Å; L590-I594 HydrophobicContact CG-CG1 4.26Å; L590-I594 WeakPolarHBondContact O-CG1 3.43Å; L590-I594 PolarHBondContact O-N 3.29Å |
| 591 | G | 70.7 | Confident | 84 | Confident | 10 Ų | 10 | 45 Ų | 45 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F587 G588 P589 G595 | F587-G591 PolarHBondContact O-N 2.86Å; G588-G591 PolarHBondContact O-N 2.7Å; P589-G591 VanDerWaalsContact C-N 3.28Å; P589-G591 PolarHBondContact O-N 3.48Å; G591-G595 PolarHBondContact O-N 2.83Å; G591-G595 VanDerWaalsContact O-N 3.12Å |
| 592 | G | 73.1 | Confident | 83.3 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P589 G595 V596 | P589-G592 PolarHBondContact O-N 3.22Å; G592-G595 WeakPolarHBondContact O-CA 3.17Å; G592-G595 PolarHBondContact O-N 2.72Å; G592-V596 WeakPolarHBondContact O-CG2 2.98Å; G592-V596 PolarHBondContact O-N 2.87Å |
| 593 | F | 79 | Confident | 82.4 | Confident | 116 Ų | 116 | 44.4 Ų | 44.4 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.4 | -54 | 177.8 | -175.9 | -88.7 | 0 | 0 | 0 | 111.5 | P589 L590 G595 V596 Y597 | P589-F593 WeakPolarHBondContact O-CB 2.98Å; P589-F593 PolarHBondContact O-N 2.78Å; L590-F593 PolarHBondContact O-N 3.3Å; F593-G595 PolarHBondContact O-N 3.18Å; F593-V596 PolarHBondContact O-N 3.39Å; F593-Y597 AromaticContact CD1-CD2 3.82Å; F593-Y597 HydrophobicContact CD1-CD2 3.82Å; F593-Y597 AromaticContact CD1-CE2 3.93Å; F593-Y597 HydrophobicContact CD1-CE2 3.93Å; F593-Y597 HydrophobicContact CD2-CD2 4.34Å; F593-Y597 AromaticContact CD2-CE2 3.77Å; F593-Y597 HydrophobicContact CD2-CE2 3.77Å; F593-Y597 AromaticContact CE1-CD2 3.58Å; F593-Y597 HydrophobicContact CE1-CD2 3.58Å; F593-Y597 AromaticContact CE1-CE2 3.43Å; F593-Y597 HydrophobicContact CE1-CE2 3.43Å; F593-Y597 VanDerWaalsContact CE1-CE2 3.43Å; F593-Y597 HydrophobicContact CE2-CD2 4.17Å; F593-Y597 AromaticContact CE2-CE2 3.29Å; F593-Y597 HydrophobicContact CE2-CE2 3.29Å; F593-Y597 HydrophobicContact CG-CD2 4.2Å; F593-Y597 HydrophobicContact CG-CE2 4.08Å; F593-Y597 AromaticContact CZ-CD2 3.78Å; F593-Y597 HydrophobicContact CZ-CD2 3.78Å; F593-Y597 AromaticContact CZ-CE2 3.09Å; F593-Y597 HydrophobicContact CZ-CE2 3.09Å; F593-Y597 AromaticContact CZ-CZ 3.71Å; F593-Y597 VanDerWaalsContact O-CD2 3.29Å; F593-Y597 WeakPolarHBondContact O-CD2 3.31Å; F593-Y597 PolarHBondContact O-N 3.29Å |
| 594 | I | 78.7 | Confident | 81.9 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 179.3 | -58.7 | 168.2 | 0 | 0 | 0 | 110.1 | L542 L590 Y597 I598 M629 | L542-I594 HydrophobicContact CD2-CD1 4.49Å; L590-I594 HydrophobicContact CD1-CD1 4.04Å; L590-I594 HydrophobicContact CD1-CG1 4.13Å; L590-I594 HydrophobicContact CD2-CD1 4.39Å; L590-I594 HydrophobicContact CG-CD1 3.77Å; L590-I594 HydrophobicContact CG-CG1 4.26Å; L590-I594 WeakPolarHBondContact O-CG1 3.43Å; L590-I594 PolarHBondContact O-N 3.29Å; I594-Y597 PolarHBondContact O-N 2.84Å; I594-I598 HydrophobicContact CG2-CD1 3.86Å; I594-I598 HydrophobicContact CG2-CG1 4.3Å; I594-I598 WeakPolarHBondContact O-CG1 3.18Å; I594-I598 PolarHBondContact O-N 3.16Å; I594-M629 HydrophobicContact CB-CE 3.89Å; I594-M629 HydrophobicContact CG2-CE 3.64Å; I594-M629 HydrophobicContact CG2-SD 4.48Å |
| 595 | G | 71.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.3 | -58.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | G591 G592 F593 Y597 I598 G599 V632 | G591-G595 PolarHBondContact O-N 2.83Å; G591-G595 VanDerWaalsContact O-N 3.12Å; G592-G595 WeakPolarHBondContact O-CA 3.17Å; G592-G595 PolarHBondContact O-N 2.72Å; F593-G595 PolarHBondContact O-N 3.18Å; G595-Y597 PolarHBondContact O-N 2.99Å; G595-I598 PolarHBondContact O-N 3.33Å; G595-G599 PolarHBondContact O-N 3.5Å; G595-V632 WeakPolarHBondContact O-CG1 3.42Å |
| 596 | V | 75.8 | Confident | 81 | Confident | 76 Ų | 76 | 47.1 Ų | 47.1 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.4 | -47.5 | -178.3 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | G592 F593 I598 G599 E600 | G592-V596 WeakPolarHBondContact O-CG2 2.98Å; G592-V596 PolarHBondContact O-N 2.87Å; F593-V596 PolarHBondContact O-N 3.39Å; V596-I598 PolarHBondContact O-N 3.01Å; V596-G599 WeakPolarHBondContact O-CA 3.29Å; V596-G599 PolarHBondContact O-N 3.44Å; V596-G599 VanDerWaalsContact O-N 3.12Å; V596-E600 HydrophobicContact CG1-CG 4.43Å; V596-E600 PolarHBondContact O-N 3.49Å |
| 597 | Y | 81.7 | Confident | 80.4 | Confident | 122 Ų | 122 | 48.9 Ų | 48.9 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.5 | -33.5 | -179.6 | -78.4 | -82.4 | 0 | 0 | 0 | 113.5 | F593 I594 G595 G599 A601 | F593-Y597 AromaticContact CD1-CD2 3.82Å; F593-Y597 HydrophobicContact CD1-CD2 3.82Å; F593-Y597 AromaticContact CD1-CE2 3.93Å; F593-Y597 HydrophobicContact CD1-CE2 3.93Å; F593-Y597 HydrophobicContact CD2-CD2 4.34Å; F593-Y597 AromaticContact CD2-CE2 3.77Å; F593-Y597 HydrophobicContact CD2-CE2 3.77Å; F593-Y597 AromaticContact CE1-CD2 3.58Å; F593-Y597 HydrophobicContact CE1-CD2 3.58Å; F593-Y597 AromaticContact CE1-CE2 3.43Å; F593-Y597 HydrophobicContact CE1-CE2 3.43Å; F593-Y597 VanDerWaalsContact CE1-CE2 3.43Å; F593-Y597 HydrophobicContact CE2-CD2 4.17Å; F593-Y597 AromaticContact CE2-CE2 3.29Å; F593-Y597 HydrophobicContact CE2-CE2 3.29Å; F593-Y597 HydrophobicContact CG-CD2 4.2Å; F593-Y597 HydrophobicContact CG-CE2 4.08Å; F593-Y597 AromaticContact CZ-CD2 3.78Å; F593-Y597 HydrophobicContact CZ-CD2 3.78Å; F593-Y597 AromaticContact CZ-CE2 3.09Å; F593-Y597 HydrophobicContact CZ-CE2 3.09Å; F593-Y597 AromaticContact CZ-CZ 3.71Å; F593-Y597 VanDerWaalsContact O-CD2 3.29Å; F593-Y597 WeakPolarHBondContact O-CD2 3.31Å; F593-Y597 PolarHBondContact O-N 3.29Å; I594-Y597 PolarHBondContact O-N 2.84Å; G595-Y597 PolarHBondContact O-N 2.99Å; Y597-G599 VanDerWaalsContact C-N 3.33Å; Y597-A601 VanDerWaalsContact O-CB 3.23Å; Y597-A601 WeakPolarHBondContact O-CB 3.21Å; Y597-A601 PolarHBondContact O-N 3.49Å |
| 598 | I | 78.5 | Confident | 80 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 30% | 0.297 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 171.7 | -71.6 | 177.6 | 0 | 0 | 0 | 109.8 | I594 G595 V596 A601 L602 M629 | I594-I598 HydrophobicContact CG2-CD1 3.86Å; I594-I598 HydrophobicContact CG2-CG1 4.3Å; I594-I598 WeakPolarHBondContact O-CG1 3.18Å; I594-I598 PolarHBondContact O-N 3.16Å; G595-I598 PolarHBondContact O-N 3.33Å; V596-I598 PolarHBondContact O-N 3.01Å; I598-A601 PolarHBondContact O-N 2.76Å; I598-L602 HydrophobicContact CG2-CD1 3.83Å; I598-L602 HydrophobicContact CG2-CG 4.4Å; I598-L602 WeakPolarHBondContact O-CB 3.26Å; I598-L602 VanDerWaalsContact O-CG 3.24Å; I598-L602 WeakPolarHBondContact O-CG 3.46Å; I598-L602 PolarHBondContact O-N 3.23Å; I598-M629 HydrophobicContact CD1-CE 3.62Å; I598-M629 HydrophobicContact CD1-SD 4.16Å |
| 599 | G | 74.4 | Confident | 79.7 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.4 | -54.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G595 V596 Y597 A601 L602 I603 | G595-G599 PolarHBondContact O-N 3.5Å; V596-G599 WeakPolarHBondContact O-CA 3.29Å; V596-G599 PolarHBondContact O-N 3.44Å; V596-G599 VanDerWaalsContact O-N 3.12Å; Y597-G599 VanDerWaalsContact C-N 3.33Å; G599-A601 VanDerWaalsContact C-N 3.35Å; G599-A601 PolarHBondContact O-N 2.85Å; G599-L602 PolarHBondContact O-N 2.79Å; G599-I603 VanDerWaalsContact O-CD1 3.3Å; G599-I603 WeakPolarHBondContact O-CD1 3.31Å; G599-I603 WeakPolarHBondContact O-CG1 3.29Å; G599-I603 PolarHBondContact O-N 3.27Å |
| 600 | E | 81.1 | Confident | 79.6 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 178.4 | -71.4 | -177.8 | 174 | 0 | 0 | 113 | V596 L602 I603 A604 | V596-E600 HydrophobicContact CG1-CG 4.43Å; V596-E600 PolarHBondContact O-N 3.49Å; E600-L602 PolarHBondContact O-N 3.02Å; E600-I603 PolarHBondContact O-N 3.16Å; E600-A604 WeakPolarHBondContact O-CB 3.49Å; E600-A604 PolarHBondContact O-N 3.11Å |
| 601 | A | 82.7 | Confident | 79.8 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 51% | 0.512 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y597 I598 G599 A604 L605 | Y597-A601 VanDerWaalsContact O-CB 3.23Å; Y597-A601 WeakPolarHBondContact O-CB 3.21Å; Y597-A601 PolarHBondContact O-N 3.49Å; I598-A601 PolarHBondContact O-N 2.76Å; G599-A601 VanDerWaalsContact C-N 3.35Å; G599-A601 PolarHBondContact O-N 2.85Å; A601-A604 PolarHBondContact O-N 2.93Å; A601-L605 WeakPolarHBondContact O-CB 3.25Å; A601-L605 PolarHBondContact O-N 3.47Å |
| 602 | L | 80.9 | Confident | 80.7 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 176.1 | -75.1 | 174.6 | 0 | 0 | 0 | 111.4 | I598 G599 E600 L605 N606 V616 V617 L633 F649 | I598-L602 HydrophobicContact CG2-CD1 3.83Å; I598-L602 HydrophobicContact CG2-CG 4.4Å; I598-L602 WeakPolarHBondContact O-CB 3.26Å; I598-L602 VanDerWaalsContact O-CG 3.24Å; I598-L602 WeakPolarHBondContact O-CG 3.46Å; I598-L602 PolarHBondContact O-N 3.23Å; G599-L602 PolarHBondContact O-N 2.79Å; E600-L602 PolarHBondContact O-N 3.02Å; L602-L605 WeakPolarHBondContact O-CB 3.23Å; L602-L605 PolarHBondContact O-N 3.07Å; L602-N606 PolarHBondContact O-N 2.85Å; L602-V616 HydrophobicContact CD2-CG1 3.78Å; L602-V617 HydrophobicContact CD1-CG2 4.5Å; L602-V617 HydrophobicContact CD2-CG2 4.17Å; L602-L633 HydrophobicContact CD1-CD2 3.52Å; L602-F649 HydrophobicContact CB-CZ 3.94Å; L602-F649 WeakPolarHBondContact O-CZ 3.24Å |
| 603 | I | 75.8 | Confident | 81.5 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 26% | 0.256 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 175.7 | -64 | 159.1 | 0 | 0 | 0 | 111.2 | G599 E600 L605 N606 T607 Y636 F649 | G599-I603 VanDerWaalsContact O-CD1 3.3Å; G599-I603 WeakPolarHBondContact O-CD1 3.31Å; G599-I603 WeakPolarHBondContact O-CG1 3.29Å; G599-I603 PolarHBondContact O-N 3.27Å; E600-I603 PolarHBondContact O-N 3.16Å; I603-L605 VanDerWaalsContact C-N 3.3Å; I603-L605 PolarHBondContact O-N 3.34Å; I603-N606 PolarHBondContact O-N 2.86Å; I603-T607 PolarHBondContact O-N 2.87Å; I603-T607 PolarHBondContact O-OG1 3.36Å; I603-Y636 HydrophobicContact CB-CE2 4.37Å; I603-Y636 HydrophobicContact CD1-CD2 3.14Å; I603-Y636 HydrophobicContact CD1-CE2 3.33Å; I603-Y636 HydrophobicContact CD1-CG 3.91Å; I603-Y636 HydrophobicContact CG1-CD2 3.62Å; I603-Y636 HydrophobicContact CG1-CE1 4.4Å; I603-Y636 HydrophobicContact CG1-CE2 3.39Å; I603-Y636 HydrophobicContact CG1-CG 4.17Å; I603-Y636 HydrophobicContact CG2-CE2 4.04Å; I603-F649 HydrophobicContact CG1-CE1 4.48Å |
| 604 | A | 84.3 | Confident | 82 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 34% | 0.339 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | E600 A601 N606 T607 F608 | E600-A604 WeakPolarHBondContact O-CB 3.49Å; E600-A604 PolarHBondContact O-N 3.11Å; A601-A604 PolarHBondContact O-N 2.93Å; A604-N606 VanDerWaalsContact C-N 3.32Å; A604-N606 PolarHBondContact O-N 3.43Å; A604-T607 WeakPolarHBondContact O-CB 3.36Å; A604-T607 PolarHBondContact O-N 2.84Å; A604-T607 VanDerWaalsContact O-N 3.08Å; A604-F608 WeakPolarHBondContact O-CD2 3.45Å; A604-F608 PolarHBondContact O-N 3.13Å; A604-F608 VanDerWaalsContact O-N 3.08Å |
| 605 | L | 85 | Confident | 82.6 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 175.5 | -175.9 | 64.4 | 0 | 0 | 0 | 112.2 | A601 L602 I603 T607 F608 A609 L612 A613 V616 | A601-L605 WeakPolarHBondContact O-CB 3.25Å; A601-L605 PolarHBondContact O-N 3.47Å; L602-L605 WeakPolarHBondContact O-CB 3.23Å; L602-L605 PolarHBondContact O-N 3.07Å; I603-L605 VanDerWaalsContact C-N 3.3Å; I603-L605 PolarHBondContact O-N 3.34Å; L605-T607 VanDerWaalsContact C-N 3.25Å; L605-T607 PolarHBondContact O-N 3.35Å; L605-F608 PolarHBondContact O-N 2.92Å; L605-A609 HydrophobicContact CD1-CB 4.48Å; L605-A609 CarbonylContact O-C 3.53Å; L605-A609 PolarHBondContact O-N 3.02Å; L605-L612 HydrophobicContact CD1-CD2 4.16Å; L605-L612 HydrophobicContact CD1-CG 4.47Å; L605-A613 HydrophobicContact CB-CB 4.29Å; L605-A613 HydrophobicContact CD2-CB 4.16Å; L605-A613 HydrophobicContact CG-CB 3.86Å; L605-V616 HydrophobicContact CD2-CB 3.86Å; L605-V616 HydrophobicContact CD2-CG1 4.12Å; L605-V616 HydrophobicContact CD2-CG2 3.72Å |
| 606 | N | 82.9 | Confident | 83.5 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 9% | 0.086 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.6 | -32 | 175.8 | -168.7 | 44.2 | 0 | 0 | 0 | 112.5 | L602 I603 A604 R610 A613 F649 | L602-N606 PolarHBondContact O-N 2.85Å; I603-N606 PolarHBondContact O-N 2.86Å; A604-N606 VanDerWaalsContact C-N 3.32Å; A604-N606 PolarHBondContact O-N 3.43Å; N606-R610 WeakPolarHBondContact O-CG 3.23Å; N606-A613 HydrophobicContact CB-CB 3.77Å; N606-F649 HydrophobicContact CB-CD1 3.89Å; N606-F649 HydrophobicContact CB-CD2 3.88Å; N606-F649 HydrophobicContact CB-CE1 3.81Å; N606-F649 HydrophobicContact CB-CE2 3.84Å; N606-F649 HydrophobicContact CB-CG 3.93Å; N606-F649 HydrophobicContact CB-CZ 3.78Å; N606-F649 VanDerWaalsContact CG-CG 3.42Å; N606-F649 WeakPolarHBondContact ND2-CG 3.44Å |
| 607 | T | 82.2 | Confident | 84.1 | Confident | 103 Ų | 103 | 65 Ų | 65 | 63% | 0.632 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.1 | -42.6 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | I603 A604 L605 | I603-T607 PolarHBondContact O-N 2.87Å; I603-T607 PolarHBondContact O-OG1 3.36Å; A604-T607 WeakPolarHBondContact O-CB 3.36Å; A604-T607 PolarHBondContact O-N 2.84Å; A604-T607 VanDerWaalsContact O-N 3.08Å; L605-T607 VanDerWaalsContact C-N 3.25Å; L605-T607 PolarHBondContact O-N 3.35Å |
| 608 | F | 82.4 | Confident | 84.3 | Confident | 180 Ų | 180 | 60 Ų | 60 | 79% | 0.789 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -83.1 | -34.5 | -178.4 | -67.6 | -68.3 | 0 | 0 | 0 | 114.3 | A604 L605 | A604-F608 WeakPolarHBondContact O-CD2 3.45Å; A604-F608 PolarHBondContact O-N 3.13Å; A604-F608 VanDerWaalsContact O-N 3.08Å; L605-F608 PolarHBondContact O-N 2.92Å |
| 609 | A | 82.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | trans | -151.8 | 74.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L605 L612 A613 | L605-A609 HydrophobicContact CD1-CB 4.48Å; L605-A609 CarbonylContact O-C 3.53Å; L605-A609 PolarHBondContact O-N 3.02Å; A609-L612 HydrophobicContact CB-CB 3.87Å; A609-L612 HydrophobicContact CB-CD2 4.17Å; A609-L612 WeakPolarHBondContact O-CB 3.26Å; A609-L612 PolarHBondContact O-N 3.02Å; A609-L612 VanDerWaalsContact O-N 3.07Å; A609-A613 PolarHBondContact O-N 3.25Å | ||
| 610 | R | 84.8 | Confident | 85.3 | Confident | 168 Ų | 168 | 62.5 Ų | 62.5 | 63% | 0.634 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -47.7 | -53.7 | -173.9 | -60.8 | 172.5 | -174.5 | 177.3 | -0.1 | 114.9 | N606 L612 A613 V614 | N606-R610 WeakPolarHBondContact O-CG 3.23Å; R610-L612 VanDerWaalsContact C-N 3.32Å; R610-L612 PolarHBondContact O-N 2.6Å; R610-A613 PolarHBondContact O-N 3.21Å; R610-V614 PolarHBondContact O-N 2.85Å |
| 611 | P | 88 | Confident | 85.4 | Confident | 101 Ų | 101 | 58.4 Ų | 58.4 | 66% | 0.656 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66 | -36.7 | -178.6 | -19.4 | 33.8 | 0 | 0 | 0 | 112.4 | A613 V614 C615 | P611-A613 VanDerWaalsContact C-N 3.32Å; P611-A613 PolarHBondContact O-N 2.92Å; P611-V614 PolarHBondContact O-N 3.17Å; P611-C615 PolarHBondContact O-N 3.39Å; P611-C615 PolarHBondContact O-SG 3.04Å |
| 612 | L | 89.9 | Confident | 85 | Confident | 98 Ų | 98 | 57.9 Ų | 57.9 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 177.6 | -179.8 | 61.6 | 0 | 0 | 0 | 111 | L605 A609 R610 C615 V616 | L605-L612 HydrophobicContact CD1-CD2 4.16Å; L605-L612 HydrophobicContact CD1-CG 4.47Å; A609-L612 HydrophobicContact CB-CB 3.87Å; A609-L612 HydrophobicContact CB-CD2 4.17Å; A609-L612 WeakPolarHBondContact O-CB 3.26Å; A609-L612 PolarHBondContact O-N 3.02Å; A609-L612 VanDerWaalsContact O-N 3.07Å; R610-L612 VanDerWaalsContact C-N 3.32Å; R610-L612 PolarHBondContact O-N 2.6Å; L612-C615 WeakPolarHBondContact O-CB 3.15Å; L612-C615 PolarHBondContact O-N 2.97Å; L612-V616 HydrophobicContact CD1-CG2 4.35Å; L612-V616 HydrophobicContact CG-CG2 4.43Å; L612-V616 WeakPolarHBondContact O-CG2 3.43Å; L612-V616 PolarHBondContact O-N 2.85Å |
| 613 | A | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L605 N606 A609 R610 P611 C615 V616 V617 F649 | L605-A613 HydrophobicContact CB-CB 4.29Å; L605-A613 HydrophobicContact CD2-CB 4.16Å; L605-A613 HydrophobicContact CG-CB 3.86Å; N606-A613 HydrophobicContact CB-CB 3.77Å; A609-A613 PolarHBondContact O-N 3.25Å; R610-A613 PolarHBondContact O-N 3.21Å; P611-A613 VanDerWaalsContact C-N 3.32Å; P611-A613 PolarHBondContact O-N 2.92Å; A613-C615 VanDerWaalsContact C-N 3.34Å; A613-C615 PolarHBondContact O-N 2.79Å; A613-V616 PolarHBondContact O-N 3.36Å; A613-V617 WeakPolarHBondContact O-CG2 3.24Å; A613-V617 PolarHBondContact O-N 3.08Å; A613-F649 HydrophobicContact CB-CD2 3.94Å; A613-F649 HydrophobicContact CB-CE2 3.42Å; A613-F649 VanDerWaalsContact CB-CE2 3.42Å; A613-F649 HydrophobicContact CB-CZ 4.23Å |
| 614 | V | 90.5 | Very high | 85 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 173.5 | 178.9 | 0 | 0 | 0 | 0 | 111 | R610 P611 V616 V617 G618 N648 F649 P652 | R610-V614 PolarHBondContact O-N 2.85Å; P611-V614 PolarHBondContact O-N 3.17Å; V614-V616 PolarHBondContact O-N 2.91Å; V614-V617 PolarHBondContact O-N 2.96Å; V614-G618 PolarHBondContact O-N 2.82Å; V614-N648 WeakPolarHBondContact CG2-O 3.35Å; V614-F649 HydrophobicContact CG2-CD2 4.37Å; V614-P652 HydrophobicContact CG1-CB 4.02Å |
| 615 | C | 90.9 | Very high | 84.5 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.2 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | P611 L612 A613 G618 A619 | P611-C615 PolarHBondContact O-N 3.39Å; P611-C615 PolarHBondContact O-SG 3.04Å; L612-C615 WeakPolarHBondContact O-CB 3.15Å; L612-C615 PolarHBondContact O-N 2.97Å; A613-C615 VanDerWaalsContact C-N 3.34Å; A613-C615 PolarHBondContact O-N 2.79Å; C615-G618 PolarHBondContact O-N 2.86Å; C615-A619 VanDerWaalsContact O-CB 3.27Å; C615-A619 WeakPolarHBondContact O-CB 3.31Å; C615-A619 PolarHBondContact O-N 2.77Å |
| 616 | V | 91 | Very high | 83.6 | Confident | 45 Ų | 45 | 62 Ų | 62 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.5 | -49.2 | 177.6 | 168.6 | 0 | 0 | 0 | 0 | 110 | L602 L605 L612 A613 V614 G618 A619 T620 | L602-V616 HydrophobicContact CD2-CG1 3.78Å; L605-V616 HydrophobicContact CD2-CB 3.86Å; L605-V616 HydrophobicContact CD2-CG1 4.12Å; L605-V616 HydrophobicContact CD2-CG2 3.72Å; L612-V616 HydrophobicContact CD1-CG2 4.35Å; L612-V616 HydrophobicContact CG-CG2 4.43Å; L612-V616 WeakPolarHBondContact O-CG2 3.43Å; L612-V616 PolarHBondContact O-N 2.85Å; A613-V616 PolarHBondContact O-N 3.36Å; V614-V616 PolarHBondContact O-N 2.91Å; V616-G618 VanDerWaalsContact C-N 3.33Å; V616-G618 PolarHBondContact O-N 3.36Å; V616-A619 PolarHBondContact O-N 2.74Å; V616-A619 VanDerWaalsContact O-N 3.14Å; V616-T620 HydrophobicContact CG1-CG2 4.29Å; V616-T620 WeakPolarHBondContact O-CB 3.43Å; V616-T620 WeakPolarHBondContact O-CG2 3.48Å; V616-T620 PolarHBondContact O-N 3.34Å; V616-T620 PolarHBondContact O-OG1 2.85Å |
| 617 | V | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.3 | -51.2 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | L602 A613 V614 A619 T620 F621 F649 L650 I654 | L602-V617 HydrophobicContact CD1-CG2 4.5Å; L602-V617 HydrophobicContact CD2-CG2 4.17Å; A613-V617 WeakPolarHBondContact O-CG2 3.24Å; A613-V617 PolarHBondContact O-N 3.08Å; V614-V617 PolarHBondContact O-N 2.96Å; V617-A619 VanDerWaalsContact C-N 3.33Å; V617-A619 PolarHBondContact O-N 2.76Å; V617-T620 PolarHBondContact O-N 3.13Å; V617-F621 WeakPolarHBondContact O-CA 3.38Å; V617-F621 VanDerWaalsContact O-CB 3.24Å; V617-F621 WeakPolarHBondContact O-CB 3.4Å; V617-F621 PolarHBondContact O-N 3.25Å; V617-F649 HydrophobicContact CG2-CD2 4.36Å; V617-F649 HydrophobicContact CG2-CE2 3.54Å; V617-F649 HydrophobicContact CG2-CZ 3.89Å; V617-L650 HydrophobicContact CG1-CD2 4.28Å; V617-L650 HydrophobicContact CG2-CD2 3.91Å; V617-I654 HydrophobicContact CG1-CG1 4.04Å |
| 618 | G | 86.2 | Confident | 82.7 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | V614 C615 V616 G653 S657 | V614-G618 PolarHBondContact O-N 2.82Å; C615-G618 PolarHBondContact O-N 2.86Å; V616-G618 VanDerWaalsContact C-N 3.33Å; V616-G618 PolarHBondContact O-N 3.36Å; G618-G653 WeakPolarHBondContact CA-O 3.09Å; G618-S657 WeakPolarHBondContact O-CB 3.3Å; G618-S657 PolarHBondContact O-OG 3.24Å |
| 619 | A | 87.9 | Confident | 82.3 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -75.4 | -32.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C615 V616 V617 | C615-A619 VanDerWaalsContact O-CB 3.27Å; C615-A619 WeakPolarHBondContact O-CB 3.31Å; C615-A619 PolarHBondContact O-N 2.77Å; V616-A619 PolarHBondContact O-N 2.74Å; V616-A619 VanDerWaalsContact O-N 3.14Å; V617-A619 VanDerWaalsContact C-N 3.33Å; V617-A619 PolarHBondContact O-N 2.76Å |
| 620 | T | 86.1 | Confident | 81.8 | Confident | 48 Ų | 48 | 51.6 Ų | 51.6 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -98.1 | -13.6 | -175.3 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | V616 V617 A622 F623 I624 | V616-T620 HydrophobicContact CG1-CG2 4.29Å; V616-T620 WeakPolarHBondContact O-CB 3.43Å; V616-T620 WeakPolarHBondContact O-CG2 3.48Å; V616-T620 PolarHBondContact O-N 3.34Å; V616-T620 PolarHBondContact O-OG1 2.85Å; V617-T620 PolarHBondContact O-N 3.13Å; T620-A622 VanDerWaalsContact C-N 3.33Å; T620-A622 PolarHBondContact O-N 3.23Å; T620-F623 WeakPolarHBondContact O-CA 3.5Å; T620-F623 WeakPolarHBondContact O-CB 3.44Å; T620-F623 PolarHBondContact O-N 2.8Å; T620-I624 WeakPolarHBondContact O-CG1 3.45Å; T620-I624 PolarHBondContact O-N 3.45Å |
| 621 | F | 82.5 | Confident | 81.1 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56 | -44.7 | -171.5 | -172.7 | -114.3 | 0 | 0 | 0 | 112.9 | V617 F623 I624 V625 H630 L633 I654 | V617-F621 WeakPolarHBondContact O-CA 3.38Å; V617-F621 VanDerWaalsContact O-CB 3.24Å; V617-F621 WeakPolarHBondContact O-CB 3.4Å; V617-F621 PolarHBondContact O-N 3.25Å; F621-F623 VanDerWaalsContact C-N 3.26Å; F621-F623 PolarHBondContact O-N 3.31Å; F621-I624 CarbonylContact O-C 3.59Å; F621-I624 PolarHBondContact O-N 3.31Å; F621-I624 VanDerWaalsContact O-N 3.11Å; F621-V625 HydrophobicContact CD1-CG2 3.96Å; F621-V625 HydrophobicContact CD2-CG2 4.34Å; F621-V625 HydrophobicContact CE1-CG2 3.6Å; F621-V625 HydrophobicContact CE2-CG2 4.03Å; F621-V625 HydrophobicContact CG-CG2 4.31Å; F621-V625 HydrophobicContact CZ-CG2 3.65Å; F621-V625 WeakPolarHBondContact O-CG2 3.21Å; F621-V625 PolarHBondContact O-N 3.3Å; F621-H630 HydrophobicContact CE2-CB 3.92Å; F621-H630 HydrophobicContact CZ-CB 4.36Å; F621-L633 HydrophobicContact CD2-CD1 4.15Å; F621-L633 HydrophobicContact CE2-CD1 4.36Å; F621-I654 HydrophobicContact CD1-CG1 4.39Å; F621-I654 HydrophobicContact CD1-CG2 4.21Å; F621-I654 HydrophobicContact CD2-CD1 4.1Å; F621-I654 HydrophobicContact CD2-CG1 3.61Å; F621-I654 HydrophobicContact CE1-CG1 4.36Å; F621-I654 HydrophobicContact CE1-CG2 3.7Å; F621-I654 HydrophobicContact CE2-CD1 3.65Å; F621-I654 HydrophobicContact CE2-CG1 3.57Å; F621-I654 HydrophobicContact CE2-CG2 4.23Å; F621-I654 HydrophobicContact CG-CG1 4.03Å; F621-I654 HydrophobicContact CZ-CB 4.43Å; F621-I654 HydrophobicContact CZ-CD1 4.15Å; F621-I654 HydrophobicContact CZ-CG1 3.97Å; F621-I654 HydrophobicContact CZ-CG2 3.7Å |
| 622 | A | 75.8 | Confident | 80.4 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T620 V625 M626 | T620-A622 VanDerWaalsContact C-N 3.33Å; T620-A622 PolarHBondContact O-N 3.23Å; A622-V625 PolarHBondContact O-N 3.36Å; A622-M626 WeakPolarHBondContact O-CG 3.4Å; A622-M626 PolarHBondContact O-N 3.47Å |
| 623 | F | 77 | Confident | 79.8 | Confident | 103 Ų | 103 | 39.3 Ų | 39.3 | 45% | 0.452 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.3 | -40.6 | 176.1 | -64.1 | -79.9 | 0 | 0 | 0 | 112.1 | L428 T620 F621 V625 M626 T627 | L428-F623 HydrophobicContact CD2-CE1 4.35Å; T620-F623 WeakPolarHBondContact O-CA 3.5Å; T620-F623 WeakPolarHBondContact O-CB 3.44Å; T620-F623 PolarHBondContact O-N 2.8Å; F621-F623 VanDerWaalsContact C-N 3.26Å; F621-F623 PolarHBondContact O-N 3.31Å; F623-V625 VanDerWaalsContact C-N 3.29Å; F623-V625 PolarHBondContact O-N 3.08Å; F623-M626 HydrophobicContact CB-CE 4.29Å; F623-M626 HydrophobicContact CD1-CE 3.29Å; F623-M626 HydrophobicContact CE1-CE 3.8Å; F623-M626 HydrophobicContact CG-CE 4Å; F623-M626 PolarHBondContact O-N 3.39Å; F623-T627 PolarHBondContact O-N 2.99Å; F623-T627 VanDerWaalsContact O-N 3.11Å; F623-T627 PolarHBondContact O-OG1 2.94Å |
| 624 | I | 78.8 | Confident | 79.1 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -35 | 175.9 | -64.6 | 172 | 0 | 0 | 0 | 110.8 | T620 F621 T627 G628 M629 H630 L633 | T620-I624 WeakPolarHBondContact O-CG1 3.45Å; T620-I624 PolarHBondContact O-N 3.45Å; F621-I624 CarbonylContact O-C 3.59Å; F621-I624 PolarHBondContact O-N 3.31Å; F621-I624 VanDerWaalsContact O-N 3.11Å; I624-T627 PolarHBondContact O-OG1 3.38Å; I624-T627 VanDerWaalsContact O-OG1 3.05Å; I624-G628 PolarHBondContact O-N 3.39Å; I624-M629 HydrophobicContact CG2-CB 4.01Å; I624-M629 PolarHBondContact O-N 3.08Å; I624-H630 HydrophobicContact CG2-CB 3.97Å; I624-H630 VanDerWaalsContact CG2-N 3.35Å; I624-H630 PolarHBondContact O-N 3.49Å; I624-L633 HydrophobicContact CD1-CD1 4.24Å; I624-L633 HydrophobicContact CG2-CD1 4.42Å |
| 625 | V | 74.3 | Confident | 77.9 | Confident | 60 Ų | 60 | 44.2 Ų | 44.2 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | F621 A622 F623 T627 G628 H630 | F621-V625 HydrophobicContact CD1-CG2 3.96Å; F621-V625 HydrophobicContact CD2-CG2 4.34Å; F621-V625 HydrophobicContact CE1-CG2 3.6Å; F621-V625 HydrophobicContact CE2-CG2 4.03Å; F621-V625 HydrophobicContact CG-CG2 4.31Å; F621-V625 HydrophobicContact CZ-CG2 3.65Å; F621-V625 WeakPolarHBondContact O-CG2 3.21Å; F621-V625 PolarHBondContact O-N 3.3Å; A622-V625 PolarHBondContact O-N 3.36Å; F623-V625 VanDerWaalsContact C-N 3.29Å; F623-V625 PolarHBondContact O-N 3.08Å; V625-T627 PolarHBondContact O-N 3.49Å; V625-G628 WeakPolarHBondContact O-CA 3.38Å; V625-G628 PolarHBondContact O-N 2.83Å; V625-H630 HydrophobicContact CG2-CB 3.93Å |
| 626 | M | 66.1 | Low | 77 | Confident | 60 Ų | 60 | 42.9 Ų | 42.9 | 30% | 0.296 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60 | -31.7 | 176.4 | -75.2 | -171.1 | -63.2 | 0 | 0 | 113.1 | L435 A622 F623 G628 | L435-M626 VanDerWaalsContact CD1-O 3.31Å; L435-M626 WeakPolarHBondContact CD1-O 3.32Å; A622-M626 WeakPolarHBondContact O-CG 3.4Å; A622-M626 PolarHBondContact O-N 3.47Å; F623-M626 HydrophobicContact CB-CE 4.29Å; F623-M626 HydrophobicContact CD1-CE 3.29Å; F623-M626 HydrophobicContact CE1-CE 3.8Å; F623-M626 HydrophobicContact CG-CE 4Å; F623-M626 PolarHBondContact O-N 3.39Å; M626-G628 VanDerWaalsContact C-N 3.31Å |
| 627 | T | 74.8 | Confident | 76 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 18% | 0.184 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.8 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 113 | L542 F623 I624 V625 M629 | L542-T627 WeakPolarHBondContact CB-O 3.25Å; L542-T627 PolarHBondContact N-O 3.2Å; F623-T627 PolarHBondContact O-N 2.99Å; F623-T627 VanDerWaalsContact O-N 3.11Å; F623-T627 PolarHBondContact O-OG1 2.94Å; I624-T627 PolarHBondContact O-OG1 3.38Å; I624-T627 VanDerWaalsContact O-OG1 3.05Å; V625-T627 PolarHBondContact O-N 3.49Å; T627-M629 VanDerWaalsContact C-N 3.26Å; T627-M629 PolarHBondContact O-N 3.42Å; T627-M629 VanDerWaalsContact OG1-CG 3.27Å; T627-M629 WeakPolarHBondContact OG1-CG 3.22Å; T627-M629 PolarHBondContact OG1-SD 3.43Å |
| 628 | G | 70 | Confident | 74.9 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 12% | 0.124 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 18 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I624 V625 M626 P631 | I624-G628 PolarHBondContact O-N 3.39Å; V625-G628 WeakPolarHBondContact O-CA 3.38Å; V625-G628 PolarHBondContact O-N 2.83Å; M626-G628 VanDerWaalsContact C-N 3.31Å; G628-P631 VanDerWaalsContact O-CD 3.23Å; G628-P631 WeakPolarHBondContact O-CD 3.4Å |
| 629 | M | 74.4 | Confident | 73.8 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | trans | -90.4 | -1.3 | -177.4 | -63.7 | 179 | 75.6 | 0 | 0 | 113.9 | L542 I594 I598 I624 T627 P631 V632 | L542-M629 HydrophobicContact CB-CG 4.49Å; L542-M629 HydrophobicContact CD2-CE 4.22Å; L542-M629 HydrophobicContact CD2-CG 3.97Å; L542-M629 HydrophobicContact CD2-SD 3.58Å; L542-M629 VanDerWaalsContact CD2-SD 3.58Å; I594-M629 HydrophobicContact CB-CE 3.89Å; I594-M629 HydrophobicContact CG2-CE 3.64Å; I594-M629 HydrophobicContact CG2-SD 4.48Å; I598-M629 HydrophobicContact CD1-CE 3.62Å; I598-M629 HydrophobicContact CD1-SD 4.16Å; I624-M629 HydrophobicContact CG2-CB 4.01Å; I624-M629 PolarHBondContact O-N 3.08Å; T627-M629 VanDerWaalsContact C-N 3.26Å; T627-M629 PolarHBondContact O-N 3.42Å; T627-M629 VanDerWaalsContact OG1-CG 3.27Å; T627-M629 WeakPolarHBondContact OG1-CG 3.22Å; T627-M629 PolarHBondContact OG1-SD 3.43Å; M629-P631 VanDerWaalsContact C-N 3.32Å; M629-V632 PolarHBondContact O-N 2.91Å | ||
| 630 | H | 73.3 | Confident | 72.8 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.9 | 180 | 62.1 | -83.6 | 0 | 0 | 0 | 115 | F621 I624 V625 V632 L633 F634 | F621-H630 HydrophobicContact CE2-CB 3.92Å; F621-H630 HydrophobicContact CZ-CB 4.36Å; I624-H630 HydrophobicContact CG2-CB 3.97Å; I624-H630 VanDerWaalsContact CG2-N 3.35Å; I624-H630 PolarHBondContact O-N 3.49Å; V625-H630 HydrophobicContact CG2-CB 3.93Å; H630-V632 PolarHBondContact O-N 3.2Å; H630-V632 VanDerWaalsContact O-N 3.13Å; H630-L633 WeakPolarHBondContact O-CB 3.42Å; H630-L633 PolarHBondContact O-N 3.02Å; H630-L633 VanDerWaalsContact O-N 3.08Å; H630-F634 AromaticContact CD2-CE2 3.92Å; H630-F634 VanDerWaalsContact O-CD2 3.27Å; H630-F634 WeakPolarHBondContact O-CD2 3.43Å |
| 631 | P | 70.5 | Confident | 72 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55 | -31.2 | 176.6 | -28.6 | 39 | 0 | 0 | 0 | 113.9 | G628 M629 L633 F634 T635 | G628-P631 VanDerWaalsContact O-CD 3.23Å; G628-P631 WeakPolarHBondContact O-CD 3.4Å; M629-P631 VanDerWaalsContact C-N 3.32Å; P631-L633 VanDerWaalsContact C-N 3.29Å; P631-L633 PolarHBondContact O-N 2.96Å; P631-F634 CarbonylContact O-C 3.55Å; P631-F634 WeakPolarHBondContact O-CA 3.42Å; P631-F634 WeakPolarHBondContact O-CB 3.31Å; P631-F634 PolarHBondContact O-N 3.37Å; P631-T635 PolarHBondContact O-N 3.26Å; P631-T635 PolarHBondContact O-OG1 3.2Å |
| 632 | V | 72.6 | Confident | 70.8 | Confident | 42 Ų | 42 | 54 Ų | 54 | 26% | 0.255 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | G595 M629 H630 F634 T635 Y636 | G595-V632 WeakPolarHBondContact O-CG1 3.42Å; M629-V632 PolarHBondContact O-N 2.91Å; H630-V632 PolarHBondContact O-N 3.2Å; H630-V632 VanDerWaalsContact O-N 3.13Å; V632-F634 VanDerWaalsContact C-N 3.26Å; V632-F634 PolarHBondContact O-N 3.43Å; V632-T635 PolarHBondContact O-N 3.12Å; V632-Y636 PolarHBondContact O-N 3.48Å |
| 633 | L | 77.3 | Confident | 70.4 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 174.9 | -57.2 | -176.9 | 0 | 0 | 0 | 110.2 | L602 F621 I624 H630 P631 Y636 L637 L650 | L602-L633 HydrophobicContact CD1-CD2 3.52Å; F621-L633 HydrophobicContact CD2-CD1 4.15Å; F621-L633 HydrophobicContact CE2-CD1 4.36Å; I624-L633 HydrophobicContact CD1-CD1 4.24Å; I624-L633 HydrophobicContact CG2-CD1 4.42Å; H630-L633 WeakPolarHBondContact O-CB 3.42Å; H630-L633 PolarHBondContact O-N 3.02Å; H630-L633 VanDerWaalsContact O-N 3.08Å; P631-L633 VanDerWaalsContact C-N 3.29Å; P631-L633 PolarHBondContact O-N 2.96Å; L633-Y636 PolarHBondContact O-N 3.36Å; L633-L637 PolarHBondContact O-N 3.2Å; L633-L650 HydrophobicContact CB-CD1 4.02Å; L633-L650 HydrophobicContact CB-CD2 4.32Å; L633-L650 HydrophobicContact CD2-CD2 4.19Å; L633-L650 WeakPolarHBondContact O-CD1 3.34Å |
| 634 | F | 73.6 | Confident | 70.1 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 176.6 | -64.8 | -72 | 0 | 0 | 0 | 112.5 | H630 P631 V632 Y636 L637 F638 M651 I654 | H630-F634 AromaticContact CD2-CE2 3.92Å; H630-F634 VanDerWaalsContact O-CD2 3.27Å; H630-F634 WeakPolarHBondContact O-CD2 3.43Å; P631-F634 CarbonylContact O-C 3.55Å; P631-F634 WeakPolarHBondContact O-CA 3.42Å; P631-F634 WeakPolarHBondContact O-CB 3.31Å; P631-F634 PolarHBondContact O-N 3.37Å; V632-F634 VanDerWaalsContact C-N 3.26Å; V632-F634 PolarHBondContact O-N 3.43Å; F634-Y636 VanDerWaalsContact C-N 3.28Å; F634-Y636 PolarHBondContact O-N 2.79Å; F634-L637 HydrophobicContact CD1-CD2 4.24Å; F634-L637 CarbonylContact O-C 3.56Å; F634-L637 WeakPolarHBondContact O-CA 3.46Å; F634-L637 WeakPolarHBondContact O-CB 3.32Å; F634-L637 PolarHBondContact O-N 3.39Å; F634-F638 HydrophobicContact CB-CD2 4.5Å; F634-F638 HydrophobicContact CB-CE2 3.89Å; F634-F638 HydrophobicContact CB-CZ 4Å; F634-F638 WeakPolarHBondContact O-CD2 3.43Å; F634-F638 WeakPolarHBondContact O-CG 3.25Å; F634-F638 PolarHBondContact O-N 2.79Å; F634-M651 HydrophobicContact CD1-CE 4.19Å; F634-M651 HydrophobicContact CE1-CE 3.54Å; F634-M651 HydrophobicContact CZ-CE 4.36Å; F634-I654 HydrophobicContact CE1-CD1 4.45Å; F634-I654 HydrophobicContact CZ-CD1 4.27Å |
| 635 | T | 65.9 | Low | 69.5 | Low | 85 Ų | 85 | 58.2 Ų | 58.2 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 172.1 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | P631 V632 F638 T639 | P631-T635 PolarHBondContact O-N 3.26Å; P631-T635 PolarHBondContact O-OG1 3.2Å; V632-T635 PolarHBondContact O-N 3.12Å; T635-F638 PolarHBondContact O-N 3.11Å; T635-T639 PolarHBondContact O-N 3.46Å; T635-T639 VanDerWaalsContact O-N 3.1Å; T635-T639 PolarHBondContact O-OG1 2.87Å; T635-T639 VanDerWaalsContact O-OG1 3.09Å |
| 636 | Y | 71.7 | Confident | 69.5 | Low | 54 Ų | 54 | 61.5 Ų | 61.5 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 174.2 | 171.8 | -92.6 | 0 | 0 | 0 | 112.3 | I603 V632 L633 F634 F638 T639 T640 F649 L650 | I603-Y636 HydrophobicContact CB-CE2 4.37Å; I603-Y636 HydrophobicContact CD1-CD2 3.14Å; I603-Y636 HydrophobicContact CD1-CE2 3.33Å; I603-Y636 HydrophobicContact CD1-CG 3.91Å; I603-Y636 HydrophobicContact CG1-CD2 3.62Å; I603-Y636 HydrophobicContact CG1-CE1 4.4Å; I603-Y636 HydrophobicContact CG1-CE2 3.39Å; I603-Y636 HydrophobicContact CG1-CG 4.17Å; I603-Y636 HydrophobicContact CG2-CE2 4.04Å; V632-Y636 PolarHBondContact O-N 3.48Å; L633-Y636 PolarHBondContact O-N 3.36Å; F634-Y636 VanDerWaalsContact C-N 3.28Å; F634-Y636 PolarHBondContact O-N 2.79Å; Y636-F638 VanDerWaalsContact C-N 3.32Å; Y636-F638 PolarHBondContact O-N 2.9Å; Y636-T639 PolarHBondContact O-N 2.97Å; Y636-T640 HydrophobicContact CD1-CG2 4.4Å; Y636-T640 HydrophobicContact CD2-CG2 3.92Å; Y636-T640 HydrophobicContact CE1-CG2 3.98Å; Y636-T640 HydrophobicContact CE2-CG2 3.44Å; Y636-T640 VanDerWaalsContact CE2-CG2 3.44Å; Y636-T640 HydrophobicContact CG-CG2 4.42Å; Y636-T640 VanDerWaalsContact CZ-CG2 3.5Å; Y636-T640 PolarHBondContact O-N 2.65Å; Y636-T640 PolarHBondContact O-OG1 3.49Å; Y636-F649 AromaticContact CE1-CD1 3.96Å; Y636-F649 HydrophobicContact CE1-CD1 3.96Å; Y636-F649 HydrophobicContact CE1-CE1 4.42Å; Y636-L650 HydrophobicContact CD1-CD1 3.52Å; Y636-L650 HydrophobicContact CD1-CG 4.28Å; Y636-L650 HydrophobicContact CE1-CD1 4.25Å; Y636-L650 HydrophobicContact CG-CD1 4.44Å |
| 637 | L | 70.6 | Confident | 70 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 176.7 | -177.6 | 66.4 | 0 | 0 | 0 | 110.9 | L633 F634 T639 T640 F641 D647 L650 M651 | L633-L637 PolarHBondContact O-N 3.2Å; F634-L637 HydrophobicContact CD1-CD2 4.24Å; F634-L637 CarbonylContact O-C 3.56Å; F634-L637 WeakPolarHBondContact O-CA 3.46Å; F634-L637 WeakPolarHBondContact O-CB 3.32Å; F634-L637 PolarHBondContact O-N 3.39Å; L637-T639 VanDerWaalsContact C-N 3.28Å; L637-T639 PolarHBondContact O-N 3.37Å; L637-T640 PolarHBondContact O-N 3.11Å; L637-F641 HydrophobicContact CD1-CB 4.2Å; L637-F641 HydrophobicContact CD1-CD2 4.27Å; L637-F641 HydrophobicContact CG-CB 4.47Å; L637-F641 WeakPolarHBondContact O-CB 3.34Å; L637-F641 PolarHBondContact O-N 3.17Å; L637-D647 HydrophobicContact CD1-CB 3.46Å; L637-D647 VanDerWaalsContact CD1-CB 3.46Å; L637-L650 HydrophobicContact CB-CD1 4.19Å; L637-M651 HydrophobicContact CD1-CG 4.35Å; L637-M651 HydrophobicContact CD2-CE 3.67Å; L637-M651 HydrophobicContact CD2-CG 3.87Å; L637-M651 HydrophobicContact CD2-SD 3.97Å |
| 638 | F | 64.4 | Low | 70.3 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 48% | 0.478 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -31.3 | 179.5 | -60.9 | -34.2 | 0 | 0 | 0 | 113.1 | F634 T635 Y636 P642 | F634-F638 HydrophobicContact CB-CD2 4.5Å; F634-F638 HydrophobicContact CB-CE2 3.89Å; F634-F638 HydrophobicContact CB-CZ 4Å; F634-F638 WeakPolarHBondContact O-CD2 3.43Å; F634-F638 WeakPolarHBondContact O-CG 3.25Å; F634-F638 PolarHBondContact O-N 2.79Å; T635-F638 PolarHBondContact O-N 3.11Å; Y636-F638 VanDerWaalsContact C-N 3.32Å; Y636-F638 PolarHBondContact O-N 2.9Å; F638-P642 WeakPolarHBondContact O-CD 3.07Å; F638-P642 WeakPolarHBondContact O-CG 3.18Å |
| 639 | T | 62.8 | Low | 70.8 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 60% | 0.595 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -75.6 | -41.8 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | T635 Y636 L637 T643 | T635-T639 PolarHBondContact O-N 3.46Å; T635-T639 VanDerWaalsContact O-N 3.1Å; T635-T639 PolarHBondContact O-OG1 2.87Å; T635-T639 VanDerWaalsContact O-OG1 3.09Å; Y636-T639 PolarHBondContact O-N 2.97Å; L637-T639 VanDerWaalsContact C-N 3.28Å; L637-T639 PolarHBondContact O-N 3.37Å; T639-T643 PolarHBondContact O-OG1 2.98Å |
| 640 | T | 67.4 | Low | 71.2 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -88.2 | -33.7 | -171 | 54 | 0 | 0 | 0 | 0 | 114.2 | Y636 L637 T643 L644 | Y636-T640 HydrophobicContact CD1-CG2 4.4Å; Y636-T640 HydrophobicContact CD2-CG2 3.92Å; Y636-T640 HydrophobicContact CE1-CG2 3.98Å; Y636-T640 HydrophobicContact CE2-CG2 3.44Å; Y636-T640 VanDerWaalsContact CE2-CG2 3.44Å; Y636-T640 HydrophobicContact CG-CG2 4.42Å; Y636-T640 VanDerWaalsContact CZ-CG2 3.5Å; Y636-T640 PolarHBondContact O-N 2.65Å; Y636-T640 PolarHBondContact O-OG1 3.49Å; L637-T640 PolarHBondContact O-N 3.11Å; T640-T643 WeakPolarHBondContact O-CB 3.36Å; T640-T643 PolarHBondContact O-N 2.88Å; T640-T643 VanDerWaalsContact O-N 3.1Å; T640-L644 WeakPolarHBondContact O-CG 3.24Å; T640-L644 PolarHBondContact O-N 2.98Å |
| 641 | F | 68 | Low | 71.6 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 39% | 0.386 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | -176.6 | -171.1 | -86.6 | 0 | 0 | 0 | 112.9 | L637 T643 L644 G645 D647 | L637-F641 HydrophobicContact CD1-CB 4.2Å; L637-F641 HydrophobicContact CD1-CD2 4.27Å; L637-F641 HydrophobicContact CG-CB 4.47Å; L637-F641 WeakPolarHBondContact O-CB 3.34Å; L637-F641 PolarHBondContact O-N 3.17Å; F641-T643 PolarHBondContact O-N 2.92Å; F641-L644 PolarHBondContact O-N 2.91Å; F641-G645 WeakPolarHBondContact O-CA 3.41Å; F641-G645 PolarHBondContact O-N 2.99Å; F641-D647 HydrophobicContact CD2-CB 4.02Å; F641-D647 HydrophobicContact CE2-CB 4.5Å |
| 642 | P | 56.8 | Low | 72.2 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 66% | 0.656 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.9 | -30.1 | 174 | -24.1 | 35.7 | 0 | 0 | 0 | 113.1 | F638 | F638-P642 WeakPolarHBondContact O-CD 3.07Å; F638-P642 WeakPolarHBondContact O-CG 3.18Å |
| 643 | T | 68.5 | Low | 72.7 | Confident | 118 Ų | 118 | 57.4 Ų | 57.4 | 72% | 0.724 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -78.8 | -39.8 | 179.9 | -56.5 | 0 | 0 | 0 | 0 | 112 | T639 T640 F641 | T639-T643 PolarHBondContact O-OG1 2.98Å; T640-T643 WeakPolarHBondContact O-CB 3.36Å; T640-T643 PolarHBondContact O-N 2.88Å; T640-T643 VanDerWaalsContact O-N 3.1Å; F641-T643 PolarHBondContact O-N 2.92Å |
| 644 | L | 71.4 | Confident | 72.9 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -92.3 | -24.3 | -175.8 | -64.4 | 177 | 0 | 0 | 0 | 113.4 | T640 F641 Y646 | T640-L644 WeakPolarHBondContact O-CG 3.24Å; T640-L644 PolarHBondContact O-N 2.98Å; F641-L644 PolarHBondContact O-N 2.91Å; L644-Y646 HydrophobicContact CB-CD1 4.41Å; L644-Y646 HydrophobicContact CB-CE1 4.32Å; L644-Y646 WeakPolarHBondContact CB-O 3.46Å; L644-Y646 WeakPolarHBondContact O-CD1 3.36Å; L644-Y646 WeakPolarHBondContact O-CE1 3.23Å; L644-Y646 PolarHBondContact O-N 3Å |
| 645 | G | 66.1 | Low | 73 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 58% | 0.577 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 72.9 | -2.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F641 | F641-G645 WeakPolarHBondContact O-CA 3.41Å; F641-G645 PolarHBondContact O-N 2.99Å |
| 646 | Y | 73.1 | Confident | 73.7 | Confident | 129 Ų | 129 | 57 Ų | 57 | 51% | 0.506 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -152.2 | 165 | 178.5 | 65.2 | -90 | 0 | 0 | 0 | 110.8 | L644 N648 | L644-Y646 HydrophobicContact CB-CD1 4.41Å; L644-Y646 HydrophobicContact CB-CE1 4.32Å; L644-Y646 WeakPolarHBondContact CB-O 3.46Å; L644-Y646 WeakPolarHBondContact O-CD1 3.36Å; L644-Y646 WeakPolarHBondContact O-CE1 3.23Å; L644-Y646 PolarHBondContact O-N 3Å; Y646-N648 HydrophobicContact CD2-CB 4.32Å; Y646-N648 HydrophobicContact CE2-CB 4.26Å |
| 647 | D | 77.3 | Confident | 74 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.15 | 32% | 0.316 | C | S | . | . | trans | -126.5 | 129.4 | 168 | 170.8 | 51.3 | 0 | 0 | 0 | 110.4 | L637 F641 F649 L650 M651 | L637-D647 HydrophobicContact CD1-CB 3.46Å; L637-D647 VanDerWaalsContact CD1-CB 3.46Å; F641-D647 HydrophobicContact CD2-CB 4.02Å; F641-D647 HydrophobicContact CE2-CB 4.5Å; D647-F649 PolarHBondContact OD1-N 3.02Å; D647-L650 PolarHBondContact OD1-N 3.4Å; D647-L650 PolarHBondContact OD2-N 3.46Å; D647-L650 VanDerWaalsContact OD2-N 3.11Å; D647-M651 WeakPolarHBondContact OD2-CA 3.5Å; D647-M651 WeakPolarHBondContact OD2-CB 3.2Å; D647-M651 WeakPolarHBondContact OD2-CG 3.35Å; D647-M651 PolarHBondContact OD2-N 3.01Å | ||
| 648 | N | 80.5 | Confident | 74.2 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -116.9 | 9.3 | 179.2 | 65.1 | -1.2 | 0 | 0 | 0 | 112.5 | V614 Y646 | V614-N648 WeakPolarHBondContact CG2-O 3.35Å; Y646-N648 HydrophobicContact CD2-CB 4.32Å; Y646-N648 HydrophobicContact CE2-CB 4.26Å |
| 649 | F | 81.5 | Confident | 74.8 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -122.7 | -64.4 | -168.8 | 174.4 | -145.8 | 0 | 0 | 0 | 112.3 | L602 I603 N606 A613 V614 V617 Y636 D647 | L602-F649 HydrophobicContact CB-CZ 3.94Å; L602-F649 WeakPolarHBondContact O-CZ 3.24Å; I603-F649 HydrophobicContact CG1-CE1 4.48Å; N606-F649 HydrophobicContact CB-CD1 3.89Å; N606-F649 HydrophobicContact CB-CD2 3.88Å; N606-F649 HydrophobicContact CB-CE1 3.81Å; N606-F649 HydrophobicContact CB-CE2 3.84Å; N606-F649 HydrophobicContact CB-CG 3.93Å; N606-F649 HydrophobicContact CB-CZ 3.78Å; N606-F649 VanDerWaalsContact CG-CG 3.42Å; N606-F649 WeakPolarHBondContact ND2-CG 3.44Å; A613-F649 HydrophobicContact CB-CD2 3.94Å; A613-F649 HydrophobicContact CB-CE2 3.42Å; A613-F649 VanDerWaalsContact CB-CE2 3.42Å; A613-F649 HydrophobicContact CB-CZ 4.23Å; V614-F649 HydrophobicContact CG2-CD2 4.37Å; V617-F649 HydrophobicContact CG2-CD2 4.36Å; V617-F649 HydrophobicContact CG2-CE2 3.54Å; V617-F649 HydrophobicContact CG2-CZ 3.89Å; Y636-F649 AromaticContact CE1-CD1 3.96Å; Y636-F649 HydrophobicContact CE1-CD1 3.96Å; Y636-F649 HydrophobicContact CE1-CE1 4.42Å; D647-F649 PolarHBondContact OD1-N 3.02Å |
| 650 | L | 82.7 | Confident | 75.6 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -84.3 | -53.4 | -168.1 | -69 | -178.5 | 0 | 0 | 0 | 112.4 | V617 L633 Y636 L637 D647 G653 I654 | V617-L650 HydrophobicContact CG1-CD2 4.28Å; V617-L650 HydrophobicContact CG2-CD2 3.91Å; L633-L650 HydrophobicContact CB-CD1 4.02Å; L633-L650 HydrophobicContact CB-CD2 4.32Å; L633-L650 HydrophobicContact CD2-CD2 4.19Å; L633-L650 WeakPolarHBondContact O-CD1 3.34Å; Y636-L650 HydrophobicContact CD1-CD1 3.52Å; Y636-L650 HydrophobicContact CD1-CG 4.28Å; Y636-L650 HydrophobicContact CE1-CD1 4.25Å; Y636-L650 HydrophobicContact CG-CD1 4.44Å; L637-L650 HydrophobicContact CB-CD1 4.19Å; D647-L650 PolarHBondContact OD1-N 3.4Å; D647-L650 PolarHBondContact OD2-N 3.46Å; D647-L650 VanDerWaalsContact OD2-N 3.11Å; L650-G653 PolarHBondContact O-N 3.34Å; L650-G653 VanDerWaalsContact O-N 3.16Å; L650-I654 HydrophobicContact CB-CD1 4.34Å; L650-I654 WeakPolarHBondContact O-CB 3.21Å; L650-I654 VanDerWaalsContact O-CG1 3.26Å; L650-I654 WeakPolarHBondContact O-CG1 3.05Å; L650-I654 PolarHBondContact O-N 3.28Å |
| 651 | M | 81.5 | Confident | 75.9 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 18% | 0.177 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | -178.6 | -69.5 | -64.9 | 96.7 | 0 | 0 | 112 | F634 L637 D647 G653 I654 L655 | F634-M651 HydrophobicContact CD1-CE 4.19Å; F634-M651 HydrophobicContact CE1-CE 3.54Å; F634-M651 HydrophobicContact CZ-CE 4.36Å; L637-M651 HydrophobicContact CD1-CG 4.35Å; L637-M651 HydrophobicContact CD2-CE 3.67Å; L637-M651 HydrophobicContact CD2-CG 3.87Å; L637-M651 HydrophobicContact CD2-SD 3.97Å; D647-M651 WeakPolarHBondContact OD2-CA 3.5Å; D647-M651 WeakPolarHBondContact OD2-CB 3.2Å; D647-M651 WeakPolarHBondContact OD2-CG 3.35Å; D647-M651 PolarHBondContact OD2-N 3.01Å; M651-G653 VanDerWaalsContact C-N 3.27Å; M651-G653 PolarHBondContact O-N 3.26Å; M651-I654 HydrophobicContact CE-CB 4.31Å; M651-I654 HydrophobicContact CE-CD1 3.46Å; M651-I654 VanDerWaalsContact CE-CD1 3.46Å; M651-I654 HydrophobicContact CE-CG1 4.41Å; M651-I654 HydrophobicContact CE-CG2 4.47Å; M651-I654 PolarHBondContact O-N 2.93Å; M651-L655 VanDerWaalsContact O-CB 3.25Å; M651-L655 WeakPolarHBondContact O-CB 3.47Å; M651-L655 WeakPolarHBondContact O-CG 3.33Å; M651-L655 PolarHBondContact O-N 2.96Å |
| 652 | P | 81.8 | Confident | 76.2 | Confident | 53 Ų | 53 | 53 Ų | 53 | 34% | 0.344 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.9 | -40.9 | 175.7 | -25.9 | 35.9 | 0 | 0 | 0 | 113.1 | V614 A656 | V614-P652 HydrophobicContact CG1-CB 4.02Å; P652-A656 WeakPolarHBondContact O-CB 3.18Å; P652-A656 PolarHBondContact O-N 3.37Å |
| 653 | G | 83.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G618 L650 M651 A656 S657 | G618-G653 WeakPolarHBondContact CA-O 3.09Å; L650-G653 PolarHBondContact O-N 3.34Å; L650-G653 VanDerWaalsContact O-N 3.16Å; M651-G653 VanDerWaalsContact C-N 3.27Å; M651-G653 PolarHBondContact O-N 3.26Å; G653-A656 PolarHBondContact O-N 3.36Å; G653-S657 PolarHBondContact O-N 3.31Å |
| 654 | I | 81.5 | Confident | 77.7 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 178.4 | -70.3 | 170.2 | 0 | 0 | 0 | 110.7 | V617 F621 F634 L650 M651 S657 S658 | V617-I654 HydrophobicContact CG1-CG1 4.04Å; F621-I654 HydrophobicContact CD1-CG1 4.39Å; F621-I654 HydrophobicContact CD1-CG2 4.21Å; F621-I654 HydrophobicContact CD2-CD1 4.1Å; F621-I654 HydrophobicContact CD2-CG1 3.61Å; F621-I654 HydrophobicContact CE1-CG1 4.36Å; F621-I654 HydrophobicContact CE1-CG2 3.7Å; F621-I654 HydrophobicContact CE2-CD1 3.65Å; F621-I654 HydrophobicContact CE2-CG1 3.57Å; F621-I654 HydrophobicContact CE2-CG2 4.23Å; F621-I654 HydrophobicContact CG-CG1 4.03Å; F621-I654 HydrophobicContact CZ-CB 4.43Å; F621-I654 HydrophobicContact CZ-CD1 4.15Å; F621-I654 HydrophobicContact CZ-CG1 3.97Å; F621-I654 HydrophobicContact CZ-CG2 3.7Å; F634-I654 HydrophobicContact CE1-CD1 4.45Å; F634-I654 HydrophobicContact CZ-CD1 4.27Å; L650-I654 HydrophobicContact CB-CD1 4.34Å; L650-I654 WeakPolarHBondContact O-CB 3.21Å; L650-I654 VanDerWaalsContact O-CG1 3.26Å; L650-I654 WeakPolarHBondContact O-CG1 3.05Å; L650-I654 PolarHBondContact O-N 3.28Å; M651-I654 HydrophobicContact CE-CB 4.31Å; M651-I654 HydrophobicContact CE-CD1 3.46Å; M651-I654 VanDerWaalsContact CE-CD1 3.46Å; M651-I654 HydrophobicContact CE-CG1 4.41Å; M651-I654 HydrophobicContact CE-CG2 4.47Å; M651-I654 PolarHBondContact O-N 2.93Å; I654-S657 WeakPolarHBondContact O-CB 3.14Å; I654-S657 PolarHBondContact O-N 3.11Å; I654-S658 WeakPolarHBondContact O-CB 3.4Å; I654-S658 PolarHBondContact O-N 3.48Å; I654-S658 PolarHBondContact O-OG 2.85Å; I654-S658 VanDerWaalsContact O-OG 3.07Å |
| 655 | L | 75.8 | Confident | 77.9 | Confident | 59 Ų | 59 | 46 Ų | 46 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.4 | -70.1 | 173.2 | 0 | 0 | 0 | 111.6 | M651 S657 S658 W659 V695 | M651-L655 VanDerWaalsContact O-CB 3.25Å; M651-L655 WeakPolarHBondContact O-CB 3.47Å; M651-L655 WeakPolarHBondContact O-CG 3.33Å; M651-L655 PolarHBondContact O-N 2.96Å; L655-S657 VanDerWaalsContact C-N 3.33Å; L655-S657 PolarHBondContact O-N 3.35Å; L655-S658 PolarHBondContact O-N 3.22Å; L655-W659 VanDerWaalsContact O-CD1 3.26Å; L655-W659 PolarHBondContact O-N 2.7Å; L655-V695 HydrophobicContact CD2-CB 4.42Å; L655-V695 HydrophobicContact CD2-CG2 3.3Å |
| 656 | A | 79.8 | Confident | 78.5 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 50% | 0.504 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P652 G653 A660 | P652-A656 WeakPolarHBondContact O-CB 3.18Å; P652-A656 PolarHBondContact O-N 3.37Å; G653-A656 PolarHBondContact O-N 3.36Å; A656-A660 VanDerWaalsContact O-CB 3.28Å; A656-A660 WeakPolarHBondContact O-CB 3.48Å; A656-A660 PolarHBondContact O-N 3.05Å |
| 657 | S | 79.3 | Confident | 78.9 | Confident | 17 Ų | 17 | 43 Ų | 43 | 12% | 0.119 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 175 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | G618 G653 I654 L655 A660 A661 | G618-S657 WeakPolarHBondContact O-CB 3.3Å; G618-S657 PolarHBondContact O-OG 3.24Å; G653-S657 PolarHBondContact O-N 3.31Å; I654-S657 WeakPolarHBondContact O-CB 3.14Å; I654-S657 PolarHBondContact O-N 3.11Å; L655-S657 VanDerWaalsContact C-N 3.33Å; L655-S657 PolarHBondContact O-N 3.35Å; S657-A660 PolarHBondContact O-N 3.11Å; S657-A661 WeakPolarHBondContact O-CB 2.98Å; S657-A661 PolarHBondContact O-N 2.69Å |
| 658 | S | 74.7 | Confident | 79 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -46.9 | -178.2 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | I654 L655 A660 A661 T662 | I654-S658 WeakPolarHBondContact O-CB 3.4Å; I654-S658 PolarHBondContact O-N 3.48Å; I654-S658 PolarHBondContact O-OG 2.85Å; I654-S658 VanDerWaalsContact O-OG 3.07Å; L655-S658 PolarHBondContact O-N 3.22Å; S658-A660 VanDerWaalsContact C-N 3.35Å; S658-A660 PolarHBondContact O-N 3.43Å; S658-A661 PolarHBondContact O-N 2.91Å; S658-T662 PolarHBondContact O-N 2.93Å; S658-T662 PolarHBondContact O-OG1 3.42Å; S658-T662 VanDerWaalsContact O-OG1 3.13Å |
| 659 | W | 77.6 | Confident | 78.8 | Confident | 133 Ų | 133 | 41.1 Ų | 41.1 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 176.7 | -82.2 | 108.5 | 0 | 0 | 0 | 112.7 | L655 A661 T662 G663 W688 F689 | L655-W659 VanDerWaalsContact O-CD1 3.26Å; L655-W659 PolarHBondContact O-N 2.7Å; W659-A661 VanDerWaalsContact C-N 3.34Å; W659-T662 PolarHBondContact O-N 2.8Å; W659-G663 PolarHBondContact O-N 2.98Å; W659-W688 AromaticContact CD2-CH2 3.73Å; W659-W688 HydrophobicContact CD2-CH2 3.73Å; W659-W688 HydrophobicContact CD2-CZ2 4.44Å; W659-W688 AromaticContact CE2-CH2 3.67Å; W659-W688 AromaticContact CE3-CH2 3.78Å; W659-W688 HydrophobicContact CE3-CH2 3.78Å; W659-W688 HydrophobicContact CE3-CZ3 4.27Å; W659-W688 HydrophobicContact CG-CH2 4.45Å; W659-W688 AromaticContact CH2-CH2 3.74Å; W659-W688 HydrophobicContact CH2-CH2 3.74Å; W659-W688 AromaticContact CH2-CZ3 3.93Å; W659-W688 HydrophobicContact CH2-CZ3 3.93Å; W659-W688 AromaticContact CZ2-CH2 3.69Å; W659-W688 HydrophobicContact CZ2-CH2 3.69Å; W659-W688 HydrophobicContact CZ2-CZ3 4.31Å; W659-W688 AromaticContact CZ3-CH2 3.78Å; W659-W688 HydrophobicContact CZ3-CH2 3.78Å; W659-W688 AromaticContact CZ3-CZ3 3.9Å; W659-W688 HydrophobicContact CZ3-CZ3 3.9Å; W659-F689 HydrophobicContact CH2-CE1 4.46Å; W659-F689 HydrophobicContact CH2-CZ 4.4Å; W659-F689 HydrophobicContact CZ3-CZ 4.4Å |
| 660 | A | 79.4 | Confident | 79 | Confident | 61 Ų | 61 | 49 Ų | 49 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A656 S657 S658 G663 V664 | A656-A660 VanDerWaalsContact O-CB 3.28Å; A656-A660 WeakPolarHBondContact O-CB 3.48Å; A656-A660 PolarHBondContact O-N 3.05Å; S657-A660 PolarHBondContact O-N 3.11Å; S658-A660 VanDerWaalsContact C-N 3.35Å; S658-A660 PolarHBondContact O-N 3.43Å; A660-G663 PolarHBondContact O-N 2.83Å; A660-V664 WeakPolarHBondContact O-CG2 3.4Å; A660-V664 PolarHBondContact O-N 3.5Å |
| 661 | A | 73.9 | Confident | 79.2 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S657 S658 W659 G663 V664 A665 | S657-A661 WeakPolarHBondContact O-CB 2.98Å; S657-A661 PolarHBondContact O-N 2.69Å; S658-A661 PolarHBondContact O-N 2.91Å; W659-A661 VanDerWaalsContact C-N 3.34Å; A661-G663 PolarHBondContact O-N 2.71Å; A661-V664 PolarHBondContact O-N 2.86Å; A661-A665 WeakPolarHBondContact O-CB 3.44Å; A661-A665 PolarHBondContact O-N 2.93Å |
| 662 | T | 73.2 | Confident | 79.1 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | S658 W659 V664 A665 L666 V685 W688 F689 | S658-T662 PolarHBondContact O-N 2.93Å; S658-T662 PolarHBondContact O-OG1 3.42Å; S658-T662 VanDerWaalsContact O-OG1 3.13Å; W659-T662 PolarHBondContact O-N 2.8Å; T662-V664 VanDerWaalsContact C-N 3.35Å; T662-V664 PolarHBondContact O-N 3.4Å; T662-A665 PolarHBondContact O-N 2.99Å; T662-L666 HydrophobicContact CG2-CD1 4.39Å; T662-L666 WeakPolarHBondContact O-CG 3.33Å; T662-L666 PolarHBondContact O-N 3.2Å; T662-V685 HydrophobicContact CG2-CG1 4.26Å; T662-W688 HydrophobicContact CG2-CE3 3.94Å; T662-W688 HydrophobicContact CG2-CZ3 3.98Å; T662-F689 HydrophobicContact CG2-CE2 4.41Å |
| 663 | G | 77.5 | Confident | 79.3 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W659 A660 A661 A667 | W659-G663 PolarHBondContact O-N 2.98Å; A660-G663 PolarHBondContact O-N 2.83Å; A661-G663 PolarHBondContact O-N 2.71Å; G663-A667 WeakPolarHBondContact O-CB 3.49Å; G663-A667 PolarHBondContact O-N 2.98Å |
| 664 | V | 79 | Confident | 79.2 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 173.9 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | A660 A661 T662 L666 A667 C668 | A660-V664 WeakPolarHBondContact O-CG2 3.4Å; A660-V664 PolarHBondContact O-N 3.5Å; A661-V664 PolarHBondContact O-N 2.86Å; T662-V664 VanDerWaalsContact C-N 3.35Å; T662-V664 PolarHBondContact O-N 3.4Å; V664-L666 PolarHBondContact O-N 3.16Å; V664-A667 PolarHBondContact O-N 2.79Å; V664-C668 WeakPolarHBondContact O-CB 3.4Å; V664-C668 PolarHBondContact O-N 2.74Å; V664-C668 PolarHBondContact O-SG 3.5Å; V664-C668 VanDerWaalsContact O-SG 3.32Å |
| 665 | A | 76 | Confident | 79.4 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 19% | 0.19 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A661 T662 A667 C668 V669 T681 V685 | A661-A665 WeakPolarHBondContact O-CB 3.44Å; A661-A665 PolarHBondContact O-N 2.93Å; T662-A665 PolarHBondContact O-N 2.99Å; A665-A667 PolarHBondContact O-N 2.84Å; A665-C668 CarbonylContact O-C 3.6Å; A665-C668 WeakPolarHBondContact O-CB 3.17Å; A665-C668 PolarHBondContact O-N 2.97Å; A665-C668 VanDerWaalsContact O-N 3.16Å; A665-V669 WeakPolarHBondContact O-CG2 3.43Å; A665-V669 PolarHBondContact O-N 3.43Å; A665-T681 HydrophobicContact CB-CG2 4Å; A665-T681 WeakPolarHBondContact O-CG2 3.42Å; A665-V685 HydrophobicContact CB-CG2 3.78Å |
| 666 | L | 78.9 | Confident | 79.3 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 33% | 0.325 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 174 | -77 | 170.7 | 0 | 0 | 0 | 111.7 | T662 V664 C668 V669 F670 V685 | T662-L666 HydrophobicContact CG2-CD1 4.39Å; T662-L666 WeakPolarHBondContact O-CG 3.33Å; T662-L666 PolarHBondContact O-N 3.2Å; V664-L666 PolarHBondContact O-N 3.16Å; L666-C668 VanDerWaalsContact C-N 3.27Å; L666-C668 PolarHBondContact O-N 2.8Å; L666-V669 WeakPolarHBondContact O-CB 3.5Å; L666-V669 PolarHBondContact O-N 3.17Å; L666-V669 VanDerWaalsContact O-N 3.17Å; L666-F670 WeakPolarHBondContact O-CD2 3.46Å; L666-F670 PolarHBondContact O-N 2.73Å; L666-V685 HydrophobicContact CD2-CG1 4.03Å; L666-V685 HydrophobicContact CD2-CG2 4.3Å; L666-V685 HydrophobicContact CG-CG1 4.31Å; L666-V685 HydrophobicContact CG-CG2 4.25Å |
| 667 | A | 80.5 | Confident | 78.9 | Confident | 58 Ų | 58 | 83.7 Ų | 83.7 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G663 V664 A665 F670 K671 | G663-A667 WeakPolarHBondContact O-CB 3.49Å; G663-A667 PolarHBondContact O-N 2.98Å; V664-A667 PolarHBondContact O-N 2.79Å; A665-A667 PolarHBondContact O-N 2.84Å; A667-F670 PolarHBondContact O-N 3.26Å; A667-K671 WeakPolarHBondContact O-CB 3.04Å; A667-K671 PolarHBondContact O-N 3.46Å |
| 668 | C | 79.5 | Confident | 78.9 | Confident | 39 Ų | 39 | 86.8 Ų | 86.8 | 26% | 0.264 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 174.5 | -76 | 0 | 0 | 0 | 0 | 112.4 | V664 A665 L666 F670 K671 F672 T681 | V664-C668 WeakPolarHBondContact O-CB 3.4Å; V664-C668 PolarHBondContact O-N 2.74Å; V664-C668 PolarHBondContact O-SG 3.5Å; V664-C668 VanDerWaalsContact O-SG 3.32Å; A665-C668 CarbonylContact O-C 3.6Å; A665-C668 WeakPolarHBondContact O-CB 3.17Å; A665-C668 PolarHBondContact O-N 2.97Å; A665-C668 VanDerWaalsContact O-N 3.16Å; L666-C668 VanDerWaalsContact C-N 3.27Å; L666-C668 PolarHBondContact O-N 2.8Å; C668-F670 VanDerWaalsContact C-N 3.28Å; C668-F670 PolarHBondContact O-N 3.37Å; C668-K671 PolarHBondContact O-N 2.76Å; C668-K671 VanDerWaalsContact O-N 3.09Å; C668-F672 HydrophobicContact CB-CD2 4.14Å; C668-F672 HydrophobicContact CB-CE2 3.63Å; C668-F672 HydrophobicContact CB-CZ 3.89Å; C668-F672 WeakPolarHBondContact O-CB 3.37Å; C668-F672 WeakPolarHBondContact O-CD2 3.42Å; C668-F672 WeakPolarHBondContact O-CG 3.22Å; C668-F672 PolarHBondContact O-N 2.83Å; C668-T681 HydrophobicContact CB-CG2 4.41Å |
| 669 | V | 76.6 | Confident | 78.9 | Confident | 18 Ų | 18 | 90 Ų | 90 | 11% | 0.109 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -57.3 | -42 | 174.2 | 173 | 0 | 0 | 0 | 0 | 111.2 | A665 L666 K678 T681 F682 | A665-V669 WeakPolarHBondContact O-CG2 3.43Å; A665-V669 PolarHBondContact O-N 3.43Å; L666-V669 WeakPolarHBondContact O-CB 3.5Å; L666-V669 PolarHBondContact O-N 3.17Å; L666-V669 VanDerWaalsContact O-N 3.17Å; V669-K678 WeakPolarHBondContact O-CD 3.26Å; V669-K678 VanDerWaalsContact O-CE 3.28Å; V669-K678 WeakPolarHBondContact O-CE 3.35Å; V669-K678 WeakPolarHBondContact O-CG 3.32Å; V669-T681 HydrophobicContact CG2-CG2 3.67Å; V669-F682 HydrophobicContact CG1-CB 4.43Å; V669-F682 HydrophobicContact CG2-CB 4.1Å |
| 670 | F | 85.8 | Confident | 78.4 | Confident | 169 Ų | 169 | 87.5 Ų | 87.5 | 74% | 0.741 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.2 | -30.1 | 176.7 | -65.6 | -65.2 | 0 | 0 | 0 | 113.1 | L666 A667 C668 | L666-F670 WeakPolarHBondContact O-CD2 3.46Å; L666-F670 PolarHBondContact O-N 2.73Å; A667-F670 PolarHBondContact O-N 3.26Å; C668-F670 VanDerWaalsContact C-N 3.28Å; C668-F670 PolarHBondContact O-N 3.37Å |
| 671 | K | 86.5 | Confident | 77.9 | Confident | 181 Ų | 181 | 85.4 Ų | 85.4 | 79% | 0.787 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -89.5 | -28.1 | -175.9 | -168.3 | 173.5 | -179.8 | 177.4 | 0 | 114.3 | A667 C668 | A667-K671 WeakPolarHBondContact O-CB 3.04Å; A667-K671 PolarHBondContact O-N 3.46Å; C668-K671 PolarHBondContact O-N 2.76Å; C668-K671 VanDerWaalsContact O-N 3.09Å |
| 672 | F | 80.9 | Confident | 78 | Confident | 69 Ų | 69 | 87.9 Ų | 87.9 | 30% | 0.303 | 45% | 0.448 | S | S | . | . | trans | -62.5 | 141.2 | 179.3 | -74.7 | -38.5 | 0 | 0 | 0 | 110.4 | C668 K677 K678 T681 | C668-F672 HydrophobicContact CB-CD2 4.14Å; C668-F672 HydrophobicContact CB-CE2 3.63Å; C668-F672 HydrophobicContact CB-CZ 3.89Å; C668-F672 WeakPolarHBondContact O-CB 3.37Å; C668-F672 WeakPolarHBondContact O-CD2 3.42Å; C668-F672 WeakPolarHBondContact O-CG 3.22Å; C668-F672 PolarHBondContact O-N 2.83Å; F672-K677 HydrophobicContact CB-CB 4.24Å; F672-K677 HydrophobicContact CD1-CB 4.46Å; F672-K677 HydrophobicContact CD1-CD 4.31Å; F672-K677 HydrophobicContact CD2-CB 3.82Å; F672-K677 HydrophobicContact CE1-CD 4.42Å; F672-K677 HydrophobicContact CE2-CB 4.28Å; F672-K677 HydrophobicContact CG-CB 3.93Å; F672-K678 HydrophobicContact CB-CG 3.93Å; F672-K678 WeakPolarHBondContact O-CE 3.08Å; F672-T681 HydrophobicContact CE2-CG2 4.35Å; F672-T681 VanDerWaalsContact CE2-OG1 3.29Å; F672-T681 WeakPolarHBondContact CE2-OG1 3.45Å | ||
| 673 | K | 85.6 | Confident | 77.7 | Confident | 208 Ų | 208 | 88.7 Ų | 88.7 | 90% | 0.904 | 46% | 0.458 | S | S | * | . | trans | -92.6 | -32.7 | 174.8 | -66.4 | -174.1 | 178.7 | -177.8 | 0 | 112 | ||||
| 674 | S | 82 | Confident | 77.2 | Confident | 48 Ų | 48 | 90.4 Ų | 90.4 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -76.8 | 133.2 | -179 | 105.8 | 0 | 0 | 0 | 0 | 110.9 | E676 K677 K678 | S674-E676 VanDerWaalsContact C-N 3.3Å; S674-E676 PolarHBondContact O-N 2.99Å; S674-K677 PolarHBondContact O-N 3.3Å; S674-K677 WeakPolarHBondContact OG-CB 3.22Å; S674-K677 WeakPolarHBondContact OG-CG 3.09Å; S674-K677 PolarHBondContact OG-N 2.87Å; S674-K678 WeakPolarHBondContact O-CG 3.36Å; S674-K678 PolarHBondContact O-N 3.33Å; S674-K678 VanDerWaalsContact O-N 3.16Å |
| 675 | K | 85.3 | Confident | 76.8 | Confident | 173 Ų | 173 | 86.4 Ų | 86.4 | 75% | 0.752 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 178.3 | -170.7 | 179.2 | 179.2 | -174.9 | 0 | 111.2 | K678 T679 | K675-K678 WeakPolarHBondContact O-CB 3.48Å; K675-K678 PolarHBondContact O-N 3.24Å; K675-T679 PolarHBondContact O-N 2.66Å; K675-T679 PolarHBondContact O-OG1 3.39Å; K675-T679 VanDerWaalsContact O-OG1 3.09Å |
| 676 | E | 73.5 | Confident | 76.3 | Confident | 154 Ų | 154 | 88.5 Ų | 88.5 | 72% | 0.72 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.1 | -52.9 | 176.6 | -173.2 | -168.4 | 168.1 | 0 | 0 | 112.3 | S674 K678 T679 L680 | S674-E676 VanDerWaalsContact C-N 3.3Å; S674-E676 PolarHBondContact O-N 2.99Å; E676-K678 VanDerWaalsContact C-N 3.28Å; E676-K678 PolarHBondContact O-N 2.88Å; E676-T679 PolarHBondContact O-N 3.01Å; E676-L680 VanDerWaalsContact O-CB 3.3Å; E676-L680 WeakPolarHBondContact O-CB 3.4Å; E676-L680 PolarHBondContact O-N 3.27Å |
| 677 | K | 71.4 | Confident | 75.4 | Confident | 120 Ų | 120 | 86.7 Ų | 86.7 | 52% | 0.522 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 178.8 | -72.3 | -177.6 | -178.4 | -174.1 | 0 | 111.9 | F672 S674 T681 | F672-K677 HydrophobicContact CB-CB 4.24Å; F672-K677 HydrophobicContact CD1-CB 4.46Å; F672-K677 HydrophobicContact CD1-CD 4.31Å; F672-K677 HydrophobicContact CD2-CB 3.82Å; F672-K677 HydrophobicContact CE1-CD 4.42Å; F672-K677 HydrophobicContact CE2-CB 4.28Å; F672-K677 HydrophobicContact CG-CB 3.93Å; S674-K677 PolarHBondContact O-N 3.3Å; S674-K677 WeakPolarHBondContact OG-CB 3.22Å; S674-K677 WeakPolarHBondContact OG-CG 3.09Å; S674-K677 PolarHBondContact OG-N 2.87Å; K677-T681 VanDerWaalsContact O-CB 3.27Å; K677-T681 WeakPolarHBondContact O-CB 3.32Å; K677-T681 PolarHBondContact O-N 3.12Å; K677-T681 PolarHBondContact O-OG1 3.44Å |
| 678 | K | 80.1 | Confident | 74.5 | Confident | 82 Ų | 82 | 86 Ų | 86 | 36% | 0.357 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.2 | -54.5 | 174.5 | -73.5 | -167.5 | -178 | -169.5 | 0 | 111.6 | V669 F672 S674 K675 E676 L680 T681 F682 | V669-K678 WeakPolarHBondContact O-CD 3.26Å; V669-K678 VanDerWaalsContact O-CE 3.28Å; V669-K678 WeakPolarHBondContact O-CE 3.35Å; V669-K678 WeakPolarHBondContact O-CG 3.32Å; F672-K678 HydrophobicContact CB-CG 3.93Å; F672-K678 WeakPolarHBondContact O-CE 3.08Å; S674-K678 WeakPolarHBondContact O-CG 3.36Å; S674-K678 PolarHBondContact O-N 3.33Å; S674-K678 VanDerWaalsContact O-N 3.16Å; K675-K678 WeakPolarHBondContact O-CB 3.48Å; K675-K678 PolarHBondContact O-N 3.24Å; E676-K678 VanDerWaalsContact C-N 3.28Å; E676-K678 PolarHBondContact O-N 2.88Å; K678-L680 VanDerWaalsContact C-N 3.31Å; K678-L680 PolarHBondContact O-N 3.24Å; K678-T681 PolarHBondContact O-N 3.27Å; K678-F682 WeakPolarHBondContact O-CB 3.2Å; K678-F682 PolarHBondContact O-N 2.86Å |
| 679 | T | 74.4 | Confident | 73.5 | Confident | 93 Ų | 93 | 87.7 Ų | 87.7 | 57% | 0.571 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | -178.8 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | K675 E676 F682 G683 | K675-T679 PolarHBondContact O-N 2.66Å; K675-T679 PolarHBondContact O-OG1 3.39Å; K675-T679 VanDerWaalsContact O-OG1 3.09Å; E676-T679 PolarHBondContact O-N 3.01Å; T679-F682 PolarHBondContact O-N 2.81Å; T679-G683 PolarHBondContact O-N 3.27Å |
| 680 | L | 66.2 | Low | 72.3 | Confident | 82 Ų | 82 | 92.1 Ų | 92.1 | 43% | 0.429 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.3 | -50 | 179 | -174.2 | 65.7 | 0 | 0 | 0 | 112.1 | E676 K678 F682 G683 Y684 | E676-L680 VanDerWaalsContact O-CB 3.3Å; E676-L680 WeakPolarHBondContact O-CB 3.4Å; E676-L680 PolarHBondContact O-N 3.27Å; K678-L680 VanDerWaalsContact C-N 3.31Å; K678-L680 PolarHBondContact O-N 3.24Å; L680-F682 VanDerWaalsContact C-N 3.34Å; L680-F682 PolarHBondContact O-N 3.33Å; L680-G683 WeakPolarHBondContact O-CA 3.45Å; L680-G683 PolarHBondContact O-N 3.03Å; L680-Y684 HydrophobicContact CD1-CE1 3.99Å; L680-Y684 WeakPolarHBondContact CD1-OH 3.33Å; L680-Y684 HydrophobicContact CD2-CE2 4.43Å; L680-Y684 WeakPolarHBondContact CD2-OH 3.29Å; L680-Y684 HydrophobicContact CG-CE1 4.22Å; L680-Y684 HydrophobicContact CG-CE2 3.93Å; L680-Y684 VanDerWaalsContact CG-OH 3.26Å; L680-Y684 WeakPolarHBondContact CG-OH 3.41Å; L680-Y684 PolarHBondContact O-N 3.49Å |
| 681 | T | 69.4 | Low | 70.5 | Confident | 17 Ų | 17 | 84.4 Ų | 84.4 | 10% | 0.104 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | -179.6 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | A665 C668 V669 F672 K677 K678 G683 Y684 V685 | A665-T681 HydrophobicContact CB-CG2 4Å; A665-T681 WeakPolarHBondContact O-CG2 3.42Å; C668-T681 HydrophobicContact CB-CG2 4.41Å; V669-T681 HydrophobicContact CG2-CG2 3.67Å; F672-T681 HydrophobicContact CE2-CG2 4.35Å; F672-T681 VanDerWaalsContact CE2-OG1 3.29Å; F672-T681 WeakPolarHBondContact CE2-OG1 3.45Å; K677-T681 VanDerWaalsContact O-CB 3.27Å; K677-T681 WeakPolarHBondContact O-CB 3.32Å; K677-T681 PolarHBondContact O-N 3.12Å; K677-T681 PolarHBondContact O-OG1 3.44Å; K678-T681 PolarHBondContact O-N 3.27Å; T681-G683 VanDerWaalsContact C-N 3.33Å; T681-Y684 WeakPolarHBondContact O-CB 3.45Å; T681-Y684 PolarHBondContact O-N 2.95Å; T681-V685 PolarHBondContact O-N 3.25Å |
| 682 | F | 75.2 | Confident | 68.5 | Low | 108 Ų | 108 | 76 Ų | 76 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 173.6 | -174.1 | -103.5 | 0 | 0 | 0 | 111.3 | V669 K678 T679 L680 Y684 V685 I686 | V669-F682 HydrophobicContact CG1-CB 4.43Å; V669-F682 HydrophobicContact CG2-CB 4.1Å; K678-F682 WeakPolarHBondContact O-CB 3.2Å; K678-F682 PolarHBondContact O-N 2.86Å; T679-F682 PolarHBondContact O-N 2.81Å; L680-F682 VanDerWaalsContact C-N 3.34Å; L680-F682 PolarHBondContact O-N 3.33Å; F682-Y684 VanDerWaalsContact C-N 3.32Å; F682-Y684 PolarHBondContact O-N 3.1Å; F682-V685 WeakPolarHBondContact O-CB 3.46Å; F682-V685 PolarHBondContact O-N 3.28Å; F682-V685 VanDerWaalsContact O-N 3.15Å; F682-I686 HydrophobicContact CD1-CG1 4.03Å; F682-I686 HydrophobicContact CE1-CD1 4.04Å; F682-I686 HydrophobicContact CE1-CG1 3.65Å; F682-I686 HydrophobicContact CZ-CD1 3.89Å; F682-I686 HydrophobicContact CZ-CG1 3.95Å; F682-I686 WeakPolarHBondContact O-CG1 3.41Å; F682-I686 PolarHBondContact O-N 3.34Å |
| 683 | G | 68.1 | Low | 66.8 | Low | 26 Ų | 26 | 75.1 Ų | 75.1 | 27% | 0.268 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52.9 | -47.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | T679 L680 T681 V685 I686 T687 | T679-G683 PolarHBondContact O-N 3.27Å; L680-G683 WeakPolarHBondContact O-CA 3.45Å; L680-G683 PolarHBondContact O-N 3.03Å; T681-G683 VanDerWaalsContact C-N 3.33Å; G683-V685 VanDerWaalsContact C-N 3.34Å; G683-V685 PolarHBondContact O-N 3.37Å; G683-I686 PolarHBondContact O-N 2.8Å; G683-T687 WeakPolarHBondContact O-CB 3.35Å; G683-T687 PolarHBondContact O-N 3Å; G683-T687 PolarHBondContact O-OG1 2.81Å; G683-T687 VanDerWaalsContact O-OG1 3.05Å |
| 684 | Y | 67.2 | Low | 64.6 | Low | 77 Ų | 77 | 65.3 Ų | 65.3 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 176.4 | -56.2 | -32.5 | 0 | 0 | 0 | 113.5 | I439 L443 L680 T681 F682 W688 | I439-Y684 HydrophobicContact CG2-CE1 3.94Å; I439-Y684 WeakPolarHBondContact CG2-OH 3.14Å; L443-Y684 HydrophobicContact CD1-CD1 3.93Å; L443-Y684 HydrophobicContact CD1-CE1 3.75Å; L680-Y684 HydrophobicContact CD1-CE1 3.99Å; L680-Y684 WeakPolarHBondContact CD1-OH 3.33Å; L680-Y684 HydrophobicContact CD2-CE2 4.43Å; L680-Y684 WeakPolarHBondContact CD2-OH 3.29Å; L680-Y684 HydrophobicContact CG-CE1 4.22Å; L680-Y684 HydrophobicContact CG-CE2 3.93Å; L680-Y684 VanDerWaalsContact CG-OH 3.26Å; L680-Y684 WeakPolarHBondContact CG-OH 3.41Å; L680-Y684 PolarHBondContact O-N 3.49Å; T681-Y684 WeakPolarHBondContact O-CB 3.45Å; T681-Y684 PolarHBondContact O-N 2.95Å; F682-Y684 VanDerWaalsContact C-N 3.32Å; F682-Y684 PolarHBondContact O-N 3.1Å; Y684-W688 VanDerWaalsContact O-CB 3.25Å; Y684-W688 WeakPolarHBondContact O-CB 3.34Å; Y684-W688 PolarHBondContact O-N 2.88Å |
| 685 | V | 69 | Low | 62.7 | Low | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | T662 A665 L666 T681 F682 G683 W688 F689 | T662-V685 HydrophobicContact CG2-CG1 4.26Å; A665-V685 HydrophobicContact CB-CG2 3.78Å; L666-V685 HydrophobicContact CD2-CG1 4.03Å; L666-V685 HydrophobicContact CD2-CG2 4.3Å; L666-V685 HydrophobicContact CG-CG1 4.31Å; L666-V685 HydrophobicContact CG-CG2 4.25Å; T681-V685 PolarHBondContact O-N 3.25Å; F682-V685 WeakPolarHBondContact O-CB 3.46Å; F682-V685 PolarHBondContact O-N 3.28Å; F682-V685 VanDerWaalsContact O-N 3.15Å; G683-V685 VanDerWaalsContact C-N 3.34Å; G683-V685 PolarHBondContact O-N 3.37Å; V685-W688 WeakPolarHBondContact O-CB 3.49Å; V685-W688 PolarHBondContact O-N 3.1Å; V685-F689 HydrophobicContact CG1-CD2 3.81Å; V685-F689 HydrophobicContact CG1-CE2 3.91Å; V685-F689 VanDerWaalsContact O-CD2 3.31Å; V685-F689 WeakPolarHBondContact O-CD2 3.15Å; V685-F689 PolarHBondContact O-N 3.4Å |
| 686 | I | 66.8 | Low | 60.4 | Low | 67 Ų | 67 | 60 Ų | 60 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 178.1 | -67.1 | -64.1 | 0 | 0 | 0 | 111.5 | F682 G683 W688 F689 L690 | F682-I686 HydrophobicContact CD1-CG1 4.03Å; F682-I686 HydrophobicContact CE1-CD1 4.04Å; F682-I686 HydrophobicContact CE1-CG1 3.65Å; F682-I686 HydrophobicContact CZ-CD1 3.89Å; F682-I686 HydrophobicContact CZ-CG1 3.95Å; F682-I686 WeakPolarHBondContact O-CG1 3.41Å; F682-I686 PolarHBondContact O-N 3.34Å; G683-I686 PolarHBondContact O-N 2.8Å; I686-W688 PolarHBondContact O-N 3.26Å; I686-F689 PolarHBondContact O-N 2.76Å; I686-F689 VanDerWaalsContact O-N 3.12Å; I686-L690 HydrophobicContact CG2-CD1 3.51Å; I686-L690 HydrophobicContact CG2-CG 4.04Å; I686-L690 WeakPolarHBondContact O-CB 3.45Å; I686-L690 PolarHBondContact O-N 3.06Å |
| 687 | T | 60.3 | Low | 58.6 | Low | 25 Ų | 25 | 53.5 Ų | 53.5 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | L447 G683 G691 | L447-T687 HydrophobicContact CD2-CG2 3.92Å; L447-T687 HydrophobicContact CG-CG2 4.27Å; G683-T687 WeakPolarHBondContact O-CB 3.35Å; G683-T687 PolarHBondContact O-N 3Å; G683-T687 PolarHBondContact O-OG1 2.81Å; G683-T687 VanDerWaalsContact O-OG1 3.05Å; T687-G691 WeakPolarHBondContact O-CA 3.47Å; T687-G691 PolarHBondContact O-N 3.19Å |
| 688 | W | 60.4 | Low | 57 | Low | 42 Ų | 42 | 48.4 Ų | 48.4 | 16% | 0.159 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 174.9 | -177 | 84.3 | 0 | 0 | 0 | 112.5 | W659 T662 Y684 V685 I686 G694 | W659-W688 AromaticContact CD2-CH2 3.73Å; W659-W688 HydrophobicContact CD2-CH2 3.73Å; W659-W688 HydrophobicContact CD2-CZ2 4.44Å; W659-W688 AromaticContact CE2-CH2 3.67Å; W659-W688 AromaticContact CE3-CH2 3.78Å; W659-W688 HydrophobicContact CE3-CH2 3.78Å; W659-W688 HydrophobicContact CE3-CZ3 4.27Å; W659-W688 HydrophobicContact CG-CH2 4.45Å; W659-W688 AromaticContact CH2-CH2 3.74Å; W659-W688 HydrophobicContact CH2-CH2 3.74Å; W659-W688 AromaticContact CH2-CZ3 3.93Å; W659-W688 HydrophobicContact CH2-CZ3 3.93Å; W659-W688 AromaticContact CZ2-CH2 3.69Å; W659-W688 HydrophobicContact CZ2-CH2 3.69Å; W659-W688 HydrophobicContact CZ2-CZ3 4.31Å; W659-W688 AromaticContact CZ3-CH2 3.78Å; W659-W688 HydrophobicContact CZ3-CH2 3.78Å; W659-W688 AromaticContact CZ3-CZ3 3.9Å; W659-W688 HydrophobicContact CZ3-CZ3 3.9Å; T662-W688 HydrophobicContact CG2-CE3 3.94Å; T662-W688 HydrophobicContact CG2-CZ3 3.98Å; Y684-W688 VanDerWaalsContact O-CB 3.25Å; Y684-W688 WeakPolarHBondContact O-CB 3.34Å; Y684-W688 PolarHBondContact O-N 2.88Å; V685-W688 WeakPolarHBondContact O-CB 3.49Å; V685-W688 PolarHBondContact O-N 3.1Å; I686-W688 PolarHBondContact O-N 3.26Å; W688-G694 PolarHBondContact O-N 3.28Å |
| 689 | F | 58.8 | Low | 54.9 | Low | 75 Ų | 75 | 47.2 Ų | 47.2 | 33% | 0.329 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.9 | -50.1 | 176.3 | -93.1 | -74.5 | 0 | 0 | 0 | 113.6 | W659 T662 V685 I686 I696 | W659-F689 HydrophobicContact CH2-CE1 4.46Å; W659-F689 HydrophobicContact CH2-CZ 4.4Å; W659-F689 HydrophobicContact CZ3-CZ 4.4Å; T662-F689 HydrophobicContact CG2-CE2 4.41Å; V685-F689 HydrophobicContact CG1-CD2 3.81Å; V685-F689 HydrophobicContact CG1-CE2 3.91Å; V685-F689 VanDerWaalsContact O-CD2 3.31Å; V685-F689 WeakPolarHBondContact O-CD2 3.15Å; V685-F689 PolarHBondContact O-N 3.4Å; I686-F689 PolarHBondContact O-N 2.76Å; I686-F689 VanDerWaalsContact O-N 3.12Å; F689-I696 HydrophobicContact CD1-CD1 3.63Å; F689-I696 HydrophobicContact CE1-CD1 4.15Å |
| 690 | L | 51.5 | Low | 53.1 | Low | 112 Ų | 112 | 47.7 Ų | 47.7 | 59% | 0.586 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -76.8 | -31.2 | -177 | -69.3 | 178.4 | 0 | 0 | 0 | 112.4 | T450 I686 G692 | T450-L690 VanDerWaalsContact CG2-O 3.26Å; T450-L690 WeakPolarHBondContact CG2-O 3.09Å; I686-L690 HydrophobicContact CG2-CD1 3.51Å; I686-L690 HydrophobicContact CG2-CG 4.04Å; I686-L690 WeakPolarHBondContact O-CB 3.45Å; I686-L690 PolarHBondContact O-N 3.06Å; L690-G692 PolarHBondContact O-N 2.67Å |
| 691 | G | 48.2 | Very low | 51.7 | Low | 7 Ų | 7 | 46 Ų | 46 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -10.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T450 T687 V693 | T450-G691 VanDerWaalsContact OG1-CA 3.23Å; T450-G691 WeakPolarHBondContact OG1-CA 3.33Å; T687-G691 WeakPolarHBondContact O-CA 3.47Å; T687-G691 PolarHBondContact O-N 3.19Å; G691-V693 VanDerWaalsContact O-CG2 3.32Å; G691-V693 WeakPolarHBondContact O-CG2 3.49Å; G691-V693 PolarHBondContact O-N 3.25Å |
| 692 | G | 44 | Very low | 50 | Low | 4 Ų | 4 | 47.1 Ų | 47.1 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 67 | -20.7 | -161.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L690 G694 V695 I717 | L690-G692 PolarHBondContact O-N 2.67Å; G692-G694 CarbonylContact O-C 3.57Å; G692-G694 VanDerWaalsContact O-C 3.31Å; G692-G694 PolarHBondContact O-N 3.3Å; G692-V695 PolarHBondContact O-N 3.12Å; G692-I717 WeakPolarHBondContact O-CG2 3.06Å |
| 693 | V | 45.3 | Very low | 48.1 | Very low | 50 Ų | 50 | 47.7 Ų | 47.7 | 30% | 0.303 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -11.5 | -177.8 | -153.4 | 0 | 0 | 0 | 0 | 113.8 | G691 I717 | G691-V693 VanDerWaalsContact O-CG2 3.32Å; G691-V693 WeakPolarHBondContact O-CG2 3.49Å; G691-V693 PolarHBondContact O-N 3.25Å; V693-I717 VanDerWaalsContact C-CD1 3.42Å; V693-I717 VanDerWaalsContact CA-CB 3.48Å; V693-I717 HydrophobicContact CB-CB 4.07Å; V693-I717 HydrophobicContact CB-CG2 4.02Å; V693-I717 HydrophobicContact CG1-CB 3.83Å; V693-I717 HydrophobicContact CG1-CG1 4.18Å; V693-I717 HydrophobicContact CG1-CG2 4.35Å; V693-I717 HydrophobicContact CG2-CB 4.4Å; V693-I717 HydrophobicContact CG2-CG2 4.12Å; V693-I717 WeakPolarHBondContact O-CD1 3.48Å |
| 694 | G | 39.3 | Very low | 46.7 | Very low | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 75.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W688 G692 I696 | W688-G694 PolarHBondContact O-N 3.28Å; G692-G694 CarbonylContact O-C 3.57Å; G692-G694 VanDerWaalsContact O-C 3.31Å; G692-G694 PolarHBondContact O-N 3.3Å; G694-I696 VanDerWaalsContact C-N 3.26Å; G694-I696 PolarHBondContact O-N 3.11Å |
| 695 | V | 43.1 | Very low | 45.2 | Very low | 28 Ų | 28 | 46.8 Ų | 46.8 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 68.9 | -5.7 | 134.4 | -177.7 | 0 | 0 | 0 | 0 | 117.7 | L655 G692 S697 G698 A699 I717 | L655-V695 HydrophobicContact CD2-CB 4.42Å; L655-V695 HydrophobicContact CD2-CG2 3.3Å; G692-V695 PolarHBondContact O-N 3.12Å; V695-S697 PolarHBondContact O-N 3.05Å; V695-G698 CarbonylContact O-C 3.56Å; V695-G698 WeakPolarHBondContact O-CA 3.07Å; V695-G698 PolarHBondContact O-N 3.12Å; V695-A699 HydrophobicContact CG1-CB 4.4Å; V695-A699 WeakPolarHBondContact O-CB 2.95Å; V695-A699 PolarHBondContact O-N 3.02Å; V695-I717 HydrophobicContact CG2-CD1 4.24Å |
| 696 | I | 35.7 | Very low | 43.8 | Very low | 80 Ų | 80 | 49 Ų | 49 | 41% | 0.41 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 178.7 | -71.1 | -179.2 | 0 | 0 | 0 | 111.6 | F689 G694 I700 | F689-I696 HydrophobicContact CD1-CD1 3.63Å; F689-I696 HydrophobicContact CE1-CD1 4.15Å; G694-I696 VanDerWaalsContact C-N 3.26Å; G694-I696 PolarHBondContact O-N 3.11Å; I696-I700 HydrophobicContact CG2-CD1 3.79Å; I696-I700 HydrophobicContact CG2-CG1 4.41Å; I696-I700 WeakPolarHBondContact O-CB 3.21Å; I696-I700 WeakPolarHBondContact O-CG1 3.17Å; I696-I700 PolarHBondContact O-N 2.84Å |
| 697 | S | 36.4 | Very low | 42.6 | Very low | 18 Ų | 18 | 51.8 Ų | 51.8 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68 | -43.9 | 168.6 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | V695 A699 T701 | V695-S697 PolarHBondContact O-N 3.05Å; S697-A699 VanDerWaalsContact C-N 3.28Å; S697-A699 PolarHBondContact O-N 3.25Å; S697-T701 VanDerWaalsContact O-CA 3.31Å; S697-T701 WeakPolarHBondContact O-CA 3Å; S697-T701 WeakPolarHBondContact O-CB 2.92Å; S697-T701 PolarHBondContact O-N 3.09Å; S697-T701 PolarHBondContact O-OG1 3.1Å |
| 698 | G | 38 | Very low | 41.5 | Very low | 14 Ų | 14 | 55.6 Ų | 55.6 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V695 G702 | V695-G698 CarbonylContact O-C 3.56Å; V695-G698 WeakPolarHBondContact O-CA 3.07Å; V695-G698 PolarHBondContact O-N 3.12Å; G698-G702 WeakPolarHBondContact O-CA 3.47Å; G698-G702 PolarHBondContact O-N 3.35Å |
| 699 | A | 35.1 | Very low | 40 | Very low | 57 Ų | 57 | 60.4 Ų | 60.4 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -81.6 | -46.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | V695 S697 L703 | V695-A699 HydrophobicContact CG1-CB 4.4Å; V695-A699 WeakPolarHBondContact O-CB 2.95Å; V695-A699 PolarHBondContact O-N 3.02Å; S697-A699 VanDerWaalsContact C-N 3.28Å; S697-A699 PolarHBondContact O-N 3.25Å; A699-L703 WeakPolarHBondContact O-CB 3.4Å; A699-L703 PolarHBondContact O-N 3.04Å |
| 700 | I | 37.8 | Very low | 38.6 | Very low | 103 Ų | 103 | 62 Ų | 62 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.1 | -44.9 | 176.6 | -66.2 | 176.2 | 0 | 0 | 0 | 109.6 | I696 L703 V704 | I696-I700 HydrophobicContact CG2-CD1 3.79Å; I696-I700 HydrophobicContact CG2-CG1 4.41Å; I696-I700 WeakPolarHBondContact O-CB 3.21Å; I696-I700 WeakPolarHBondContact O-CG1 3.17Å; I696-I700 PolarHBondContact O-N 2.84Å; I700-L703 PolarHBondContact O-N 3.36Å; I700-V704 HydrophobicContact CG2-CG2 4.24Å; I700-V704 VanDerWaalsContact O-CB 3.29Å; I700-V704 WeakPolarHBondContact O-CB 3.49Å; I700-V704 WeakPolarHBondContact O-CG2 3.18Å; I700-V704 PolarHBondContact O-N 3.04Å |
| 701 | T | 35.7 | Very low | 37.5 | Very low | 45 Ų | 45 | 63.2 Ų | 63.2 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 176.1 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | S697 V704 A705 V714 | S697-T701 VanDerWaalsContact O-CA 3.31Å; S697-T701 WeakPolarHBondContact O-CA 3Å; S697-T701 WeakPolarHBondContact O-CB 2.92Å; S697-T701 PolarHBondContact O-N 3.09Å; S697-T701 PolarHBondContact O-OG1 3.1Å; T701-V704 PolarHBondContact O-N 3.27Å; T701-A705 WeakPolarHBondContact O-CA 3.38Å; T701-A705 WeakPolarHBondContact O-CB 3.32Å; T701-A705 PolarHBondContact O-N 2.88Å; T701-V714 HydrophobicContact CG2-CB 3.81Å; T701-V714 HydrophobicContact CG2-CG1 4.5Å; T701-V714 HydrophobicContact CG2-CG2 3.38Å |
| 702 | G | 34 | Very low | 36.6 | Very low | 42 Ų | 42 | 65.5 Ų | 65.5 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | G698 G706 | G698-G702 WeakPolarHBondContact O-CA 3.47Å; G698-G702 PolarHBondContact O-N 3.35Å; G702-G706 PolarHBondContact O-N 3.07Å |
| 703 | L | 36 | Very low | 35.7 | Very low | 119 Ų | 119 | 71.7 Ų | 71.7 | 62% | 0.623 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -69.8 | -44.4 | 174.5 | -162.8 | 88.3 | 0 | 0 | 0 | 110.9 | A699 I700 G706 I707 | A699-L703 WeakPolarHBondContact O-CB 3.4Å; A699-L703 PolarHBondContact O-N 3.04Å; I700-L703 PolarHBondContact O-N 3.36Å; L703-G706 PolarHBondContact O-N 3.21Å; L703-I707 HydrophobicContact CD2-CD1 4.35Å; L703-I707 HydrophobicContact CG-CD1 4.14Å; L703-I707 WeakPolarHBondContact O-CB 3.39Å; L703-I707 WeakPolarHBondContact O-CG1 3.16Å; L703-I707 PolarHBondContact O-N 3.25Å |
| 704 | V | 37.4 | Very low | 34.8 | Very low | 63 Ų | 63 | 72 Ų | 72 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | I700 T701 I707 L708 | I700-V704 HydrophobicContact CG2-CG2 4.24Å; I700-V704 VanDerWaalsContact O-CB 3.29Å; I700-V704 WeakPolarHBondContact O-CB 3.49Å; I700-V704 WeakPolarHBondContact O-CG2 3.18Å; I700-V704 PolarHBondContact O-N 3.04Å; T701-V704 PolarHBondContact O-N 3.27Å; V704-I707 PolarHBondContact O-N 3.45Å; V704-L708 HydrophobicContact CG1-CD1 3.64Å; V704-L708 HydrophobicContact CG1-CG 4.32Å; V704-L708 WeakPolarHBondContact O-CB 3.35Å; V704-L708 VanDerWaalsContact O-CG 3.31Å; V704-L708 WeakPolarHBondContact O-CG 3.25Å; V704-L708 PolarHBondContact O-N 3.29Å |
| 705 | A | 37.7 | Very low | 34.2 | Very low | 21 Ų | 21 | 76.9 Ų | 76.9 | 17% | 0.174 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | T701 N709 L710 | T701-A705 WeakPolarHBondContact O-CA 3.38Å; T701-A705 WeakPolarHBondContact O-CB 3.32Å; T701-A705 PolarHBondContact O-N 2.88Å; A705-N709 CarbonylContact O-C 3.51Å; A705-N709 VanDerWaalsContact O-CA 3.22Å; A705-N709 WeakPolarHBondContact O-CA 3.29Å; A705-N709 PolarHBondContact O-N 3.35Å; A705-L710 HydrophobicContact CB-CB 4.31Å; A705-L710 WeakPolarHBondContact CB-O 3.48Å; A705-L710 PolarHBondContact O-N 3.42Å |
| 706 | G | 37.8 | Very low | 33.7 | Very low | 53 Ų | 53 | 77 Ų | 77 | 55% | 0.546 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G702 L703 | G702-G706 PolarHBondContact O-N 3.07Å; L703-G706 PolarHBondContact O-N 3.21Å |
| 707 | I | 41.4 | Very low | 33.4 | Very low | 126 Ų | 126 | 75.5 Ų | 75.5 | 65% | 0.646 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -74.1 | -35.7 | 175.6 | -70.6 | 167.3 | 0 | 0 | 0 | 111.2 | L703 V704 | L703-I707 HydrophobicContact CD2-CD1 4.35Å; L703-I707 HydrophobicContact CG-CD1 4.14Å; L703-I707 WeakPolarHBondContact O-CB 3.39Å; L703-I707 WeakPolarHBondContact O-CG1 3.16Å; L703-I707 PolarHBondContact O-N 3.25Å; V704-I707 PolarHBondContact O-N 3.45Å |
| 708 | L | 37.3 | Very low | 33.1 | Very low | 106 Ų | 106 | 77.5 Ų | 77.5 | 56% | 0.555 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -99.9 | 5.3 | -175.6 | -61.4 | 179.3 | 0 | 0 | 0 | 113.9 | V704 L710 | V704-L708 HydrophobicContact CG1-CD1 3.64Å; V704-L708 HydrophobicContact CG1-CG 4.32Å; V704-L708 WeakPolarHBondContact O-CB 3.35Å; V704-L708 VanDerWaalsContact O-CG 3.31Å; V704-L708 WeakPolarHBondContact O-CG 3.25Å; V704-L708 PolarHBondContact O-N 3.29Å; L708-L710 HydrophobicContact CB-CD1 3.79Å; L708-L710 HydrophobicContact CB-CG 3.94Å; L708-L710 HydrophobicContact CD1-CD1 4.03Å; L708-L710 PolarHBondContact O-N 3.22Å; L708-L710 VanDerWaalsContact O-N 3.12Å |
| 709 | N | 30.7 | Very low | 32.6 | Very low | 143 Ų | 143 | 80.2 Ų | 80.2 | 77% | 0.765 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 33.5 | -174.6 | -83.5 | -18.6 | 0 | 0 | 0 | 113.7 | A705 T711 | A705-N709 CarbonylContact O-C 3.51Å; A705-N709 VanDerWaalsContact O-CA 3.22Å; A705-N709 WeakPolarHBondContact O-CA 3.29Å; A705-N709 PolarHBondContact O-N 3.35Å; N709-T711 PolarHBondContact O-N 2.91Å |
| 710 | L | 28.4 | Very low | 32.2 | Very low | 109 Ų | 109 | 79 Ų | 79 | 57% | 0.571 | 47% | 0.474 | S | S | * | . | trans | -82.5 | 105.1 | 178.6 | -70.2 | 165.7 | 0 | 0 | 0 | 108.5 | A705 L708 G712 | A705-L710 HydrophobicContact CB-CB 4.31Å; A705-L710 WeakPolarHBondContact CB-O 3.48Å; A705-L710 PolarHBondContact O-N 3.42Å; L708-L710 HydrophobicContact CB-CD1 3.79Å; L708-L710 HydrophobicContact CB-CG 3.94Å; L708-L710 HydrophobicContact CD1-CD1 4.03Å; L708-L710 PolarHBondContact O-N 3.22Å; L708-L710 VanDerWaalsContact O-N 3.12Å; L710-G712 PolarHBondContact O-N 3.13Å | ||
| 711 | T | 28 | Very low | 31.7 | Very low | 137 Ų | 137 | 78.1 Ų | 78.1 | 84% | 0.84 | 47% | 0.469 | S | S | * | . | trans | -74.3 | 110.9 | 178.7 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | N709 | N709-T711 PolarHBondContact O-N 2.91Š| ||
| 712 | G | 29.5 | Very low | 31.4 | Very low | 55 Ų | 55 | 85.3 Ų | 85.3 | 57% | 0.567 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 85 | 129.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L710 | L710-G712 PolarHBondContact O-N 3.13Š|
| 713 | H | 26.3 | Very low | 30.9 | Very low | 134 Ų | 134 | 85.7 Ų | 85.7 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | trans | 136.6 | 128.8 | 161.6 | -66.8 | -45.6 | 0 | 0 | 0 | 108.3 | R725 | H713-R725 PolarHBondContact NE2-NH2 2.69Š| ||
| 714 | V | 25.9 | Very low | 30.5 | Very low | 56 Ų | 56 | 84.5 Ų | 84.5 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | trans | 99.8 | 91.7 | 179.2 | -167.3 | 0 | 0 | 0 | 0 | 115.5 | T701 | T701-V714 HydrophobicContact CG2-CB 3.81Å; T701-V714 HydrophobicContact CG2-CG1 4.5Å; T701-V714 HydrophobicContact CG2-CG2 3.38Å | ||
| 715 | L | 27 | Very low | 29.8 | Very low | 106 Ų | 106 | 89 Ų | 89 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | trans | -150.8 | 89.6 | 134.7 | -86.7 | 174.9 | 0 | 0 | 0 | 107.9 | ||||
| 716 | N | 30.8 | Very low | 29.3 | Very low | 30 Ų | 30 | 93 Ų | 93 | 16% | 0.16 | 52% | 0.516 | C | S | . | . | trans | -75.5 | 144.5 | 164.2 | -171.7 | -12.7 | 0 | 0 | 0 | 107.8 | V453 I721 | V453-N716 VanDerWaalsContact CG2-ND2 3.32Å; V453-N716 WeakPolarHBondContact CG2-ND2 3.39Å; N716-I721 HydrophobicContact CB-CD1 3.72Å; N716-I721 WeakPolarHBondContact ND2-CD1 3.48Å | ||
| 717 | I | 29.9 | Very low | 29.1 | Very low | 48 Ų | 48 | 94.4 Ų | 94.4 | 25% | 0.246 | 51% | 0.505 | C | S | . | . | -179.5 | 122.9 | 122.2 | 48.4 | -137.3 | 0 | 0 | 0 | 119.1 | G692 V693 V695 | G692-I717 WeakPolarHBondContact O-CG2 3.06Å; V693-I717 VanDerWaalsContact C-CD1 3.42Å; V693-I717 VanDerWaalsContact CA-CB 3.48Å; V693-I717 HydrophobicContact CB-CB 4.07Å; V693-I717 HydrophobicContact CB-CG2 4.02Å; V693-I717 HydrophobicContact CG1-CB 3.83Å; V693-I717 HydrophobicContact CG1-CG1 4.18Å; V693-I717 HydrophobicContact CG1-CG2 4.35Å; V693-I717 HydrophobicContact CG2-CB 4.4Å; V693-I717 HydrophobicContact CG2-CG2 4.12Å; V693-I717 WeakPolarHBondContact O-CD1 3.48Å; V695-I717 HydrophobicContact CG2-CD1 4.24Å | |||
| 718 | S | 29.9 | Very low | 29.1 | Very low | 60 Ų | 60 | 90.2 Ų | 90.2 | 42% | 0.42 | 48% | 0.484 | S | S | . | . | S | Bend | trans | 70.5 | 50 | 172 | 89.6 | 0 | 0 | 0 | 0 | 118.3 | ||
| 719 | N | 27.4 | Very low | 29.7 | Very low | 71 Ų | 71 | 90.2 Ų | 90.2 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 99.7 | 13.8 | 170.2 | -65.9 | 17.1 | 0 | 0 | 0 | 117.8 | K449 D478 I721 | K449-N719 WeakPolarHBondContact CD-OD1 3.32Å; K449-N719 PolarHBondContact NZ-ND2 3.44Å; K449-N719 PolarHBondContact NZ-OD1 3.25Å; D478-N719 PolarHBondContact OD1-ND2 3.02Å; N719-I721 VanDerWaalsContact C-N 3.26Å |
| 720 | G | 28.4 | Very low | 31.5 | Very low | 31 Ų | 31 | 83.5 Ų | 83.5 | 32% | 0.32 | 45% | 0.446 | S | S | . | . | trans | -78.8 | -9.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y722 | G720-Y722 PolarHBondContact O-N 3.43Š| ||
| 721 | I | 26.6 | Very low | 34.1 | Very low | 85 Ų | 85 | 78.9 Ų | 78.9 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | trans | -84.4 | 80.8 | 175.7 | -65.3 | -177.2 | 0 | 0 | 0 | 106.5 | N716 N719 G723 | N716-I721 HydrophobicContact CB-CD1 3.72Å; N716-I721 WeakPolarHBondContact ND2-CD1 3.48Å; N719-I721 VanDerWaalsContact C-N 3.26Å; I721-G723 VanDerWaalsContact CG2-C 3.49Å | ||
| 722 | Y | 28.9 | Very low | 36.9 | Very low | 197 Ų | 197 | 75.1 Ų | 75.1 | 77% | 0.773 | 40% | 0.401 | S | S | * | . | -57.4 | 50.5 | 93 | -51.7 | -78.2 | 0 | 0 | 0 | 114.6 | G720 D724 | G720-Y722 PolarHBondContact O-N 3.43Å; Y722-D724 CarbonylContact C-O 3.53Å | |||
| 723 | G | 23.7 | Very low | 39.7 | Very low | 50 Ų | 50 | 75.7 Ų | 75.7 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | trans | -108.2 | 9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | I721 R725 | I721-G723 VanDerWaalsContact CG2-C 3.49Å; G723-R725 VanDerWaalsContact C-N 3.28Å; G723-R725 PolarHBondContact O-N 3.14Å; G723-R725 VanDerWaalsContact O-N 3.12Å | ||
| 724 | D | 27.5 | Very low | 42.7 | Very low | 94 Ų | 94 | 72.9 Ų | 72.9 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | S | Bend | -45.4 | 120 | 121.5 | -107 | -26.6 | 0 | 0 | 0 | 104.8 | Y722 E726 | Y722-D724 CarbonylContact C-O 3.53Å; D724-E726 PolarHBondContact O-N 3.38Å | |
| 725 | R | 23.4 | Very low | 45.8 | Very low | 157 Ų | 157 | 75.4 Ų | 75.4 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | trans | -41.8 | 103.7 | 138.5 | -68.2 | 175.7 | 176.1 | -172.7 | -1 | 103.6 | H713 G723 R727 | H713-R725 PolarHBondContact NE2-NH2 2.69Å; G723-R725 VanDerWaalsContact C-N 3.28Å; G723-R725 PolarHBondContact O-N 3.14Å; G723-R725 VanDerWaalsContact O-N 3.12Å; R725-R727 VanDerWaalsContact CA-N 3.29Å; R725-R727 HydrophobicContact CB-CB 4.32Å; R725-R727 HydrophobicContact CB-CG 4.23Å; R725-R727 PolarHBondContact O-N 2.73Å | ||
| 726 | E | 27.3 | Very low | 48.9 | Very low | 105 Ų | 105 | 71.1 Ų | 71.1 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | -51.6 | 70.3 | 121.6 | -78.1 | -173.4 | -178 | 0 | 0 | 104.5 | D724 L728 | D724-E726 PolarHBondContact O-N 3.38Å; E726-L728 PolarHBondContact O-N 2.82Å | |||
| 727 | R | 33.4 | Very low | 51.9 | Low | 82 Ų | 82 | 70.7 Ų | 70.7 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | -42.3 | 88 | 113.4 | -91.5 | -169.3 | -179 | 169.4 | 9.3 | 98.5 | R725 M729 D778 | R725-R727 VanDerWaalsContact CA-N 3.29Å; R725-R727 HydrophobicContact CB-CB 4.32Å; R725-R727 HydrophobicContact CB-CG 4.23Å; R725-R727 PolarHBondContact O-N 2.73Å; R727-M729 VanDerWaalsContact C-N 3.28Å; R727-M729 WeakPolarHBondContact O-CA 3.32Å; R727-M729 WeakPolarHBondContact O-CG 3.15Å; R727-M729 PolarHBondContact O-N 2.92Å; R727-D778 IonicContact CZ-OD2 3.9Å; R727-D778 VanDerWaalsContact CZ-OD2 3.27Å; R727-D778 IonicContact NH1-OD2 3.57Å; R727-D778 PolarHBondContact NH1-OD2 2.93Å; R727-D778 IonicContact NH2-OD2 3.04Å; R727-D778 PolarHBondContact NH2-OD2 2.91Å | |||
| 728 | L | 41.1 | Very low | 54.8 | Low | 38 Ų | 38 | 75.4 Ų | 75.4 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | trans | -36 | 107.5 | -175.6 | -66.7 | 124.8 | 0 | 0 | 0 | 103.3 | E726 Y730 Q843 | E726-L728 PolarHBondContact O-N 2.82Å; L728-Y730 HydrophobicContact CB-CD2 3.53Å; L728-Y730 HydrophobicContact CB-CE2 3.22Å; L728-Y730 HydrophobicContact CB-CG 4.35Å; L728-Y730 HydrophobicContact CD1-CE2 3.96Å; L728-Y730 HydrophobicContact CD2-CE2 4.47Å; L728-Y730 HydrophobicContact CG-CE2 4.07Å; L728-Y730 WeakPolarHBondContact O-CD2 3.48Å; L728-Y730 PolarHBondContact O-N 2.69Å; L728-Q843 HydrophobicContact CD1-CG 4.31Å | ||
| 729 | M | 49 | Very low | 57.8 | Low | 107 Ų | 107 | 75.4 Ų | 75.4 | 53% | 0.527 | 38% | 0.376 | S | S | . | . | trans | -78.7 | 60.9 | -159.8 | -91.4 | -86.2 | -85.3 | 0 | 0 | 105.6 | R727 F731 F775 | R727-M729 VanDerWaalsContact C-N 3.28Å; R727-M729 WeakPolarHBondContact O-CA 3.32Å; R727-M729 WeakPolarHBondContact O-CG 3.15Å; R727-M729 PolarHBondContact O-N 2.92Å; M729-F731 PolarHBondContact O-N 2.64Å; M729-F775 HydrophobicContact SD-CE2 4.35Å | ||
| 730 | Y | 68.8 | Low | 61.2 | Low | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | trans | -60.1 | -0.9 | 169.3 | -65.3 | -66.1 | 0 | 0 | 0 | 110.8 | L728 T745 F747 C769 Q843 | L728-Y730 HydrophobicContact CB-CD2 3.53Å; L728-Y730 HydrophobicContact CB-CE2 3.22Å; L728-Y730 HydrophobicContact CB-CG 4.35Å; L728-Y730 HydrophobicContact CD1-CE2 3.96Å; L728-Y730 HydrophobicContact CD2-CE2 4.47Å; L728-Y730 HydrophobicContact CG-CE2 4.07Å; L728-Y730 WeakPolarHBondContact O-CD2 3.48Å; L728-Y730 PolarHBondContact O-N 2.69Å; Y730-T745 WeakPolarHBondContact O-CA 3.26Å; Y730-T745 WeakPolarHBondContact O-CB 3.2Å; Y730-F747 AromaticContact CD1-CE2 3.75Å; Y730-F747 HydrophobicContact CD1-CE2 3.75Å; Y730-F747 HydrophobicContact CD1-CZ 4.27Å; Y730-F747 AromaticContact CE1-CE2 3.95Å; Y730-F747 HydrophobicContact CE1-CE2 3.95Å; Y730-F747 HydrophobicContact CE1-CZ 4.01Å; Y730-C769 HydrophobicContact CD1-CB 4.23Å; Y730-C769 HydrophobicContact CD2-CB 4.38Å; Y730-C769 HydrophobicContact CE1-CB 4.08Å; Y730-C769 HydrophobicContact CE2-CB 4.16Å; Y730-C769 HydrophobicContact CG-CB 4.38Å; Y730-Q843 PolarHBondContact OH-OE1 2.87Å | ||
| 731 | F | 83.4 | Confident | 64.4 | Low | 12 Ų | 12 | 72.4 Ų | 72.4 | 5% | 0.053 | 35% | 0.35 | C | S | . | . | trans | -136.4 | 123 | -174.6 | -51.8 | -63.6 | 0 | 0 | 0 | 109.5 | M729 I743 R744 T745 C769 L772 F775 | M729-F731 PolarHBondContact O-N 2.64Å; F731-I743 HydrophobicContact CB-CG2 3.99Å; F731-I743 HydrophobicContact CD1-CG2 3.99Å; F731-I743 HydrophobicContact CG-CG2 4.36Å; F731-R744 VanDerWaalsContact CA-O 3.27Å; F731-R744 WeakPolarHBondContact CA-O 3.34Å; F731-T745 HydrophobicContact CD1-CG2 3.89Å; F731-T745 HydrophobicContact CE1-CG2 3.78Å; F731-C769 WeakPolarHBondContact CZ-O 3.33Å; F731-L772 HydrophobicContact CD1-CD1 3.71Å; F731-L772 HydrophobicContact CD2-CD1 4.47Å; F731-L772 HydrophobicContact CE1-CB 4.01Å; F731-L772 HydrophobicContact CE1-CD1 3.76Å; F731-L772 HydrophobicContact CE1-CG 4.32Å; F731-L772 HydrophobicContact CE2-CB 3.91Å; F731-L772 HydrophobicContact CG-CD1 4.09Å; F731-L772 HydrophobicContact CZ-CB 3.58Å; F731-L772 HydrophobicContact CZ-CD1 4.17Å; F731-L772 HydrophobicContact CZ-CG 4.39Å; F731-F775 HydrophobicContact CB-CB 4.48Å; F731-F775 HydrophobicContact CB-CD1 3.81Å; F731-F775 HydrophobicContact CB-CD2 3.7Å; F731-F775 HydrophobicContact CB-CE1 3.86Å; F731-F775 HydrophobicContact CB-CE2 3.74Å; F731-F775 HydrophobicContact CB-CG 3.73Å; F731-F775 HydrophobicContact CB-CZ 3.82Å; F731-F775 HydrophobicContact CD2-CB 4.26Å; F731-F775 HydrophobicContact CD2-CG 4.38Å; F731-F775 HydrophobicContact CG-CD1 4.46Å; F731-F775 HydrophobicContact CG-CG 4.31Å; F731-F775 VanDerWaalsContact O-CE2 3.26Å; F731-F775 WeakPolarHBondContact O-CE2 3.18Å | ||
| 732 | S | 86.8 | Confident | 67.7 | Low | 58 Ų | 58 | 68.7 Ų | 68.7 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 149 | 166.4 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | I743 R744 | S732-I743 CarbonylContact O-C 3.52Å; S732-I743 VanDerWaalsContact O-CA 3.31Å; S732-I743 WeakPolarHBondContact O-CA 3.1Å; S732-R744 PolarHBondContact N-O 3.37Å; S732-R744 PolarHBondContact O-N 3.18Å |
| 733 | T | 88.3 | Confident | 70.9 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.5 | -179 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | R742 I743 F775 L779 | T733-R742 CarbonylContact C-O 3.58Å; T733-R742 WeakPolarHBondContact CA-O 3.38Å; T733-I743 HydrophobicContact CG2-CG1 4.16Å; T733-F775 HydrophobicContact CG2-CE1 3.35Å; T733-F775 HydrophobicContact CG2-CZ 3.41Å; T733-F775 VanDerWaalsContact CG2-CZ 3.41Å; T733-L779 HydrophobicContact CG2-CD1 4.07Å; T733-L779 HydrophobicContact CG2-CD2 3.7Å; T733-L779 HydrophobicContact CG2-CG 4.45Å |
| 734 | E | 89.8 | Confident | 74 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.1 | 171.9 | -178.7 | -169.3 | 173.2 | 0 | 0 | 108.8 | V736 F741 R742 R744 | E734-V736 PolarHBondContact O-N 3.32Å; E734-F741 CarbonylContact O-C 3.55Å; E734-F741 WeakPolarHBondContact O-CA 3.27Å; E734-R742 HydrophobicContact CB-CB 4.33Å; E734-R742 VanDerWaalsContact CD-NH1 3.29Å; E734-R742 PolarHBondContact N-O 2.58Å; E734-R742 PolarHBondContact O-N 2.86Å; E734-R742 IonicContact OE1-NH1 3.04Å; E734-R742 PolarHBondContact OE1-NH1 3.03Å; E734-R742 IonicContact OE2-CZ 2.61Å; E734-R742 IonicContact OE2-NH1 2.9Å; E734-R742 PolarHBondContact OE2-NH1 3.23Å; E734-R744 IonicContact OE1-NH2 2.79Å; E734-R744 IonicContact OE2-CZ 3.43Å; E734-R744 VanDerWaalsContact OE2-CZ 3.3Å; E734-R744 IonicContact OE2-NE 2.89Å; E734-R744 PolarHBondContact OE2-NE 2.98Å; E734-R744 IonicContact OE2-NH2 3.59Å; E734-R744 PolarHBondContact OE2-NH2 2.86Å |
| 735 | K | 91.4 | Very high | 76.5 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.8 | 179.4 | -170 | 168 | -179 | 171.3 | 0 | 109.9 | T737 Q738 F741 | K735-T737 WeakPolarHBondContact CE-O 2.97Å; K735-T737 WeakPolarHBondContact CG-O 3.05Å; K735-Q738 VanDerWaalsContact CE-CA 3.47Å; K735-F741 HydrophobicContact CB-CD1 4.32Å; K735-F741 HydrophobicContact CB-CE1 4.44Å; K735-F741 HydrophobicContact CD-CE1 4.04Å; K735-F741 HydrophobicContact CG-CD1 4.22Å; K735-F741 HydrophobicContact CG-CE1 4.01Å |
| 736 | V | 92.2 | Very high | 79.1 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -88.3 | -40.1 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | E734 I740 R742 Y752 R930 I932 | E734-V736 PolarHBondContact O-N 3.32Å; V736-I740 HydrophobicContact CB-CB 4.19Å; V736-I740 HydrophobicContact CB-CG2 4Å; V736-I740 HydrophobicContact CG2-CG2 4.29Å; V736-I740 PolarHBondContact N-O 3.23Å; V736-R742 HydrophobicContact CG2-CB 3.75Å; V736-Y752 HydrophobicContact CG2-CE1 4.16Å; V736-R930 PolarHBondContact O-NH1 3.26Å; V736-I932 HydrophobicContact CG1-CG2 4.36Å |
| 737 | T | 93.5 | Very high | 81.4 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -144.2 | -173.2 | 172.8 | 78.1 | 0 | 0 | 0 | 0 | 109.9 | K735 R739 I740 E888 V890 | K735-T737 WeakPolarHBondContact CE-O 2.97Å; K735-T737 WeakPolarHBondContact CG-O 3.05Å; T737-R739 PolarHBondContact O-N 2.94Å; T737-R739 PolarHBondContact OG1-N 2.68Å; T737-I740 HydrophobicContact CG2-CB 4.44Å; T737-I740 HydrophobicContact CG2-CD1 4.23Å; T737-I740 PolarHBondContact N-O 3.17Å; T737-I740 PolarHBondContact OG1-N 2.84Å; T737-I740 VanDerWaalsContact OG1-N 3.07Å; T737-E888 WeakPolarHBondContact CB-OE2 3.25Å; T737-E888 HydrophobicContact CG2-CB 4.48Å; T737-E888 PolarHBondContact OG1-OE2 3.28Å; T737-V890 HydrophobicContact CG2-CG2 4.12Å |
| 738 | Q | 89.5 | Confident | 83.6 | Confident | 146 Ų | 146 | 52.1 Ų | 52.1 | 68% | 0.682 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -62.1 | -29.4 | 176 | -70.4 | -62.4 | -27.2 | 0 | 0 | 113.2 | K735 | K735-Q738 VanDerWaalsContact CE-CA 3.47Š|
| 739 | R | 94.8 | Very high | 85.8 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -111.4 | -18.4 | -176.2 | -61.8 | -175.4 | -177.1 | -103.9 | 8.1 | 114 | T737 I754 Q755 E757 E888 | T737-R739 PolarHBondContact O-N 2.94Å; T737-R739 PolarHBondContact OG1-N 2.68Å; R739-I754 CarbonylContact O-C 3.48Å; R739-I754 WeakPolarHBondContact O-CA 3.4Å; R739-Q755 WeakPolarHBondContact CB-O 3.15Å; R739-Q755 PolarHBondContact O-N 2.87Å; R739-E757 IonicContact CZ-OE1 3.59Å; R739-E757 IonicContact NH1-OE1 3.76Å; R739-E757 IonicContact NH2-OE1 3.68Å; R739-E757 PolarHBondContact NH2-OE1 3.25Å; R739-E888 HydrophobicContact CB-CG 4.46Å; R739-E888 VanDerWaalsContact CD-OE1 3.24Å; R739-E888 WeakPolarHBondContact CD-OE1 3.15Å; R739-E888 WeakPolarHBondContact CG-OE1 3.11Å; R739-E888 IonicContact NE-OE1 3.62Å |
| 740 | I | 97.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.7 | -176.8 | -55.1 | 174.9 | 0 | 0 | 0 | 110.7 | V736 T737 Y752 I754 I885 E888 V890 I932 | V736-I740 HydrophobicContact CB-CB 4.19Å; V736-I740 HydrophobicContact CB-CG2 4Å; V736-I740 HydrophobicContact CG2-CG2 4.29Å; V736-I740 PolarHBondContact N-O 3.23Å; T737-I740 HydrophobicContact CG2-CB 4.44Å; T737-I740 HydrophobicContact CG2-CD1 4.23Å; T737-I740 PolarHBondContact N-O 3.17Å; T737-I740 PolarHBondContact OG1-N 2.84Å; T737-I740 VanDerWaalsContact OG1-N 3.07Å; I740-Y752 HydrophobicContact CG2-CD1 4.06Å; I740-I754 HydrophobicContact CG1-CG1 4.17Å; I740-I885 HydrophobicContact CD1-CB 4.37Å; I740-I885 HydrophobicContact CD1-CD1 4.42Å; I740-I885 HydrophobicContact CD1-CG1 4.43Å; I740-I885 HydrophobicContact CD1-CG2 4.37Å; I740-E888 HydrophobicContact CD1-CB 3.89Å; I740-E888 HydrophobicContact CD1-CG 4.1Å; I740-E888 HydrophobicContact CG1-CG 4.31Å; I740-V890 HydrophobicContact CD1-CB 3.89Å; I740-V890 HydrophobicContact CD1-CG1 4.1Å; I740-V890 HydrophobicContact CD1-CG2 3.94Å; I740-I932 HydrophobicContact CG2-CD1 4.4Å |
| 741 | F | 96.7 | Very high | 89.1 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.4 | 177.5 | -56.4 | -91.3 | 0 | 0 | 0 | 109.6 | E734 K735 Y752 Y753 Q755 L779 | E734-F741 CarbonylContact O-C 3.55Å; E734-F741 WeakPolarHBondContact O-CA 3.27Å; K735-F741 HydrophobicContact CB-CD1 4.32Å; K735-F741 HydrophobicContact CB-CE1 4.44Å; K735-F741 HydrophobicContact CD-CE1 4.04Å; K735-F741 HydrophobicContact CG-CD1 4.22Å; K735-F741 HydrophobicContact CG-CE1 4.01Å; F741-Y752 CarbonylContact O-C 3.43Å; F741-Y752 WeakPolarHBondContact O-CA 3.35Å; F741-Y753 AromaticContact CD2-CD1 3.87Å; F741-Y753 HydrophobicContact CD2-CD1 3.87Å; F741-Y753 PolarHBondContact N-O 3.3Å; F741-Y753 PolarHBondContact O-N 3.41Å; F741-Q755 HydrophobicContact CE2-CB 3.94Å; F741-L779 HydrophobicContact CB-CD2 4.14Å; F741-L779 HydrophobicContact CD1-CD1 4.34Å; F741-L779 HydrophobicContact CG-CD1 4.49Å; F741-L779 HydrophobicContact CG-CD2 4.47Å |
| 742 | R | 96.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125.9 | 171.4 | -176 | -177 | -67.7 | 137.5 | -5.9 | 108.8 | T733 E734 V736 R744 C750 Y752 F938 | T733-R742 CarbonylContact C-O 3.58Å; T733-R742 WeakPolarHBondContact CA-O 3.38Å; E734-R742 HydrophobicContact CB-CB 4.33Å; E734-R742 VanDerWaalsContact CD-NH1 3.29Å; E734-R742 PolarHBondContact N-O 2.58Å; E734-R742 PolarHBondContact O-N 2.86Å; E734-R742 IonicContact OE1-NH1 3.04Å; E734-R742 PolarHBondContact OE1-NH1 3.03Å; E734-R742 IonicContact OE2-CZ 2.61Å; E734-R742 IonicContact OE2-NH1 2.9Å; E734-R742 PolarHBondContact OE2-NH1 3.23Å; V736-R742 HydrophobicContact CG2-CB 3.75Å; R742-R744 HydrophobicContact CG-CG 4.16Å; R742-C750 HydrophobicContact CG-CB 3.78Å; R742-Y752 HydrophobicContact CB-CD1 3.97Å; R742-Y752 HydrophobicContact CB-CE1 3.64Å; R742-Y752 HydrophobicContact CG-CD1 4.29Å; R742-Y752 HydrophobicContact CG-CE1 3.7Å; R742-Y752 PolarHBondContact NE-OH 2.8Å; R742-F938 VanDerWaalsContact NE-CB 3.32Å; R742-F938 PolarHBondContact NH2-O 3.49Å; R742-F938 VanDerWaalsContact NH2-O 3.15Å |
| 743 | I | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 99.3 | 174.8 | -55.4 | 175.6 | 0 | 0 | 0 | 107.4 | F731 S732 T733 C750 A751 L762 L772 F775 V776 L779 | F731-I743 HydrophobicContact CB-CG2 3.99Å; F731-I743 HydrophobicContact CD1-CG2 3.99Å; F731-I743 HydrophobicContact CG-CG2 4.36Å; S732-I743 CarbonylContact O-C 3.52Å; S732-I743 VanDerWaalsContact O-CA 3.31Å; S732-I743 WeakPolarHBondContact O-CA 3.1Å; T733-I743 HydrophobicContact CG2-CG1 4.16Å; I743-C750 CarbonylContact O-C 3.5Å; I743-C750 WeakPolarHBondContact O-CA 3.46Å; I743-C750 VanDerWaalsContact O-CB 3.23Å; I743-C750 WeakPolarHBondContact O-CB 3.33Å; I743-A751 HydrophobicContact CB-CB 4.39Å; I743-A751 PolarHBondContact N-O 2.77Å; I743-A751 PolarHBondContact O-N 2.98Å; I743-L762 HydrophobicContact CD1-CD1 3.93Å; I743-L772 HydrophobicContact CD1-CD1 4.4Å; I743-L772 HydrophobicContact CG2-CD1 4.02Å; I743-F775 HydrophobicContact CD1-CE1 4.41Å; I743-F775 HydrophobicContact CG1-CE1 4.32Å; I743-F775 HydrophobicContact CG2-CD1 4.16Å; I743-F775 HydrophobicContact CG2-CE1 3.77Å; I743-V776 HydrophobicContact CD1-CG2 3.65Å; I743-L779 HydrophobicContact CD1-CD2 4.15Å; I743-L779 HydrophobicContact CG1-CD2 4.33Å |
| 744 | R | 88.5 | Confident | 90.8 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 143.7 | 179.7 | -65.5 | -179.2 | 177.7 | -138.3 | -0.3 | 110.5 | F731 S732 E734 R742 C750 F938 | F731-R744 VanDerWaalsContact CA-O 3.27Å; F731-R744 WeakPolarHBondContact CA-O 3.34Å; S732-R744 PolarHBondContact N-O 3.37Å; S732-R744 PolarHBondContact O-N 3.18Å; E734-R744 IonicContact OE1-NH2 2.79Å; E734-R744 IonicContact OE2-CZ 3.43Å; E734-R744 VanDerWaalsContact OE2-CZ 3.3Å; E734-R744 IonicContact OE2-NE 2.89Å; E734-R744 PolarHBondContact OE2-NE 2.98Å; E734-R744 IonicContact OE2-NH2 3.59Å; E734-R744 PolarHBondContact OE2-NH2 2.86Å; R742-R744 HydrophobicContact CG-CG 4.16Å; R744-C750 HydrophobicContact CG-CB 4.36Å; R744-F938 VanDerWaalsContact CZ-CE2 3.46Å |
| 745 | T | 81.7 | Confident | 91.1 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | trans | -109 | 159.7 | 169.3 | 77.3 | 0 | 0 | 0 | 0 | 112.7 | Y730 F731 F747 E748 V749 | Y730-T745 WeakPolarHBondContact O-CA 3.26Å; Y730-T745 WeakPolarHBondContact O-CB 3.2Å; F731-T745 HydrophobicContact CD1-CG2 3.89Å; F731-T745 HydrophobicContact CE1-CG2 3.78Å; T745-F747 PolarHBondContact O-N 2.92Å; T745-F747 VanDerWaalsContact O-N 3.07Å; T745-F747 PolarHBondContact OG1-N 3.49Å; T745-E748 PolarHBondContact O-N 3.5Å; T745-V749 WeakPolarHBondContact CB-O 3.17Å; T745-V749 WeakPolarHBondContact CG2-O 3.35Å; T745-V749 PolarHBondContact N-O 3.31Å; T745-V749 VanDerWaalsContact OG1-CG1 3.23Å; T745-V749 WeakPolarHBondContact OG1-CG1 3.31Å; T745-V749 PolarHBondContact OG1-O 2.92Å | ||
| 746 | D | 76.4 | Confident | 91.3 | Very high | 77 Ų | 77 | 31.5 Ų | 31.5 | 41% | 0.412 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -6.8 | 175.3 | -65.4 | -18.7 | 0 | 0 | 0 | 113.3 | P836 | D746-P836 HydrophobicContact CB-CG 4.33Š|
| 747 | F | 76.9 | Confident | 91.5 | Very high | 34 Ų | 34 | 37 Ų | 37 | 15% | 0.149 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 25.9 | -179 | -56.1 | -78.6 | 0 | 0 | 0 | 112.7 | Y730 T745 V749 L767 C769 I828 L835 W839 | Y730-F747 AromaticContact CD1-CE2 3.75Å; Y730-F747 HydrophobicContact CD1-CE2 3.75Å; Y730-F747 HydrophobicContact CD1-CZ 4.27Å; Y730-F747 AromaticContact CE1-CE2 3.95Å; Y730-F747 HydrophobicContact CE1-CE2 3.95Å; Y730-F747 HydrophobicContact CE1-CZ 4.01Å; T745-F747 PolarHBondContact O-N 2.92Å; T745-F747 VanDerWaalsContact O-N 3.07Å; T745-F747 PolarHBondContact OG1-N 3.49Å; F747-V749 HydrophobicContact CB-CG1 4.37Å; F747-V749 PolarHBondContact O-N 3.4Å; F747-L767 HydrophobicContact CB-CD2 4.19Å; F747-L767 HydrophobicContact CD1-CD2 4Å; F747-L767 HydrophobicContact CD2-CD2 4.16Å; F747-L767 HydrophobicContact CE1-CD2 4.44Å; F747-L767 HydrophobicContact CG-CD2 3.83Å; F747-C769 HydrophobicContact CE2-CB 3.69Å; F747-C769 HydrophobicContact CZ-CB 4.14Å; F747-I828 HydrophobicContact CE1-CG2 4.06Å; F747-L835 HydrophobicContact CE1-CD2 4.32Å; F747-W839 AromaticContact CZ-CD1 3.82Å |
| 748 | E | 78.6 | Confident | 91.5 | Very high | 123 Ų | 123 | 43 Ų | 43 | 58% | 0.575 | 20% | 0.196 | S | C | * | . | S | Bend | trans | 55 | 20 | 179.7 | -59.2 | -168.5 | 158.4 | 0 | 0 | 115.4 | T745 | T745-E748 PolarHBondContact O-N 3.5Š|
| 749 | V | 87.4 | Confident | 91.9 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -117.7 | 146 | 172.3 | 65.8 | 0 | 0 | 0 | 0 | 109.4 | T745 F747 N934 H935 | T745-V749 WeakPolarHBondContact CB-O 3.17Å; T745-V749 WeakPolarHBondContact CG2-O 3.35Å; T745-V749 PolarHBondContact N-O 3.31Å; T745-V749 VanDerWaalsContact OG1-CG1 3.23Å; T745-V749 WeakPolarHBondContact OG1-CG1 3.31Å; T745-V749 PolarHBondContact OG1-O 2.92Å; F747-V749 HydrophobicContact CB-CG1 4.37Å; F747-V749 PolarHBondContact O-N 3.4Å; V749-N934 CarbonylContact C-O 3.56Å; V749-N934 WeakPolarHBondContact CA-O 3.49Å; V749-N934 HydrophobicContact CG2-CB 4.21Å; V749-H935 WeakPolarHBondContact CG2-CE1 3.26Å |
| 750 | C | 92 | Very high | 92 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 157.9 | 174.7 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | R742 I743 R744 N934 F938 | R742-C750 HydrophobicContact CG-CB 3.78Å; I743-C750 CarbonylContact O-C 3.5Å; I743-C750 WeakPolarHBondContact O-CA 3.46Å; I743-C750 VanDerWaalsContact O-CB 3.23Å; I743-C750 WeakPolarHBondContact O-CB 3.33Å; R744-C750 HydrophobicContact CG-CB 4.36Å; C750-N934 PolarHBondContact N-O 3.01Å; C750-N934 PolarHBondContact O-ND2 3.05Å; C750-F938 HydrophobicContact CB-CD1 4.24Å; C750-F938 HydrophobicContact CB-CE1 4.19Å; C750-F938 VanDerWaalsContact SG-CD1 3.53Å |
| 751 | A | 95.4 | Very high | 92 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 170.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109.4 | I743 L762 L763 D764 | I743-A751 HydrophobicContact CB-CB 4.39Å; I743-A751 PolarHBondContact N-O 2.77Å; I743-A751 PolarHBondContact O-N 2.98Å; A751-L762 HydrophobicContact CB-CD1 4.42Å; A751-L763 WeakPolarHBondContact CA-O 3.15Å; A751-L763 WeakPolarHBondContact CB-O 3.35Å; A751-D764 HydrophobicContact CB-CB 4.4Å |
| 752 | Y | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132 | 177.4 | -68.5 | -84.2 | 0 | 0 | 0 | 111.7 | V736 I740 F741 R742 L762 L763 V892 I932 R933 F938 | V736-Y752 HydrophobicContact CG2-CE1 4.16Å; I740-Y752 HydrophobicContact CG2-CD1 4.06Å; F741-Y752 CarbonylContact O-C 3.43Å; F741-Y752 WeakPolarHBondContact O-CA 3.35Å; R742-Y752 HydrophobicContact CB-CD1 3.97Å; R742-Y752 HydrophobicContact CB-CE1 3.64Å; R742-Y752 HydrophobicContact CG-CD1 4.29Å; R742-Y752 HydrophobicContact CG-CE1 3.7Å; R742-Y752 PolarHBondContact NE-OH 2.8Å; Y752-L762 CarbonylContact O-C 3.56Å; Y752-L762 WeakPolarHBondContact O-CA 3.26Å; Y752-L763 PolarHBondContact N-O 2.79Å; Y752-L763 PolarHBondContact O-N 2.8Å; Y752-V892 HydrophobicContact CD2-CG1 4.24Å; Y752-V892 HydrophobicContact CE2-CG1 4.3Å; Y752-I932 HydrophobicContact CD1-CD1 3.86Å; Y752-I932 HydrophobicContact CE1-CD1 3.48Å; Y752-I932 VanDerWaalsContact CE1-CD1 3.48Å; Y752-I932 HydrophobicContact CE1-CG1 4.43Å; Y752-I932 HydrophobicContact CE2-CD1 4.23Å; Y752-I932 HydrophobicContact CG-CD1 4.35Å; Y752-R933 PolarHBondContact OH-O 3.08Å; Y752-F938 PolarHBondContact OH-O 3.45Å |
| 753 | Y | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.5 | 169.8 | 178.3 | -104.9 | 0 | 0 | 0 | 110 | F741 Q755 A761 V776 L779 A780 Y784 | F741-Y753 AromaticContact CD2-CD1 3.87Å; F741-Y753 HydrophobicContact CD2-CD1 3.87Å; F741-Y753 PolarHBondContact N-O 3.3Å; F741-Y753 PolarHBondContact O-N 3.41Å; Y753-Q755 HydrophobicContact CE1-CB 3.93Å; Y753-Q755 VanDerWaalsContact CE1-OE1 3.23Å; Y753-Q755 PolarHBondContact OH-OE1 2.82Å; Y753-A761 CarbonylContact C-O 3.6Å; Y753-A761 WeakPolarHBondContact CA-O 2.95Å; Y753-V776 HydrophobicContact CD2-CG1 3.8Å; Y753-V776 HydrophobicContact CE2-CG1 4.11Å; Y753-V776 HydrophobicContact CG-CG1 4.46Å; Y753-L779 HydrophobicContact CD1-CD2 3.81Å; Y753-L779 HydrophobicContact CD1-CG 4.05Å; Y753-L779 HydrophobicContact CG-CD2 4.09Å; Y753-A780 HydrophobicContact CE1-CB 4.13Å; Y753-A780 HydrophobicContact CE2-CB 3.86Å; Y753-A780 VanDerWaalsContact CZ-CB 3.45Å; Y753-A780 WeakPolarHBondContact OH-CA 3.39Å; Y753-A780 WeakPolarHBondContact OH-CB 3.34Å; Y753-Y784 HydrophobicContact CE2-CD1 4.32Å; Y753-Y784 HydrophobicContact CE2-CG 4.01Å |
| 754 | I | 98 | Very high | 92.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.4 | 178.4 | -59.1 | 123.6 | 0 | 0 | 0 | 108.9 | R739 I740 G760 A761 L763 L863 V866 I868 | R739-I754 CarbonylContact O-C 3.48Å; R739-I754 WeakPolarHBondContact O-CA 3.4Å; I740-I754 HydrophobicContact CG1-CG1 4.17Å; I754-G760 CarbonylContact O-C 3.57Å; I754-G760 WeakPolarHBondContact O-CA 3.25Å; I754-A761 PolarHBondContact N-O 2.8Å; I754-A761 PolarHBondContact O-N 3.19Å; I754-L763 HydrophobicContact CD1-CD1 3.44Å; I754-L763 VanDerWaalsContact CD1-CD1 3.44Å; I754-L763 HydrophobicContact CD1-CD2 4.2Å; I754-L763 HydrophobicContact CD1-CG 3.55Å; I754-L863 HydrophobicContact CB-CD1 4.25Å; I754-L863 HydrophobicContact CG2-CD1 3.9Å; I754-V866 HydrophobicContact CG2-CG1 4.12Å; I754-V866 HydrophobicContact CG2-CG2 4.27Å; I754-I868 HydrophobicContact CB-CD1 4.42Å; I754-I868 HydrophobicContact CD1-CD1 3.69Å |
| 755 | Q | 97.1 | Very high | 92.7 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 11% | 0.112 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 111.6 | -177.8 | -175.1 | 62.6 | 67.9 | 0 | 0 | 111 | R739 F741 Y753 T781 T782 | R739-Q755 WeakPolarHBondContact CB-O 3.15Å; R739-Q755 PolarHBondContact O-N 2.87Å; F741-Q755 HydrophobicContact CE2-CB 3.94Å; Y753-Q755 HydrophobicContact CE1-CB 3.93Å; Y753-Q755 VanDerWaalsContact CE1-OE1 3.23Å; Y753-Q755 PolarHBondContact OH-OE1 2.82Å; Q755-T781 PolarHBondContact NE2-OG1 3.44Å; Q755-T781 PolarHBondContact OE1-OG1 2.78Å; Q755-T782 PolarHBondContact NE2-OG1 3.45Å |
| 756 | G | 95.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | trans | -97.1 | 176.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S759 L863 | G756-S759 CarbonylContact C-O 3.59Å; G756-S759 WeakPolarHBondContact CA-O 3.5Å; G756-S759 PolarHBondContact N-O 3.07Å; G756-L863 CarbonylContact C-O 3.11Å; G756-L863 VanDerWaalsContact CA-O 3.26Å; G756-L863 WeakPolarHBondContact CA-O 3.34Å | ||
| 757 | E | 95.4 | Very high | 93.8 | Very high | 131 Ų | 131 | 25 Ų | 25 | 61% | 0.612 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -78.7 | -29.8 | 179.6 | -69.5 | 164 | -158.6 | 0 | 0 | 112.9 | R739 L863 G864 | R739-E757 IonicContact CZ-OE1 3.59Å; R739-E757 IonicContact NH1-OE1 3.76Å; R739-E757 IonicContact NH2-OE1 3.68Å; R739-E757 PolarHBondContact NH2-OE1 3.25Å; E757-L863 PolarHBondContact N-O 2.86Å; E757-G864 WeakPolarHBondContact CB-O 3.29Å; E757-G864 WeakPolarHBondContact CG-O 3.45Å; E757-G864 PolarHBondContact N-O 3.45Å |
| 758 | K | 94.4 | Very high | 94.4 | Very high | 149 Ų | 149 | 23.6 Ų | 23.6 | 65% | 0.648 | 12% | 0.115 | S | C | * | . | S | Bend | trans | -102.7 | -38.3 | -178.1 | -61.4 | 172.5 | -170.6 | 162.5 | 0 | 111.7 | D862 L863 | K758-D862 IonicContact NZ-OD2 2.74Å; K758-L863 PolarHBondContact N-O 2.7Å |
| 759 | S | 96.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 17.9 Ų | 17.9 | 21% | 0.21 | 9% | 0.089 | C | C | . | . | trans | -151.6 | 172.2 | -178.1 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | G756 T782 E783 L863 | G756-S759 CarbonylContact C-O 3.59Å; G756-S759 WeakPolarHBondContact CA-O 3.5Å; G756-S759 PolarHBondContact N-O 3.07Å; S759-T782 WeakPolarHBondContact CA-OG1 3.23Å; S759-T782 PolarHBondContact O-OG1 2.93Å; S759-E783 CarbonylContact C-O 3.6Å; S759-E783 WeakPolarHBondContact CA-O 3.36Å; S759-E783 VanDerWaalsContact CB-O 3.25Å; S759-E783 WeakPolarHBondContact CB-O 3.16Å; S759-L863 PolarHBondContact N-O 2.9Å; S759-L863 VanDerWaalsContact N-O 3.16Å; S759-L863 WeakPolarHBondContact O-CB 3.1Å; S759-L863 WeakPolarHBondContact OG-CD2 3.08Å | ||
| 760 | G | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I754 T782 E783 Y784 T785 | I754-G760 CarbonylContact O-C 3.57Å; I754-G760 WeakPolarHBondContact O-CA 3.25Å; G760-T782 PolarHBondContact N-OG1 3.29Å; G760-E783 PolarHBondContact N-O 2.88Å; G760-Y784 VanDerWaalsContact C-CB 3.46Å; G760-Y784 CarbonylContact O-C 3.58Å; G760-Y784 WeakPolarHBondContact O-CA 3.23Å; G760-Y784 WeakPolarHBondContact O-CB 3.34Å; G760-T785 PolarHBondContact O-N 3.44Å |
| 761 | A | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y753 I754 T785 I787 L863 I868 | Y753-A761 CarbonylContact C-O 3.6Å; Y753-A761 WeakPolarHBondContact CA-O 2.95Å; I754-A761 PolarHBondContact N-O 2.8Å; I754-A761 PolarHBondContact O-N 3.19Å; A761-T785 CarbonylContact C-O 3.53Å; A761-T785 VanDerWaalsContact CA-O 3.28Å; A761-T785 WeakPolarHBondContact CA-O 3.31Å; A761-I787 HydrophobicContact CB-CD1 4.21Å; A761-L863 HydrophobicContact CB-CD1 3.79Å; A761-L863 HydrophobicContact CB-CD2 4.32Å; A761-I868 HydrophobicContact CB-CD1 3.45Å; A761-I868 VanDerWaalsContact CB-CD1 3.45Å |
| 762 | L | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112.5 | 170 | 178.2 | 65.4 | 0 | 0 | 0 | 108.5 | I743 A751 Y752 D764 T765 L772 V776 Y784 T785 V786 I787 F802 | I743-L762 HydrophobicContact CD1-CD1 3.93Å; A751-L762 HydrophobicContact CB-CD1 4.42Å; Y752-L762 CarbonylContact O-C 3.56Å; Y752-L762 WeakPolarHBondContact O-CA 3.26Å; L762-D764 WeakPolarHBondContact CG-O 3.24Å; L762-T765 HydrophobicContact CD2-CG2 4.42Å; L762-L772 HydrophobicContact CD2-CD2 4.21Å; L762-V776 HydrophobicContact CD1-CG2 3.95Å; L762-V776 HydrophobicContact CD2-CG2 4.02Å; L762-Y784 HydrophobicContact CB-CD2 3.98Å; L762-Y784 HydrophobicContact CB-CE2 4.25Å; L762-Y784 HydrophobicContact CD2-CE2 4.29Å; L762-T785 PolarHBondContact N-O 3.01Å; L762-V786 HydrophobicContact CB-CG2 4.34Å; L762-V786 HydrophobicContact CD2-CG1 4.4Å; L762-V786 HydrophobicContact CD2-CG2 4.24Å; L762-V786 WeakPolarHBondContact O-CA 3.46Å; L762-I787 PolarHBondContact O-N 2.75Å; L762-F802 HydrophobicContact CD2-CE1 4.01Å; L762-F802 HydrophobicContact CD2-CE2 4.21Å; L762-F802 HydrophobicContact CD2-CZ 3.6Å |
| 763 | L | 97.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.5 | 172.2 | -51.9 | -175.5 | 0 | 0 | 0 | 109.5 | A751 Y752 I754 I787 I868 F883 V892 | A751-L763 WeakPolarHBondContact CA-O 3.15Å; A751-L763 WeakPolarHBondContact CB-O 3.35Å; Y752-L763 PolarHBondContact N-O 2.79Å; Y752-L763 PolarHBondContact O-N 2.8Å; I754-L763 HydrophobicContact CD1-CD1 3.44Å; I754-L763 VanDerWaalsContact CD1-CD1 3.44Å; I754-L763 HydrophobicContact CD1-CD2 4.2Å; I754-L763 HydrophobicContact CD1-CG 3.55Å; L763-I787 VanDerWaalsContact CA-O 3.31Å; L763-I787 WeakPolarHBondContact CA-O 3.42Å; L763-I787 HydrophobicContact CD2-CB 3.94Å; L763-I787 HydrophobicContact CD2-CD1 4.13Å; L763-I868 HydrophobicContact CD2-CD1 4.44Å; L763-F883 HydrophobicContact CD1-CB 4.23Å; L763-F883 HydrophobicContact CD1-CD2 3.74Å; L763-F883 HydrophobicContact CD1-CE2 4.2Å; L763-F883 HydrophobicContact CD1-CG 3.94Å; L763-F883 HydrophobicContact CD2-CD1 4.22Å; L763-F883 HydrophobicContact CD2-CD2 4.43Å; L763-F883 HydrophobicContact CD2-CE1 4.12Å; L763-F883 HydrophobicContact CD2-CE2 4.32Å; L763-F883 HydrophobicContact CD2-CG 4.36Å; L763-F883 HydrophobicContact CD2-CZ 4.17Å; L763-V892 HydrophobicContact CD1-CG2 4.12Å |
| 764 | D | 97.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | trans | 61.4 | 166.3 | -174.5 | -61.4 | -25.4 | 0 | 0 | 0 | 114.8 | A751 L762 I787 S789 H795 N934 | A751-D764 HydrophobicContact CB-CB 4.4Å; L762-D764 WeakPolarHBondContact CG-O 3.24Å; D764-I787 PolarHBondContact N-O 2.98Å; D764-S789 VanDerWaalsContact CG-OG 3.3Å; D764-S789 WeakPolarHBondContact OD1-CB 3.33Å; D764-S789 PolarHBondContact OD1-N 3.47Å; D764-S789 PolarHBondContact OD1-OG 3.03Å; D764-S789 PolarHBondContact OD2-OG 2.84Å; D764-H795 HydrophobicContact CB-CB 4.2Å; D764-H795 IonicContact OD2-CE1 3.37Å; D764-H795 IonicContact OD2-CG 3.2Å; D764-H795 IonicContact OD2-ND1 2.9Å; D764-H795 PolarHBondContact OD2-ND1 3.04Å; D764-N934 PolarHBondContact OD2-ND2 3.38Å | ||
| 765 | T | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | trans | -136 | 7.6 | -171.8 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | L762 L772 V786 L788 H795 A796 G798 S799 F802 | L762-T765 HydrophobicContact CD2-CG2 4.42Å; T765-L772 HydrophobicContact CG2-CD2 4.45Å; T765-L772 WeakPolarHBondContact O-CD2 3.43Å; T765-V786 HydrophobicContact CG2-CG1 3.57Å; T765-L788 HydrophobicContact CG2-CD2 3.96Å; T765-H795 WeakPolarHBondContact CA-O 3.43Å; T765-H795 PolarHBondContact N-O 3.4Å; T765-H795 PolarHBondContact OG1-O 2.68Å; T765-A796 WeakPolarHBondContact OG1-CA 3.4Å; T765-A796 PolarHBondContact OG1-O 3.18Å; T765-G798 WeakPolarHBondContact O-CA 3.46Å; T765-G798 PolarHBondContact O-N 3.15Å; T765-G798 PolarHBondContact OG1-N 2.98Å; T765-S799 PolarHBondContact OG1-N 3.14Å; T765-F802 HydrophobicContact CG2-CD2 4.09Å; T765-F802 HydrophobicContact CG2-CE2 3.76Å | ||
| 766 | G | 92.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -166.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G768 C793 D794 H795 G797 G798 | G766-G768 PolarHBondContact O-N 3.15Å; G766-C793 VanDerWaalsContact O-O 3.11Å; G766-D794 CarbonylContact C-O 3.58Å; G766-D794 WeakPolarHBondContact CA-O 3.34Å; G766-H795 PolarHBondContact N-O 2.93Å; G766-G797 WeakPolarHBondContact O-CA 3.47Å; G766-G797 PolarHBondContact O-N 2.92Å; G766-G798 PolarHBondContact O-N 2.73Å |
| 767 | L | 89.9 | Confident | 92.3 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.8 | -178.2 | -157.4 | 59.8 | 0 | 0 | 0 | 114.6 | F747 C793 D794 R824 I828 | F747-L767 HydrophobicContact CB-CD2 4.19Å; F747-L767 HydrophobicContact CD1-CD2 4Å; F747-L767 HydrophobicContact CD2-CD2 4.16Å; F747-L767 HydrophobicContact CE1-CD2 4.44Å; F747-L767 HydrophobicContact CG-CD2 3.83Å; L767-C793 WeakPolarHBondContact CA-O 3.23Å; L767-C793 HydrophobicContact CD1-CB 4.45Å; L767-D794 HydrophobicContact CD1-CB 4.04Å; L767-R824 WeakPolarHBondContact O-CD 3.16Å; L767-R824 PolarHBondContact O-NH1 3.36Å; L767-R824 VanDerWaalsContact O-NH1 3.09Å; L767-I828 HydrophobicContact CD2-CD1 3.77Å; L767-I828 HydrophobicContact CD2-CG1 3.24Å; L767-I828 HydrophobicContact CG-CD1 4.07Å; L767-I828 HydrophobicContact CG-CG1 3.95Å |
| 768 | G | 89.2 | Confident | 92 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 70.4 | 39.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G766 G797 R824 L845 | G766-G768 PolarHBondContact O-N 3.15Å; G768-G797 VanDerWaalsContact CA-C 3.47Å; G768-G797 WeakPolarHBondContact CA-O 3.27Å; G768-R824 PolarHBondContact O-NH1 2.8Å; G768-L845 WeakPolarHBondContact O-CB 3.44Å; G768-L845 WeakPolarHBondContact O-CG 3.45Å; G768-L845 PolarHBondContact O-N 2.98Å |
| 769 | C | 84.9 | Confident | 91.8 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -105 | 128.9 | 164.9 | -65 | 0 | 0 | 0 | 0 | 108.6 | Y730 F731 F747 I828 | Y730-C769 HydrophobicContact CD1-CB 4.23Å; Y730-C769 HydrophobicContact CD2-CB 4.38Å; Y730-C769 HydrophobicContact CE1-CB 4.08Å; Y730-C769 HydrophobicContact CE2-CB 4.16Å; Y730-C769 HydrophobicContact CG-CB 4.38Å; F731-C769 WeakPolarHBondContact CZ-O 3.33Å; F747-C769 HydrophobicContact CE2-CB 3.69Å; F747-C769 HydrophobicContact CZ-CB 4.14Å; C769-I828 VanDerWaalsContact SG-CD1 3.58Å |
| 770 | G | 82 | Confident | 91.5 | Very high | 15 Ų | 15 | 22.5 Ų | 22.5 | 16% | 0.155 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 88.1 | -175.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 771 | D | 86.3 | Confident | 91.2 | Very high | 63 Ų | 63 | 28.2 Ų | 28.2 | 34% | 0.337 | 16% | 0.16 | S | C | . | . | trans | -105.3 | 76.8 | -178.1 | -170.8 | 0.5 | 0 | 0 | 0 | 111.7 | K773 S774 F775 Q801 | D771-K773 VanDerWaalsContact C-N 3.27Å; D771-K773 PolarHBondContact O-N 3.29Å; D771-S774 PolarHBondContact OD1-N 3.18Å; D771-S774 VanDerWaalsContact OD1-N 3.08Å; D771-S774 PolarHBondContact OD1-OG 2.82Å; D771-S774 WeakPolarHBondContact OD2-CB 3.47Å; D771-S774 PolarHBondContact OD2-OG 3.24Å; D771-F775 PolarHBondContact O-N 3.41Å; D771-Q801 PolarHBondContact OD1-NE2 3.09Å | ||
| 772 | L | 91.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 178.9 | 179.5 | 61.2 | 0 | 0 | 0 | 111 | F731 I743 L762 T765 F775 V776 F802 | F731-L772 HydrophobicContact CD1-CD1 3.71Å; F731-L772 HydrophobicContact CD2-CD1 4.47Å; F731-L772 HydrophobicContact CE1-CB 4.01Å; F731-L772 HydrophobicContact CE1-CD1 3.76Å; F731-L772 HydrophobicContact CE1-CG 4.32Å; F731-L772 HydrophobicContact CE2-CB 3.91Å; F731-L772 HydrophobicContact CG-CD1 4.09Å; F731-L772 HydrophobicContact CZ-CB 3.58Å; F731-L772 HydrophobicContact CZ-CD1 4.17Å; F731-L772 HydrophobicContact CZ-CG 4.39Å; I743-L772 HydrophobicContact CD1-CD1 4.4Å; I743-L772 HydrophobicContact CG2-CD1 4.02Å; L762-L772 HydrophobicContact CD2-CD2 4.21Å; T765-L772 HydrophobicContact CG2-CD2 4.45Å; T765-L772 WeakPolarHBondContact O-CD2 3.43Å; L772-F775 WeakPolarHBondContact O-CB 3.42Å; L772-F775 PolarHBondContact O-N 2.82Å; L772-V776 HydrophobicContact CD1-CG2 3.75Å; L772-V776 HydrophobicContact CG-CG2 4.05Å; L772-V776 WeakPolarHBondContact O-CG2 3.2Å; L772-V776 PolarHBondContact O-N 3.07Å; L772-F802 HydrophobicContact CD2-CE2 4.49Å; L772-F802 HydrophobicContact CD2-CZ 4.42Å; L772-F802 HydrophobicContact CG-CZ 4.3Å |
| 773 | K | 92.2 | Very high | 90.7 | Very high | 70 Ų | 70 | 38.3 Ų | 38.3 | 30% | 0.304 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.8 | -55.7 | 179.3 | 172.1 | 161.1 | 172.9 | 35.7 | 0 | 111.4 | D771 F775 V776 D777 Q801 F802 | D771-K773 VanDerWaalsContact C-N 3.27Å; D771-K773 PolarHBondContact O-N 3.29Å; K773-F775 PolarHBondContact O-N 2.96Å; K773-V776 PolarHBondContact O-N 3.24Å; K773-D777 WeakPolarHBondContact CG-OD2 3.47Å; K773-D777 IonicContact NZ-OD1 2.8Å; K773-D777 PolarHBondContact NZ-OD1 2.58Å; K773-D777 IonicContact NZ-OD2 2.75Å; K773-D777 PolarHBondContact NZ-OD2 2.81Å; K773-D777 VanDerWaalsContact O-CG 3.25Å; K773-D777 PolarHBondContact O-N 2.87Å; K773-Q801 HydrophobicContact CB-CB 3.81Å; K773-Q801 WeakPolarHBondContact CD-O 3.36Å; K773-F802 HydrophobicContact CB-CD1 4.38Å; K773-F802 HydrophobicContact CB-CE1 3.74Å; K773-F802 HydrophobicContact CB-CZ 3.91Å; K773-F802 HydrophobicContact CD-CD1 4.28Å; K773-F802 HydrophobicContact CD-CE1 4.39Å; K773-F802 HydrophobicContact CG-CD1 4.43Å; K773-F802 HydrophobicContact CG-CE1 4.04Å |
| 774 | S | 87 | Confident | 90.7 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -32.2 | -179.5 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | D771 D778 | D771-S774 PolarHBondContact OD1-N 3.18Å; D771-S774 VanDerWaalsContact OD1-N 3.08Å; D771-S774 PolarHBondContact OD1-OG 2.82Å; D771-S774 WeakPolarHBondContact OD2-CB 3.47Å; D771-S774 PolarHBondContact OD2-OG 3.24Å; S774-D778 VanDerWaalsContact O-CG 3.26Å; S774-D778 PolarHBondContact O-N 3.28Å |
| 775 | F | 89.1 | Confident | 90.7 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 175.6 | -177.6 | -87.6 | 0 | 0 | 0 | 112.3 | M729 F731 T733 I743 D771 L772 K773 D778 L779 | M729-F775 HydrophobicContact SD-CE2 4.35Å; F731-F775 HydrophobicContact CB-CB 4.48Å; F731-F775 HydrophobicContact CB-CD1 3.81Å; F731-F775 HydrophobicContact CB-CD2 3.7Å; F731-F775 HydrophobicContact CB-CE1 3.86Å; F731-F775 HydrophobicContact CB-CE2 3.74Å; F731-F775 HydrophobicContact CB-CG 3.73Å; F731-F775 HydrophobicContact CB-CZ 3.82Å; F731-F775 HydrophobicContact CD2-CB 4.26Å; F731-F775 HydrophobicContact CD2-CG 4.38Å; F731-F775 HydrophobicContact CG-CD1 4.46Å; F731-F775 HydrophobicContact CG-CG 4.31Å; F731-F775 VanDerWaalsContact O-CE2 3.26Å; F731-F775 WeakPolarHBondContact O-CE2 3.18Å; T733-F775 HydrophobicContact CG2-CE1 3.35Å; T733-F775 HydrophobicContact CG2-CZ 3.41Å; T733-F775 VanDerWaalsContact CG2-CZ 3.41Å; I743-F775 HydrophobicContact CD1-CE1 4.41Å; I743-F775 HydrophobicContact CG1-CE1 4.32Å; I743-F775 HydrophobicContact CG2-CD1 4.16Å; I743-F775 HydrophobicContact CG2-CE1 3.77Å; D771-F775 PolarHBondContact O-N 3.41Å; L772-F775 WeakPolarHBondContact O-CB 3.42Å; L772-F775 PolarHBondContact O-N 2.82Å; K773-F775 PolarHBondContact O-N 2.96Å; F775-D778 PolarHBondContact O-N 3.06Å; F775-L779 PolarHBondContact O-N 3.29Å |
| 776 | V | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.9 | -36.9 | 177 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | I743 Y753 L762 L772 K773 D778 L779 A780 Y784 | I743-V776 HydrophobicContact CD1-CG2 3.65Å; Y753-V776 HydrophobicContact CD2-CG1 3.8Å; Y753-V776 HydrophobicContact CE2-CG1 4.11Å; Y753-V776 HydrophobicContact CG-CG1 4.46Å; L762-V776 HydrophobicContact CD1-CG2 3.95Å; L762-V776 HydrophobicContact CD2-CG2 4.02Å; L772-V776 HydrophobicContact CD1-CG2 3.75Å; L772-V776 HydrophobicContact CG-CG2 4.05Å; L772-V776 WeakPolarHBondContact O-CG2 3.2Å; L772-V776 PolarHBondContact O-N 3.07Å; K773-V776 PolarHBondContact O-N 3.24Å; V776-D778 PolarHBondContact O-N 2.88Å; V776-L779 PolarHBondContact O-N 3.05Å; V776-A780 WeakPolarHBondContact O-CB 3.46Å; V776-A780 PolarHBondContact O-N 3.16Å; V776-Y784 HydrophobicContact CB-CE2 4.39Å; V776-Y784 HydrophobicContact CG1-CD1 4.24Å; V776-Y784 HydrophobicContact CG1-CD2 4.15Å; V776-Y784 HydrophobicContact CG1-CE1 3.79Å; V776-Y784 HydrophobicContact CG1-CE2 3.65Å; V776-Y784 HydrophobicContact CG1-CG 4.42Å; V776-Y784 VanDerWaalsContact CG1-CZ 3.45Å |
| 777 | D | 91.5 | Very high | 91 | Very high | 69 Ų | 69 | 41.9 Ų | 41.9 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.9 | -36.1 | 173.4 | -70.4 | -28.9 | 0 | 0 | 0 | 111.8 | K773 Y784 | K773-D777 WeakPolarHBondContact CG-OD2 3.47Å; K773-D777 IonicContact NZ-OD1 2.8Å; K773-D777 PolarHBondContact NZ-OD1 2.58Å; K773-D777 IonicContact NZ-OD2 2.75Å; K773-D777 PolarHBondContact NZ-OD2 2.81Å; K773-D777 VanDerWaalsContact O-CG 3.25Å; K773-D777 PolarHBondContact O-N 2.87Å; D777-Y784 PolarHBondContact OD1-OH 2.75Å; D777-Y784 VanDerWaalsContact OD1-OH 3.07Å |
| 778 | D | 88.3 | Confident | 91.4 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 56% | 0.556 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -76.3 | -23.4 | 176.4 | -68.3 | -30.7 | 0 | 0 | 0 | 113.2 | R727 S774 F775 V776 | R727-D778 IonicContact CZ-OD2 3.9Å; R727-D778 VanDerWaalsContact CZ-OD2 3.27Å; R727-D778 IonicContact NH1-OD2 3.57Å; R727-D778 PolarHBondContact NH1-OD2 2.93Å; R727-D778 IonicContact NH2-OD2 3.04Å; R727-D778 PolarHBondContact NH2-OD2 2.91Å; S774-D778 VanDerWaalsContact O-CG 3.26Å; S774-D778 PolarHBondContact O-N 3.28Å; F775-D778 PolarHBondContact O-N 3.06Å; V776-D778 PolarHBondContact O-N 2.88Å |
| 779 | L | 89.9 | Confident | 91.8 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -87.5 | -38.7 | 178.4 | 178.8 | 66.7 | 0 | 0 | 0 | 112.1 | T733 F741 I743 Y753 F775 V776 | T733-L779 HydrophobicContact CG2-CD1 4.07Å; T733-L779 HydrophobicContact CG2-CD2 3.7Å; T733-L779 HydrophobicContact CG2-CG 4.45Å; F741-L779 HydrophobicContact CB-CD2 4.14Å; F741-L779 HydrophobicContact CD1-CD1 4.34Å; F741-L779 HydrophobicContact CG-CD1 4.49Å; F741-L779 HydrophobicContact CG-CD2 4.47Å; I743-L779 HydrophobicContact CD1-CD2 4.15Å; I743-L779 HydrophobicContact CG1-CD2 4.33Å; Y753-L779 HydrophobicContact CD1-CD2 3.81Å; Y753-L779 HydrophobicContact CD1-CG 4.05Å; Y753-L779 HydrophobicContact CG-CD2 4.09Å; F775-L779 PolarHBondContact O-N 3.29Å; V776-L779 PolarHBondContact O-N 3.05Å |
| 780 | A | 91.5 | Very high | 92.4 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | trans | -75.9 | 137 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y753 V776 Y784 | Y753-A780 HydrophobicContact CE1-CB 4.13Å; Y753-A780 HydrophobicContact CE2-CB 3.86Å; Y753-A780 VanDerWaalsContact CZ-CB 3.45Å; Y753-A780 WeakPolarHBondContact OH-CA 3.39Å; Y753-A780 WeakPolarHBondContact OH-CB 3.34Å; V776-A780 WeakPolarHBondContact O-CB 3.46Å; V776-A780 PolarHBondContact O-N 3.16Å; A780-Y784 HydrophobicContact CB-CD1 3.8Å; A780-Y784 HydrophobicContact CB-CE1 4.11Å | ||
| 781 | T | 90.7 | Very high | 93.1 | Very high | 119 Ų | 119 | 40.2 Ų | 40.2 | 73% | 0.73 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -101.4 | -4.5 | 173.2 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | Q755 | Q755-T781 PolarHBondContact NE2-OG1 3.44Å; Q755-T781 PolarHBondContact OE1-OG1 2.78Å |
| 782 | T | 91.7 | Very high | 93.5 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -138.3 | 162.6 | 179 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | Q755 S759 G760 | Q755-T782 PolarHBondContact NE2-OG1 3.45Å; S759-T782 WeakPolarHBondContact CA-OG1 3.23Å; S759-T782 PolarHBondContact O-OG1 2.93Å; G760-T782 PolarHBondContact N-OG1 3.29Å |
| 783 | E | 94.2 | Very high | 93.6 | Very high | 178 Ų | 178 | 37.9 Ų | 37.9 | 83% | 0.832 | 20% | 0.202 | S | C | * | . | trans | -60 | 144.4 | 169.4 | -71.1 | -169.9 | 164.2 | 0 | 0 | 110.3 | S759 G760 | S759-E783 CarbonylContact C-O 3.6Å; S759-E783 WeakPolarHBondContact CA-O 3.36Å; S759-E783 VanDerWaalsContact CB-O 3.25Å; S759-E783 WeakPolarHBondContact CB-O 3.16Å; G760-E783 PolarHBondContact N-O 2.88Å | ||
| 784 | Y | 97.1 | Very high | 93.6 | Very high | 40 Ų | 40 | 36.4 Ų | 36.4 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.1 | -173.3 | 61.7 | -87.5 | 0 | 0 | 0 | 113.3 | Y753 G760 L762 V776 D777 A780 V786 F802 | Y753-Y784 HydrophobicContact CE2-CD1 4.32Å; Y753-Y784 HydrophobicContact CE2-CG 4.01Å; G760-Y784 VanDerWaalsContact C-CB 3.46Å; G760-Y784 CarbonylContact O-C 3.58Å; G760-Y784 WeakPolarHBondContact O-CA 3.23Å; G760-Y784 WeakPolarHBondContact O-CB 3.34Å; L762-Y784 HydrophobicContact CB-CD2 3.98Å; L762-Y784 HydrophobicContact CB-CE2 4.25Å; L762-Y784 HydrophobicContact CD2-CE2 4.29Å; V776-Y784 HydrophobicContact CB-CE2 4.39Å; V776-Y784 HydrophobicContact CG1-CD1 4.24Å; V776-Y784 HydrophobicContact CG1-CD2 4.15Å; V776-Y784 HydrophobicContact CG1-CE1 3.79Å; V776-Y784 HydrophobicContact CG1-CE2 3.65Å; V776-Y784 HydrophobicContact CG1-CG 4.42Å; V776-Y784 VanDerWaalsContact CG1-CZ 3.45Å; D777-Y784 PolarHBondContact OD1-OH 2.75Å; D777-Y784 VanDerWaalsContact OD1-OH 3.07Å; A780-Y784 HydrophobicContact CB-CD1 3.8Å; A780-Y784 HydrophobicContact CB-CE1 4.11Å; Y784-V786 HydrophobicContact CD2-CG2 4.4Å; Y784-V786 HydrophobicContact CE2-CG2 4.25Å; Y784-F802 HydrophobicContact CE2-CD1 4.27Å; Y784-F802 AromaticContact CE2-CE1 3.88Å; Y784-F802 HydrophobicContact CE2-CE1 3.88Å |
| 785 | T | 97 | Very high | 94 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 25% | 0.252 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 145.2 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | G760 A761 L762 I787 Y806 F861 | G760-T785 PolarHBondContact O-N 3.44Å; A761-T785 CarbonylContact C-O 3.53Å; A761-T785 VanDerWaalsContact CA-O 3.28Å; A761-T785 WeakPolarHBondContact CA-O 3.31Å; L762-T785 PolarHBondContact N-O 3.01Å; T785-I787 HydrophobicContact CG2-CG1 4.18Å; T785-Y806 HydrophobicContact CG2-CD2 3.59Å; T785-Y806 HydrophobicContact CG2-CE2 3.51Å; T785-F861 HydrophobicContact CG2-CE1 4.07Å |
| 786 | V | 98.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.5 | 175.3 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | L762 T765 Y784 F802 V805 Y806 | L762-V786 HydrophobicContact CB-CG2 4.34Å; L762-V786 HydrophobicContact CD2-CG1 4.4Å; L762-V786 HydrophobicContact CD2-CG2 4.24Å; L762-V786 WeakPolarHBondContact O-CA 3.46Å; T765-V786 HydrophobicContact CG2-CG1 3.57Å; Y784-V786 HydrophobicContact CD2-CG2 4.4Å; Y784-V786 HydrophobicContact CE2-CG2 4.25Å; V786-F802 HydrophobicContact CG2-CB 3.98Å; V786-F802 HydrophobicContact CG2-CD1 3.61Å; V786-F802 HydrophobicContact CG2-CD2 4.22Å; V786-F802 HydrophobicContact CG2-CE1 4.12Å; V786-F802 HydrophobicContact CG2-CG 3.66Å; V786-V805 HydrophobicContact CB-CG1 4.32Å; V786-V805 HydrophobicContact CB-CG2 4.13Å; V786-V805 HydrophobicContact CG1-CG1 3.99Å; V786-V805 HydrophobicContact CG1-CG2 4.26Å; V786-Y806 PolarHBondContact O-N 3.41Å |
| 787 | I | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 120.3 | -175.7 | -49.3 | 167.7 | 0 | 0 | 0 | 108.3 | A761 L762 L763 D764 T785 L855 F861 L870 F883 | A761-I787 HydrophobicContact CB-CD1 4.21Å; L762-I787 PolarHBondContact O-N 2.75Å; L763-I787 VanDerWaalsContact CA-O 3.31Å; L763-I787 WeakPolarHBondContact CA-O 3.42Å; L763-I787 HydrophobicContact CD2-CB 3.94Å; L763-I787 HydrophobicContact CD2-CD1 4.13Å; D764-I787 PolarHBondContact N-O 2.98Å; T785-I787 HydrophobicContact CG2-CG1 4.18Å; I787-L855 HydrophobicContact CG2-CD1 3.85Å; I787-L855 HydrophobicContact CG2-CD2 3.64Å; I787-L855 HydrophobicContact CG2-CG 4.41Å; I787-F861 HydrophobicContact CD1-CD1 4.04Å; I787-F861 HydrophobicContact CD1-CD2 3.62Å; I787-F861 HydrophobicContact CD1-CE1 3.98Å; I787-F861 HydrophobicContact CD1-CE2 3.56Å; I787-F861 HydrophobicContact CD1-CG 3.88Å; I787-F861 HydrophobicContact CD1-CZ 3.75Å; I787-F861 HydrophobicContact CG1-CE1 4.35Å; I787-F861 HydrophobicContact CG1-CE2 4.26Å; I787-F861 HydrophobicContact CG1-CZ 4.06Å; I787-L870 HydrophobicContact CG2-CD2 4.33Å; I787-F883 HydrophobicContact CG2-CE1 3.61Å; I787-F883 HydrophobicContact CG2-CZ 4Å |
| 788 | L | 98.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | trans | -93.8 | 134.8 | 179.2 | -58.9 | 179.1 | 0 | 0 | 0 | 110.6 | T765 A796 V805 Y806 L807 F852 | T765-L788 HydrophobicContact CG2-CD2 3.96Å; L788-A796 HydrophobicContact CD1-CB 3.68Å; L788-A796 HydrophobicContact CD2-CB 4.48Å; L788-V805 HydrophobicContact CD1-CG1 3.66Å; L788-V805 HydrophobicContact CD2-CG1 4.28Å; L788-V805 HydrophobicContact CG-CG1 3.65Å; L788-Y806 WeakPolarHBondContact CB-O 3.16Å; L788-Y806 PolarHBondContact N-O 3.14Å; L788-L807 HydrophobicContact CB-CD1 3.81Å; L788-L807 HydrophobicContact CD1-CB 4.35Å; L788-L807 HydrophobicContact CD1-CD1 4.18Å; L788-F852 HydrophobicContact CD1-CD1 4.46Å; L788-F852 HydrophobicContact CD1-CE1 3.76Å; L788-F852 HydrophobicContact CD1-CZ 4.44Å | ||
| 789 | S | 97.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -66.5 | -41.9 | 173.3 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | D764 M881 | D764-S789 VanDerWaalsContact CG-OG 3.3Å; D764-S789 WeakPolarHBondContact OD1-CB 3.33Å; D764-S789 PolarHBondContact OD1-N 3.47Å; D764-S789 PolarHBondContact OD1-OG 3.03Å; D764-S789 PolarHBondContact OD2-OG 2.84Å; S789-M881 WeakPolarHBondContact O-CB 3.38Å; S789-M881 PolarHBondContact O-N 2.98Å |
| 790 | H | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -164.6 | 177.8 | 178.3 | 64.9 | -71.1 | 0 | 0 | 0 | 112.4 | H792 H795 D811 H876 T877 M880 | H790-H792 AromaticContact CD2-CG 3.5Å; H790-H792 VanDerWaalsContact CD2-CG 3.5Å; H790-H792 AromaticContact CD2-ND1 3.24Å; H790-H792 PolarHBondContact CD2-ND1 3.44Å; H790-H792 WeakPolarHBondContact NE2-CB 3.33Å; H790-H792 AromaticContact NE2-CG 3.55Å; H790-H792 AromaticContact NE2-ND1 3.11Å; H790-H792 PolarHBondContact NE2-ND1 3.21Å; H790-H792 VanDerWaalsContact NE2-ND1 3.11Å; H790-H795 AromaticContact CE1-CD2 3.07Å; H790-H795 PolarHBondContact CE1-CD2 3.34Å; H790-H795 AromaticContact CE1-CE1 3.63Å; H790-H795 AromaticContact CE1-CG 3.4Å; H790-H795 VanDerWaalsContact CE1-CG 3.4Å; H790-H795 AromaticContact CE1-ND1 3.74Å; H790-H795 AromaticContact CE1-NE2 3.24Å; H790-H795 PolarHBondContact CE1-NE2 2.85Å; H790-H795 AromaticContact ND1-CD2 3.95Å; H790-H795 AromaticContact ND1-CG 3.86Å; H790-H795 AromaticContact NE2-CD2 3.44Å; H790-H795 PolarHBondContact NE2-CD2 3.24Å; H790-H795 AromaticContact NE2-NE2 3.78Å; H790-D811 WeakPolarHBondContact CA-OD2 3.21Å; H790-D811 VanDerWaalsContact CB-OD2 3.26Å; H790-D811 WeakPolarHBondContact CB-OD2 3.37Å; H790-H876 AromaticContact CD2-CD2 3.96Å; H790-H876 AromaticContact NE2-CD2 3.55Å; H790-H876 AromaticContact NE2-NE2 3.74Å; H790-T877 HydrophobicContact CB-CG2 4.21Å; H790-M880 HydrophobicContact CB-SD 3.63Å; H790-M880 VanDerWaalsContact CG-SD 3.52Å; H790-M880 PolarHBondContact ND1-SD 3.07Å; H790-M880 VanDerWaalsContact ND1-SD 3.36Å | ||
| 791 | G | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -85.7 | 5.4 | -172 | 0 | 0 | 0 | 0 | 0 | 117.2 | D811 E815 | G791-D811 PolarHBondContact N-OD2 3.29Å; G791-E815 VanDerWaalsContact O-CA 3.27Å; G791-E815 WeakPolarHBondContact O-CA 3.45Å |
| 792 | H | 95.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 5% | 0.046 | 11% | 0.11 | C | C | . | . | trans | -71.1 | 152.5 | 177.8 | -71.5 | 148.7 | 0 | 0 | 0 | 112.5 | H790 D794 H795 A796 H818 H876 T877 E907 | H790-H792 AromaticContact CD2-CG 3.5Å; H790-H792 VanDerWaalsContact CD2-CG 3.5Å; H790-H792 AromaticContact CD2-ND1 3.24Å; H790-H792 PolarHBondContact CD2-ND1 3.44Å; H790-H792 WeakPolarHBondContact NE2-CB 3.33Å; H790-H792 AromaticContact NE2-CG 3.55Å; H790-H792 AromaticContact NE2-ND1 3.11Å; H790-H792 PolarHBondContact NE2-ND1 3.21Å; H790-H792 VanDerWaalsContact NE2-ND1 3.11Å; H792-D794 VanDerWaalsContact C-N 3.3Å; H792-D794 WeakPolarHBondContact CB-OD1 3.33Å; H792-D794 PolarHBondContact O-N 2.95Å; H792-H795 PolarHBondContact O-N 2.73Å; H792-H795 VanDerWaalsContact O-N 3.09Å; H792-A796 WeakPolarHBondContact O-CB 3.44Å; H792-A796 PolarHBondContact O-N 3.36Å; H792-H818 AromaticContact CD2-CE1 3.72Å; H792-H818 AromaticContact CD2-ND1 3.29Å; H792-H818 PolarHBondContact CD2-ND1 2.91Å; H792-H818 VanDerWaalsContact CD2-ND1 3.29Å; H792-H818 AromaticContact NE2-CE1 3.92Å; H792-H818 AromaticContact NE2-ND1 3.95Å; H792-H876 AromaticContact CE1-CD2 3.57Å; H792-H876 AromaticContact CE1-CE1 3.52Å; H792-H876 AromaticContact CE1-NE2 3.03Å; H792-H876 PolarHBondContact CE1-NE2 2.83Å; H792-H876 AromaticContact ND1-CD2 3.44Å; H792-H876 PolarHBondContact ND1-CD2 3.44Å; H792-H876 AromaticContact ND1-CE1 3.76Å; H792-H876 AromaticContact ND1-NE2 2.86Å; H792-H876 PolarHBondContact ND1-NE2 3.39Å; H792-T877 VanDerWaalsContact CE1-CG2 3.42Å; H792-T877 WeakPolarHBondContact CE1-CG2 3.17Å; H792-E907 IonicContact NE2-OE1 2.58Å; H792-E907 PolarHBondContact NE2-OE1 3.22Å | ||
| 793 | C | 93.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.2 | -26.8 | -167.1 | 57.9 | 0 | 0 | 0 | 0 | 114.8 | G766 L767 H795 G797 H818 R824 | G766-C793 VanDerWaalsContact O-O 3.11Å; L767-C793 WeakPolarHBondContact CA-O 3.23Å; L767-C793 HydrophobicContact CD1-CB 4.45Å; C793-H795 PolarHBondContact O-N 3.23Å; C793-G797 WeakPolarHBondContact O-CA 3.38Å; C793-G797 PolarHBondContact O-N 3.38Å; C793-H818 HydrophobicContact CB-CB 4.07Å; C793-H818 VanDerWaalsContact CB-O 3.29Å; C793-H818 WeakPolarHBondContact CB-O 3.38Å; C793-R824 HydrophobicContact CB-CG 3.59Å |
| 794 | D | 91.6 | Very high | 95.3 | Very high | 38 Ų | 38 | 25 Ų | 25 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -74.3 | -10.1 | 174 | 53.2 | -32.9 | 0 | 0 | 0 | 113.5 | G766 L767 H792 H935 | G766-D794 CarbonylContact C-O 3.58Å; G766-D794 WeakPolarHBondContact CA-O 3.34Å; L767-D794 HydrophobicContact CD1-CB 4.04Å; H792-D794 VanDerWaalsContact C-N 3.3Å; H792-D794 WeakPolarHBondContact CB-OD1 3.33Å; H792-D794 PolarHBondContact O-N 2.95Å; D794-H935 IonicContact OD2-CE1 2.94Å; D794-H935 PolarHBondContact OD2-CE1 3Å; D794-H935 IonicContact OD2-NE2 3.59Å; D794-H935 PolarHBondContact OD2-NE2 3.29Å |
| 795 | H | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -114.1 | -35.7 | 173.9 | -61.1 | -95.4 | 0 | 0 | 0 | 112.5 | D764 T765 G766 H790 H792 C793 D895 N934 H935 | D764-H795 HydrophobicContact CB-CB 4.2Å; D764-H795 IonicContact OD2-CE1 3.37Å; D764-H795 IonicContact OD2-CG 3.2Å; D764-H795 IonicContact OD2-ND1 2.9Å; D764-H795 PolarHBondContact OD2-ND1 3.04Å; T765-H795 WeakPolarHBondContact CA-O 3.43Å; T765-H795 PolarHBondContact N-O 3.4Å; T765-H795 PolarHBondContact OG1-O 2.68Å; G766-H795 PolarHBondContact N-O 2.93Å; H790-H795 AromaticContact CE1-CD2 3.07Å; H790-H795 PolarHBondContact CE1-CD2 3.34Å; H790-H795 AromaticContact CE1-CE1 3.63Å; H790-H795 AromaticContact CE1-CG 3.4Å; H790-H795 VanDerWaalsContact CE1-CG 3.4Å; H790-H795 AromaticContact CE1-ND1 3.74Å; H790-H795 AromaticContact CE1-NE2 3.24Å; H790-H795 PolarHBondContact CE1-NE2 2.85Å; H790-H795 AromaticContact ND1-CD2 3.95Å; H790-H795 AromaticContact ND1-CG 3.86Å; H790-H795 AromaticContact NE2-CD2 3.44Å; H790-H795 PolarHBondContact NE2-CD2 3.24Å; H790-H795 AromaticContact NE2-NE2 3.78Å; H792-H795 PolarHBondContact O-N 2.73Å; H792-H795 VanDerWaalsContact O-N 3.09Å; C793-H795 PolarHBondContact O-N 3.23Å; H795-D895 IonicContact CE1-OD1 3.64Å; H795-D895 IonicContact NE2-OD1 2.63Å; H795-D895 IonicContact NE2-OD2 2.89Å; H795-N934 PolarHBondContact ND1-ND2 3.34Å; H795-H935 AromaticContact CE1-NE2 3.72Å; H795-H935 AromaticContact NE2-NE2 3.36Å; H795-H935 PolarHBondContact NE2-NE2 3.01Å |
| 796 | A | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -106.1 | -6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T765 L788 H792 G798 S799 E815 | T765-A796 WeakPolarHBondContact OG1-CA 3.4Å; T765-A796 PolarHBondContact OG1-O 3.18Å; L788-A796 HydrophobicContact CD1-CB 3.68Å; L788-A796 HydrophobicContact CD2-CB 4.48Å; H792-A796 WeakPolarHBondContact O-CB 3.44Å; H792-A796 PolarHBondContact O-N 3.36Å; A796-G798 VanDerWaalsContact C-N 3.28Å; A796-G798 PolarHBondContact O-N 2.95Å; A796-S799 WeakPolarHBondContact O-CB 3.15Å; A796-S799 PolarHBondContact O-N 2.8Å; A796-S799 PolarHBondContact O-OG 2.89Å; A796-E815 HydrophobicContact CB-CG 4.03Å |
| 797 | G | 93.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G766 G768 C793 R824 | G766-G797 WeakPolarHBondContact O-CA 3.47Å; G766-G797 PolarHBondContact O-N 2.92Å; G768-G797 VanDerWaalsContact CA-C 3.47Å; G768-G797 WeakPolarHBondContact CA-O 3.27Å; C793-G797 WeakPolarHBondContact O-CA 3.38Å; C793-G797 PolarHBondContact O-N 3.38Å; G797-R824 PolarHBondContact O-NH1 3.41Å |
| 798 | G | 93.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -1.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | T765 G766 A796 S800 Q801 | T765-G798 WeakPolarHBondContact O-CA 3.46Å; T765-G798 PolarHBondContact O-N 3.15Å; T765-G798 PolarHBondContact OG1-N 2.98Å; G766-G798 PolarHBondContact O-N 2.73Å; A796-G798 VanDerWaalsContact C-N 3.28Å; A796-G798 PolarHBondContact O-N 2.95Å; G798-S800 PolarHBondContact O-N 2.89Å; G798-Q801 PolarHBondContact O-N 2.79Å |
| 799 | S | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -63.2 | -15.8 | -172.9 | 65.9 | 0 | 0 | 0 | 0 | 114.9 | T765 A796 Q801 F802 R848 | T765-S799 PolarHBondContact OG1-N 3.14Å; A796-S799 WeakPolarHBondContact O-CB 3.15Å; A796-S799 PolarHBondContact O-N 2.8Å; A796-S799 PolarHBondContact O-OG 2.89Å; S799-Q801 PolarHBondContact O-N 3.19Å; S799-F802 PolarHBondContact O-N 3Å; S799-R848 PolarHBondContact O-NH1 2.81Å |
| 800 | S | 94.7 | Very high | 95.2 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -70.9 | -15.1 | 178.7 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | G798 F802 P846 | G798-S800 PolarHBondContact O-N 2.89Å; S800-F802 VanDerWaalsContact C-N 3.32Å; S800-P846 WeakPolarHBondContact CB-O 3.47Å; S800-P846 PolarHBondContact OG-O 3.32Å |
| 801 | Q | 93.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 30.5 Ų | 30.5 | 19% | 0.187 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -79.5 | -14 | 177.9 | -52.8 | -164.8 | -88.6 | 0 | 0 | 113.9 | D771 K773 G798 S799 L845 | D771-Q801 PolarHBondContact OD1-NE2 3.09Å; K773-Q801 HydrophobicContact CB-CB 3.81Å; K773-Q801 WeakPolarHBondContact CD-O 3.36Å; G798-Q801 PolarHBondContact O-N 2.79Å; S799-Q801 PolarHBondContact O-N 3.19Å; Q801-L845 HydrophobicContact CG-CD1 3.41Å; Q801-L845 VanDerWaalsContact CG-CD1 3.41Å; Q801-L845 HydrophobicContact CG-CD2 4.18Å; Q801-L845 HydrophobicContact CG-CG 4.43Å |
| 802 | F | 95.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.066 | 17% | 0.167 | C | C | . | . | trans | -112.9 | 144.3 | -170.3 | -55.7 | -83.1 | 0 | 0 | 0 | 110.4 | L762 T765 L772 K773 Y784 V786 S799 S800 V805 R848 | L762-F802 HydrophobicContact CD2-CE1 4.01Å; L762-F802 HydrophobicContact CD2-CE2 4.21Å; L762-F802 HydrophobicContact CD2-CZ 3.6Å; T765-F802 HydrophobicContact CG2-CD2 4.09Å; T765-F802 HydrophobicContact CG2-CE2 3.76Å; L772-F802 HydrophobicContact CD2-CE2 4.49Å; L772-F802 HydrophobicContact CD2-CZ 4.42Å; L772-F802 HydrophobicContact CG-CZ 4.3Å; K773-F802 HydrophobicContact CB-CD1 4.38Å; K773-F802 HydrophobicContact CB-CE1 3.74Å; K773-F802 HydrophobicContact CB-CZ 3.91Å; K773-F802 HydrophobicContact CD-CD1 4.28Å; K773-F802 HydrophobicContact CD-CE1 4.39Å; K773-F802 HydrophobicContact CG-CD1 4.43Å; K773-F802 HydrophobicContact CG-CE1 4.04Å; Y784-F802 HydrophobicContact CE2-CD1 4.27Å; Y784-F802 AromaticContact CE2-CE1 3.88Å; Y784-F802 HydrophobicContact CE2-CE1 3.88Å; V786-F802 HydrophobicContact CG2-CB 3.98Å; V786-F802 HydrophobicContact CG2-CD1 3.61Å; V786-F802 HydrophobicContact CG2-CD2 4.22Å; V786-F802 HydrophobicContact CG2-CE1 4.12Å; V786-F802 HydrophobicContact CG2-CG 3.66Å; S799-F802 PolarHBondContact O-N 3Å; S800-F802 VanDerWaalsContact C-N 3.32Å; F802-V805 HydrophobicContact CB-CG2 3.72Å; F802-R848 PolarHBondContact O-NH1 2.61Å | ||
| 803 | E | 89.9 | Confident | 95 | Very high | 178 Ų | 178 | 38.7 Ų | 38.7 | 83% | 0.832 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -75.5 | -50.1 | -179.7 | -69.8 | -171.9 | 165.4 | 0 | 0 | 111.7 | R848 | E803-R848 PolarHBondContact O-NH2 2.75Š|
| 804 | E | 92.2 | Very high | 95.1 | Very high | 111 Ų | 111 | 39.1 Ų | 39.1 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | trans | -110.6 | 118.5 | -178.9 | -59.1 | -164.6 | 139.5 | 0 | 0 | 111.1 | K853 | E804-K853 HydrophobicContact CB-CD 4.49Å; E804-K853 WeakPolarHBondContact OE1-CE 3.28Å; E804-K853 IonicContact OE1-NZ 2.66Å; E804-K853 PolarHBondContact OE1-NZ 3.17Å; E804-K853 WeakPolarHBondContact OE2-CE 3.4Å; E804-K853 IonicContact OE2-NZ 2.62Å; E804-K853 PolarHBondContact OE2-NZ 2.89Å | ||
| 805 | V | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.7 | -179.6 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | V786 L788 F802 R848 F852 K853 | V786-V805 HydrophobicContact CB-CG1 4.32Å; V786-V805 HydrophobicContact CB-CG2 4.13Å; V786-V805 HydrophobicContact CG1-CG1 3.99Å; V786-V805 HydrophobicContact CG1-CG2 4.26Å; L788-V805 HydrophobicContact CD1-CG1 3.66Å; L788-V805 HydrophobicContact CD2-CG1 4.28Å; L788-V805 HydrophobicContact CG-CG1 3.65Å; F802-V805 HydrophobicContact CB-CG2 3.72Å; V805-R848 VanDerWaalsContact CG2-NH1 3.34Å; V805-F852 HydrophobicContact CB-CD1 3.98Å; V805-F852 HydrophobicContact CB-CE1 4.12Å; V805-F852 HydrophobicContact CG1-CD1 3.91Å; V805-F852 HydrophobicContact CG1-CE1 3.83Å; V805-F852 WeakPolarHBondContact O-CA 3.32Å; V805-K853 PolarHBondContact O-N 2.94Å |
| 806 | Y | 98.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133.8 | 176 | -73.3 | -104.5 | 0 | 0 | 0 | 111.1 | T785 V786 L788 K853 L855 M859 F861 | T785-Y806 HydrophobicContact CG2-CD2 3.59Å; T785-Y806 HydrophobicContact CG2-CE2 3.51Å; V786-Y806 PolarHBondContact O-N 3.41Å; L788-Y806 WeakPolarHBondContact CB-O 3.16Å; L788-Y806 PolarHBondContact N-O 3.14Å; Y806-K853 WeakPolarHBondContact CA-O 3.47Å; Y806-K853 HydrophobicContact CD1-CB 3.62Å; Y806-K853 HydrophobicContact CD2-CB 4.08Å; Y806-K853 HydrophobicContact CD2-CD 4.25Å; Y806-K853 HydrophobicContact CE1-CB 3.65Å; Y806-K853 HydrophobicContact CE1-CD 4.04Å; Y806-K853 HydrophobicContact CE2-CB 4.08Å; Y806-K853 HydrophobicContact CE2-CD 3.53Å; Y806-K853 HydrophobicContact CE2-CG 4.41Å; Y806-K853 HydrophobicContact CG-CB 3.84Å; Y806-K853 VanDerWaalsContact CZ-CD 3.41Å; Y806-K853 WeakPolarHBondContact OH-CD 3.28Å; Y806-L855 HydrophobicContact CD1-CD1 4.06Å; Y806-L855 HydrophobicContact CG-CD1 4.3Å; Y806-M859 HydrophobicContact CD1-SD 4.19Å; Y806-M859 HydrophobicContact CE1-CE 4.37Å; Y806-M859 HydrophobicContact CE1-SD 4Å; Y806-F861 HydrophobicContact CD1-CZ 4.22Å; Y806-F861 HydrophobicContact CE1-CZ 4.29Å; Y806-F861 HydrophobicContact CE2-CE1 4.28Å; Y806-F861 HydrophobicContact CG-CZ 4.33Å |
| 807 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.5 | 174.1 | -179.2 | 63.9 | 0 | 0 | 0 | 109.6 | L788 D811 E812 E815 F852 K853 L855 | L788-L807 HydrophobicContact CB-CD1 3.81Å; L788-L807 HydrophobicContact CD1-CB 4.35Å; L788-L807 HydrophobicContact CD1-CD1 4.18Å; L807-D811 HydrophobicContact CD1-CB 4.26Å; L807-E812 HydrophobicContact CD2-CG 4.44Å; L807-E815 HydrophobicContact CD2-CB 3.83Å; L807-E815 HydrophobicContact CD2-CG 4.14Å; L807-F852 HydrophobicContact CB-CB 3.98Å; L807-F852 HydrophobicContact CB-CD1 3.62Å; L807-F852 HydrophobicContact CB-CD2 4.36Å; L807-F852 HydrophobicContact CB-CE1 4.18Å; L807-F852 HydrophobicContact CB-CG 3.73Å; L807-F852 HydrophobicContact CD2-CD1 4.27Å; L807-F852 HydrophobicContact CD2-CD2 3.93Å; L807-F852 HydrophobicContact CD2-CE1 4.21Å; L807-F852 HydrophobicContact CD2-CE2 3.86Å; L807-F852 HydrophobicContact CD2-CG 4.13Å; L807-F852 HydrophobicContact CD2-CZ 4.01Å; L807-K853 PolarHBondContact N-O 3.3Å; L807-K853 VanDerWaalsContact N-O 3.07Å; L807-L855 VanDerWaalsContact C-CB 3.5Å; L807-L855 PolarHBondContact O-N 2.8Å |
| 808 | S | 97.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -62.4 | 131 | 172 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L810 D811 G879 | S808-L810 PolarHBondContact O-N 3.2Å; S808-L810 PolarHBondContact OG-N 2.99Å; S808-D811 PolarHBondContact O-N 2.72Å; S808-G879 WeakPolarHBondContact CB-O 3.48Å; S808-G879 WeakPolarHBondContact OG-CA 3.19Å | ||
| 809 | P | 96.3 | Very high | 94.9 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 35% | 0.351 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.4 | 177 | -25.9 | 34.4 | 0 | 0 | 0 | 113.9 | D811 Q854 | P809-D811 VanDerWaalsContact C-N 3.26Å; P809-D811 PolarHBondContact O-N 2.86Å; P809-Q854 HydrophobicContact CG-CB 4.02Å; P809-Q854 HydrophobicContact CG-CG 3.91Å |
| 810 | L | 96.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 50 Ų | 50 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20 | 179.2 | -62.2 | 176.3 | 0 | 0 | 0 | 113.3 | S808 L872 K878 | S808-L810 PolarHBondContact O-N 3.2Å; S808-L810 PolarHBondContact OG-N 2.99Å; L810-L872 HydrophobicContact CD1-CD2 4.07Å; L810-K878 HydrophobicContact CB-CB 4.08Å; L810-K878 WeakPolarHBondContact CD1-O 3.41Å |
| 811 | D | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 1.9 | -177.5 | -81.4 | -0.4 | 0 | 0 | 0 | 113.4 | H790 G791 L807 S808 P809 E813 L814 E815 T877 G879 | H790-D811 WeakPolarHBondContact CA-OD2 3.21Å; H790-D811 VanDerWaalsContact CB-OD2 3.26Å; H790-D811 WeakPolarHBondContact CB-OD2 3.37Å; G791-D811 PolarHBondContact N-OD2 3.29Å; L807-D811 HydrophobicContact CD1-CB 4.26Å; S808-D811 PolarHBondContact O-N 2.72Å; P809-D811 VanDerWaalsContact C-N 3.26Å; P809-D811 PolarHBondContact O-N 2.86Å; D811-E813 VanDerWaalsContact C-N 3.31Å; D811-E813 PolarHBondContact O-N 2.9Å; D811-L814 HydrophobicContact CB-CB 4.49Å; D811-L814 WeakPolarHBondContact O-CB 3.31Å; D811-L814 PolarHBondContact O-N 3.37Å; D811-L814 VanDerWaalsContact O-N 3.08Å; D811-E815 PolarHBondContact O-N 3.46Å; D811-T877 WeakPolarHBondContact OD1-CB 2.99Å; D811-T877 PolarHBondContact OD1-OG1 3.18Å; D811-T877 WeakPolarHBondContact OD2-CB 3.38Å; D811-T877 PolarHBondContact OD2-OG1 3.02Å; D811-G879 VanDerWaalsContact CG-CA 3.42Å; D811-G879 VanDerWaalsContact CG-N 3.34Å; D811-G879 WeakPolarHBondContact OD1-CA 3.46Å; D811-G879 PolarHBondContact OD1-N 3.16Å; D811-G879 WeakPolarHBondContact OD2-CA 3.24Å; D811-G879 PolarHBondContact OD2-N 3.39Å |
| 812 | E | 94.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 178.1 | -76.9 | -174.9 | -159.9 | 0 | 0 | 112.8 | L807 L814 K816 F852 | L807-E812 HydrophobicContact CD2-CG 4.44Å; E812-L814 VanDerWaalsContact C-N 3.32Å; E812-K816 WeakPolarHBondContact O-CG 3.11Å; E812-K816 PolarHBondContact O-N 3.06Å; E812-K816 VanDerWaalsContact O-N 3.07Å; E812-F852 HydrophobicContact CG-CD2 4.28Å |
| 813 | E | 93 | Very high | 94.2 | Very high | 130 Ų | 130 | 54.4 Ų | 54.4 | 61% | 0.607 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -71.2 | -30.4 | 176.9 | -68.1 | -60.6 | 120.2 | 0 | 0 | 112.1 | D811 K816 K817 | D811-E813 VanDerWaalsContact C-N 3.31Å; D811-E813 PolarHBondContact O-N 2.9Å; E813-K816 IonicContact OE1-NZ 2.94Å; E813-K816 PolarHBondContact OE1-NZ 3.37Å; E813-K817 PolarHBondContact O-N 2.91Å |
| 814 | L | 94.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69 | -47.1 | 174.9 | 176.8 | 62.5 | 0 | 0 | 0 | 110.7 | D811 E812 K816 K817 H818 T877 E907 | D811-L814 HydrophobicContact CB-CB 4.49Å; D811-L814 WeakPolarHBondContact O-CB 3.31Å; D811-L814 PolarHBondContact O-N 3.37Å; D811-L814 VanDerWaalsContact O-N 3.08Å; E812-L814 VanDerWaalsContact C-N 3.32Å; L814-K816 VanDerWaalsContact C-N 3.32Å; L814-K816 PolarHBondContact O-N 3.41Å; L814-K817 WeakPolarHBondContact O-CB 3.34Å; L814-K817 PolarHBondContact O-N 3.41Å; L814-K817 VanDerWaalsContact O-N 3.09Å; L814-H818 PolarHBondContact O-N 3.29Å; L814-T877 HydrophobicContact CD2-CG2 3.44Å; L814-T877 VanDerWaalsContact CD2-CG2 3.44Å; L814-E907 HydrophobicContact CD1-CB 3.89Å; L814-E907 HydrophobicContact CD1-CG 3.75Å; L814-E907 HydrophobicContact CD2-CB 4.22Å; L814-E907 HydrophobicContact CD2-CG 4.16Å |
| 815 | E | 95.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 175.5 | -171.8 | -75.4 | 156.3 | 0 | 0 | 110.7 | G791 A796 L807 D811 K817 H818 C819 F852 | G791-E815 VanDerWaalsContact O-CA 3.27Å; G791-E815 WeakPolarHBondContact O-CA 3.45Å; A796-E815 HydrophobicContact CB-CG 4.03Å; L807-E815 HydrophobicContact CD2-CB 3.83Å; L807-E815 HydrophobicContact CD2-CG 4.14Å; D811-E815 PolarHBondContact O-N 3.46Å; E815-K817 PolarHBondContact O-N 3.28Å; E815-H818 PolarHBondContact O-N 2.98Å; E815-C819 HydrophobicContact CG-CB 4.2Å; E815-C819 VanDerWaalsContact O-CB 3.22Å; E815-C819 WeakPolarHBondContact O-CB 3.32Å; E815-C819 PolarHBondContact O-N 2.73Å; E815-C819 WeakPolarHBondContact OE1-CB 3.2Å; E815-F852 HydrophobicContact CB-CE2 4.47Å; E815-F852 HydrophobicContact CG-CE2 3.93Å; E815-F852 HydrophobicContact CG-CZ 3.7Å |
| 816 | K | 93 | Very high | 93.6 | Very high | 105 Ų | 105 | 47.9 Ų | 47.9 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.5 | -38 | 177.5 | -76.8 | 173.5 | -164.1 | 163 | 0 | 112.5 | E812 E813 L814 Q847 | E812-K816 WeakPolarHBondContact O-CG 3.11Å; E812-K816 PolarHBondContact O-N 3.06Å; E812-K816 VanDerWaalsContact O-N 3.07Å; E813-K816 IonicContact OE1-NZ 2.94Å; E813-K816 PolarHBondContact OE1-NZ 3.37Å; L814-K816 VanDerWaalsContact C-N 3.32Å; L814-K816 PolarHBondContact O-N 3.41Å; K816-Q847 VanDerWaalsContact CA-NE2 3.34Å; K816-Q847 PolarHBondContact O-NE2 2.87Å |
| 817 | K | 91.6 | Very high | 92.9 | Very high | 114 Ų | 114 | 48.8 Ų | 48.8 | 50% | 0.496 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -76.3 | -48.5 | -179.1 | -174.6 | -169.1 | 163 | -136.8 | 0 | 111.5 | E813 L814 E815 E907 | E813-K817 PolarHBondContact O-N 2.91Å; L814-K817 WeakPolarHBondContact O-CB 3.34Å; L814-K817 PolarHBondContact O-N 3.41Å; L814-K817 VanDerWaalsContact O-N 3.09Å; E815-K817 PolarHBondContact O-N 3.28Å; K817-E907 IonicContact NZ-OE2 3.72Å |
| 818 | H | 93.5 | Very high | 92.2 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -86.6 | -32 | -170.2 | -72.4 | -150.1 | 0 | 0 | 0 | 112.3 | H792 C793 L814 E815 S820 F823 E907 | H792-H818 AromaticContact CD2-CE1 3.72Å; H792-H818 AromaticContact CD2-ND1 3.29Å; H792-H818 PolarHBondContact CD2-ND1 2.91Å; H792-H818 VanDerWaalsContact CD2-ND1 3.29Å; H792-H818 AromaticContact NE2-CE1 3.92Å; H792-H818 AromaticContact NE2-ND1 3.95Å; C793-H818 HydrophobicContact CB-CB 4.07Å; C793-H818 VanDerWaalsContact CB-O 3.29Å; C793-H818 WeakPolarHBondContact CB-O 3.38Å; L814-H818 PolarHBondContact O-N 3.29Å; E815-H818 PolarHBondContact O-N 2.98Å; H818-S820 VanDerWaalsContact C-N 3.29Å; H818-S820 PolarHBondContact O-N 3.48Å; H818-F823 HydrophobicContact CB-CD1 4.19Å; H818-F823 HydrophobicContact CB-CE1 3.97Å; H818-F823 AromaticContact CG-CE1 3.85Å; H818-F823 WeakPolarHBondContact O-CD1 3.34Å; H818-E907 IonicContact CE1-OE1 3.91Å; H818-E907 PolarHBondContact CE1-OE1 2.77Å; H818-E907 IonicContact NE2-OE1 3.46Å |
| 819 | C | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -85.8 | 5.2 | -176.4 | -65.8 | 0 | 0 | 0 | 0 | 114.6 | E815 K821 R824 | E815-C819 HydrophobicContact CG-CB 4.2Å; E815-C819 VanDerWaalsContact O-CB 3.22Å; E815-C819 WeakPolarHBondContact O-CB 3.32Å; E815-C819 PolarHBondContact O-N 2.73Å; E815-C819 WeakPolarHBondContact OE1-CB 3.2Å; C819-K821 PolarHBondContact O-N 3.18Å; C819-R824 PolarHBondContact O-NE 3.09Å; C819-R824 PolarHBondContact O-NH2 3.35Å |
| 820 | S | 92.8 | Very high | 90.6 | Very high | 32 Ų | 32 | 55.3 Ų | 55.3 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -59.1 | 138.8 | 169.8 | 80.2 | 0 | 0 | 0 | 0 | 110.2 | H818 A822 F823 R824 | H818-S820 VanDerWaalsContact C-N 3.29Å; H818-S820 PolarHBondContact O-N 3.48Å; S820-A822 PolarHBondContact O-N 3.09Å; S820-F823 PolarHBondContact O-N 3.29Å; S820-F823 VanDerWaalsContact O-N 3.16Å; S820-F823 WeakPolarHBondContact OG-CB 3.18Å; S820-F823 PolarHBondContact OG-N 3.5Å; S820-R824 PolarHBondContact O-N 3.01Å |
| 821 | K | 90.7 | Very high | 89.4 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 30% | 0.3 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.8 | -38.6 | -178.7 | 176.8 | 165.3 | 178.3 | 155.1 | 0 | 111.7 | C819 I825 S841 E842 V844 | C819-K821 PolarHBondContact O-N 3.18Å; K821-I825 HydrophobicContact CG-CD1 3.8Å; K821-I825 WeakPolarHBondContact O-CD1 3.45Å; K821-I825 VanDerWaalsContact O-CG1 3.24Å; K821-I825 WeakPolarHBondContact O-CG1 3.47Å; K821-I825 PolarHBondContact O-N 3.27Å; K821-S841 VanDerWaalsContact CE-O 3.27Å; K821-S841 WeakPolarHBondContact CE-O 3.33Å; K821-E842 PolarHBondContact NZ-O 2.66Å; K821-V844 WeakPolarHBondContact CD-O 3.45Å; K821-V844 WeakPolarHBondContact CE-O 3.1Å; K821-V844 HydrophobicContact CG-CB 4.29Å; K821-V844 HydrophobicContact CG-CG1 4.06Å; K821-V844 PolarHBondContact NZ-O 2.91Å |
| 822 | A | 89.9 | Confident | 87.6 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S820 I825 Q826 | S820-A822 PolarHBondContact O-N 3.09Å; A822-I825 PolarHBondContact O-N 2.83Å; A822-Q826 WeakPolarHBondContact O-CG 3.4Å; A822-Q826 PolarHBondContact O-N 3.23Å |
| 823 | F | 90.4 | Very high | 86.1 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 178.1 | -174.1 | -87.8 | 0 | 0 | 0 | 111.1 | H818 S820 I825 Q826 E827 | H818-F823 HydrophobicContact CB-CD1 4.19Å; H818-F823 HydrophobicContact CB-CE1 3.97Å; H818-F823 AromaticContact CG-CE1 3.85Å; H818-F823 WeakPolarHBondContact O-CD1 3.34Å; S820-F823 PolarHBondContact O-N 3.29Å; S820-F823 VanDerWaalsContact O-N 3.16Å; S820-F823 WeakPolarHBondContact OG-CB 3.18Å; S820-F823 PolarHBondContact OG-N 3.5Å; F823-I825 VanDerWaalsContact C-N 3.35Å; F823-I825 PolarHBondContact O-N 2.99Å; F823-Q826 WeakPolarHBondContact O-CA 3.38Å; F823-Q826 WeakPolarHBondContact O-CB 3.22Å; F823-Q826 PolarHBondContact O-N 2.84Å; F823-E827 HydrophobicContact CD1-CG 3.75Å; F823-E827 HydrophobicContact CE1-CG 3.36Å; F823-E827 HydrophobicContact CZ-CG 3.95Å; F823-E827 PolarHBondContact O-N 3.26Å |
| 824 | R | 91.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 178 | -74.6 | -172.9 | -74.2 | 136.5 | -3.9 | 113.3 | L767 G768 C793 G797 C819 S820 Q826 E827 I828 V844 L845 | L767-R824 WeakPolarHBondContact O-CD 3.16Å; L767-R824 PolarHBondContact O-NH1 3.36Å; L767-R824 VanDerWaalsContact O-NH1 3.09Å; G768-R824 PolarHBondContact O-NH1 2.8Å; C793-R824 HydrophobicContact CB-CG 3.59Å; G797-R824 PolarHBondContact O-NH1 3.41Å; C819-R824 PolarHBondContact O-NE 3.09Å; C819-R824 PolarHBondContact O-NH2 3.35Å; S820-R824 PolarHBondContact O-N 3.01Å; R824-Q826 VanDerWaalsContact C-N 3.27Å; R824-Q826 PolarHBondContact O-N 2.95Å; R824-E827 PolarHBondContact O-N 2.94Å; R824-I828 WeakPolarHBondContact O-CB 3.04Å; R824-I828 VanDerWaalsContact O-CD1 3.31Å; R824-I828 WeakPolarHBondContact O-CD1 3.36Å; R824-I828 WeakPolarHBondContact O-CG1 3.33Å; R824-I828 PolarHBondContact O-N 3.48Å; R824-V844 HydrophobicContact CB-CG1 4.19Å; R824-L845 PolarHBondContact NH1-O 3.28Å; R824-L845 PolarHBondContact NH2-O 3.29Å |
| 825 | I | 88.9 | Confident | 83.1 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 173.8 | -72.5 | 162.8 | 0 | 0 | 0 | 110.8 | K821 A822 F823 Q829 W839 V844 | K821-I825 HydrophobicContact CG-CD1 3.8Å; K821-I825 WeakPolarHBondContact O-CD1 3.45Å; K821-I825 VanDerWaalsContact O-CG1 3.24Å; K821-I825 WeakPolarHBondContact O-CG1 3.47Å; K821-I825 PolarHBondContact O-N 3.27Å; A822-I825 PolarHBondContact O-N 2.83Å; F823-I825 VanDerWaalsContact C-N 3.35Å; F823-I825 PolarHBondContact O-N 2.99Å; I825-Q829 WeakPolarHBondContact O-CB 3.11Å; I825-Q829 WeakPolarHBondContact O-CG 3.31Å; I825-Q829 PolarHBondContact O-N 2.84Å; I825-W839 HydrophobicContact CG2-CH2 4.26Å; I825-V844 HydrophobicContact CG1-CB 4.25Å; I825-V844 HydrophobicContact CG1-CG1 4.48Å; I825-V844 HydrophobicContact CG1-CG2 3.85Å |
| 826 | Q | 87.3 | Confident | 81.5 | Confident | 124 Ų | 124 | 61.6 Ų | 61.6 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.4 | -45.7 | 177.9 | -71.9 | 177.1 | -10.2 | 0 | 0 | 112.1 | A822 F823 R824 Q829 A830 | A822-Q826 WeakPolarHBondContact O-CG 3.4Å; A822-Q826 PolarHBondContact O-N 3.23Å; F823-Q826 WeakPolarHBondContact O-CA 3.38Å; F823-Q826 WeakPolarHBondContact O-CB 3.22Å; F823-Q826 PolarHBondContact O-N 2.84Å; R824-Q826 VanDerWaalsContact C-N 3.27Å; R824-Q826 PolarHBondContact O-N 2.95Å; Q826-Q829 PolarHBondContact O-N 3.06Å; Q826-A830 VanDerWaalsContact O-CB 3.28Å; Q826-A830 WeakPolarHBondContact O-CB 3.39Å; Q826-A830 PolarHBondContact O-N 3.48Å |
| 827 | E | 84.5 | Confident | 79.9 | Confident | 60 Ų | 60 | 65 Ų | 65 | 28% | 0.28 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 177.1 | -73.1 | -59.9 | 119.4 | 0 | 0 | 111.7 | F823 R824 Q829 A830 A831 H968 | F823-E827 HydrophobicContact CD1-CG 3.75Å; F823-E827 HydrophobicContact CE1-CG 3.36Å; F823-E827 HydrophobicContact CZ-CG 3.95Å; F823-E827 PolarHBondContact O-N 3.26Å; R824-E827 PolarHBondContact O-N 2.94Å; E827-Q829 VanDerWaalsContact C-N 3.33Å; E827-Q829 PolarHBondContact O-N 3.18Å; E827-A830 PolarHBondContact O-N 2.9Å; E827-A830 VanDerWaalsContact O-N 3.16Å; E827-A831 PolarHBondContact O-N 3.43Å; E827-H968 IonicContact OE2-ND1 2.7Å |
| 828 | I | 83.5 | Confident | 78.2 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.6 | -48.9 | 175.1 | -71 | 163.4 | 0 | 0 | 0 | 110.4 | F747 L767 C769 R824 A830 A831 L835 W839 V844 | F747-I828 HydrophobicContact CE1-CG2 4.06Å; L767-I828 HydrophobicContact CD2-CD1 3.77Å; L767-I828 HydrophobicContact CD2-CG1 3.24Å; L767-I828 HydrophobicContact CG-CD1 4.07Å; L767-I828 HydrophobicContact CG-CG1 3.95Å; C769-I828 VanDerWaalsContact SG-CD1 3.58Å; R824-I828 WeakPolarHBondContact O-CB 3.04Å; R824-I828 VanDerWaalsContact O-CD1 3.31Å; R824-I828 WeakPolarHBondContact O-CD1 3.36Å; R824-I828 WeakPolarHBondContact O-CG1 3.33Å; R824-I828 PolarHBondContact O-N 3.48Å; I828-A830 VanDerWaalsContact C-N 3.27Å; I828-A830 PolarHBondContact O-N 3.38Å; I828-A831 WeakPolarHBondContact O-CB 3.48Å; I828-A831 PolarHBondContact O-N 2.78Å; I828-L835 HydrophobicContact CG2-CD1 4.26Å; I828-L835 HydrophobicContact CG2-CD2 3.17Å; I828-L835 HydrophobicContact CG2-CG 4.35Å; I828-L835 WeakPolarHBondContact O-CD2 3.44Å; I828-W839 HydrophobicContact CB-CZ2 4.04Å; I828-W839 HydrophobicContact CD1-CZ2 3.92Å; I828-W839 HydrophobicContact CG2-CD2 4.21Å; I828-W839 HydrophobicContact CG2-CH2 4.07Å; I828-W839 HydrophobicContact CG2-CZ2 3.47Å; I828-W839 VanDerWaalsContact CG2-CZ2 3.47Å; I828-V844 HydrophobicContact CD1-CG2 3.92Å |
| 829 | Q | 82.8 | Confident | 77 | Confident | 117 Ų | 117 | 62.5 Ų | 62.5 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.6 | -22.9 | -179.5 | -72.3 | 174.7 | -21.2 | 0 | 0 | 114 | I825 Q826 E827 L835 W839 | I825-Q829 WeakPolarHBondContact O-CB 3.11Å; I825-Q829 WeakPolarHBondContact O-CG 3.31Å; I825-Q829 PolarHBondContact O-N 2.84Å; Q826-Q829 PolarHBondContact O-N 3.06Å; E827-Q829 VanDerWaalsContact C-N 3.33Å; E827-Q829 PolarHBondContact O-N 3.18Å; Q829-L835 HydrophobicContact CG-CD1 4.29Å; Q829-W839 HydrophobicContact CG-CH2 4.06Å; Q829-W839 HydrophobicContact CG-CZ3 4.29Å |
| 830 | A | 76.6 | Confident | 76 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 65% | 0.645 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -89.5 | -12.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q826 E827 I828 | Q826-A830 VanDerWaalsContact O-CB 3.28Å; Q826-A830 WeakPolarHBondContact O-CB 3.39Å; Q826-A830 PolarHBondContact O-N 3.48Å; E827-A830 PolarHBondContact O-N 2.9Å; E827-A830 VanDerWaalsContact O-N 3.16Å; I828-A830 VanDerWaalsContact C-N 3.27Å; I828-A830 PolarHBondContact O-N 3.38Å |
| 831 | A | 70.4 | Confident | 75.2 | Confident | 42 Ų | 42 | 69 Ų | 69 | 35% | 0.347 | 38% | 0.384 | S | S | . | . | trans | -60.3 | 139.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E827 I828 T833 | E827-A831 PolarHBondContact O-N 3.43Å; I828-A831 WeakPolarHBondContact O-CB 3.48Å; I828-A831 PolarHBondContact O-N 2.78Å; A831-T833 PolarHBondContact O-N 2.7Å | ||
| 832 | P | 60.9 | Low | 74.5 | Confident | 132 Ų | 132 | 72.3 Ų | 72.3 | 86% | 0.857 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -67.7 | -21 | 178 | 27.3 | -33.3 | 0 | 0 | 0 | 112.4 | ||
| 833 | T | 62 | Low | 73.7 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -72.9 | 128.3 | 179.1 | -37.7 | 0 | 0 | 0 | 0 | 109.8 | A831 L835 | A831-T833 PolarHBondContact O-N 2.7Å; T833-L835 PolarHBondContact O-N 2.76Å |
| 834 | P | 59.7 | Low | 73.5 | Confident | 116 Ų | 116 | 69.7 Ų | 69.7 | 75% | 0.753 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 130.4 | 175.3 | -22.5 | 31.8 | 0 | 0 | 0 | 110.6 | ||
| 835 | L | 66 | Low | 73.4 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 136.4 | 174.3 | -63.7 | 177 | 0 | 0 | 0 | 109.7 | F747 I828 Q829 T833 E837 W839 | F747-L835 HydrophobicContact CE1-CD2 4.32Å; I828-L835 HydrophobicContact CG2-CD1 4.26Å; I828-L835 HydrophobicContact CG2-CD2 3.17Å; I828-L835 HydrophobicContact CG2-CG 4.35Å; I828-L835 WeakPolarHBondContact O-CD2 3.44Å; Q829-L835 HydrophobicContact CG-CD1 4.29Å; T833-L835 PolarHBondContact O-N 2.76Å; L835-E837 PolarHBondContact O-N 2.82Å; L835-W839 HydrophobicContact CD1-CD2 4.35Å; L835-W839 HydrophobicContact CD1-CE3 3.78Å; L835-W839 HydrophobicContact CD1-CZ3 3.91Å |
| 836 | P | 61.4 | Low | 73.4 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 23% | 0.227 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -52 | 136.2 | 170.3 | -24 | 32.2 | 0 | 0 | 0 | 109.8 | D746 T838 W839 | D746-P836 HydrophobicContact CB-CG 4.33Å; P836-T838 PolarHBondContact O-N 2.88Å; P836-W839 HydrophobicContact CB-CB 4.5Å; P836-W839 VanDerWaalsContact O-CB 3.25Å; P836-W839 WeakPolarHBondContact O-CB 3.42Å; P836-W839 PolarHBondContact O-N 3.44Å |
| 837 | E | 59.6 | Low | 73.6 | Confident | 178 Ų | 178 | 70.7 Ų | 70.7 | 83% | 0.832 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.6 | -179 | -69.2 | -164.2 | 155 | 0 | 0 | 113 | L835 R840 | L835-E837 PolarHBondContact O-N 2.82Å; E837-R840 PolarHBondContact O-NH1 2.79Å; E837-R840 PolarHBondContact O-NH2 2.82Å |
| 838 | T | 55.1 | Low | 74 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 34% | 0.337 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14 | 178.2 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | P836 R840 Q843 | P836-T838 PolarHBondContact O-N 2.88Å; T838-R840 PolarHBondContact O-N 2.88Å; T838-Q843 PolarHBondContact O-NE2 2.95Å; T838-Q843 PolarHBondContact O-OE1 2.77Å |
| 839 | W | 68.9 | Low | 74.2 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 8% | 0.076 | 42% | 0.421 | C | S | . | . | trans | -68.1 | 132.1 | -178.1 | -176.6 | 88.5 | 0 | 0 | 0 | 111.9 | F747 I825 I828 Q829 L835 P836 V844 | F747-W839 AromaticContact CZ-CD1 3.82Å; I825-W839 HydrophobicContact CG2-CH2 4.26Å; I828-W839 HydrophobicContact CB-CZ2 4.04Å; I828-W839 HydrophobicContact CD1-CZ2 3.92Å; I828-W839 HydrophobicContact CG2-CD2 4.21Å; I828-W839 HydrophobicContact CG2-CH2 4.07Å; I828-W839 HydrophobicContact CG2-CZ2 3.47Å; I828-W839 VanDerWaalsContact CG2-CZ2 3.47Å; Q829-W839 HydrophobicContact CG-CH2 4.06Å; Q829-W839 HydrophobicContact CG-CZ3 4.29Å; L835-W839 HydrophobicContact CD1-CD2 4.35Å; L835-W839 HydrophobicContact CD1-CE3 3.78Å; L835-W839 HydrophobicContact CD1-CZ3 3.91Å; P836-W839 HydrophobicContact CB-CB 4.5Å; P836-W839 VanDerWaalsContact O-CB 3.25Å; P836-W839 WeakPolarHBondContact O-CB 3.42Å; P836-W839 PolarHBondContact O-N 3.44Å; W839-V844 HydrophobicContact CZ2-CG2 3.96Å | ||
| 840 | R | 73 | Confident | 74.5 | Confident | 133 Ų | 133 | 73 Ų | 73 | 50% | 0.502 | 42% | 0.417 | S | S | . | . | trans | -134.4 | 137.3 | 177.7 | -61.7 | -67.9 | 178.1 | -87.4 | -4.7 | 108.8 | E837 T838 E842 Q843 | E837-R840 PolarHBondContact O-NH1 2.79Å; E837-R840 PolarHBondContact O-NH2 2.82Å; T838-R840 PolarHBondContact O-N 2.88Å; R840-E842 WeakPolarHBondContact CB-OE2 3.2Å; R840-E842 PolarHBondContact O-N 3.1Å; R840-Q843 HydrophobicContact CB-CG 4.13Å; R840-Q843 WeakPolarHBondContact O-CB 3.41Å; R840-Q843 PolarHBondContact O-N 2.94Å; R840-Q843 PolarHBondContact O-OE1 3.02Å | ||
| 841 | S | 77 | Confident | 75.2 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -61 | -22.9 | -177.4 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | K821 Q843 V844 | K821-S841 VanDerWaalsContact CE-O 3.27Å; K821-S841 WeakPolarHBondContact CE-O 3.33Å; S841-Q843 VanDerWaalsContact C-N 3.29Å; S841-Q843 PolarHBondContact O-N 3Å; S841-V844 PolarHBondContact O-N 2.78Å |
| 842 | E | 74.8 | Confident | 76.4 | Confident | 138 Ų | 138 | 72 Ų | 72 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -65.5 | -30.9 | 175.1 | -63.2 | 74.8 | -165.7 | 0 | 0 | 112.3 | K821 R840 V844 | K821-E842 PolarHBondContact NZ-O 2.66Å; R840-E842 WeakPolarHBondContact CB-OE2 3.2Å; R840-E842 PolarHBondContact O-N 3.1Å; E842-V844 VanDerWaalsContact C-N 3.29Å; E842-V844 PolarHBondContact O-N 2.89Å |
| 843 | Q | 73.9 | Confident | 78.1 | Confident | 56 Ų | 56 | 69 Ų | 69 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -75.2 | -15.9 | -178.5 | -65.2 | 162.5 | -28.3 | 0 | 0 | 113.3 | L728 Y730 T838 R840 S841 L845 | L728-Q843 HydrophobicContact CD1-CG 4.31Å; Y730-Q843 PolarHBondContact OH-OE1 2.87Å; T838-Q843 PolarHBondContact O-NE2 2.95Å; T838-Q843 PolarHBondContact O-OE1 2.77Å; R840-Q843 HydrophobicContact CB-CG 4.13Å; R840-Q843 WeakPolarHBondContact O-CB 3.41Å; R840-Q843 PolarHBondContact O-N 2.94Å; R840-Q843 PolarHBondContact O-OE1 3.02Å; S841-Q843 VanDerWaalsContact C-N 3.29Å; S841-Q843 PolarHBondContact O-N 3Å; Q843-L845 PolarHBondContact O-N 2.87Å |
| 844 | V | 85.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.012 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 123.5 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | K821 R824 I825 I828 W839 S841 E842 | K821-V844 WeakPolarHBondContact CD-O 3.45Å; K821-V844 WeakPolarHBondContact CE-O 3.1Å; K821-V844 HydrophobicContact CG-CB 4.29Å; K821-V844 HydrophobicContact CG-CG1 4.06Å; K821-V844 PolarHBondContact NZ-O 2.91Å; R824-V844 HydrophobicContact CB-CG1 4.19Å; I825-V844 HydrophobicContact CG1-CB 4.25Å; I825-V844 HydrophobicContact CG1-CG1 4.48Å; I825-V844 HydrophobicContact CG1-CG2 3.85Å; I828-V844 HydrophobicContact CD1-CG2 3.92Å; W839-V844 HydrophobicContact CZ2-CG2 3.96Å; S841-V844 PolarHBondContact O-N 2.78Å; E842-V844 VanDerWaalsContact C-N 3.29Å; E842-V844 PolarHBondContact O-N 2.89Å |
| 845 | L | 89 | Confident | 81.5 | Confident | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 151.2 | -177.4 | -69.1 | 169.6 | 0 | 0 | 0 | 111.5 | G768 Q801 R824 Q843 | G768-L845 WeakPolarHBondContact O-CB 3.44Å; G768-L845 WeakPolarHBondContact O-CG 3.45Å; G768-L845 PolarHBondContact O-N 2.98Å; Q801-L845 HydrophobicContact CG-CD1 3.41Å; Q801-L845 VanDerWaalsContact CG-CD1 3.41Å; Q801-L845 HydrophobicContact CG-CD2 4.18Å; Q801-L845 HydrophobicContact CG-CG 4.43Å; R824-L845 PolarHBondContact NH1-O 3.28Å; R824-L845 PolarHBondContact NH2-O 3.29Å; Q843-L845 PolarHBondContact O-N 2.87Å |
| 846 | P | 89.6 | Confident | 82.9 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -61 | 157.1 | 170.2 | 28.8 | -34.7 | 0 | 0 | 0 | 110.6 | S800 | S800-P846 WeakPolarHBondContact CB-O 3.47Å; S800-P846 PolarHBondContact OG-O 3.32Å |
| 847 | Q | 91.7 | Very high | 84.4 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -66 | 145.7 | 171.5 | -175 | 170.5 | 18.3 | 0 | 0 | 110.2 | K816 | K816-Q847 VanDerWaalsContact CA-NE2 3.34Å; K816-Q847 PolarHBondContact O-NE2 2.87Å |
| 848 | R | 92 | Very high | 86 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 136.2 | 175.5 | -176.9 | -178.2 | 177 | 78.6 | 4.9 | 110.5 | S799 F802 E803 V805 S850 G851 | S799-R848 PolarHBondContact O-NH1 2.81Å; F802-R848 PolarHBondContact O-NH1 2.61Å; E803-R848 PolarHBondContact O-NH2 2.75Å; V805-R848 VanDerWaalsContact CG2-NH1 3.34Å; R848-S850 PolarHBondContact NE-O 2.97Å; R848-G851 PolarHBondContact NH2-O 2.9Å; R848-G851 VanDerWaalsContact NH2-O 3.1Å |
| 849 | T | 89 | Confident | 88 | Confident | 141 Ų | 141 | 66.6 Ų | 66.6 | 87% | 0.865 | 35% | 0.353 | S | S | * | . | trans | -109.3 | -22.1 | 176.2 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 850 | S | 88.7 | Confident | 89.3 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 47% | 0.469 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -75.1 | 142.8 | 177.5 | -59 | 0 | 0 | 0 | 0 | 110.6 | R848 | R848-S850 PolarHBondContact NE-O 2.97Š|
| 851 | G | 90.4 | Very high | 90.4 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 159.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R848 | R848-G851 PolarHBondContact NH2-O 2.9Å; R848-G851 VanDerWaalsContact NH2-O 3.1Å |
| 852 | F | 96.2 | Very high | 91.4 | Very high | 32 Ų | 32 | 67.2 Ų | 67.2 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 147.7 | 171.4 | -67.6 | -79.3 | 0 | 0 | 0 | 110.5 | L788 V805 L807 E812 E815 | L788-F852 HydrophobicContact CD1-CD1 4.46Å; L788-F852 HydrophobicContact CD1-CE1 3.76Å; L788-F852 HydrophobicContact CD1-CZ 4.44Å; V805-F852 HydrophobicContact CB-CD1 3.98Å; V805-F852 HydrophobicContact CB-CE1 4.12Å; V805-F852 HydrophobicContact CG1-CD1 3.91Å; V805-F852 HydrophobicContact CG1-CE1 3.83Å; V805-F852 WeakPolarHBondContact O-CA 3.32Å; L807-F852 HydrophobicContact CB-CB 3.98Å; L807-F852 HydrophobicContact CB-CD1 3.62Å; L807-F852 HydrophobicContact CB-CD2 4.36Å; L807-F852 HydrophobicContact CB-CE1 4.18Å; L807-F852 HydrophobicContact CB-CG 3.73Å; L807-F852 HydrophobicContact CD2-CD1 4.27Å; L807-F852 HydrophobicContact CD2-CD2 3.93Å; L807-F852 HydrophobicContact CD2-CE1 4.21Å; L807-F852 HydrophobicContact CD2-CE2 3.86Å; L807-F852 HydrophobicContact CD2-CG 4.13Å; L807-F852 HydrophobicContact CD2-CZ 4.01Å; E812-F852 HydrophobicContact CG-CD2 4.28Å; E815-F852 HydrophobicContact CB-CE2 4.47Å; E815-F852 HydrophobicContact CG-CE2 3.93Å; E815-F852 HydrophobicContact CG-CZ 3.7Å |
| 853 | K | 96.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 30% | 0.3 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137.4 | 160.9 | -71.7 | -172 | 172.5 | -179.6 | 0 | 108.1 | E804 V805 Y806 L807 L855 | E804-K853 HydrophobicContact CB-CD 4.49Å; E804-K853 WeakPolarHBondContact OE1-CE 3.28Å; E804-K853 IonicContact OE1-NZ 2.66Å; E804-K853 PolarHBondContact OE1-NZ 3.17Å; E804-K853 WeakPolarHBondContact OE2-CE 3.4Å; E804-K853 IonicContact OE2-NZ 2.62Å; E804-K853 PolarHBondContact OE2-NZ 2.89Å; V805-K853 PolarHBondContact O-N 2.94Å; Y806-K853 WeakPolarHBondContact CA-O 3.47Å; Y806-K853 HydrophobicContact CD1-CB 3.62Å; Y806-K853 HydrophobicContact CD2-CB 4.08Å; Y806-K853 HydrophobicContact CD2-CD 4.25Å; Y806-K853 HydrophobicContact CE1-CB 3.65Å; Y806-K853 HydrophobicContact CE1-CD 4.04Å; Y806-K853 HydrophobicContact CE2-CB 4.08Å; Y806-K853 HydrophobicContact CE2-CD 3.53Å; Y806-K853 HydrophobicContact CE2-CG 4.41Å; Y806-K853 HydrophobicContact CG-CB 3.84Å; Y806-K853 VanDerWaalsContact CZ-CD 3.41Å; Y806-K853 WeakPolarHBondContact OH-CD 3.28Å; L807-K853 PolarHBondContact N-O 3.3Å; L807-K853 VanDerWaalsContact N-O 3.07Å; K853-L855 PolarHBondContact O-N 3.32Å |
| 854 | Q | 95.7 | Very high | 93.4 | Very high | 120 Ų | 120 | 58.2 Ų | 58.2 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 120.7 | -178.6 | -63 | -164 | -23.9 | 0 | 0 | 109.9 | P809 M859 | P809-Q854 HydrophobicContact CG-CB 4.02Å; P809-Q854 HydrophobicContact CG-CG 3.91Å; Q854-M859 WeakPolarHBondContact O-CE 3.21Å |
| 855 | L | 97.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 125.3 | 171.3 | -166.1 | 65.6 | 0 | 0 | 0 | 109.3 | I787 Y806 L807 K853 M859 F861 L870 M881 | I787-L855 HydrophobicContact CG2-CD1 3.85Å; I787-L855 HydrophobicContact CG2-CD2 3.64Å; I787-L855 HydrophobicContact CG2-CG 4.41Å; Y806-L855 HydrophobicContact CD1-CD1 4.06Å; Y806-L855 HydrophobicContact CG-CD1 4.3Å; L807-L855 VanDerWaalsContact C-CB 3.5Å; L807-L855 PolarHBondContact O-N 2.8Å; K853-L855 PolarHBondContact O-N 3.32Å; L855-M859 HydrophobicContact CD1-SD 4.24Å; L855-F861 HydrophobicContact CD1-CE2 3.92Å; L855-F861 HydrophobicContact CD1-CZ 3.96Å; L855-L870 HydrophobicContact CD1-CD2 3.67Å; L855-L870 HydrophobicContact CD2-CD2 3.86Å; L855-L870 HydrophobicContact CG-CD2 3.95Å; L855-M881 HydrophobicContact CD2-CB 4.34Å; L855-M881 HydrophobicContact CD2-CE 4.02Å; L855-M881 HydrophobicContact CD2-CG 4.06Å; L855-M881 HydrophobicContact CG-CE 4.02Å |
| 856 | T | 95.4 | Very high | 94.2 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | trans | -129.1 | 156.6 | 176.9 | 78.2 | 0 | 0 | 0 | 0 | 110.2 | E858 M859 | T856-E858 WeakPolarHBondContact CB-OE2 3.4Å; T856-E858 PolarHBondContact O-N 3.23Å; T856-E858 PolarHBondContact OG1-OE2 3.16Å; T856-M859 WeakPolarHBondContact O-CB 3.49Å; T856-M859 PolarHBondContact O-N 3.04Å | ||
| 857 | E | 93.5 | Very high | 94.6 | Very high | 67 Ų | 67 | 55.8 Ų | 55.8 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.6 | -175 | 64 | 176.2 | -179.6 | 0 | 0 | 114.1 | M859 L872 K920 | E857-M859 VanDerWaalsContact C-N 3.27Å; E857-L872 HydrophobicContact CB-CB 4.43Å; E857-L872 PolarHBondContact OE2-N 2.8Å; E857-K920 IonicContact OE1-NZ 2.68Å; E857-K920 PolarHBondContact OE1-NZ 2.84Å; E857-K920 IonicContact OE2-NZ 2.76Å; E857-K920 PolarHBondContact OE2-NZ 3.19Å |
| 858 | E | 91.9 | Very high | 94.9 | Very high | 147 Ų | 147 | 53 Ų | 53 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.3 | 174 | -52 | 82.2 | -179.6 | 0 | 0 | 113 | T856 | T856-E858 WeakPolarHBondContact CB-OE2 3.4Å; T856-E858 PolarHBondContact O-N 3.23Å; T856-E858 PolarHBondContact OG1-OE2 3.16Å |
| 859 | M | 96.9 | Very high | 95.2 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 30% | 0.3 | 31% | 0.311 | S | S | . | . | trans | -73.9 | 146.5 | 178.3 | -64.6 | -171.1 | 172.9 | 0 | 0 | 111.2 | Y806 Q854 L855 T856 E857 F861 L870 | Y806-M859 HydrophobicContact CD1-SD 4.19Å; Y806-M859 HydrophobicContact CE1-CE 4.37Å; Y806-M859 HydrophobicContact CE1-SD 4Å; Q854-M859 WeakPolarHBondContact O-CE 3.21Å; L855-M859 HydrophobicContact CD1-SD 4.24Å; T856-M859 WeakPolarHBondContact O-CB 3.49Å; T856-M859 PolarHBondContact O-N 3.04Å; E857-M859 VanDerWaalsContact C-N 3.27Å; M859-F861 HydrophobicContact CB-CE2 4.34Å; M859-F861 HydrophobicContact SD-CZ 4.5Å; M859-L870 HydrophobicContact CB-CD1 4.12Å; M859-L870 WeakPolarHBondContact O-CD1 3.41Å | ||
| 860 | V | 96.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 128.9 | 168.9 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | I868 E869 | V860-I868 WeakPolarHBondContact CA-O 3.22Å; V860-E869 HydrophobicContact CG1-CG 4.24Å; V860-E869 HydrophobicContact CG2-CG 4.27Å |
| 861 | F | 97.4 | Very high | 96 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 106.6 | 177.2 | -62.2 | -95.2 | 0 | 0 | 0 | 109.5 | T785 I787 Y806 L855 M859 L863 T867 I868 L870 | T785-F861 HydrophobicContact CG2-CE1 4.07Å; I787-F861 HydrophobicContact CD1-CD1 4.04Å; I787-F861 HydrophobicContact CD1-CD2 3.62Å; I787-F861 HydrophobicContact CD1-CE1 3.98Å; I787-F861 HydrophobicContact CD1-CE2 3.56Å; I787-F861 HydrophobicContact CD1-CG 3.88Å; I787-F861 HydrophobicContact CD1-CZ 3.75Å; I787-F861 HydrophobicContact CG1-CE1 4.35Å; I787-F861 HydrophobicContact CG1-CE2 4.26Å; I787-F861 HydrophobicContact CG1-CZ 4.06Å; Y806-F861 HydrophobicContact CD1-CZ 4.22Å; Y806-F861 HydrophobicContact CE1-CZ 4.29Å; Y806-F861 HydrophobicContact CE2-CE1 4.28Å; Y806-F861 HydrophobicContact CG-CZ 4.33Å; L855-F861 HydrophobicContact CD1-CE2 3.92Å; L855-F861 HydrophobicContact CD1-CZ 3.96Å; M859-F861 HydrophobicContact CB-CE2 4.34Å; M859-F861 HydrophobicContact SD-CZ 4.5Å; F861-L863 HydrophobicContact CB-CD2 4.25Å; F861-T867 CarbonylContact O-C 3.51Å; F861-T867 VanDerWaalsContact O-CA 3.32Å; F861-T867 WeakPolarHBondContact O-CA 3.22Å; F861-I868 HydrophobicContact CB-CB 4.24Å; F861-I868 PolarHBondContact N-O 2.9Å; F861-I868 PolarHBondContact O-N 3.45Å; F861-L870 HydrophobicContact CD2-CD1 3.82Å; F861-L870 HydrophobicContact CE2-CD1 3.74Å; F861-L870 HydrophobicContact CE2-CD2 4.31Å |
| 862 | D | 97.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 110.1 | 170 | 173.8 | 11.5 | 0 | 0 | 0 | 109.7 | K758 G864 T867 | K758-D862 IonicContact NZ-OD2 2.74Å; D862-G864 PolarHBondContact OD1-N 3.2Å; D862-T867 HydrophobicContact CB-CG2 4.34Å |
| 863 | L | 97.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | trans | -95.1 | 0.1 | -178.1 | -53.1 | -176.6 | 0 | 0 | 0 | 112.6 | I754 G756 E757 K758 S759 A761 F861 V866 I868 | I754-L863 HydrophobicContact CB-CD1 4.25Å; I754-L863 HydrophobicContact CG2-CD1 3.9Å; G756-L863 CarbonylContact C-O 3.11Å; G756-L863 VanDerWaalsContact CA-O 3.26Å; G756-L863 WeakPolarHBondContact CA-O 3.34Å; E757-L863 PolarHBondContact N-O 2.86Å; K758-L863 PolarHBondContact N-O 2.7Å; S759-L863 PolarHBondContact N-O 2.9Å; S759-L863 VanDerWaalsContact N-O 3.16Å; S759-L863 WeakPolarHBondContact O-CB 3.1Å; S759-L863 WeakPolarHBondContact OG-CD2 3.08Å; A761-L863 HydrophobicContact CB-CD1 3.79Å; A761-L863 HydrophobicContact CB-CD2 4.32Å; F861-L863 HydrophobicContact CB-CD2 4.25Å; L863-V866 HydrophobicContact CB-CG1 3.86Å; L863-V866 HydrophobicContact CD1-CG1 4.24Å; L863-V866 PolarHBondContact N-O 3.34Å; L863-I868 HydrophobicContact CD1-CD1 3.8Å; L863-I868 HydrophobicContact CD1-CG1 4.23Å | ||
| 864 | G | 93.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 84 | 104.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E757 D862 V866 | E757-G864 WeakPolarHBondContact CB-O 3.29Å; E757-G864 WeakPolarHBondContact CG-O 3.45Å; E757-G864 PolarHBondContact N-O 3.45Å; D862-G864 PolarHBondContact OD1-N 3.2Å; G864-V866 PolarHBondContact O-N 3.04Å |
| 865 | G | 94.3 | Very high | 96.4 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 42% | 0.423 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 77.9 | -5.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 866 | V | 96.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -149.6 | 141.5 | 174.3 | 65.8 | 0 | 0 | 0 | 0 | 109.6 | I754 L863 G864 I885 E888 | I754-V866 HydrophobicContact CG2-CG1 4.12Å; I754-V866 HydrophobicContact CG2-CG2 4.27Å; L863-V866 HydrophobicContact CB-CG1 3.86Å; L863-V866 HydrophobicContact CD1-CG1 4.24Å; L863-V866 PolarHBondContact N-O 3.34Å; G864-V866 PolarHBondContact O-N 3.04Å; V866-I885 HydrophobicContact CG2-CG2 3.27Å; V866-E888 HydrophobicContact CG2-CG 4.36Å | ||
| 867 | T | 97.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 32.5 Ų | 32.5 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151 | 179.7 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | F861 D862 P886 E887 | F861-T867 CarbonylContact O-C 3.51Å; F861-T867 VanDerWaalsContact O-CA 3.32Å; F861-T867 WeakPolarHBondContact O-CA 3.22Å; D862-T867 HydrophobicContact CB-CG2 4.34Å; T867-P886 WeakPolarHBondContact O-CD 3.26Å; T867-E887 PolarHBondContact N-OE2 3.36Å; T867-E887 PolarHBondContact OG1-OE1 2.82Å; T867-E887 PolarHBondContact OG1-OE2 3.22Å |
| 868 | I | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.9 | 172.8 | -52.3 | 174.5 | 0 | 0 | 0 | 108.5 | I754 A761 L763 V860 F861 L863 F883 L884 I885 | I754-I868 HydrophobicContact CB-CD1 4.42Å; I754-I868 HydrophobicContact CD1-CD1 3.69Å; A761-I868 HydrophobicContact CB-CD1 3.45Å; A761-I868 VanDerWaalsContact CB-CD1 3.45Å; L763-I868 HydrophobicContact CD2-CD1 4.44Å; V860-I868 WeakPolarHBondContact CA-O 3.22Å; F861-I868 HydrophobicContact CB-CB 4.24Å; F861-I868 PolarHBondContact N-O 2.9Å; F861-I868 PolarHBondContact O-N 3.45Å; L863-I868 HydrophobicContact CD1-CD1 3.8Å; L863-I868 HydrophobicContact CD1-CG1 4.23Å; I868-F883 HydrophobicContact CG2-CB 3.99Å; I868-F883 HydrophobicContact CG2-CD1 3.99Å; I868-F883 HydrophobicContact CG2-CG 4.39Å; I868-L884 WeakPolarHBondContact CA-O 3.16Å; I868-I885 HydrophobicContact CG1-CG1 4.35Å |
| 869 | E | 98 | Very high | 96.9 | Very high | 44 Ų | 44 | 27.6 Ų | 27.6 | 21% | 0.206 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 151.1 | 171.3 | -64.7 | 179.6 | -157.6 | 0 | 0 | 110.2 | V860 F883 L884 W924 R927 | V860-E869 HydrophobicContact CG1-CG 4.24Å; V860-E869 HydrophobicContact CG2-CG 4.27Å; E869-F883 CarbonylContact O-C 3.42Å; E869-F883 WeakPolarHBondContact O-CA 3.47Å; E869-L884 HydrophobicContact CB-CB 4.32Å; E869-L884 PolarHBondContact N-O 2.7Å; E869-L884 PolarHBondContact O-N 3.31Å; E869-W924 HydrophobicContact CB-CZ2 4.43Å; E869-R927 VanDerWaalsContact CD-NH2 3.27Å; E869-R927 IonicContact OE1-CZ 2.61Å; E869-R927 IonicContact OE1-NH1 3.49Å; E869-R927 IonicContact OE1-NH2 2.79Å; E869-R927 PolarHBondContact OE1-NH2 2.9Å; E869-R927 IonicContact OE2-CZ 3.81Å; E869-R927 IonicContact OE2-NH1 3.54Å; E869-R927 PolarHBondContact OE2-NH1 3.14Å; E869-R927 IonicContact OE2-NH2 3.22Å; E869-R927 PolarHBondContact OE2-NH2 2.83Å |
| 870 | L | 97.6 | Very high | 96.9 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 6% | 0.058 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 151.4 | -173.8 | -56.5 | 101 | 0 | 0 | 0 | 111.5 | I787 L855 M859 F861 M881 V882 F883 | I787-L870 HydrophobicContact CG2-CD2 4.33Å; L855-L870 HydrophobicContact CD1-CD2 3.67Å; L855-L870 HydrophobicContact CD2-CD2 3.86Å; L855-L870 HydrophobicContact CG-CD2 3.95Å; M859-L870 HydrophobicContact CB-CD1 4.12Å; M859-L870 WeakPolarHBondContact O-CD1 3.41Å; F861-L870 HydrophobicContact CD2-CD1 3.82Å; F861-L870 HydrophobicContact CE2-CD1 3.74Å; F861-L870 HydrophobicContact CE2-CD2 4.31Å; L870-M881 HydrophobicContact CB-CG 3.98Å; L870-M881 HydrophobicContact CB-SD 3.84Å; L870-M881 HydrophobicContact CD2-CG 3.7Å; L870-M881 HydrophobicContact CD2-SD 4.36Å; L870-M881 HydrophobicContact CG-CG 4.42Å; L870-V882 WeakPolarHBondContact CA-O 3.36Å; L870-F883 HydrophobicContact CD2-CD1 3.73Å; L870-F883 HydrophobicContact CD2-CE1 3.53Å; L870-F883 HydrophobicContact CG-CD1 4.04Å; L870-F883 HydrophobicContact CG-CE1 4.35Å |
| 871 | M | 97.2 | Very high | 96.9 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 133.1 | 169 | -173.1 | 173.5 | -65.3 | 0 | 0 | 110.4 | V873 V882 K920 L921 Q923 W924 | M871-V873 HydrophobicContact CB-CG2 4.44Å; M871-V873 HydrophobicContact CG-CG2 4.15Å; M871-V873 PolarHBondContact O-N 3.34Å; M871-V882 HydrophobicContact CB-CG2 3.92Å; M871-V882 PolarHBondContact N-O 2.87Å; M871-V882 VanDerWaalsContact N-O 3.09Å; M871-V882 PolarHBondContact O-N 3.35Å; M871-K920 HydrophobicContact CE-CG 4.37Å; M871-K920 HydrophobicContact CG-CD 4.24Å; M871-K920 HydrophobicContact SD-CB 4.23Å; M871-K920 HydrophobicContact SD-CD 3.96Å; M871-K920 HydrophobicContact SD-CG 3.74Å; M871-L921 HydrophobicContact CB-CD1 4.45Å; M871-L921 VanDerWaalsContact SD-CA 3.58Å; M871-L921 HydrophobicContact SD-CB 4.24Å; M871-L921 HydrophobicContact SD-CD1 3.78Å; M871-Q923 HydrophobicContact CE-CB 4.45Å; M871-W924 HydrophobicContact CB-CH2 3.87Å; M871-W924 HydrophobicContact CB-CZ2 3.68Å; M871-W924 HydrophobicContact CE-CD2 4.45Å; M871-W924 HydrophobicContact CE-CZ2 4.38Å |
| 872 | L | 97.3 | Very high | 96.9 | Very high | 42 Ų | 42 | 19.5 Ų | 19.5 | 22% | 0.22 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.3 | 173.8 | -171.9 | 74.3 | 0 | 0 | 0 | 108.9 | L810 E857 P874 M881 | L810-L872 HydrophobicContact CD1-CD2 4.07Å; E857-L872 HydrophobicContact CB-CB 4.43Å; E857-L872 PolarHBondContact OE2-N 2.8Å; L872-P874 WeakPolarHBondContact O-CD 3.44Å; L872-M881 HydrophobicContact CB-SD 4.32Å; L872-M881 HydrophobicContact CD1-CE 4.11Å; L872-M881 PolarHBondContact N-SD 3.45Å |
| 873 | V | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -122.8 | 73.2 | -178.8 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | M871 G875 M880 V882 A896 A917 L918 L921 | M871-V873 HydrophobicContact CB-CG2 4.44Å; M871-V873 HydrophobicContact CG-CG2 4.15Å; M871-V873 PolarHBondContact O-N 3.34Å; V873-G875 PolarHBondContact O-N 2.85Å; V873-M880 PolarHBondContact N-O 3.43Å; V873-M880 WeakPolarHBondContact O-CB 3.49Å; V873-V882 HydrophobicContact CB-CG1 4.23Å; V873-V882 HydrophobicContact CG2-CB 4.45Å; V873-V882 HydrophobicContact CG2-CG1 4.05Å; V873-V882 HydrophobicContact CG2-CG2 3.53Å; V873-A896 HydrophobicContact CB-CB 4.13Å; V873-A896 HydrophobicContact CG1-CB 4Å; V873-A917 HydrophobicContact CB-CB 4.47Å; V873-A917 HydrophobicContact CG1-CB 3.87Å; V873-L918 HydrophobicContact CG1-CD2 4.12Å; V873-L921 HydrophobicContact CG2-CD1 4.29Å; V873-L921 HydrophobicContact CG2-CD2 4.39Å | ||
| 874 | P | 96.9 | Very high | 97 | Very high | 18 Ų | 18 | 15 Ų | 15 | 12% | 0.117 | 9% | 0.085 | C | C | . | . | trans | -60.1 | 136.4 | -178.4 | 25 | -32.6 | 0 | 0 | 0 | 110.2 | L872 T877 V909 E913 H914 A917 | L872-P874 WeakPolarHBondContact O-CD 3.44Å; P874-T877 WeakPolarHBondContact CA-O 3.4Å; P874-V909 HydrophobicContact CB-CG1 4.09Å; P874-V909 HydrophobicContact CB-CG2 4.21Å; P874-E913 HydrophobicContact CG-CG 4.45Å; P874-H914 WeakPolarHBondContact O-CA 3.42Å; P874-H914 PolarHBondContact O-ND1 3.03Å; P874-A917 HydrophobicContact CG-CB 4.04Å | ||
| 875 | G | 95.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -178.1 | -96.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V873 T877 S908 V909 H914 | V873-G875 PolarHBondContact O-N 2.85Å; G875-T877 VanDerWaalsContact C-N 3.27Å; G875-T877 PolarHBondContact N-O 2.95Å; G875-T877 PolarHBondContact O-N 2.69Å; G875-S908 CarbonylContact O-C 3.53Å; G875-S908 WeakPolarHBondContact O-CA 3.38Å; G875-S908 VanDerWaalsContact O-CB 3.28Å; G875-S908 WeakPolarHBondContact O-CB 3.49Å; G875-V909 VanDerWaalsContact CA-CG2 3.48Å; G875-V909 PolarHBondContact O-N 3.24Å; G875-H914 WeakPolarHBondContact CA-ND1 3.49Å |
| 876 | H | 97.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 3% | 0.028 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -52.1 | -45.2 | 173.7 | -175.1 | 54.1 | 0 | 0 | 0 | 112.6 | H790 H792 D895 L902 F905 S908 | H790-H876 AromaticContact CD2-CD2 3.96Å; H790-H876 AromaticContact NE2-CD2 3.55Å; H790-H876 AromaticContact NE2-NE2 3.74Å; H792-H876 AromaticContact CE1-CD2 3.57Å; H792-H876 AromaticContact CE1-CE1 3.52Å; H792-H876 AromaticContact CE1-NE2 3.03Å; H792-H876 PolarHBondContact CE1-NE2 2.83Å; H792-H876 AromaticContact ND1-CD2 3.44Å; H792-H876 PolarHBondContact ND1-CD2 3.44Å; H792-H876 AromaticContact ND1-CE1 3.76Å; H792-H876 AromaticContact ND1-NE2 2.86Å; H792-H876 PolarHBondContact ND1-NE2 3.39Å; H876-D895 IonicContact CD2-OD2 2.68Å; H876-D895 IonicContact NE2-OD2 3.61Å; H876-L902 WeakPolarHBondContact CA-O 3.49Å; H876-L902 PolarHBondContact ND1-O 3.07Å; H876-F905 AromaticContact CE1-CD2 3.95Å; H876-F905 AromaticContact CE1-CE2 3.94Å; H876-S908 VanDerWaalsContact O-CA 3.24Å; H876-S908 WeakPolarHBondContact O-CA 3.18Å; H876-S908 WeakPolarHBondContact O-CB 3.38Å; H876-S908 PolarHBondContact O-OG 3.29Å |
| 877 | T | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -129.7 | 173.9 | 167 | 73.5 | 0 | 0 | 0 | 0 | 110.3 | H790 H792 D811 L814 P874 G875 G879 M880 | H790-T877 HydrophobicContact CB-CG2 4.21Å; H792-T877 VanDerWaalsContact CE1-CG2 3.42Å; H792-T877 WeakPolarHBondContact CE1-CG2 3.17Å; D811-T877 WeakPolarHBondContact OD1-CB 2.99Å; D811-T877 PolarHBondContact OD1-OG1 3.18Å; D811-T877 WeakPolarHBondContact OD2-CB 3.38Å; D811-T877 PolarHBondContact OD2-OG1 3.02Å; L814-T877 HydrophobicContact CD2-CG2 3.44Å; L814-T877 VanDerWaalsContact CD2-CG2 3.44Å; P874-T877 WeakPolarHBondContact CA-O 3.4Å; G875-T877 VanDerWaalsContact C-N 3.27Å; G875-T877 PolarHBondContact N-O 2.95Å; G875-T877 PolarHBondContact O-N 2.69Å; T877-G879 PolarHBondContact OG1-N 3.06Å; T877-M880 WeakPolarHBondContact OG1-CB 3.47Å; T877-M880 PolarHBondContact OG1-N 2.69Å |
| 878 | K | 97 | Very high | 97.3 | Very high | 112 Ų | 112 | 19.3 Ų | 19.3 | 49% | 0.487 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -74.8 | -34.2 | 175.7 | -65.7 | 174.2 | -174.8 | 173 | 0 | 112.1 | L810 V909 | L810-K878 HydrophobicContact CB-CB 4.08Å; L810-K878 WeakPolarHBondContact CD1-O 3.41Å; K878-V909 HydrophobicContact CG-CG1 3.88Å |
| 879 | G | 96.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -95.9 | 5.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S808 D811 T877 M881 | S808-G879 WeakPolarHBondContact CB-O 3.48Å; S808-G879 WeakPolarHBondContact OG-CA 3.19Å; D811-G879 VanDerWaalsContact CG-CA 3.42Å; D811-G879 VanDerWaalsContact CG-N 3.34Å; D811-G879 WeakPolarHBondContact OD1-CA 3.46Å; D811-G879 PolarHBondContact OD1-N 3.16Å; D811-G879 WeakPolarHBondContact OD2-CA 3.24Å; D811-G879 PolarHBondContact OD2-N 3.39Å; T877-G879 PolarHBondContact OG1-N 3.06Å; G879-M881 PolarHBondContact O-N 3.16Å |
| 880 | M | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -54.1 | 124.2 | -175.5 | -172.5 | 73.5 | -154.5 | 0 | 0 | 112.5 | H790 V873 T877 D895 A896 | H790-M880 HydrophobicContact CB-SD 3.63Å; H790-M880 VanDerWaalsContact CG-SD 3.52Å; H790-M880 PolarHBondContact ND1-SD 3.07Å; H790-M880 VanDerWaalsContact ND1-SD 3.36Å; V873-M880 PolarHBondContact N-O 3.43Å; V873-M880 WeakPolarHBondContact O-CB 3.49Å; T877-M880 WeakPolarHBondContact OG1-CB 3.47Å; T877-M880 PolarHBondContact OG1-N 2.69Å; M880-D895 HydrophobicContact CE-CB 4.14Å; M880-D895 HydrophobicContact SD-CB 4.33Å; M880-A896 HydrophobicContact CE-CB 4.07Å; M880-A896 HydrophobicContact CG-CB 3.57Å | ||
| 881 | M | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.2 | -179.9 | -159 | 69.3 | 71.4 | 0 | 0 | 110.1 | S789 L855 L870 L872 G879 F883 | S789-M881 WeakPolarHBondContact O-CB 3.38Å; S789-M881 PolarHBondContact O-N 2.98Å; L855-M881 HydrophobicContact CD2-CB 4.34Å; L855-M881 HydrophobicContact CD2-CE 4.02Å; L855-M881 HydrophobicContact CD2-CG 4.06Å; L855-M881 HydrophobicContact CG-CE 4.02Å; L870-M881 HydrophobicContact CB-CG 3.98Å; L870-M881 HydrophobicContact CB-SD 3.84Å; L870-M881 HydrophobicContact CD2-CG 3.7Å; L870-M881 HydrophobicContact CD2-SD 4.36Å; L870-M881 HydrophobicContact CG-CG 4.42Å; L872-M881 HydrophobicContact CB-SD 4.32Å; L872-M881 HydrophobicContact CD1-CE 4.11Å; L872-M881 PolarHBondContact N-SD 3.45Å; G879-M881 PolarHBondContact O-N 3.16Å; M881-F883 HydrophobicContact CB-CZ 4.48Å; M881-F883 HydrophobicContact CG-CE1 4.22Å |
| 882 | V | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 156.4 | 169.3 | -59.9 | 0 | 0 | 0 | 0 | 110 | L870 M871 V873 V892 A896 L921 W924 | L870-V882 WeakPolarHBondContact CA-O 3.36Å; M871-V882 HydrophobicContact CB-CG2 3.92Å; M871-V882 PolarHBondContact N-O 2.87Å; M871-V882 VanDerWaalsContact N-O 3.09Å; M871-V882 PolarHBondContact O-N 3.35Å; V873-V882 HydrophobicContact CB-CG1 4.23Å; V873-V882 HydrophobicContact CG2-CB 4.45Å; V873-V882 HydrophobicContact CG2-CG1 4.05Å; V873-V882 HydrophobicContact CG2-CG2 3.53Å; V882-V892 WeakPolarHBondContact CB-O 3.28Å; V882-A896 HydrophobicContact CG1-CB 3.41Å; V882-A896 VanDerWaalsContact CG1-CB 3.41Å; V882-L921 HydrophobicContact CG2-CD1 3.57Å; V882-L921 HydrophobicContact CG2-CD2 4.37Å; V882-W924 HydrophobicContact CB-CZ3 4.35Å; V882-W924 HydrophobicContact CG2-CH2 3.84Å; V882-W924 HydrophobicContact CG2-CZ3 3.64Å |
| 883 | F | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139 | -174.1 | -47.1 | -81.1 | 0 | 0 | 0 | 111.2 | L763 I787 I868 E869 L870 M881 A891 V892 | L763-F883 HydrophobicContact CD1-CB 4.23Å; L763-F883 HydrophobicContact CD1-CD2 3.74Å; L763-F883 HydrophobicContact CD1-CE2 4.2Å; L763-F883 HydrophobicContact CD1-CG 3.94Å; L763-F883 HydrophobicContact CD2-CD1 4.22Å; L763-F883 HydrophobicContact CD2-CD2 4.43Å; L763-F883 HydrophobicContact CD2-CE1 4.12Å; L763-F883 HydrophobicContact CD2-CE2 4.32Å; L763-F883 HydrophobicContact CD2-CG 4.36Å; L763-F883 HydrophobicContact CD2-CZ 4.17Å; I787-F883 HydrophobicContact CG2-CE1 3.61Å; I787-F883 HydrophobicContact CG2-CZ 4Å; I868-F883 HydrophobicContact CG2-CB 3.99Å; I868-F883 HydrophobicContact CG2-CD1 3.99Å; I868-F883 HydrophobicContact CG2-CG 4.39Å; E869-F883 CarbonylContact O-C 3.42Å; E869-F883 WeakPolarHBondContact O-CA 3.47Å; L870-F883 HydrophobicContact CD2-CD1 3.73Å; L870-F883 HydrophobicContact CD2-CE1 3.53Å; L870-F883 HydrophobicContact CG-CD1 4.04Å; L870-F883 HydrophobicContact CG-CE1 4.35Å; M881-F883 HydrophobicContact CB-CZ 4.48Å; M881-F883 HydrophobicContact CG-CE1 4.22Å; F883-A891 CarbonylContact O-C 3.55Å; F883-A891 WeakPolarHBondContact O-CA 3.47Å; F883-V892 HydrophobicContact CB-CB 4.1Å; F883-V892 HydrophobicContact CB-CG2 4.27Å; F883-V892 HydrophobicContact CD2-CB 4.04Å; F883-V892 HydrophobicContact CD2-CG1 4.25Å; F883-V892 PolarHBondContact N-O 3.02Å; F883-V892 PolarHBondContact O-N 2.93Å |
| 884 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.2 | 169.6 | 179 | 68 | 0 | 0 | 0 | 108.8 | I868 E869 P886 A891 W924 R927 Y928 | I868-L884 WeakPolarHBondContact CA-O 3.16Å; E869-L884 HydrophobicContact CB-CB 4.32Å; E869-L884 PolarHBondContact N-O 2.7Å; E869-L884 PolarHBondContact O-N 3.31Å; L884-P886 HydrophobicContact CD2-CG 4.02Å; L884-P886 HydrophobicContact CG-CG 3.96Å; L884-P886 WeakPolarHBondContact O-CD 3.3Å; L884-A891 HydrophobicContact CD1-CB 4.25Å; L884-W924 HydrophobicContact CB-CD2 3.93Å; L884-W924 HydrophobicContact CB-CE3 3.73Å; L884-W924 HydrophobicContact CB-CH2 3.62Å; L884-W924 HydrophobicContact CB-CZ2 3.81Å; L884-W924 HydrophobicContact CB-CZ3 3.58Å; L884-W924 HydrophobicContact CD1-CE3 4.44Å; L884-W924 HydrophobicContact CD2-CB 4.44Å; L884-W924 HydrophobicContact CD2-CD2 3.92Å; L884-W924 HydrophobicContact CD2-CE3 4.42Å; L884-W924 HydrophobicContact CD2-CG 3.93Å; L884-W924 HydrophobicContact CG-CD2 4.39Å; L884-W924 HydrophobicContact CG-CE3 4.42Å; L884-R927 HydrophobicContact CD1-CB 4.46Å; L884-R927 HydrophobicContact CD2-CB 3.98Å; L884-Y928 HydrophobicContact CD1-CD1 4.06Å; L884-Y928 HydrophobicContact CD1-CG 4.36Å |
| 885 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 85.2 | 171.9 | -55.8 | 91.2 | 0 | 0 | 0 | 107.2 | I740 V866 I868 E887 E888 E889 V890 V892 | I740-I885 HydrophobicContact CD1-CB 4.37Å; I740-I885 HydrophobicContact CD1-CD1 4.42Å; I740-I885 HydrophobicContact CD1-CG1 4.43Å; I740-I885 HydrophobicContact CD1-CG2 4.37Å; V866-I885 HydrophobicContact CG2-CG2 3.27Å; I868-I885 HydrophobicContact CG1-CG1 4.35Å; I885-E887 VanDerWaalsContact C-N 3.33Å; I885-E887 PolarHBondContact O-N 3.14Å; I885-E888 HydrophobicContact CB-CB 4.47Å; I885-E888 HydrophobicContact CG2-CB 3.87Å; I885-E888 HydrophobicContact CG2-CG 3.8Å; I885-E888 PolarHBondContact O-N 2.81Å; I885-E889 PolarHBondContact O-N 3.23Å; I885-E889 VanDerWaalsContact O-N 3.14Å; I885-V890 PolarHBondContact N-O 3.07Å; I885-V890 PolarHBondContact O-N 3.43Å; I885-V892 HydrophobicContact CD1-CG2 3.65Å |
| 886 | P | 96.6 | Very high | 97 | Very high | 27 Ų | 27 | 19.9 Ų | 19.9 | 18% | 0.175 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -61.5 | -38.1 | -168.2 | -21.2 | 31.4 | 0 | 0 | 0 | 113.4 | T867 L884 E888 E889 | T867-P886 WeakPolarHBondContact O-CD 3.26Å; L884-P886 HydrophobicContact CD2-CG 4.02Å; L884-P886 HydrophobicContact CG-CG 3.96Å; L884-P886 WeakPolarHBondContact O-CD 3.3Å; P886-E888 PolarHBondContact O-N 3.25Å; P886-E889 PolarHBondContact O-N 2.75Å; P886-E889 VanDerWaalsContact O-N 3.09Å |
| 887 | E | 97.3 | Very high | 96.9 | Very high | 92 Ų | 92 | 19.6 Ų | 19.6 | 43% | 0.43 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -69.2 | -20.9 | -177.1 | -60.3 | 81.9 | -179.1 | 0 | 0 | 113 | T867 I885 | T867-E887 PolarHBondContact N-OE2 3.36Å; T867-E887 PolarHBondContact OG1-OE1 2.82Å; T867-E887 PolarHBondContact OG1-OE2 3.22Å; I885-E887 VanDerWaalsContact C-N 3.33Å; I885-E887 PolarHBondContact O-N 3.14Å |
| 888 | E | 96.8 | Very high | 96.6 | Very high | 40 Ų | 40 | 19.9 Ų | 19.9 | 19% | 0.187 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -101.6 | -2.6 | 175.1 | -61.6 | -70.7 | 151.1 | 0 | 0 | 111.9 | T737 R739 I740 V866 I885 P886 V890 | T737-E888 WeakPolarHBondContact CB-OE2 3.25Å; T737-E888 HydrophobicContact CG2-CB 4.48Å; T737-E888 PolarHBondContact OG1-OE2 3.28Å; R739-E888 HydrophobicContact CB-CG 4.46Å; R739-E888 VanDerWaalsContact CD-OE1 3.24Å; R739-E888 WeakPolarHBondContact CD-OE1 3.15Å; R739-E888 WeakPolarHBondContact CG-OE1 3.11Å; R739-E888 IonicContact NE-OE1 3.62Å; I740-E888 HydrophobicContact CD1-CB 3.89Å; I740-E888 HydrophobicContact CD1-CG 4.1Å; I740-E888 HydrophobicContact CG1-CG 4.31Å; V866-E888 HydrophobicContact CG2-CG 4.36Å; I885-E888 HydrophobicContact CB-CB 4.47Å; I885-E888 HydrophobicContact CG2-CB 3.87Å; I885-E888 HydrophobicContact CG2-CG 3.8Å; I885-E888 PolarHBondContact O-N 2.81Å; P886-E888 PolarHBondContact O-N 3.25Å; E888-V890 HydrophobicContact CB-CG2 4.24Å; E888-V890 WeakPolarHBondContact O-CG2 3.38Å; E888-V890 PolarHBondContact O-N 2.98Å |
| 889 | E | 97.6 | Very high | 96.3 | Very high | 103 Ų | 103 | 16.3 Ų | 16.3 | 48% | 0.481 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33.2 | -174.9 | -56.1 | -178.5 | 146.3 | 0 | 0 | 113.4 | I885 P886 Y928 N929 R930 | I885-E889 PolarHBondContact O-N 3.23Å; I885-E889 VanDerWaalsContact O-N 3.14Å; P886-E889 PolarHBondContact O-N 2.75Å; P886-E889 VanDerWaalsContact O-N 3.09Å; E889-Y928 CarbonylContact O-C 3.58Å; E889-Y928 WeakPolarHBondContact O-CA 3.18Å; E889-Y928 WeakPolarHBondContact O-CB 3.07Å; E889-N929 PolarHBondContact O-N 3.33Å; E889-N929 PolarHBondContact O-OD1 2.96Å; E889-N929 PolarHBondContact OE2-ND2 3.05Å; E889-R930 PolarHBondContact O-N 3.05Å |
| 890 | V | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.6 | -177.3 | 177 | 0 | 0 | 0 | 0 | 111.3 | T737 I740 I885 E888 R930 I932 | T737-V890 HydrophobicContact CG2-CG2 4.12Å; I740-V890 HydrophobicContact CD1-CB 3.89Å; I740-V890 HydrophobicContact CD1-CG1 4.1Å; I740-V890 HydrophobicContact CD1-CG2 3.94Å; I885-V890 PolarHBondContact N-O 3.07Å; I885-V890 PolarHBondContact O-N 3.43Å; E888-V890 HydrophobicContact CB-CG2 4.24Å; E888-V890 WeakPolarHBondContact O-CG2 3.38Å; E888-V890 PolarHBondContact O-N 2.98Å; V890-R930 HydrophobicContact CG2-CB 4.26Å; V890-I932 HydrophobicContact CG1-CD1 3.59Å; V890-I932 HydrophobicContact CG1-CG1 3.6Å; V890-I932 HydrophobicContact CG1-CG2 4.34Å |
| 891 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F883 L884 F893 Y928 R930 I931 I932 | F883-A891 CarbonylContact O-C 3.55Å; F883-A891 WeakPolarHBondContact O-CA 3.47Å; L884-A891 HydrophobicContact CD1-CB 4.25Å; A891-F893 HydrophobicContact CB-CD1 3.99Å; A891-F893 HydrophobicContact CB-CE1 3.63Å; A891-Y928 HydrophobicContact CB-CD1 4Å; A891-Y928 HydrophobicContact CB-CD2 3.8Å; A891-Y928 HydrophobicContact CB-CE1 4.46Å; A891-Y928 HydrophobicContact CB-CE2 4.27Å; A891-Y928 HydrophobicContact CB-CG 3.67Å; A891-R930 PolarHBondContact N-O 3.2Å; A891-I931 WeakPolarHBondContact O-CA 3.37Å; A891-I932 PolarHBondContact O-N 3.43Å |
| 892 | V | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 101.1 | 174.6 | -167.2 | 0 | 0 | 0 | 0 | 108.1 | Y752 L763 V882 F883 I885 I932 | Y752-V892 HydrophobicContact CD2-CG1 4.24Å; Y752-V892 HydrophobicContact CE2-CG1 4.3Å; L763-V892 HydrophobicContact CD1-CG2 4.12Å; V882-V892 WeakPolarHBondContact CB-O 3.28Å; F883-V892 HydrophobicContact CB-CB 4.1Å; F883-V892 HydrophobicContact CB-CG2 4.27Å; F883-V892 HydrophobicContact CD2-CB 4.04Å; F883-V892 HydrophobicContact CD2-CG1 4.25Å; F883-V892 PolarHBondContact N-O 3.02Å; F883-V892 PolarHBondContact O-N 2.93Å; I885-V892 HydrophobicContact CD1-CG2 3.65Å; V892-I932 WeakPolarHBondContact CA-O 3.47Å; V892-I932 HydrophobicContact CB-CG1 4.22Å; V892-I932 HydrophobicContact CG1-CG1 4.28Å; V892-I932 HydrophobicContact CG2-CD1 3.73Å; V892-I932 HydrophobicContact CG2-CG1 3.79Å |
| 893 | F | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -85.9 | -20.8 | -179.5 | -76.8 | 7 | 0 | 0 | 0 | 112.9 | A891 D895 A896 C897 L921 Y928 I931 I932 R933 L944 L945 | A891-F893 HydrophobicContact CB-CD1 3.99Å; A891-F893 HydrophobicContact CB-CE1 3.63Å; F893-D895 PolarHBondContact O-N 2.98Å; F893-A896 VanDerWaalsContact O-CB 3.28Å; F893-A896 WeakPolarHBondContact O-CB 3.47Å; F893-A896 PolarHBondContact O-N 3.41Å; F893-C897 HydrophobicContact CB-CB 4.41Å; F893-C897 HydrophobicContact CD2-CB 3.72Å; F893-C897 HydrophobicContact CE2-CB 4.37Å; F893-C897 HydrophobicContact CG-CB 4.38Å; F893-L921 HydrophobicContact CD1-CD2 4.16Å; F893-L921 HydrophobicContact CE1-CD2 3.67Å; F893-L921 HydrophobicContact CE1-CG 4.3Å; F893-L921 HydrophobicContact CE2-CD2 4.17Å; F893-L921 HydrophobicContact CZ-CD2 3.67Å; F893-L921 HydrophobicContact CZ-CG 4.34Å; F893-Y928 HydrophobicContact CZ-CE2 4.26Å; F893-I931 HydrophobicContact CB-CG2 4.1Å; F893-I931 HydrophobicContact CD1-CG2 4.3Å; F893-I931 HydrophobicContact CD2-CD1 4.41Å; F893-I931 HydrophobicContact CD2-CG2 3.53Å; F893-I931 HydrophobicContact CE2-CD1 3.8Å; F893-I931 HydrophobicContact CE2-CG1 4.28Å; F893-I931 HydrophobicContact CE2-CG2 3.96Å; F893-I931 HydrophobicContact CG-CG2 3.72Å; F893-I931 HydrophobicContact CZ-CD1 4.19Å; F893-I931 HydrophobicContact CZ-CG1 4.38Å; F893-I932 PolarHBondContact N-O 3.48Å; F893-R933 HydrophobicContact CB-CG 4.47Å; F893-L944 HydrophobicContact CD2-CD2 4.11Å; F893-L945 HydrophobicContact CE2-CB 4.07Å; F893-L945 HydrophobicContact CZ-CB 4.45Å; F893-L945 HydrophobicContact CZ-CD2 4.45Å | ||
| 894 | G | 91.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | -125.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N934 | G894-N934 WeakPolarHBondContact CA-OD1 3.48Š|
| 895 | D | 95.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 22.8 Ų | 22.8 | 14% | 0.139 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1.2 | -176.1 | -75.4 | 34.7 | 0 | 0 | 0 | 113.3 | H795 H876 M880 F893 C897 H935 | H795-D895 IonicContact CE1-OD1 3.64Å; H795-D895 IonicContact NE2-OD1 2.63Å; H795-D895 IonicContact NE2-OD2 2.89Å; H876-D895 IonicContact CD2-OD2 2.68Å; H876-D895 IonicContact NE2-OD2 3.61Å; M880-D895 HydrophobicContact CE-CB 4.14Å; M880-D895 HydrophobicContact SD-CB 4.33Å; F893-D895 PolarHBondContact O-N 2.98Å; D895-C897 VanDerWaalsContact C-N 3.33Å; D895-H935 IonicContact OD1-CD2 2.7Å; D895-H935 PolarHBondContact OD1-CD2 2.99Å; D895-H935 VanDerWaalsContact OD1-CD2 3.27Å; D895-H935 IonicContact OD1-NE2 2.71Å; D895-H935 IonicContact OD2-CD2 3.52Å; D895-H935 IonicContact OD2-NE2 3.39Å |
| 896 | A | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -70.2 | -33.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V873 M880 V882 F893 T901 H914 | V873-A896 HydrophobicContact CB-CB 4.13Å; V873-A896 HydrophobicContact CG1-CB 4Å; M880-A896 HydrophobicContact CE-CB 4.07Å; M880-A896 HydrophobicContact CG-CB 3.57Å; V882-A896 HydrophobicContact CG1-CB 3.41Å; V882-A896 VanDerWaalsContact CG1-CB 3.41Å; F893-A896 VanDerWaalsContact O-CB 3.28Å; F893-A896 WeakPolarHBondContact O-CB 3.47Å; F893-A896 PolarHBondContact O-N 3.41Å; A896-T901 WeakPolarHBondContact O-CG2 3.45Å; A896-H914 PolarHBondContact O-CE1 2.99Å; A896-H914 PolarHBondContact O-NE2 2.87Å |
| 897 | C | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -154.6 | 107.4 | -178.7 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | F893 D895 L918 R933 L944 N948 | F893-C897 HydrophobicContact CB-CB 4.41Å; F893-C897 HydrophobicContact CD2-CB 3.72Å; F893-C897 HydrophobicContact CE2-CB 4.37Å; F893-C897 HydrophobicContact CG-CB 4.38Å; D895-C897 VanDerWaalsContact C-N 3.33Å; C897-L918 HydrophobicContact CB-CD2 3.94Å; C897-R933 WeakPolarHBondContact O-CD 3.47Å; C897-L944 VanDerWaalsContact O-CD2 3.26Å; C897-L944 WeakPolarHBondContact O-CD2 3.33Å; C897-N948 VanDerWaalsContact SG-CG 3.6Å |
| 898 | G | 92.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -143.1 | -172.9 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | N900 T901 G989 N990 | G898-N900 PolarHBondContact O-N 2.97Å; G898-T901 PolarHBondContact N-OG1 2.7Å; G898-G989 WeakPolarHBondContact O-CA 3.35Å; G898-N990 PolarHBondContact O-N 3.24Å |
| 899 | E | 90.6 | Very high | 94.9 | Very high | 38 Ų | 38 | 22.1 Ų | 22.1 | 18% | 0.178 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.2 | 176.2 | -64.9 | -57.6 | 147.7 | 0 | 0 | 112.7 | S940 R978 T988 G989 N990 | E899-S940 PolarHBondContact OE1-OG 3.09Å; E899-R978 VanDerWaalsContact O-CZ 3.27Å; E899-R978 PolarHBondContact O-NH1 3.37Å; E899-R978 PolarHBondContact O-NH2 2.61Å; E899-R978 IonicContact OE2-CZ 3.12Å; E899-R978 IonicContact OE2-NH1 2.68Å; E899-R978 IonicContact OE2-NH2 2.74Å; E899-R978 PolarHBondContact OE2-NH2 2.98Å; E899-T988 WeakPolarHBondContact OE1-CG2 3.3Å; E899-G989 PolarHBondContact OE2-N 3.41Å; E899-N990 WeakPolarHBondContact O-CB 3.41Å; E899-N990 PolarHBondContact O-N 2.88Å; E899-N990 VanDerWaalsContact O-N 3.16Å |
| 900 | N | 91.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 19 Ų | 19 | 43% | 0.428 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -145.7 | 86.8 | 167.2 | -76.6 | -45.5 | 0 | 0 | 0 | 107.9 | G898 L902 N990 V992 | G898-N900 PolarHBondContact O-N 2.97Å; N900-L902 HydrophobicContact CB-CD2 4.42Å; N900-L902 PolarHBondContact O-N 3.22Å; N900-N990 WeakPolarHBondContact CA-O 3.38Å; N900-N990 WeakPolarHBondContact OD1-CB 3.35Å; N900-N990 PolarHBondContact OD1-ND2 3.3Å; N900-V992 HydrophobicContact CB-CG2 4.24Å |
| 901 | T | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 114.5 | 175 | -48.4 | 0 | 0 | 0 | 0 | 108.9 | A896 G898 I903 N948 N990 V992 | A896-T901 WeakPolarHBondContact O-CG2 3.45Å; G898-T901 PolarHBondContact N-OG1 2.7Å; T901-I903 HydrophobicContact CG2-CD1 4.23Å; T901-I903 HydrophobicContact CG2-CG1 4.15Å; T901-I903 PolarHBondContact O-N 3.2Å; T901-N948 PolarHBondContact OG1-OD1 2.68Å; T901-N948 VanDerWaalsContact OG1-OD1 3.08Å; T901-N990 PolarHBondContact N-O 2.79Å; T901-V992 PolarHBondContact O-N 3.12Å |
| 902 | L | 95.1 | Very high | 94.8 | Very high | 28 Ų | 28 | 20.7 Ų | 20.7 | 15% | 0.147 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 103.4 | -173.8 | -54.6 | -177.2 | 0 | 0 | 0 | 110.7 | H876 N900 F905 V967 V992 | H876-L902 WeakPolarHBondContact CA-O 3.49Å; H876-L902 PolarHBondContact ND1-O 3.07Å; N900-L902 HydrophobicContact CB-CD2 4.42Å; N900-L902 PolarHBondContact O-N 3.22Å; L902-F905 HydrophobicContact CB-CD2 4.3Å; L902-F905 HydrophobicContact CB-CE2 3.82Å; L902-F905 HydrophobicContact CD1-CE2 3.61Å; L902-F905 HydrophobicContact CD1-CZ 3.88Å; L902-F905 HydrophobicContact CG-CE2 4.37Å; L902-V967 HydrophobicContact CD1-CG1 4.04Å; L902-V967 HydrophobicContact CD2-CG1 3.99Å; L902-V992 HydrophobicContact CD2-CB 3.77Å; L902-V992 HydrophobicContact CD2-CG1 4.3Å; L902-V992 HydrophobicContact CD2-CG2 3.99Å |
| 903 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 50.2 | 176.4 | -48.6 | -180 | 0 | 0 | 0 | 108.5 | T901 V909 I911 H914 I991 V992 Y993 K997 | T901-I903 HydrophobicContact CG2-CD1 4.23Å; T901-I903 HydrophobicContact CG2-CG1 4.15Å; T901-I903 PolarHBondContact O-N 3.2Å; I903-V909 WeakPolarHBondContact CG2-O 3.44Å; I903-I911 HydrophobicContact CB-CD1 3.94Å; I903-I911 HydrophobicContact CD1-CD1 3.72Å; I903-I911 HydrophobicContact CG1-CD1 4.38Å; I903-I911 HydrophobicContact CG2-CD1 3.87Å; I903-H914 HydrophobicContact CD1-CB 3.89Å; I903-H914 WeakPolarHBondContact CD1-CD2 3.33Å; I903-I991 HydrophobicContact CD1-CG2 4.02Å; I903-I991 HydrophobicContact CG1-CG2 4.33Å; I903-V992 CarbonylContact C-O 3.57Å; I903-V992 WeakPolarHBondContact CA-O 3.47Å; I903-V992 PolarHBondContact N-O 3.16Å; I903-Y993 VanDerWaalsContact O-CA 3.29Å; I903-Y993 WeakPolarHBondContact O-CA 3.43Å; I903-K997 HydrophobicContact CG2-CB 4.34Å; I903-K997 WeakPolarHBondContact O-CG 3.07Å |
| 904 | C | 94.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | trans | -125.8 | -5.3 | -176.7 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | V970 A972 T994 | C904-V970 HydrophobicContact CB-CG1 4.25Å; C904-A972 HydrophobicContact CB-CB 3.97Å; C904-T994 HydrophobicContact CB-CG2 3.82Å | ||
| 905 | F | 93.7 | Very high | 95.2 | Very high | 24 Ų | 24 | 27.6 Ų | 27.6 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -92.1 | 155.6 | -176.3 | -59.1 | -50.2 | 0 | 0 | 0 | 112.1 | H876 L902 E907 S908 H968 V970 K997 | H876-F905 AromaticContact CE1-CD2 3.95Å; H876-F905 AromaticContact CE1-CE2 3.94Å; L902-F905 HydrophobicContact CB-CD2 4.3Å; L902-F905 HydrophobicContact CB-CE2 3.82Å; L902-F905 HydrophobicContact CD1-CE2 3.61Å; L902-F905 HydrophobicContact CD1-CZ 3.88Å; L902-F905 HydrophobicContact CG-CE2 4.37Å; F905-E907 HydrophobicContact CB-CG 4.11Å; F905-E907 WeakPolarHBondContact CB-OE1 3.34Å; F905-E907 PolarHBondContact O-N 2.92Å; F905-S908 PolarHBondContact N-OG 3.2Å; F905-S908 WeakPolarHBondContact O-CB 3.36Å; F905-S908 PolarHBondContact O-N 2.99Å; F905-S908 PolarHBondContact O-OG 2.58Å; F905-H968 HydrophobicContact CE1-CB 4.03Å; F905-H968 HydrophobicContact CZ-CB 4.2Å; F905-H968 AromaticContact CZ-CD2 3.99Å; F905-V970 HydrophobicContact CD1-CG2 4.14Å; F905-V970 HydrophobicContact CE1-CG2 4.1Å; F905-K997 WeakPolarHBondContact O-CE 3.35Å; F905-K997 PolarHBondContact O-NZ 3Å |
| 906 | P | 91.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 33.8 Ų | 33.8 | 66% | 0.662 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.4 | 179.2 | -27.2 | 35.7 | 0 | 0 | 0 | 113.7 | K997 | P906-K997 PolarHBondContact O-NZ 3.45Š|
| 907 | E | 93.9 | Very high | 95.4 | Very high | 27 Ų | 27 | 34 Ų | 34 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -17.9 | 178.5 | 51.4 | -85.8 | -168.3 | 0 | 0 | 114.8 | H792 L814 K817 H818 F905 | H792-E907 IonicContact NE2-OE1 2.58Å; H792-E907 PolarHBondContact NE2-OE1 3.22Å; L814-E907 HydrophobicContact CD1-CB 3.89Å; L814-E907 HydrophobicContact CD1-CG 3.75Å; L814-E907 HydrophobicContact CD2-CB 4.22Å; L814-E907 HydrophobicContact CD2-CG 4.16Å; K817-E907 IonicContact NZ-OE2 3.72Å; H818-E907 IonicContact CE1-OE1 3.91Å; H818-E907 PolarHBondContact CE1-OE1 2.77Å; H818-E907 IonicContact NE2-OE1 3.46Å; F905-E907 HydrophobicContact CB-CG 4.11Å; F905-E907 WeakPolarHBondContact CB-OE1 3.34Å; F905-E907 PolarHBondContact O-N 2.92Å |
| 908 | S | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -68.4 | 150.3 | 175.4 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | G875 H876 F905 K997 | G875-S908 CarbonylContact O-C 3.53Å; G875-S908 WeakPolarHBondContact O-CA 3.38Å; G875-S908 VanDerWaalsContact O-CB 3.28Å; G875-S908 WeakPolarHBondContact O-CB 3.49Å; H876-S908 VanDerWaalsContact O-CA 3.24Å; H876-S908 WeakPolarHBondContact O-CA 3.18Å; H876-S908 WeakPolarHBondContact O-CB 3.38Å; H876-S908 PolarHBondContact O-OG 3.29Å; F905-S908 PolarHBondContact N-OG 3.2Å; F905-S908 WeakPolarHBondContact O-CB 3.36Å; F905-S908 PolarHBondContact O-N 2.99Å; F905-S908 PolarHBondContact O-OG 2.58Å; S908-K997 PolarHBondContact O-NZ 3.44Å |
| 909 | V | 96.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | trans | -83.6 | -177.4 | 172.7 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | P874 G875 K878 I903 E913 H914 | P874-V909 HydrophobicContact CB-CG1 4.09Å; P874-V909 HydrophobicContact CB-CG2 4.21Å; G875-V909 VanDerWaalsContact CA-CG2 3.48Å; G875-V909 PolarHBondContact O-N 3.24Å; K878-V909 HydrophobicContact CG-CG1 3.88Å; I903-V909 WeakPolarHBondContact CG2-O 3.44Å; V909-E913 HydrophobicContact CB-CB 4.13Å; V909-E913 HydrophobicContact CB-CG 4.18Å; V909-E913 HydrophobicContact CG2-CB 3.96Å; V909-E913 HydrophobicContact CG2-CG 4.07Å; V909-H914 HydrophobicContact CG2-CB 4.35Å | ||
| 910 | S | 97.4 | Very high | 96 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 26% | 0.259 | 20% | 0.2 | S | C | . | . | trans | -76 | 156.4 | 173.5 | 67.5 | 0 | 0 | 0 | 0 | 112.3 | A912 E913 H914 K997 | S910-A912 PolarHBondContact O-N 3.26Å; S910-E913 PolarHBondContact O-N 2.87Å; S910-E913 PolarHBondContact OG-N 3.42Å; S910-H914 PolarHBondContact O-N 3.07Å; S910-K997 CarbonylContact C-O 3.56Å; S910-K997 WeakPolarHBondContact CA-O 3.07Å; S910-K997 WeakPolarHBondContact CB-O 3.41Å | ||
| 911 | I | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.5 | -39.7 | 172.8 | -61 | -66.9 | 0 | 0 | 0 | 110.1 | I903 E913 H914 Y915 C952 V955 L956 I991 Y993 K997 | I903-I911 HydrophobicContact CB-CD1 3.94Å; I903-I911 HydrophobicContact CD1-CD1 3.72Å; I903-I911 HydrophobicContact CG1-CD1 4.38Å; I903-I911 HydrophobicContact CG2-CD1 3.87Å; I911-E913 VanDerWaalsContact C-N 3.32Å; I911-E913 PolarHBondContact O-N 3.27Å; I911-H914 PolarHBondContact O-N 3.42Å; I911-Y915 WeakPolarHBondContact O-CB 3.43Å; I911-Y915 PolarHBondContact O-N 2.86Å; I911-C952 HydrophobicContact CG2-CB 4.18Å; I911-V955 HydrophobicContact CG1-CG1 4.08Å; I911-V955 HydrophobicContact CG2-CB 4.36Å; I911-V955 HydrophobicContact CG2-CG1 4.04Å; I911-L956 HydrophobicContact CB-CD2 4.29Å; I911-L956 HydrophobicContact CG2-CD1 4.31Å; I911-L956 HydrophobicContact CG2-CD2 4.08Å; I911-L956 HydrophobicContact CG2-CG 3.86Å; I911-I991 HydrophobicContact CD1-CG2 3.81Å; I911-Y993 HydrophobicContact CD1-CG 4.32Å; I911-Y993 HydrophobicContact CG1-CD2 4.49Å; I911-K997 WeakPolarHBondContact CG1-O 3.24Å; I911-K997 PolarHBondContact N-O 2.88Å |
| 912 | A | 96.9 | Very high | 96.3 | Very high | 35 Ų | 35 | 36.7 Ų | 36.7 | 29% | 0.289 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.7 | -35.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S910 K916 L956 L998 | S910-A912 PolarHBondContact O-N 3.26Å; A912-K916 WeakPolarHBondContact O-CG 3.36Å; A912-L956 HydrophobicContact CB-CD2 4.09Å; A912-L998 PolarHBondContact N-OXT 2.94Å |
| 913 | E | 97.3 | Very high | 96.3 | Very high | 92 Ų | 92 | 41.9 Ų | 41.9 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -73.8 | -45.3 | 175.5 | -172.8 | 170.6 | 170.3 | 0 | 0 | 110.9 | P874 V909 S910 I911 Y915 K916 A917 | P874-E913 HydrophobicContact CG-CG 4.45Å; V909-E913 HydrophobicContact CB-CB 4.13Å; V909-E913 HydrophobicContact CB-CG 4.18Å; V909-E913 HydrophobicContact CG2-CB 3.96Å; V909-E913 HydrophobicContact CG2-CG 4.07Å; S910-E913 PolarHBondContact O-N 2.87Å; S910-E913 PolarHBondContact OG-N 3.42Å; I911-E913 VanDerWaalsContact C-N 3.32Å; I911-E913 PolarHBondContact O-N 3.27Å; E913-Y915 VanDerWaalsContact C-N 3.32Å; E913-Y915 PolarHBondContact O-N 2.86Å; E913-K916 WeakPolarHBondContact O-CB 3.27Å; E913-K916 PolarHBondContact O-N 3.19Å; E913-K916 VanDerWaalsContact O-N 3.16Å; E913-A917 PolarHBondContact O-N 3.09Å; E913-A917 VanDerWaalsContact O-N 3.12Å |
| 914 | H | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 176.2 | -171.9 | 54.2 | 0 | 0 | 0 | 112.8 | P874 G875 A896 I903 V909 S910 I911 K916 A917 L918 | P874-H914 WeakPolarHBondContact O-CA 3.42Å; P874-H914 PolarHBondContact O-ND1 3.03Å; G875-H914 WeakPolarHBondContact CA-ND1 3.49Å; A896-H914 PolarHBondContact O-CE1 2.99Å; A896-H914 PolarHBondContact O-NE2 2.87Å; I903-H914 HydrophobicContact CD1-CB 3.89Å; I903-H914 WeakPolarHBondContact CD1-CD2 3.33Å; V909-H914 HydrophobicContact CG2-CB 4.35Å; S910-H914 PolarHBondContact O-N 3.07Å; I911-H914 PolarHBondContact O-N 3.42Å; H914-K916 VanDerWaalsContact C-N 3.3Å; H914-K916 PolarHBondContact O-N 3.31Å; H914-A917 CarbonylContact O-C 3.37Å; H914-A917 WeakPolarHBondContact O-CA 3.34Å; H914-A917 VanDerWaalsContact O-CB 3.31Å; H914-A917 WeakPolarHBondContact O-CB 3.26Å; H914-A917 PolarHBondContact O-N 2.86Å; H914-L918 WeakPolarHBondContact NE2-CD1 3.42Å; H914-L918 WeakPolarHBondContact NE2-CG 3.46Å; H914-L918 WeakPolarHBondContact O-CG 3.48Å; H914-L918 PolarHBondContact O-N 3.11Å |
| 915 | Y | 98.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.2 | -42.4 | 175 | 176.7 | -116.9 | 0 | 0 | 0 | 112.3 | I911 E913 A917 N919 I949 C952 E953 L956 | I911-Y915 WeakPolarHBondContact O-CB 3.43Å; I911-Y915 PolarHBondContact O-N 2.86Å; E913-Y915 VanDerWaalsContact C-N 3.32Å; E913-Y915 PolarHBondContact O-N 2.86Å; Y915-A917 VanDerWaalsContact C-N 3.31Å; Y915-N919 WeakPolarHBondContact CD2-ND2 3.48Å; Y915-N919 WeakPolarHBondContact CE2-ND2 3.47Å; Y915-N919 WeakPolarHBondContact O-CB 3.4Å; Y915-N919 PolarHBondContact O-N 3.27Å; Y915-N919 PolarHBondContact O-ND2 3.44Å; Y915-I949 HydrophobicContact CD2-CG2 4.39Å; Y915-I949 HydrophobicContact CE2-CG2 3.71Å; Y915-C952 HydrophobicContact CD2-CB 3.48Å; Y915-C952 VanDerWaalsContact CD2-CB 3.48Å; Y915-C952 HydrophobicContact CE2-CB 4.39Å; Y915-C952 HydrophobicContact CG-CB 4.04Å; Y915-E953 HydrophobicContact CD2-CG 4.49Å; Y915-E953 HydrophobicContact CE2-CG 3.61Å; Y915-E953 PolarHBondContact OH-OE1 3.24Å; Y915-L956 HydrophobicContact CD1-CD1 4.4Å; Y915-L956 HydrophobicContact CG-CD1 4.38Å |
| 916 | K | 97.4 | Very high | 96.2 | Very high | 156 Ų | 156 | 48.6 Ų | 48.6 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.4 | -38 | 175.1 | -68.3 | 172.4 | -175.2 | 172.6 | 0 | 111.4 | A912 E913 H914 N919 K920 | A912-K916 WeakPolarHBondContact O-CG 3.36Å; E913-K916 WeakPolarHBondContact O-CB 3.27Å; E913-K916 PolarHBondContact O-N 3.19Å; E913-K916 VanDerWaalsContact O-N 3.16Å; H914-K916 VanDerWaalsContact C-N 3.3Å; H914-K916 PolarHBondContact O-N 3.31Å; K916-N919 PolarHBondContact O-N 2.84Å; K916-K920 PolarHBondContact O-N 3.08Å |
| 917 | A | 97.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 48 Ų | 48 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V873 P874 E913 H914 Y915 N919 K920 L921 | V873-A917 HydrophobicContact CB-CB 4.47Å; V873-A917 HydrophobicContact CG1-CB 3.87Å; P874-A917 HydrophobicContact CG-CB 4.04Å; E913-A917 PolarHBondContact O-N 3.09Å; E913-A917 VanDerWaalsContact O-N 3.12Å; H914-A917 CarbonylContact O-C 3.37Å; H914-A917 WeakPolarHBondContact O-CA 3.34Å; H914-A917 VanDerWaalsContact O-CB 3.31Å; H914-A917 WeakPolarHBondContact O-CB 3.26Å; H914-A917 PolarHBondContact O-N 2.86Å; Y915-A917 VanDerWaalsContact C-N 3.31Å; A917-N919 VanDerWaalsContact C-N 3.32Å; A917-N919 PolarHBondContact O-N 3.47Å; A917-K920 VanDerWaalsContact O-CB 3.31Å; A917-K920 WeakPolarHBondContact O-CB 3.45Å; A917-K920 PolarHBondContact O-N 2.95Å; A917-K920 VanDerWaalsContact O-N 3.08Å; A917-L921 PolarHBondContact O-N 2.83Å |
| 918 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 174.8 | -65.6 | -176 | 0 | 0 | 0 | 112 | V873 C897 H914 K920 L921 K922 L945 N948 I949 | V873-L918 HydrophobicContact CG1-CD2 4.12Å; C897-L918 HydrophobicContact CB-CD2 3.94Å; H914-L918 WeakPolarHBondContact NE2-CD1 3.42Å; H914-L918 WeakPolarHBondContact NE2-CG 3.46Å; H914-L918 WeakPolarHBondContact O-CG 3.48Å; H914-L918 PolarHBondContact O-N 3.11Å; L918-K920 VanDerWaalsContact C-N 3.3Å; L918-K920 PolarHBondContact O-N 3.39Å; L918-L921 WeakPolarHBondContact O-CB 3.35Å; L918-L921 PolarHBondContact O-N 2.82Å; L918-L921 VanDerWaalsContact O-N 3.17Å; L918-K922 PolarHBondContact O-N 3.08Å; L918-L945 HydrophobicContact CB-CD1 4.06Å; L918-L945 HydrophobicContact CD2-CD1 3.98Å; L918-N948 HydrophobicContact CD1-CB 3.81Å; L918-I949 HydrophobicContact CB-CD1 4.28Å; L918-I949 HydrophobicContact CB-CG1 3.65Å; L918-I949 HydrophobicContact CD1-CG1 4.25Å |
| 919 | N | 97.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 35% | 0.353 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.1 | -29.8 | 173.8 | -84.2 | -74.3 | 0 | 0 | 0 | 113 | Y915 K916 A917 L921 K922 | Y915-N919 WeakPolarHBondContact CD2-ND2 3.48Å; Y915-N919 WeakPolarHBondContact CE2-ND2 3.47Å; Y915-N919 WeakPolarHBondContact O-CB 3.4Å; Y915-N919 PolarHBondContact O-N 3.27Å; Y915-N919 PolarHBondContact O-ND2 3.44Å; K916-N919 PolarHBondContact O-N 2.84Å; A917-N919 VanDerWaalsContact C-N 3.32Å; A917-N919 PolarHBondContact O-N 3.47Å; N919-L921 VanDerWaalsContact C-N 3.32Å; N919-K922 WeakPolarHBondContact O-CB 3.4Å; N919-K922 PolarHBondContact O-N 3.33Å |
| 920 | K | 96.8 | Very high | 96.6 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 27% | 0.274 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 171.2 | -172.3 | -171.6 | 177.4 | 178 | 0 | 110.7 | E857 M871 K916 A917 L918 K922 Q923 | E857-K920 IonicContact OE1-NZ 2.68Å; E857-K920 PolarHBondContact OE1-NZ 2.84Å; E857-K920 IonicContact OE2-NZ 2.76Å; E857-K920 PolarHBondContact OE2-NZ 3.19Å; M871-K920 HydrophobicContact CE-CG 4.37Å; M871-K920 HydrophobicContact CG-CD 4.24Å; M871-K920 HydrophobicContact SD-CB 4.23Å; M871-K920 HydrophobicContact SD-CD 3.96Å; M871-K920 HydrophobicContact SD-CG 3.74Å; K916-K920 PolarHBondContact O-N 3.08Å; A917-K920 VanDerWaalsContact O-CB 3.31Å; A917-K920 WeakPolarHBondContact O-CB 3.45Å; A917-K920 PolarHBondContact O-N 2.95Å; A917-K920 VanDerWaalsContact O-N 3.08Å; L918-K920 VanDerWaalsContact C-N 3.3Å; L918-K920 PolarHBondContact O-N 3.39Å; K920-K922 PolarHBondContact O-N 3.27Å; K920-K922 VanDerWaalsContact O-N 3.15Å; K920-Q923 WeakPolarHBondContact O-CB 3.19Å; K920-Q923 WeakPolarHBondContact O-CG 3.5Å; K920-Q923 PolarHBondContact O-N 3.44Å |
| 921 | L | 95.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -22.4 | -179.9 | -164.8 | 57.5 | 0 | 0 | 0 | 113.6 | M871 V873 V882 F893 A917 L918 N919 Q923 W924 L945 | M871-L921 HydrophobicContact CB-CD1 4.45Å; M871-L921 VanDerWaalsContact SD-CA 3.58Å; M871-L921 HydrophobicContact SD-CB 4.24Å; M871-L921 HydrophobicContact SD-CD1 3.78Å; V873-L921 HydrophobicContact CG2-CD1 4.29Å; V873-L921 HydrophobicContact CG2-CD2 4.39Å; V882-L921 HydrophobicContact CG2-CD1 3.57Å; V882-L921 HydrophobicContact CG2-CD2 4.37Å; F893-L921 HydrophobicContact CD1-CD2 4.16Å; F893-L921 HydrophobicContact CE1-CD2 3.67Å; F893-L921 HydrophobicContact CE1-CG 4.3Å; F893-L921 HydrophobicContact CE2-CD2 4.17Å; F893-L921 HydrophobicContact CZ-CD2 3.67Å; F893-L921 HydrophobicContact CZ-CG 4.34Å; A917-L921 PolarHBondContact O-N 2.83Å; L918-L921 WeakPolarHBondContact O-CB 3.35Å; L918-L921 PolarHBondContact O-N 2.82Å; L918-L921 VanDerWaalsContact O-N 3.17Å; N919-L921 VanDerWaalsContact C-N 3.32Å; L921-Q923 PolarHBondContact O-N 2.75Å; L921-W924 HydrophobicContact CD1-CD2 3.87Å; L921-W924 HydrophobicContact CD1-CE3 3.39Å; L921-W924 HydrophobicContact CD1-CG 4.5Å; L921-W924 HydrophobicContact CD1-CH2 4.47Å; L921-W924 HydrophobicContact CD1-CZ3 3.74Å; L921-W924 WeakPolarHBondContact O-CB 3.04Å; L921-W924 PolarHBondContact O-N 2.85Å; L921-L945 HydrophobicContact CB-CD1 4.42Å; L921-L945 HydrophobicContact CB-CD2 4.3Å; L921-L945 HydrophobicContact CD2-CD1 4.12Å; L921-L945 HydrophobicContact CD2-CD2 4.44Å; L921-L945 HydrophobicContact CG-CD2 4.24Å |
| 922 | K | 95.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 23% | 0.226 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.1 | -17.7 | 171 | -73.1 | -69.6 | -172 | -178.2 | 0 | 114.8 | L918 N919 K920 W924 D925 L945 D946 I949 | L918-K922 PolarHBondContact O-N 3.08Å; N919-K922 WeakPolarHBondContact O-CB 3.4Å; N919-K922 PolarHBondContact O-N 3.33Å; K920-K922 PolarHBondContact O-N 3.27Å; K920-K922 VanDerWaalsContact O-N 3.15Å; K922-W924 PolarHBondContact O-N 3.5Å; K922-D925 WeakPolarHBondContact CD-OD1 3.34Å; K922-D925 WeakPolarHBondContact CD-OD2 3.06Å; K922-D925 IonicContact NZ-OD1 3.98Å; K922-D925 PolarHBondContact NZ-OD1 3.06Å; K922-D925 IonicContact NZ-OD2 2.88Å; K922-D925 PolarHBondContact NZ-OD2 3.37Å; K922-D925 WeakPolarHBondContact O-CB 3.47Å; K922-D925 PolarHBondContact O-N 2.68Å; K922-L945 HydrophobicContact CD-CD2 3.94Å; K922-L945 HydrophobicContact CD-CG 4.49Å; K922-L945 HydrophobicContact CG-CD2 4.33Å; K922-D946 WeakPolarHBondContact CE-OD1 3.22Å; K922-D946 VanDerWaalsContact NZ-CG 3.34Å; K922-D946 IonicContact NZ-OD1 3.71Å; K922-D946 PolarHBondContact NZ-OD1 2.8Å; K922-D946 IonicContact NZ-OD2 3.67Å; K922-I949 HydrophobicContact CD-CD1 4.23Å; K922-I949 HydrophobicContact CG-CD1 3.84Å |
| 923 | Q | 94.9 | Very high | 96.5 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 65% | 0.645 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -62.2 | -18.1 | 171.6 | -65.9 | 171.7 | 24 | 0 | 0 | 113 | M871 K920 L921 | M871-Q923 HydrophobicContact CE-CB 4.45Å; K920-Q923 WeakPolarHBondContact O-CB 3.19Å; K920-Q923 WeakPolarHBondContact O-CG 3.5Å; K920-Q923 PolarHBondContact O-N 3.44Å; L921-Q923 PolarHBondContact O-N 2.75Å |
| 924 | W | 96.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -91.8 | -2.4 | 175.3 | -68.4 | -4.9 | 0 | 0 | 0 | 113.9 | E869 M871 V882 L884 L921 K922 G926 R927 Y928 | E869-W924 HydrophobicContact CB-CZ2 4.43Å; M871-W924 HydrophobicContact CB-CH2 3.87Å; M871-W924 HydrophobicContact CB-CZ2 3.68Å; M871-W924 HydrophobicContact CE-CD2 4.45Å; M871-W924 HydrophobicContact CE-CZ2 4.38Å; V882-W924 HydrophobicContact CB-CZ3 4.35Å; V882-W924 HydrophobicContact CG2-CH2 3.84Å; V882-W924 HydrophobicContact CG2-CZ3 3.64Å; L884-W924 HydrophobicContact CB-CD2 3.93Å; L884-W924 HydrophobicContact CB-CE3 3.73Å; L884-W924 HydrophobicContact CB-CH2 3.62Å; L884-W924 HydrophobicContact CB-CZ2 3.81Å; L884-W924 HydrophobicContact CB-CZ3 3.58Å; L884-W924 HydrophobicContact CD1-CE3 4.44Å; L884-W924 HydrophobicContact CD2-CB 4.44Å; L884-W924 HydrophobicContact CD2-CD2 3.92Å; L884-W924 HydrophobicContact CD2-CE3 4.42Å; L884-W924 HydrophobicContact CD2-CG 3.93Å; L884-W924 HydrophobicContact CG-CD2 4.39Å; L884-W924 HydrophobicContact CG-CE3 4.42Å; L921-W924 HydrophobicContact CD1-CD2 3.87Å; L921-W924 HydrophobicContact CD1-CE3 3.39Å; L921-W924 HydrophobicContact CD1-CG 4.5Å; L921-W924 HydrophobicContact CD1-CH2 4.47Å; L921-W924 HydrophobicContact CD1-CZ3 3.74Å; L921-W924 WeakPolarHBondContact O-CB 3.04Å; L921-W924 PolarHBondContact O-N 2.85Å; K922-W924 PolarHBondContact O-N 3.5Å; W924-G926 PolarHBondContact O-N 3.47Å; W924-R927 WeakPolarHBondContact O-CB 3.46Å; W924-R927 PolarHBondContact O-N 3.01Å; W924-Y928 HydrophobicContact CB-CD1 4.17Å; W924-Y928 HydrophobicContact CB-CE1 3.85Å; W924-Y928 WeakPolarHBondContact O-CD1 3.03Å; W924-Y928 VanDerWaalsContact O-CE1 3.3Å; W924-Y928 WeakPolarHBondContact O-CE1 3.35Å |
| 925 | D | 94.2 | Very high | 96 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 131.1 | 179 | -82.6 | 7.8 | 0 | 0 | 0 | 110.9 | K922 R927 | K922-D925 WeakPolarHBondContact CD-OD1 3.34Å; K922-D925 WeakPolarHBondContact CD-OD2 3.06Å; K922-D925 IonicContact NZ-OD1 3.98Å; K922-D925 PolarHBondContact NZ-OD1 3.06Å; K922-D925 IonicContact NZ-OD2 2.88Å; K922-D925 PolarHBondContact NZ-OD2 3.37Å; K922-D925 WeakPolarHBondContact O-CB 3.47Å; K922-D925 PolarHBondContact O-N 2.68Å; D925-R927 VanDerWaalsContact C-N 3.31Å |
| 926 | G | 93.7 | Very high | 95.4 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 85% | 0.845 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -1.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | W924 | W924-G926 PolarHBondContact O-N 3.47Š|
| 927 | R | 97.1 | Very high | 94.9 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -98.6 | -4.9 | 175 | -56.2 | -175.4 | 64.2 | -163.6 | -3.2 | 114.1 | E869 L884 W924 D925 | E869-R927 VanDerWaalsContact CD-NH2 3.27Å; E869-R927 IonicContact OE1-CZ 2.61Å; E869-R927 IonicContact OE1-NH1 3.49Å; E869-R927 IonicContact OE1-NH2 2.79Å; E869-R927 PolarHBondContact OE1-NH2 2.9Å; E869-R927 IonicContact OE2-CZ 3.81Å; E869-R927 IonicContact OE2-NH1 3.54Å; E869-R927 PolarHBondContact OE2-NH1 3.14Å; E869-R927 IonicContact OE2-NH2 3.22Å; E869-R927 PolarHBondContact OE2-NH2 2.83Å; L884-R927 HydrophobicContact CD1-CB 4.46Å; L884-R927 HydrophobicContact CD2-CB 3.98Å; W924-R927 WeakPolarHBondContact O-CB 3.46Å; W924-R927 PolarHBondContact O-N 3.01Å; D925-R927 VanDerWaalsContact C-N 3.31Å |
| 928 | Y | 97 | Very high | 94.7 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | trans | -143.5 | 151.2 | 175.7 | 62.8 | -83.5 | 0 | 0 | 0 | 109.6 | L884 E889 A891 F893 W924 I931 I942 | L884-Y928 HydrophobicContact CD1-CD1 4.06Å; L884-Y928 HydrophobicContact CD1-CG 4.36Å; E889-Y928 CarbonylContact O-C 3.58Å; E889-Y928 WeakPolarHBondContact O-CA 3.18Å; E889-Y928 WeakPolarHBondContact O-CB 3.07Å; A891-Y928 HydrophobicContact CB-CD1 4Å; A891-Y928 HydrophobicContact CB-CD2 3.8Å; A891-Y928 HydrophobicContact CB-CE1 4.46Å; A891-Y928 HydrophobicContact CB-CE2 4.27Å; A891-Y928 HydrophobicContact CB-CG 3.67Å; F893-Y928 HydrophobicContact CZ-CE2 4.26Å; W924-Y928 HydrophobicContact CB-CD1 4.17Å; W924-Y928 HydrophobicContact CB-CE1 3.85Å; W924-Y928 WeakPolarHBondContact O-CD1 3.03Å; W924-Y928 VanDerWaalsContact O-CE1 3.3Å; W924-Y928 WeakPolarHBondContact O-CE1 3.35Å; Y928-I931 HydrophobicContact CD2-CG1 3.93Å; Y928-I931 HydrophobicContact CE2-CD1 3.89Å; Y928-I931 HydrophobicContact CE2-CG1 3.57Å; Y928-I942 HydrophobicContact CD2-CD1 3.66Å; Y928-I942 HydrophobicContact CE2-CD1 3.54Å | ||
| 929 | N | 96.5 | Very high | 94.5 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -120.8 | -3.2 | 172.6 | 61.3 | 15.6 | 0 | 0 | 0 | 112.7 | E889 | E889-N929 PolarHBondContact O-N 3.33Å; E889-N929 PolarHBondContact O-OD1 2.96Å; E889-N929 PolarHBondContact OE2-ND2 3.05Å |
| 930 | R | 96.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 47.9 Ų | 47.9 | 28% | 0.275 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.4 | 177.2 | -67.4 | 176.7 | 73.2 | -171.1 | 3.5 | 111.2 | V736 E889 V890 A891 E939 | V736-R930 PolarHBondContact O-NH1 3.26Å; E889-R930 PolarHBondContact O-N 3.05Å; V890-R930 HydrophobicContact CG2-CB 4.26Å; A891-R930 PolarHBondContact N-O 3.2Å; R930-E939 IonicContact CZ-OE1 3.99Å; R930-E939 IonicContact CZ-OE2 3.75Å; R930-E939 IonicContact NE-OE1 2.69Å; R930-E939 PolarHBondContact NE-OE1 3.05Å; R930-E939 IonicContact NH2-OE1 3.66Å; R930-E939 PolarHBondContact NH2-OE1 2.97Å; R930-E939 VanDerWaalsContact NH2-OE1 3.14Å; R930-E939 IonicContact NH2-OE2 3.66Å; R930-E939 PolarHBondContact NH2-OE2 2.79Å |
| 931 | I | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.3 | 176.2 | -58.5 | 171.9 | 0 | 0 | 0 | 108.4 | A891 F893 Y928 E939 S940 I942 L944 | A891-I931 WeakPolarHBondContact O-CA 3.37Å; F893-I931 HydrophobicContact CB-CG2 4.1Å; F893-I931 HydrophobicContact CD1-CG2 4.3Å; F893-I931 HydrophobicContact CD2-CD1 4.41Å; F893-I931 HydrophobicContact CD2-CG2 3.53Å; F893-I931 HydrophobicContact CE2-CD1 3.8Å; F893-I931 HydrophobicContact CE2-CG1 4.28Å; F893-I931 HydrophobicContact CE2-CG2 3.96Å; F893-I931 HydrophobicContact CG-CG2 3.72Å; F893-I931 HydrophobicContact CZ-CD1 4.19Å; F893-I931 HydrophobicContact CZ-CG1 4.38Å; Y928-I931 HydrophobicContact CD2-CG1 3.93Å; Y928-I931 HydrophobicContact CE2-CD1 3.89Å; Y928-I931 HydrophobicContact CE2-CG1 3.57Å; I931-E939 WeakPolarHBondContact O-CA 3.43Å; I931-S940 PolarHBondContact O-N 3.49Å; I931-I942 HydrophobicContact CD1-CD1 4.26Å; I931-I942 HydrophobicContact CG1-CD1 4.16Å; I931-L944 HydrophobicContact CD1-CB 4Å; I931-L944 HydrophobicContact CG2-CD2 3.98Å |
| 932 | I | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 152.8 | 175.9 | 61.6 | 169.5 | 0 | 0 | 0 | 111.5 | V736 I740 Y752 V890 A891 V892 F893 F938 E939 | V736-I932 HydrophobicContact CG1-CG2 4.36Å; I740-I932 HydrophobicContact CG2-CD1 4.4Å; Y752-I932 HydrophobicContact CD1-CD1 3.86Å; Y752-I932 HydrophobicContact CE1-CD1 3.48Å; Y752-I932 VanDerWaalsContact CE1-CD1 3.48Å; Y752-I932 HydrophobicContact CE1-CG1 4.43Å; Y752-I932 HydrophobicContact CE2-CD1 4.23Å; Y752-I932 HydrophobicContact CG-CD1 4.35Å; V890-I932 HydrophobicContact CG1-CD1 3.59Å; V890-I932 HydrophobicContact CG1-CG1 3.6Å; V890-I932 HydrophobicContact CG1-CG2 4.34Å; A891-I932 PolarHBondContact O-N 3.43Å; V892-I932 WeakPolarHBondContact CA-O 3.47Å; V892-I932 HydrophobicContact CB-CG1 4.22Å; V892-I932 HydrophobicContact CG1-CG1 4.28Å; V892-I932 HydrophobicContact CG2-CD1 3.73Å; V892-I932 HydrophobicContact CG2-CG1 3.79Å; F893-I932 PolarHBondContact N-O 3.48Å; I932-F938 WeakPolarHBondContact CA-O 3.03Å; I932-E939 HydrophobicContact CG2-CG 4.4Å |
| 933 | R | 94.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | trans | -145.3 | 166.8 | -173.3 | -62.7 | -174.9 | -65.8 | 89.7 | 10.8 | 110.9 | Y752 F893 C897 H935 F938 S940 | Y752-R933 PolarHBondContact OH-O 3.08Å; F893-R933 HydrophobicContact CB-CG 4.47Å; C897-R933 WeakPolarHBondContact O-CD 3.47Å; R933-H935 PolarHBondContact NH1-O 3.33Å; R933-F938 PolarHBondContact N-O 3.27Å; R933-F938 WeakPolarHBondContact O-CA 3.39Å; R933-S940 VanDerWaalsContact CZ-OG 3.3Å; R933-S940 PolarHBondContact NE-OG 3.21Å; R933-S940 PolarHBondContact NH2-OG 3.46Å | ||
| 934 | N | 93.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -86.8 | -17.3 | -173.9 | -62.6 | 63.3 | 0 | 0 | 0 | 114.7 | V749 C750 D764 H795 G894 F938 | V749-N934 CarbonylContact C-O 3.56Å; V749-N934 WeakPolarHBondContact CA-O 3.49Å; V749-N934 HydrophobicContact CG2-CB 4.21Å; C750-N934 PolarHBondContact N-O 3.01Å; C750-N934 PolarHBondContact O-ND2 3.05Å; D764-N934 PolarHBondContact OD2-ND2 3.38Å; H795-N934 PolarHBondContact ND1-ND2 3.34Å; G894-N934 WeakPolarHBondContact CA-OD1 3.48Å; N934-F938 WeakPolarHBondContact O-CD1 3.35Å; N934-F938 VanDerWaalsContact O-CE1 3.23Å; N934-F938 WeakPolarHBondContact O-CE1 3.44Å |
| 935 | H | 90.7 | Very high | 93.9 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -126.3 | 158.6 | -175.5 | -61.2 | -82.1 | 0 | 0 | 0 | 114.3 | V749 D794 H795 D895 R933 F938 | V749-H935 WeakPolarHBondContact CG2-CE1 3.26Å; D794-H935 IonicContact OD2-CE1 2.94Å; D794-H935 PolarHBondContact OD2-CE1 3Å; D794-H935 IonicContact OD2-NE2 3.59Å; D794-H935 PolarHBondContact OD2-NE2 3.29Å; H795-H935 AromaticContact CE1-NE2 3.72Å; H795-H935 AromaticContact NE2-NE2 3.36Å; H795-H935 PolarHBondContact NE2-NE2 3.01Å; D895-H935 IonicContact OD1-CD2 2.7Å; D895-H935 PolarHBondContact OD1-CD2 2.99Å; D895-H935 VanDerWaalsContact OD1-CD2 3.27Å; D895-H935 IonicContact OD1-NE2 2.71Å; D895-H935 IonicContact OD2-CD2 3.52Å; D895-H935 IonicContact OD2-NE2 3.39Å; R933-H935 PolarHBondContact NH1-O 3.33Å; H935-F938 PolarHBondContact O-N 2.61Å |
| 936 | G | 86.7 | Confident | 93.9 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 54% | 0.536 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -126.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F938 | G936-F938 VanDerWaalsContact O-CD2 3.31Å; G936-F938 WeakPolarHBondContact O-CD2 3.48Å; G936-F938 WeakPolarHBondContact O-CE2 3.29Å; G936-F938 WeakPolarHBondContact O-CZ 3.3Å; G936-F938 PolarHBondContact O-N 2.96Å |
| 937 | T | 87.4 | Confident | 94 | Very high | 103 Ų | 103 | 39.1 Ų | 39.1 | 63% | 0.632 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.6 | 176 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | E939 | T937-E939 PolarHBondContact O-N 2.83Å; T937-E939 PolarHBondContact OG1-O 2.83Å |
| 938 | F | 91.8 | Very high | 94 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 60.5 | 0.4 | -179 | -44.6 | -69.8 | 0 | 0 | 0 | 116.4 | R742 R744 C750 Y752 I932 R933 N934 H935 G936 | R742-F938 VanDerWaalsContact NE-CB 3.32Å; R742-F938 PolarHBondContact NH2-O 3.49Å; R742-F938 VanDerWaalsContact NH2-O 3.15Å; R744-F938 VanDerWaalsContact CZ-CE2 3.46Å; C750-F938 HydrophobicContact CB-CD1 4.24Å; C750-F938 HydrophobicContact CB-CE1 4.19Å; C750-F938 VanDerWaalsContact SG-CD1 3.53Å; Y752-F938 PolarHBondContact OH-O 3.45Å; I932-F938 WeakPolarHBondContact CA-O 3.03Å; R933-F938 PolarHBondContact N-O 3.27Å; R933-F938 WeakPolarHBondContact O-CA 3.39Å; N934-F938 WeakPolarHBondContact O-CD1 3.35Å; N934-F938 VanDerWaalsContact O-CE1 3.23Å; N934-F938 WeakPolarHBondContact O-CE1 3.44Å; H935-F938 PolarHBondContact O-N 2.61Å; G936-F938 VanDerWaalsContact O-CD2 3.31Å; G936-F938 WeakPolarHBondContact O-CD2 3.48Å; G936-F938 WeakPolarHBondContact O-CE2 3.29Å; G936-F938 WeakPolarHBondContact O-CZ 3.3Å; G936-F938 PolarHBondContact O-N 2.96Å |
| 939 | E | 93.1 | Very high | 94 | Very high | 67 Ų | 67 | 34.7 Ų | 34.7 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 140.2 | 175.8 | -172.8 | 155.7 | -168.4 | 0 | 0 | 107.7 | R930 I931 I932 T937 | R930-E939 IonicContact CZ-OE1 3.99Å; R930-E939 IonicContact CZ-OE2 3.75Å; R930-E939 IonicContact NE-OE1 2.69Å; R930-E939 PolarHBondContact NE-OE1 3.05Å; R930-E939 IonicContact NH2-OE1 3.66Å; R930-E939 PolarHBondContact NH2-OE1 2.97Å; R930-E939 VanDerWaalsContact NH2-OE1 3.14Å; R930-E939 IonicContact NH2-OE2 3.66Å; R930-E939 PolarHBondContact NH2-OE2 2.79Å; I931-E939 WeakPolarHBondContact O-CA 3.43Å; I932-E939 HydrophobicContact CG2-CG 4.4Å; T937-E939 PolarHBondContact O-N 2.83Å; T937-E939 PolarHBondContact OG1-O 2.83Å |
| 940 | S | 93 | Very high | 94 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.4 | 178.5 | -80.2 | 0 | 0 | 0 | 0 | 109.7 | E899 I931 R933 | E899-S940 PolarHBondContact OE1-OG 3.09Å; I931-S940 PolarHBondContact O-N 3.49Å; R933-S940 VanDerWaalsContact CZ-OG 3.3Å; R933-S940 PolarHBondContact NE-OG 3.21Å; R933-S940 PolarHBondContact NH2-OG 3.46Å |
| 941 | A | 93.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 31% | 0.306 | 18% | 0.18 | S | C | . | . | trans | -66.6 | 152.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | H943 L944 T988 | A941-H943 WeakPolarHBondContact CB-CE1 3.24Å; A941-H943 WeakPolarHBondContact CB-NE2 3.38Å; A941-H943 PolarHBondContact O-N 2.64Å; A941-L944 VanDerWaalsContact O-CB 3.3Å; A941-L944 WeakPolarHBondContact O-CB 3.28Å; A941-L944 PolarHBondContact O-N 3.3Å; A941-T988 HydrophobicContact CB-CG2 4.19Å | ||
| 942 | I | 93.7 | Very high | 93.9 | Very high | 84 Ų | 84 | 31.5 Ų | 31.5 | 43% | 0.431 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.2 | -171.3 | -162.9 | 58.6 | 0 | 0 | 0 | 114.5 | Y928 I931 L944 | Y928-I942 HydrophobicContact CD2-CD1 3.66Å; Y928-I942 HydrophobicContact CE2-CD1 3.54Å; I931-I942 HydrophobicContact CD1-CD1 4.26Å; I931-I942 HydrophobicContact CG1-CD1 4.16Å; I942-L944 VanDerWaalsContact C-N 3.27Å; I942-L944 PolarHBondContact O-N 2.82Å |
| 943 | H | 93.1 | Very high | 94 | Very high | 30 Ų | 30 | 36 Ų | 36 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 5 | 179.5 | 52.6 | -98.4 | 0 | 0 | 0 | 113.8 | A941 L945 D946 N947 K985 T988 | A941-H943 WeakPolarHBondContact CB-CE1 3.24Å; A941-H943 WeakPolarHBondContact CB-NE2 3.38Å; A941-H943 PolarHBondContact O-N 2.64Å; H943-L945 VanDerWaalsContact C-N 3.31Å; H943-L945 PolarHBondContact O-N 3.27Å; H943-D946 PolarHBondContact O-N 3.18Å; H943-N947 PolarHBondContact CD2-ND2 3.07Å; H943-N947 PolarHBondContact O-N 2.94Å; H943-N947 PolarHBondContact O-OD1 2.95Å; H943-K985 HydrophobicContact CB-CG 4.33Å; H943-K985 PolarHBondContact CD2-O 2.85Å; H943-K985 VanDerWaalsContact CD2-O 3.23Å; H943-K985 WeakPolarHBondContact NE2-CA 3.37Å; H943-K985 PolarHBondContact NE2-O 3.37Å; H943-T988 WeakPolarHBondContact NE2-CB 3.43Å; H943-T988 PolarHBondContact NE2-OG1 3.27Å |
| 944 | L | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54 | -44.2 | 179.5 | 179.7 | 70.5 | 0 | 0 | 0 | 113.1 | F893 C897 I931 A941 I942 N947 N948 T988 G989 | F893-L944 HydrophobicContact CD2-CD2 4.11Å; C897-L944 VanDerWaalsContact O-CD2 3.26Å; C897-L944 WeakPolarHBondContact O-CD2 3.33Å; I931-L944 HydrophobicContact CD1-CB 4Å; I931-L944 HydrophobicContact CG2-CD2 3.98Å; A941-L944 VanDerWaalsContact O-CB 3.3Å; A941-L944 WeakPolarHBondContact O-CB 3.28Å; A941-L944 PolarHBondContact O-N 3.3Å; I942-L944 VanDerWaalsContact C-N 3.27Å; I942-L944 PolarHBondContact O-N 2.82Å; L944-N947 PolarHBondContact O-N 2.82Å; L944-N948 PolarHBondContact O-N 3.31Å; L944-N948 PolarHBondContact O-ND2 3.38Å; L944-T988 HydrophobicContact CB-CG2 3.9Å; L944-T988 HydrophobicContact CD1-CG2 3.67Å; L944-T988 HydrophobicContact CG-CG2 4.41Å; L944-G989 VanDerWaalsContact CD1-CA 3.47Å |
| 945 | L | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | -179.4 | -179.9 | 55.5 | 0 | 0 | 0 | 111.4 | F893 L918 L921 K922 H943 N947 N948 I949 | F893-L945 HydrophobicContact CE2-CB 4.07Å; F893-L945 HydrophobicContact CZ-CB 4.45Å; F893-L945 HydrophobicContact CZ-CD2 4.45Å; L918-L945 HydrophobicContact CB-CD1 4.06Å; L918-L945 HydrophobicContact CD2-CD1 3.98Å; L921-L945 HydrophobicContact CB-CD1 4.42Å; L921-L945 HydrophobicContact CB-CD2 4.3Å; L921-L945 HydrophobicContact CD2-CD1 4.12Å; L921-L945 HydrophobicContact CD2-CD2 4.44Å; L921-L945 HydrophobicContact CG-CD2 4.24Å; K922-L945 HydrophobicContact CD-CD2 3.94Å; K922-L945 HydrophobicContact CD-CG 4.49Å; K922-L945 HydrophobicContact CG-CD2 4.33Å; H943-L945 VanDerWaalsContact C-N 3.31Å; H943-L945 PolarHBondContact O-N 3.27Å; L945-N947 VanDerWaalsContact C-N 3.29Å; L945-N947 PolarHBondContact O-N 3.32Å; L945-N948 PolarHBondContact O-N 2.88Å; L945-I949 HydrophobicContact CD1-CD1 4Å; L945-I949 HydrophobicContact CD1-CG1 4.25Å; L945-I949 HydrophobicContact CG-CD1 3.96Å; L945-I949 WeakPolarHBondContact O-CG1 3.24Å; L945-I949 PolarHBondContact O-N 3.03Å |
| 946 | D | 95.6 | Very high | 94.4 | Very high | 74 Ų | 74 | 40.1 Ų | 40.1 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.4 | -46.1 | 178.1 | -74.8 | -45 | 0 | 0 | 0 | 111.5 | K922 H943 N948 I949 E950 | K922-D946 WeakPolarHBondContact CE-OD1 3.22Å; K922-D946 VanDerWaalsContact NZ-CG 3.34Å; K922-D946 IonicContact NZ-OD1 3.71Å; K922-D946 PolarHBondContact NZ-OD1 2.8Å; K922-D946 IonicContact NZ-OD2 3.67Å; H943-D946 PolarHBondContact O-N 3.18Å; D946-N948 VanDerWaalsContact C-N 3.35Å; D946-N948 PolarHBondContact O-N 3.45Å; D946-I949 PolarHBondContact O-N 3.2Å; D946-E950 PolarHBondContact O-N 3.34Å |
| 947 | N | 95.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | -179.8 | -73.2 | 3.8 | 0 | 0 | 0 | 112.3 | H943 L944 L945 L951 K985 T988 | H943-N947 PolarHBondContact CD2-ND2 3.07Å; H943-N947 PolarHBondContact O-N 2.94Å; H943-N947 PolarHBondContact O-OD1 2.95Å; L944-N947 PolarHBondContact O-N 2.82Å; L945-N947 VanDerWaalsContact C-N 3.29Å; L945-N947 PolarHBondContact O-N 3.32Å; N947-L951 WeakPolarHBondContact O-CB 3.5Å; N947-L951 WeakPolarHBondContact O-CG 3.23Å; N947-L951 PolarHBondContact O-N 2.76Å; N947-K985 PolarHBondContact ND2-O 3.01Å; N947-T988 PolarHBondContact ND2-O 3.37Å |
| 948 | N | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.3 | -35.9 | 177.3 | -84.2 | -99.2 | 0 | 0 | 0 | 111.8 | C897 T901 L918 L944 L945 D946 L951 C952 N990 | C897-N948 VanDerWaalsContact SG-CG 3.6Å; T901-N948 PolarHBondContact OG1-OD1 2.68Å; T901-N948 VanDerWaalsContact OG1-OD1 3.08Å; L918-N948 HydrophobicContact CD1-CB 3.81Å; L944-N948 PolarHBondContact O-N 3.31Å; L944-N948 PolarHBondContact O-ND2 3.38Å; L945-N948 PolarHBondContact O-N 2.88Å; D946-N948 VanDerWaalsContact C-N 3.35Å; D946-N948 PolarHBondContact O-N 3.45Å; N948-L951 PolarHBondContact O-N 2.89Å; N948-C952 PolarHBondContact O-N 2.83Å; N948-N990 PolarHBondContact OD1-O 3.39Å |
| 949 | I | 97.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -49.5 | 172.6 | -70.2 | 171.9 | 0 | 0 | 0 | 110.2 | Y915 L918 K922 L945 D946 L951 C952 E953 | Y915-I949 HydrophobicContact CD2-CG2 4.39Å; Y915-I949 HydrophobicContact CE2-CG2 3.71Å; L918-I949 HydrophobicContact CB-CD1 4.28Å; L918-I949 HydrophobicContact CB-CG1 3.65Å; L918-I949 HydrophobicContact CD1-CG1 4.25Å; K922-I949 HydrophobicContact CD-CD1 4.23Å; K922-I949 HydrophobicContact CG-CD1 3.84Å; L945-I949 HydrophobicContact CD1-CD1 4Å; L945-I949 HydrophobicContact CD1-CG1 4.25Å; L945-I949 HydrophobicContact CG-CD1 3.96Å; L945-I949 WeakPolarHBondContact O-CG1 3.24Å; L945-I949 PolarHBondContact O-N 3.03Å; D946-I949 PolarHBondContact O-N 3.2Å; I949-L951 VanDerWaalsContact C-N 3.29Å; I949-L951 PolarHBondContact O-N 2.89Å; I949-C952 WeakPolarHBondContact O-CB 3.16Å; I949-C952 PolarHBondContact O-N 2.89Å; I949-E953 PolarHBondContact O-N 2.79Å; I949-E953 VanDerWaalsContact O-N 3.13Å |
| 950 | E | 95.9 | Very high | 95.4 | Very high | 86 Ų | 86 | 39.8 Ų | 39.8 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 177.3 | -170.4 | -168 | 150.4 | 0 | 0 | 111.8 | D946 E953 K954 | D946-E950 PolarHBondContact O-N 3.34Å; E950-E953 WeakPolarHBondContact O-CB 3.42Å; E950-E953 PolarHBondContact O-N 2.62Å; E950-K954 HydrophobicContact CG-CD 4.48Å; E950-K954 WeakPolarHBondContact O-CG 3.46Å; E950-K954 PolarHBondContact O-N 2.73Å; E950-K954 WeakPolarHBondContact OE1-CE 3.2Å; E950-K954 IonicContact OE1-NZ 3.27Å; E950-K954 PolarHBondContact OE1-NZ 2.92Å |
| 951 | L | 95.7 | Very high | 95.4 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 176 | -76.1 | 169.8 | 0 | 0 | 0 | 112.2 | N947 N948 I949 E953 K954 V955 A975 K976 I991 | N947-L951 WeakPolarHBondContact O-CB 3.5Å; N947-L951 WeakPolarHBondContact O-CG 3.23Å; N947-L951 PolarHBondContact O-N 2.76Å; N948-L951 PolarHBondContact O-N 2.89Å; I949-L951 VanDerWaalsContact C-N 3.29Å; I949-L951 PolarHBondContact O-N 2.89Å; L951-E953 VanDerWaalsContact C-N 3.3Å; L951-E953 PolarHBondContact O-N 2.85Å; L951-K954 PolarHBondContact O-N 3.38Å; L951-V955 WeakPolarHBondContact O-CB 3.46Å; L951-V955 VanDerWaalsContact O-CG2 3.27Å; L951-V955 WeakPolarHBondContact O-CG2 3.5Å; L951-V955 PolarHBondContact O-N 3.4Å; L951-A975 HydrophobicContact CD2-CB 3.96Å; L951-K976 HydrophobicContact CD2-CB 4.13Å; L951-I991 HydrophobicContact CB-CD1 3.86Å; L951-I991 HydrophobicContact CB-CG1 4.25Å; L951-I991 HydrophobicContact CD1-CG1 4.48Å |
| 952 | C | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | 172.2 | -80.5 | 0 | 0 | 0 | 0 | 111.3 | I911 Y915 N948 I949 K954 V955 L956 I991 | I911-C952 HydrophobicContact CG2-CB 4.18Å; Y915-C952 HydrophobicContact CD2-CB 3.48Å; Y915-C952 VanDerWaalsContact CD2-CB 3.48Å; Y915-C952 HydrophobicContact CE2-CB 4.39Å; Y915-C952 HydrophobicContact CG-CB 4.04Å; N948-C952 PolarHBondContact O-N 2.83Å; I949-C952 WeakPolarHBondContact O-CB 3.16Å; I949-C952 PolarHBondContact O-N 2.89Å; C952-K954 PolarHBondContact O-N 2.83Å; C952-V955 PolarHBondContact O-N 3.33Å; C952-L956 WeakPolarHBondContact O-CB 3.39Å; C952-L956 VanDerWaalsContact O-CG 3.23Å; C952-L956 WeakPolarHBondContact O-CG 3.21Å; C952-L956 PolarHBondContact O-N 2.97Å; C952-I991 HydrophobicContact CB-CD1 4.45Å; C952-I991 WeakPolarHBondContact SG-CD1 3.38Å |
| 953 | E | 97.2 | Very high | 95.5 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 176.2 | -64.7 | 178.4 | 152.9 | 0 | 0 | 111.7 | Y915 I949 E950 L951 L956 A957 | Y915-E953 HydrophobicContact CD2-CG 4.49Å; Y915-E953 HydrophobicContact CE2-CG 3.61Å; Y915-E953 PolarHBondContact OH-OE1 3.24Å; I949-E953 PolarHBondContact O-N 2.79Å; I949-E953 VanDerWaalsContact O-N 3.13Å; E950-E953 WeakPolarHBondContact O-CB 3.42Å; E950-E953 PolarHBondContact O-N 2.62Å; L951-E953 VanDerWaalsContact C-N 3.3Å; L951-E953 PolarHBondContact O-N 2.85Å; E953-L956 PolarHBondContact O-N 3.38Å; E953-A957 WeakPolarHBondContact O-CB 3.4Å; E953-A957 PolarHBondContact O-N 2.96Å |
| 954 | K | 96.7 | Very high | 95.5 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 34% | 0.335 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.3 | -75.3 | 172.1 | 169.2 | 168.2 | 0 | 112.3 | E950 L951 C952 A957 A958 S959 D960 | E950-K954 HydrophobicContact CG-CD 4.48Å; E950-K954 WeakPolarHBondContact O-CG 3.46Å; E950-K954 PolarHBondContact O-N 2.73Å; E950-K954 WeakPolarHBondContact OE1-CE 3.2Å; E950-K954 IonicContact OE1-NZ 3.27Å; E950-K954 PolarHBondContact OE1-NZ 2.92Å; L951-K954 PolarHBondContact O-N 3.38Å; C952-K954 PolarHBondContact O-N 2.83Å; K954-A957 CarbonylContact O-C 3.54Å; K954-A957 PolarHBondContact O-N 2.94Å; K954-A958 PolarHBondContact O-N 3.36Å; K954-S959 WeakPolarHBondContact CA-OG 3.4Å; K954-S959 PolarHBondContact O-N 2.94Å; K954-S959 PolarHBondContact O-OG 2.96Å; K954-D960 HydrophobicContact CB-CB 4.11Å; K954-D960 PolarHBondContact O-N 3.48Å |
| 955 | V | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 178.4 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | I911 L951 C952 A957 A958 D960 A975 Y993 L998 | I911-V955 HydrophobicContact CG1-CG1 4.08Å; I911-V955 HydrophobicContact CG2-CB 4.36Å; I911-V955 HydrophobicContact CG2-CG1 4.04Å; L951-V955 WeakPolarHBondContact O-CB 3.46Å; L951-V955 VanDerWaalsContact O-CG2 3.27Å; L951-V955 WeakPolarHBondContact O-CG2 3.5Å; L951-V955 PolarHBondContact O-N 3.4Å; C952-V955 PolarHBondContact O-N 3.33Å; V955-A957 VanDerWaalsContact C-N 3.3Å; V955-A957 PolarHBondContact O-N 3.28Å; V955-A958 PolarHBondContact O-N 2.94Å; V955-D960 HydrophobicContact CG2-CB 3.84Å; V955-A975 HydrophobicContact CG2-CB 3.5Å; V955-Y993 HydrophobicContact CB-CE1 4.42Å; V955-Y993 HydrophobicContact CG1-CD1 4.18Å; V955-Y993 HydrophobicContact CG1-CD2 3.92Å; V955-Y993 HydrophobicContact CG1-CE1 3.85Å; V955-Y993 HydrophobicContact CG1-CE2 3.58Å; V955-Y993 HydrophobicContact CG1-CG 4.22Å; V955-Y993 HydrophobicContact CG2-CD1 4.13Å; V955-Y993 HydrophobicContact CG2-CE1 3.64Å; V955-L998 HydrophobicContact CG1-CD2 3.37Å |
| 956 | L | 96.1 | Very high | 95 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 38% | 0.382 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 177.6 | -69.8 | 169.3 | 0 | 0 | 0 | 112.6 | I911 A912 Y915 C952 E953 A958 L998 | I911-L956 HydrophobicContact CB-CD2 4.29Å; I911-L956 HydrophobicContact CG2-CD1 4.31Å; I911-L956 HydrophobicContact CG2-CD2 4.08Å; I911-L956 HydrophobicContact CG2-CG 3.86Å; A912-L956 HydrophobicContact CB-CD2 4.09Å; Y915-L956 HydrophobicContact CD1-CD1 4.4Å; Y915-L956 HydrophobicContact CG-CD1 4.38Å; C952-L956 WeakPolarHBondContact O-CB 3.39Å; C952-L956 VanDerWaalsContact O-CG 3.23Å; C952-L956 WeakPolarHBondContact O-CG 3.21Å; C952-L956 PolarHBondContact O-N 2.97Å; E953-L956 PolarHBondContact O-N 3.38Å; L956-A958 VanDerWaalsContact C-N 3.26Å; L956-L998 VanDerWaalsContact CD2-OXT 3.24Å; L956-L998 WeakPolarHBondContact CD2-OXT 3.49Å |
| 957 | A | 96.1 | Very high | 94.4 | Very high | 72 Ų | 72 | 53.3 Ų | 53.3 | 60% | 0.595 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E953 K954 V955 S959 | E953-A957 WeakPolarHBondContact O-CB 3.4Å; E953-A957 PolarHBondContact O-N 2.96Å; K954-A957 CarbonylContact O-C 3.54Å; K954-A957 PolarHBondContact O-N 2.94Å; V955-A957 VanDerWaalsContact C-N 3.3Å; V955-A957 PolarHBondContact O-N 3.28Å; A957-S959 PolarHBondContact O-N 3.44Å |
| 958 | A | 93.1 | Very high | 93.6 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K954 V955 L956 | K954-A958 PolarHBondContact O-N 3.36Å; V955-A958 PolarHBondContact O-N 2.94Å; L956-A958 VanDerWaalsContact C-N 3.26Å |
| 959 | S | 95.3 | Very high | 92.8 | Very high | 78 Ų | 78 | 61.9 Ų | 61.9 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | trans | -112.5 | 7.1 | 178.5 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | K954 A957 | K954-S959 WeakPolarHBondContact CA-OG 3.4Å; K954-S959 PolarHBondContact O-N 2.94Å; K954-S959 PolarHBondContact O-OG 2.96Å; A957-S959 PolarHBondContact O-N 3.44Å | ||
| 960 | D | 95 | Very high | 92.4 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 10% | 0.096 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -69.6 | 167.7 | 174 | 73.8 | -69.1 | 0 | 0 | 0 | 112.3 | K954 V955 R962 A975 Y993 | K954-D960 HydrophobicContact CB-CB 4.11Å; K954-D960 PolarHBondContact O-N 3.48Å; V955-D960 HydrophobicContact CG2-CB 3.84Å; D960-R962 PolarHBondContact O-N 3.46Å; D960-R962 IonicContact OD1-CZ 3.74Å; D960-R962 IonicContact OD1-NE 3.42Å; D960-R962 PolarHBondContact OD1-NE 3.36Å; D960-R962 IonicContact OD1-NH2 3.11Å; D960-R962 PolarHBondContact OD1-NH2 3.06Å; D960-R962 VanDerWaalsContact OD1-NH2 3.11Å; D960-R962 WeakPolarHBondContact OD2-CA 3.38Å; D960-R962 WeakPolarHBondContact OD2-CB 3.41Å; D960-R962 PolarHBondContact OD2-N 3.42Å; D960-A975 HydrophobicContact CB-CB 4.25Å; D960-Y993 PolarHBondContact OD1-OH 3.04Å; D960-Y993 PolarHBondContact OD2-OH 3.4Å; D960-Y993 VanDerWaalsContact OD2-OH 3.05Å |
| 961 | A | 93 | Very high | 92.2 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 40% | 0.397 | 38% | 0.382 | S | S | . | . | trans | -67.5 | -27.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L963 A975 D977 | A961-L963 VanDerWaalsContact C-N 3.33Å; A961-L963 HydrophobicContact CB-CG 4.36Å; A961-L963 PolarHBondContact O-N 3.04Å; A961-A975 WeakPolarHBondContact CB-O 3.37Å; A961-A975 PolarHBondContact N-O 2.96Å; A961-D977 HydrophobicContact CB-CB 3.93Å | ||
| 962 | R | 94.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | trans | 47.6 | 51.4 | 178.1 | -162.1 | 171 | -64.2 | -166.1 | -2.1 | 113.3 | D960 P964 F973 A974 Y993 | D960-R962 PolarHBondContact O-N 3.46Å; D960-R962 IonicContact OD1-CZ 3.74Å; D960-R962 IonicContact OD1-NE 3.42Å; D960-R962 PolarHBondContact OD1-NE 3.36Å; D960-R962 IonicContact OD1-NH2 3.11Å; D960-R962 PolarHBondContact OD1-NH2 3.06Å; D960-R962 VanDerWaalsContact OD1-NH2 3.11Å; D960-R962 WeakPolarHBondContact OD2-CA 3.38Å; D960-R962 WeakPolarHBondContact OD2-CB 3.41Å; D960-R962 PolarHBondContact OD2-N 3.42Å; R962-P964 WeakPolarHBondContact O-CD 3.31Å; R962-F973 HydrophobicContact CG-CB 3.94Å; R962-F973 HydrophobicContact CG-CD1 3.43Å; R962-F973 VanDerWaalsContact CG-CD1 3.43Å; R962-F973 HydrophobicContact CG-CD2 4.49Å; R962-F973 HydrophobicContact CG-CE1 4.03Å; R962-F973 HydrophobicContact CG-CG 3.69Å; R962-A974 PolarHBondContact N-O 2.85Å; R962-Y993 PolarHBondContact NE-OH 3.28Å | ||
| 963 | L | 93.5 | Very high | 92.1 | Very high | 63 Ų | 63 | 69.3 Ų | 69.3 | 33% | 0.33 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 121.9 | 179.1 | -71.8 | -176.1 | 0 | 0 | 0 | 110.5 | A961 I965 F973 A974 D977 | A961-L963 VanDerWaalsContact C-N 3.33Å; A961-L963 HydrophobicContact CB-CG 4.36Å; A961-L963 PolarHBondContact O-N 3.04Å; L963-I965 PolarHBondContact O-N 2.58Å; L963-F973 CarbonylContact O-C 3.57Å; L963-F973 VanDerWaalsContact O-CA 3.26Å; L963-F973 WeakPolarHBondContact O-CA 3.31Å; L963-A974 HydrophobicContact CB-CB 4.35Å; L963-A974 PolarHBondContact N-O 3.35Å; L963-A974 PolarHBondContact O-N 3.08Å; L963-D977 VanDerWaalsContact CD1-CA 3.44Å; L963-D977 HydrophobicContact CD1-CB 3.53Å; L963-D977 HydrophobicContact CD2-CB 4.46Å; L963-D977 HydrophobicContact CG-CB 4.07Å |
| 964 | P | 93.5 | Very high | 92.1 | Very high | 110 Ų | 110 | 65.1 Ų | 65.1 | 71% | 0.714 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 129.8 | 174.4 | -21.4 | 32.7 | 0 | 0 | 0 | 111 | R962 F973 | R962-P964 WeakPolarHBondContact O-CD 3.31Å; P964-F973 HydrophobicContact CB-CE1 4.46Å; P964-F973 HydrophobicContact CG-CD1 4.39Å; P964-F973 HydrophobicContact CG-CE1 4.18Å |
| 965 | I | 92.8 | Very high | 92 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 35% | 0.354 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 154.3 | 176.9 | -166.8 | 170.7 | 0 | 0 | 0 | 109.2 | L963 V967 A972 A974 V992 | L963-I965 PolarHBondContact O-N 2.58Å; I965-V967 HydrophobicContact CD1-CG2 4.01Å; I965-V967 HydrophobicContact CG1-CG2 3.97Å; I965-V967 HydrophobicContact CG2-CG2 4.22Å; I965-A972 HydrophobicContact CG2-CB 4.25Å; I965-A972 PolarHBondContact N-O 3.06Å; I965-A972 CarbonylContact O-C 3.55Å; I965-A972 PolarHBondContact O-N 3.17Å; I965-A974 HydrophobicContact CG2-CB 4.28Å; I965-V992 HydrophobicContact CG2-CG1 3.78Å |
| 966 | E | 87.5 | Confident | 91.8 | Very high | 126 Ų | 126 | 62.5 Ų | 62.5 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.8 | 172.3 | -167.5 | 170.7 | 151 | 0 | 0 | 108.7 | V970 K971 | E966-V970 WeakPolarHBondContact CA-O 3.45Å; E966-K971 HydrophobicContact CG-CG 4.5Å |
| 967 | V | 84 | Confident | 91.4 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 120.5 | -175.1 | 177.8 | 0 | 0 | 0 | 0 | 108 | L902 I965 G969 V970 V992 | L902-V967 HydrophobicContact CD1-CG1 4.04Å; L902-V967 HydrophobicContact CD2-CG1 3.99Å; I965-V967 HydrophobicContact CD1-CG2 4.01Å; I965-V967 HydrophobicContact CG1-CG2 3.97Å; I965-V967 HydrophobicContact CG2-CG2 4.22Å; V967-G969 PolarHBondContact O-N 3.44Å; V967-V970 PolarHBondContact N-O 2.76Å; V967-V970 WeakPolarHBondContact O-CB 3.5Å; V967-V970 PolarHBondContact O-N 3.15Å; V967-V992 HydrophobicContact CG2-CG1 4.13Å |
| 968 | H | 78.2 | Confident | 90.7 | Very high | 134 Ų | 134 | 61.5 Ų | 61.5 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 41.1 | -172.1 | -64.8 | -101.6 | 0 | 0 | 0 | 113.5 | E827 F905 V970 | E827-H968 IonicContact OE2-ND1 2.7Å; F905-H968 HydrophobicContact CE1-CB 4.03Å; F905-H968 HydrophobicContact CZ-CB 4.2Å; F905-H968 AromaticContact CZ-CD2 3.99Å; H968-V970 PolarHBondContact O-N 3.49Å |
| 969 | G | 80.6 | Confident | 89.9 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 1.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V967 | V967-G969 PolarHBondContact O-N 3.44Š|
| 970 | V | 87.2 | Confident | 88.9 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.4 | 175 | -176 | 0 | 0 | 0 | 0 | 109.2 | C904 F905 E966 V967 H968 A972 T994 | C904-V970 HydrophobicContact CB-CG1 4.25Å; F905-V970 HydrophobicContact CD1-CG2 4.14Å; F905-V970 HydrophobicContact CE1-CG2 4.1Å; E966-V970 WeakPolarHBondContact CA-O 3.45Å; V967-V970 PolarHBondContact N-O 2.76Å; V967-V970 WeakPolarHBondContact O-CB 3.5Å; V967-V970 PolarHBondContact O-N 3.15Å; H968-V970 PolarHBondContact O-N 3.49Å; V970-A972 PolarHBondContact O-N 3.06Å; V970-T994 HydrophobicContact CG1-CG2 3.77Å |
| 971 | K | 92.1 | Very high | 87.7 | Confident | 169 Ų | 169 | 77.1 Ų | 77.1 | 74% | 0.735 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 111.3 | 171.3 | -66.5 | -177.2 | -179.5 | -178.9 | 0 | 109.4 | E966 | E966-K971 HydrophobicContact CG-CG 4.5Å |
| 972 | A | 96 | Very high | 87 | Confident | 3 Ų | 3 | 77 Ų | 77 | 3% | 0.025 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | -175.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111 | C904 I965 V970 V992 Y993 T994 | C904-A972 HydrophobicContact CB-CB 3.97Å; I965-A972 HydrophobicContact CG2-CB 4.25Å; I965-A972 PolarHBondContact N-O 3.06Å; I965-A972 CarbonylContact O-C 3.55Å; I965-A972 PolarHBondContact O-N 3.17Å; V970-A972 PolarHBondContact O-N 3.06Å; A972-V992 HydrophobicContact CB-CG1 3.61Å; A972-Y993 CarbonylContact C-O 3.59Å; A972-Y993 WeakPolarHBondContact CA-O 3.2Å; A972-Y993 WeakPolarHBondContact CB-O 3.36Å; A972-T994 HydrophobicContact CB-CG2 4.1Å |
| 973 | F | 96.3 | Very high | 86.3 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 22% | 0.219 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.2 | 176.2 | -60.3 | -81.7 | 0 | 0 | 0 | 110.1 | R962 L963 P964 V992 Y993 L995 | R962-F973 HydrophobicContact CG-CB 3.94Å; R962-F973 HydrophobicContact CG-CD1 3.43Å; R962-F973 VanDerWaalsContact CG-CD1 3.43Å; R962-F973 HydrophobicContact CG-CD2 4.49Å; R962-F973 HydrophobicContact CG-CE1 4.03Å; R962-F973 HydrophobicContact CG-CG 3.69Å; L963-F973 CarbonylContact O-C 3.57Å; L963-F973 VanDerWaalsContact O-CA 3.26Å; L963-F973 WeakPolarHBondContact O-CA 3.31Å; P964-F973 HydrophobicContact CB-CE1 4.46Å; P964-F973 HydrophobicContact CG-CD1 4.39Å; P964-F973 HydrophobicContact CG-CE1 4.18Å; F973-V992 CarbonylContact O-C 3.55Å; F973-V992 VanDerWaalsContact O-CA 3.3Å; F973-V992 WeakPolarHBondContact O-CA 3.38Å; F973-Y993 HydrophobicContact CB-CD1 4.4Å; F973-Y993 HydrophobicContact CB-CE1 3.93Å; F973-Y993 PolarHBondContact N-O 3.45Å; F973-Y993 VanDerWaalsContact O-CD1 3.24Å; F973-Y993 WeakPolarHBondContact O-CD1 3.35Å; F973-Y993 PolarHBondContact O-N 2.85Å; F973-L995 HydrophobicContact CD2-CD2 4.4Å; F973-L995 HydrophobicContact CD2-CG 4.3Å; F973-L995 HydrophobicContact CE2-CD1 4.09Å; F973-L995 HydrophobicContact CE2-CD2 4.25Å; F973-L995 HydrophobicContact CE2-CG 3.82Å |
| 974 | A | 96 | Very high | 85.3 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 5% | 0.05 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R962 L963 I965 K976 V992 | R962-A974 PolarHBondContact N-O 2.85Å; L963-A974 HydrophobicContact CB-CB 4.35Å; L963-A974 PolarHBondContact N-O 3.35Å; L963-A974 PolarHBondContact O-N 3.08Å; I965-A974 HydrophobicContact CG2-CB 4.28Å; A974-K976 VanDerWaalsContact C-N 3.28Å; A974-K976 PolarHBondContact O-N 2.94Å; A974-V992 HydrophobicContact CB-CG2 4.45Å |
| 975 | A | 95.2 | Very high | 84.7 | Confident | 2 Ų | 2 | 82.5 Ų | 82.5 | 2% | 0.017 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -68.1 | -25.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L951 V955 D960 A961 N990 I991 Y993 | L951-A975 HydrophobicContact CD2-CB 3.96Å; V955-A975 HydrophobicContact CG2-CB 3.5Å; D960-A975 HydrophobicContact CB-CB 4.25Å; A961-A975 WeakPolarHBondContact CB-O 3.37Å; A961-A975 PolarHBondContact N-O 2.96Å; A975-N990 PolarHBondContact N-OD1 3.13Å; A975-I991 HydrophobicContact CB-CB 4.24Å; A975-I991 WeakPolarHBondContact CB-O 3.23Å; A975-I991 PolarHBondContact N-O 3.21Å; A975-Y993 HydrophobicContact CB-CE1 4.33Å |
| 976 | K | 91.4 | Very high | 84 | Confident | 22 Ų | 22 | 83.7 Ų | 83.7 | 10% | 0.096 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -116.6 | 138.3 | -179.4 | -169.7 | -179.2 | -75.3 | 175.4 | 0 | 111.8 | L951 A974 R978 M982 E986 T988 G989 N990 | L951-K976 HydrophobicContact CD2-CB 4.13Å; A974-K976 VanDerWaalsContact C-N 3.28Å; A974-K976 PolarHBondContact O-N 2.94Å; K976-R978 HydrophobicContact CD-CG 4.45Å; K976-M982 HydrophobicContact CD-CE 3.78Å; K976-M982 HydrophobicContact CD-SD 4.16Å; K976-M982 HydrophobicContact CG-CE 3.91Å; K976-M982 HydrophobicContact CG-SD 4.26Å; K976-E986 WeakPolarHBondContact CE-O 3.43Å; K976-E986 PolarHBondContact NZ-O 3.23Å; K976-T988 PolarHBondContact NZ-O 3.05Å; K976-G989 WeakPolarHBondContact CE-O 3.48Å; K976-G989 PolarHBondContact NZ-O 3.32Å; K976-N990 WeakPolarHBondContact CB-OD1 3.19Å; K976-N990 PolarHBondContact N-OD1 3.31Å |
| 977 | D | 88.3 | Confident | 83.7 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 12% | 0.123 | 41% | 0.409 | C | S | . | . | trans | -93.1 | 99.5 | 170.8 | -179.4 | 4.2 | 0 | 0 | 0 | 111.1 | A961 L963 S979 R980 | A961-D977 HydrophobicContact CB-CB 3.93Å; L963-D977 VanDerWaalsContact CD1-CA 3.44Å; L963-D977 HydrophobicContact CD1-CB 3.53Å; L963-D977 HydrophobicContact CD2-CB 4.46Å; L963-D977 HydrophobicContact CG-CB 4.07Å; D977-S979 VanDerWaalsContact C-N 3.27Å; D977-S979 PolarHBondContact O-N 3.22Å; D977-S979 WeakPolarHBondContact OD1-CB 3.19Å; D977-S979 PolarHBondContact OD1-N 3.26Å; D977-S979 PolarHBondContact OD1-OG 3.11Å; D977-R980 IonicContact OD2-CZ 3.45Å; D977-R980 IonicContact OD2-NE 2.73Å; D977-R980 PolarHBondContact OD2-NE 3.47Å; D977-R980 IonicContact OD2-NH2 2.62Å | ||
| 978 | R | 82 | Confident | 84 | Confident | 101 Ų | 101 | 82 Ų | 82 | 38% | 0.381 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -0.7 | 179.9 | -67.7 | -178.7 | 170.6 | -162.6 | -12.6 | 114.1 | E899 K976 R980 Q987 G989 | E899-R978 VanDerWaalsContact O-CZ 3.27Å; E899-R978 PolarHBondContact O-NH1 3.37Å; E899-R978 PolarHBondContact O-NH2 2.61Å; E899-R978 IonicContact OE2-CZ 3.12Å; E899-R978 IonicContact OE2-NH1 2.68Å; E899-R978 IonicContact OE2-NH2 2.74Å; E899-R978 PolarHBondContact OE2-NH2 2.98Å; K976-R978 HydrophobicContact CD-CG 4.45Å; R978-R980 VanDerWaalsContact C-N 3.28Å; R978-Q987 PolarHBondContact NH2-O 3.23Å; R978-G989 VanDerWaalsContact NH2-C 3.28Å; R978-G989 PolarHBondContact NH2-O 3.05Å |
| 979 | S | 76.7 | Confident | 84.6 | Confident | 106 Ų | 106 | 75.7 Ų | 75.7 | 74% | 0.741 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -12.5 | 177 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | D977 | D977-S979 VanDerWaalsContact C-N 3.27Å; D977-S979 PolarHBondContact O-N 3.22Å; D977-S979 WeakPolarHBondContact OD1-CB 3.19Å; D977-S979 PolarHBondContact OD1-N 3.26Å; D977-S979 PolarHBondContact OD1-OG 3.11Å |
| 980 | R | 74.3 | Confident | 85.3 | Confident | 176 Ų | 176 | 73 Ų | 73 | 66% | 0.664 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -85.8 | 150.5 | 178.7 | -60.7 | -177.4 | -173 | -163.2 | -3.2 | 110.5 | D977 R978 M982 | D977-R980 IonicContact OD2-CZ 3.45Å; D977-R980 IonicContact OD2-NE 2.73Å; D977-R980 PolarHBondContact OD2-NE 3.47Å; D977-R980 IonicContact OD2-NH2 2.62Å; R978-R980 VanDerWaalsContact C-N 3.28Å; R980-M982 WeakPolarHBondContact O-CG 3.28Å; R980-M982 PolarHBondContact O-N 3.42Å; R980-M982 VanDerWaalsContact O-N 3.14Å |
| 981 | E | 69 | Low | 85.7 | Confident | 206 Ų | 206 | 71.1 Ų | 71.1 | 96% | 0.963 | 34% | 0.336 | S | S | * | . | trans | -60.2 | 118.9 | 167.1 | -82.9 | -175.5 | 157.2 | 0 | 0 | 109.1 | ||||
| 982 | M | 78.1 | Confident | 86 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | trans | -132 | 146.1 | -179.8 | -65.8 | -177.3 | 94.6 | 0 | 0 | 107.8 | K976 R980 E986 Q987 | K976-M982 HydrophobicContact CD-CE 3.78Å; K976-M982 HydrophobicContact CD-SD 4.16Å; K976-M982 HydrophobicContact CG-CE 3.91Å; K976-M982 HydrophobicContact CG-SD 4.26Å; R980-M982 WeakPolarHBondContact O-CG 3.28Å; R980-M982 PolarHBondContact O-N 3.42Å; R980-M982 VanDerWaalsContact O-N 3.14Å; M982-E986 HydrophobicContact CB-CB 3.88Å; M982-E986 HydrophobicContact CE-CB 3.8Å; M982-E986 HydrophobicContact CG-CB 4.48Å; M982-Q987 HydrophobicContact CB-CG 3.74Å; M982-Q987 PolarHBondContact O-NE2 2.89Å | ||
| 983 | T | 79.6 | Confident | 86 | Confident | 82 Ų | 82 | 63 Ų | 63 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | trans | -62.3 | 156.8 | 170.1 | 61.1 | 0 | 0 | 0 | 0 | 110.5 | K985 E986 Q987 | T983-K985 PolarHBondContact O-N 3.17Å; T983-K985 VanDerWaalsContact O-N 3.14Å; T983-E986 WeakPolarHBondContact CB-OE2 3.06Å; T983-E986 WeakPolarHBondContact CG2-OE2 3.35Å; T983-E986 PolarHBondContact N-OE2 3.34Å; T983-E986 WeakPolarHBondContact O-CA 3.4Å; T983-E986 WeakPolarHBondContact O-CB 3.12Å; T983-E986 PolarHBondContact O-N 3.39Å; T983-E986 WeakPolarHBondContact OG1-CB 3.41Å; T983-E986 WeakPolarHBondContact OG1-CG 3.27Å; T983-E986 PolarHBondContact OG1-N 3.34Å; T983-E986 PolarHBondContact OG1-OE2 2.75Å; T983-Q987 WeakPolarHBondContact O-CG 3.2Å; T983-Q987 PolarHBondContact O-N 2.98Å | ||
| 984 | E | 73.4 | Confident | 86 | Confident | 158 Ų | 158 | 61.2 Ų | 61.2 | 74% | 0.738 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -52.4 | -38.4 | 176.9 | -169.6 | 178.4 | -172.4 | 0 | 0 | 111.8 | E986 Q987 T988 | E984-E986 PolarHBondContact O-N 3.43Å; E984-Q987 PolarHBondContact O-N 3.5Å; E984-T988 PolarHBondContact O-OG1 2.71Å |
| 985 | K | 79.9 | Confident | 85.9 | Confident | 127 Ų | 127 | 65.3 Ų | 65.3 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 173.9 | -172.6 | -179.3 | 176.6 | -175.1 | 0 | 112.9 | H943 N947 T983 | H943-K985 HydrophobicContact CB-CG 4.33Å; H943-K985 PolarHBondContact CD2-O 2.85Å; H943-K985 VanDerWaalsContact CD2-O 3.23Å; H943-K985 WeakPolarHBondContact NE2-CA 3.37Å; H943-K985 PolarHBondContact NE2-O 3.37Å; N947-K985 PolarHBondContact ND2-O 3.01Å; T983-K985 PolarHBondContact O-N 3.17Å; T983-K985 VanDerWaalsContact O-N 3.14Å |
| 986 | E | 78.8 | Confident | 85.8 | Confident | 94 Ų | 94 | 71.2 Ų | 71.2 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -77.1 | -26.3 | -177.1 | -73 | 166.1 | 140 | 0 | 0 | 112.7 | K976 M982 T983 E984 | K976-E986 WeakPolarHBondContact CE-O 3.43Å; K976-E986 PolarHBondContact NZ-O 3.23Å; M982-E986 HydrophobicContact CB-CB 3.88Å; M982-E986 HydrophobicContact CE-CB 3.8Å; M982-E986 HydrophobicContact CG-CB 4.48Å; T983-E986 WeakPolarHBondContact CB-OE2 3.06Å; T983-E986 WeakPolarHBondContact CG2-OE2 3.35Å; T983-E986 PolarHBondContact N-OE2 3.34Å; T983-E986 WeakPolarHBondContact O-CA 3.4Å; T983-E986 WeakPolarHBondContact O-CB 3.12Å; T983-E986 PolarHBondContact O-N 3.39Å; T983-E986 WeakPolarHBondContact OG1-CB 3.41Å; T983-E986 WeakPolarHBondContact OG1-CG 3.27Å; T983-E986 PolarHBondContact OG1-N 3.34Å; T983-E986 PolarHBondContact OG1-OE2 2.75Å; E984-E986 PolarHBondContact O-N 3.43Å |
| 987 | Q | 81 | Confident | 86 | Confident | 105 Ų | 105 | 71.2 Ų | 71.2 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | -178.7 | -72.2 | 177.9 | 14.4 | 0 | 0 | 112.3 | R978 M982 T983 E984 | R978-Q987 PolarHBondContact NH2-O 3.23Å; M982-Q987 HydrophobicContact CB-CG 3.74Å; M982-Q987 PolarHBondContact O-NE2 2.89Å; T983-Q987 WeakPolarHBondContact O-CG 3.2Å; T983-Q987 PolarHBondContact O-N 2.98Å; E984-Q987 PolarHBondContact O-N 3.5Å |
| 988 | T | 89.7 | Confident | 86.1 | Confident | 13 Ų | 13 | 74 Ų | 74 | 8% | 0.08 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -61.5 | 133.2 | -175 | -53.2 | 0 | 0 | 0 | 0 | 112.8 | E899 A941 H943 L944 N947 K976 E984 | E899-T988 WeakPolarHBondContact OE1-CG2 3.3Å; A941-T988 HydrophobicContact CB-CG2 4.19Å; H943-T988 WeakPolarHBondContact NE2-CB 3.43Å; H943-T988 PolarHBondContact NE2-OG1 3.27Å; L944-T988 HydrophobicContact CB-CG2 3.9Å; L944-T988 HydrophobicContact CD1-CG2 3.67Å; L944-T988 HydrophobicContact CG-CG2 4.41Å; N947-T988 PolarHBondContact ND2-O 3.37Å; K976-T988 PolarHBondContact NZ-O 3.05Å; E984-T988 PolarHBondContact O-OG1 2.71Å |
| 989 | G | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | 79.7 | 146.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G898 E899 L944 K976 R978 | G898-G989 WeakPolarHBondContact O-CA 3.35Å; E899-G989 PolarHBondContact OE2-N 3.41Å; L944-G989 VanDerWaalsContact CD1-CA 3.47Å; K976-G989 WeakPolarHBondContact CE-O 3.48Å; K976-G989 PolarHBondContact NZ-O 3.32Å; R978-G989 VanDerWaalsContact NH2-C 3.28Å; R978-G989 PolarHBondContact NH2-O 3.05Å | ||
| 990 | N | 95 | Very high | 86.8 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | trans | -160.4 | 159.7 | 171.9 | -159 | 4.2 | 0 | 0 | 0 | 109.7 | G898 E899 N900 T901 N948 A975 K976 | G898-N990 PolarHBondContact O-N 3.24Å; E899-N990 WeakPolarHBondContact O-CB 3.41Å; E899-N990 PolarHBondContact O-N 2.88Å; E899-N990 VanDerWaalsContact O-N 3.16Å; N900-N990 WeakPolarHBondContact CA-O 3.38Å; N900-N990 WeakPolarHBondContact OD1-CB 3.35Å; N900-N990 PolarHBondContact OD1-ND2 3.3Å; T901-N990 PolarHBondContact N-O 2.79Å; N948-N990 PolarHBondContact OD1-O 3.39Å; A975-N990 PolarHBondContact N-OD1 3.13Å; K976-N990 WeakPolarHBondContact CB-OD1 3.19Å; K976-N990 PolarHBondContact N-OD1 3.31Å | ||
| 991 | I | 96.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.8 | 174.6 | -59.3 | 176.7 | 0 | 0 | 0 | 108.2 | I903 I911 L951 C952 A975 | I903-I991 HydrophobicContact CD1-CG2 4.02Å; I903-I991 HydrophobicContact CG1-CG2 4.33Å; I911-I991 HydrophobicContact CD1-CG2 3.81Å; L951-I991 HydrophobicContact CB-CD1 3.86Å; L951-I991 HydrophobicContact CB-CG1 4.25Å; L951-I991 HydrophobicContact CD1-CG1 4.48Å; C952-I991 HydrophobicContact CB-CD1 4.45Å; C952-I991 WeakPolarHBondContact SG-CD1 3.38Å; A975-I991 HydrophobicContact CB-CB 4.24Å; A975-I991 WeakPolarHBondContact CB-O 3.23Å; A975-I991 PolarHBondContact N-O 3.21Å |
| 992 | V | 96.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.5 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | N900 T901 L902 I903 I965 V967 A972 F973 A974 | N900-V992 HydrophobicContact CB-CG2 4.24Å; T901-V992 PolarHBondContact O-N 3.12Å; L902-V992 HydrophobicContact CD2-CB 3.77Å; L902-V992 HydrophobicContact CD2-CG1 4.3Å; L902-V992 HydrophobicContact CD2-CG2 3.99Å; I903-V992 CarbonylContact C-O 3.57Å; I903-V992 WeakPolarHBondContact CA-O 3.47Å; I903-V992 PolarHBondContact N-O 3.16Å; I965-V992 HydrophobicContact CG2-CG1 3.78Å; V967-V992 HydrophobicContact CG2-CG1 4.13Å; A972-V992 HydrophobicContact CB-CG1 3.61Å; F973-V992 CarbonylContact O-C 3.55Å; F973-V992 VanDerWaalsContact O-CA 3.3Å; F973-V992 WeakPolarHBondContact O-CA 3.38Å; A974-V992 HydrophobicContact CB-CG2 4.45Å |
| 993 | Y | 97.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159.1 | -170.4 | 73.6 | -76.9 | 0 | 0 | 0 | 113.4 | I903 I911 V955 D960 R962 A972 F973 A975 L995 L998 | I903-Y993 VanDerWaalsContact O-CA 3.29Å; I903-Y993 WeakPolarHBondContact O-CA 3.43Å; I911-Y993 HydrophobicContact CD1-CG 4.32Å; I911-Y993 HydrophobicContact CG1-CD2 4.49Å; V955-Y993 HydrophobicContact CB-CE1 4.42Å; V955-Y993 HydrophobicContact CG1-CD1 4.18Å; V955-Y993 HydrophobicContact CG1-CD2 3.92Å; V955-Y993 HydrophobicContact CG1-CE1 3.85Å; V955-Y993 HydrophobicContact CG1-CE2 3.58Å; V955-Y993 HydrophobicContact CG1-CG 4.22Å; V955-Y993 HydrophobicContact CG2-CD1 4.13Å; V955-Y993 HydrophobicContact CG2-CE1 3.64Å; D960-Y993 PolarHBondContact OD1-OH 3.04Å; D960-Y993 PolarHBondContact OD2-OH 3.4Å; D960-Y993 VanDerWaalsContact OD2-OH 3.05Å; R962-Y993 PolarHBondContact NE-OH 3.28Å; A972-Y993 CarbonylContact C-O 3.59Å; A972-Y993 WeakPolarHBondContact CA-O 3.2Å; A972-Y993 WeakPolarHBondContact CB-O 3.36Å; F973-Y993 HydrophobicContact CB-CD1 4.4Å; F973-Y993 HydrophobicContact CB-CE1 3.93Å; F973-Y993 PolarHBondContact N-O 3.45Å; F973-Y993 VanDerWaalsContact O-CD1 3.24Å; F973-Y993 WeakPolarHBondContact O-CD1 3.35Å; F973-Y993 PolarHBondContact O-N 2.85Å; A975-Y993 HydrophobicContact CB-CE1 4.33Å; Y993-L995 HydrophobicContact CE2-CD2 4.42Å; Y993-L998 HydrophobicContact CD2-CD2 4.07Å; Y993-L998 HydrophobicContact CE2-CD2 3.64Å; Y993-L998 HydrophobicContact CE2-CG 4.25Å |
| 994 | T | 96.3 | Very high | 89.8 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | trans | -106.2 | 156.2 | 170.6 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | C904 V970 A972 D996 K997 | C904-T994 HydrophobicContact CB-CG2 3.82Å; V970-T994 HydrophobicContact CG1-CG2 3.77Å; A972-T994 HydrophobicContact CB-CG2 4.1Å; T994-D996 WeakPolarHBondContact CB-OD1 3.48Å; T994-D996 PolarHBondContact O-N 2.84Å; T994-D996 PolarHBondContact OG1-OD1 3.01Å; T994-K997 WeakPolarHBondContact O-CB 3.47Å; T994-K997 PolarHBondContact O-N 3.44Å; T994-K997 VanDerWaalsContact OG1-CG 3.28Å; T994-K997 WeakPolarHBondContact OG1-CG 3.2Å | ||
| 995 | L | 93.1 | Very high | 91 | Very high | 92 Ų | 92 | 48.4 Ų | 48.4 | 48% | 0.482 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -66 | -23.7 | -174 | -65.7 | 175 | 0 | 0 | 0 | 113.7 | F973 Y993 K997 L998 | F973-L995 HydrophobicContact CD2-CD2 4.4Å; F973-L995 HydrophobicContact CD2-CG 4.3Å; F973-L995 HydrophobicContact CE2-CD1 4.09Å; F973-L995 HydrophobicContact CE2-CD2 4.25Å; F973-L995 HydrophobicContact CE2-CG 3.82Å; Y993-L995 HydrophobicContact CE2-CD2 4.42Å; L995-K997 PolarHBondContact O-N 3.42Å; L995-L998 HydrophobicContact CD2-CD1 4.06Å |
| 996 | D | 94 | Very high | 91.9 | Very high | 126 Ų | 126 | 42.4 Ų | 42.4 | 67% | 0.674 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -72.7 | -11.5 | 173.8 | 63.8 | -65.5 | 0 | 0 | 0 | 113.2 | T994 | T994-D996 WeakPolarHBondContact CB-OD1 3.48Å; T994-D996 PolarHBondContact O-N 2.84Å; T994-D996 PolarHBondContact OG1-OD1 3.01Å |
| 997 | K | 94.3 | Very high | 92.9 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -97 | 3.4 | 179.1 | -59.4 | -67.1 | -175.3 | 172.8 | 0 | 113.5 | I903 F905 P906 S908 S910 I911 T994 L995 | I903-K997 HydrophobicContact CG2-CB 4.34Å; I903-K997 WeakPolarHBondContact O-CG 3.07Å; F905-K997 WeakPolarHBondContact O-CE 3.35Å; F905-K997 PolarHBondContact O-NZ 3Å; P906-K997 PolarHBondContact O-NZ 3.45Å; S908-K997 PolarHBondContact O-NZ 3.44Å; S910-K997 CarbonylContact C-O 3.56Å; S910-K997 WeakPolarHBondContact CA-O 3.07Å; S910-K997 WeakPolarHBondContact CB-O 3.41Å; I911-K997 WeakPolarHBondContact CG1-O 3.24Å; I911-K997 PolarHBondContact N-O 2.88Å; T994-K997 WeakPolarHBondContact O-CB 3.47Å; T994-K997 PolarHBondContact O-N 3.44Å; T994-K997 VanDerWaalsContact OG1-CG 3.28Å; T994-K997 WeakPolarHBondContact OG1-CG 3.2Å; L995-K997 PolarHBondContact O-N 3.42Å |
| 998 | L | 90.6 | Very high | 94 | Very high | 80 Ų | 80 | 32 Ų | 32 | 42% | 0.419 | 17% | 0.169 | S | C | . | . | trans | -61.3 | 0 | 178.3 | -72.4 | 173.5 | 0 | 0 | 0 | 112.9 | A912 V955 L956 Y993 L995 | A912-L998 PolarHBondContact N-OXT 2.94Å; V955-L998 HydrophobicContact CG1-CD2 3.37Å; L956-L998 VanDerWaalsContact CD2-OXT 3.24Å; L956-L998 WeakPolarHBondContact CD2-OXT 3.49Å; Y993-L998 HydrophobicContact CD2-CD2 4.07Å; Y993-L998 HydrophobicContact CE2-CD2 3.64Å; Y993-L998 HydrophobicContact CE2-CG 4.25Å; L995-L998 HydrophobicContact CD2-CD1 4.06Å |
Retrieved 998 of 998 residues in 1030.9 ms
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