| 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 | 42.1 | Very low | 53.6 | Low | 70 Ų | 70 | 82.4 Ų | 82.4 | 35% | 0.345 | 41% | 0.41 | S | S | . | . | 0 | 143.8 | 0 | -74.8 | -174.6 | 173.6 | 0 | 0 | 109.2 | L5 V61 T63 Q101 | M1-L5 HydrophobicContact CB-CD1 3.91Å; M1-L5 HydrophobicContact CE-CD1 4.04Å; M1-L5 HydrophobicContact CG-CD1 3.55Å; M1-L5 HydrophobicContact SD-CB 3.83Å; M1-L5 HydrophobicContact SD-CD1 3.6Å; M1-L5 HydrophobicContact SD-CG 4.33Å; M1-V61 HydrophobicContact CE-CB 4.37Å; M1-V61 HydrophobicContact CE-CG2 4.47Å; M1-T63 HydrophobicContact CG-CG2 3.79Å; M1-Q101 HydrophobicContact CE-CB 4.48Å; M1-Q101 HydrophobicContact SD-CB 3.8Å; M1-Q101 HydrophobicContact SD-CG 4.45Å | |||
| 2 | P | 35.1 | Very low | 55.3 | Low | 87 Ų | 87 | 80.3 Ų | 80.3 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | trans | -57.4 | 151.8 | 157 | 28.4 | -35.4 | 0 | 0 | 0 | 110 | S4 L5 | P2-S4 WeakPolarHBondContact CB-OG 3.34Å; P2-S4 WeakPolarHBondContact CG-OG 3.39Å; P2-S4 PolarHBondContact O-N 2.87Å; P2-L5 HydrophobicContact CG-CD1 4.32Å | ||
| 3 | K | 40.4 | Very low | 56.8 | Low | 207 Ų | 207 | 82.4 Ų | 82.4 | 90% | 0.9 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -2.8 | -179.6 | -69 | -177.5 | 177.9 | 178.1 | 0 | 114 | ||
| 4 | S | 48.8 | Very low | 58.4 | Low | 50 Ų | 50 | 84.7 Ų | 84.7 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -28.8 | -179.1 | 50.1 | 0 | 0 | 0 | 0 | 114.6 | P2 R6 T7 T8 | P2-S4 WeakPolarHBondContact CB-OG 3.34Å; P2-S4 WeakPolarHBondContact CG-OG 3.39Å; P2-S4 PolarHBondContact O-N 2.87Å; S4-R6 PolarHBondContact O-N 3Å; S4-T7 CarbonylContact O-C 3.52Å; S4-T7 VanDerWaalsContact O-C 3.26Å; S4-T7 WeakPolarHBondContact O-CA 3.45Å; S4-T7 WeakPolarHBondContact O-CB 3.44Å; S4-T7 PolarHBondContact O-N 2.82Å; S4-T8 PolarHBondContact O-N 2.93Å; S4-T8 PolarHBondContact O-OG1 3.49Å |
| 5 | L | 52.8 | Low | 59.9 | Low | 31 Ų | 31 | 80.3 Ų | 80.3 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.1 | -46.7 | -155.7 | -92.3 | 160.1 | 0 | 0 | 0 | 117.1 | M1 P2 T7 T8 V9 W72 | M1-L5 HydrophobicContact CB-CD1 3.91Å; M1-L5 HydrophobicContact CE-CD1 4.04Å; M1-L5 HydrophobicContact CG-CD1 3.55Å; M1-L5 HydrophobicContact SD-CB 3.83Å; M1-L5 HydrophobicContact SD-CD1 3.6Å; M1-L5 HydrophobicContact SD-CG 4.33Å; P2-L5 HydrophobicContact CG-CD1 4.32Å; L5-T7 PolarHBondContact O-N 3.11Å; L5-T8 WeakPolarHBondContact CA-OG1 3.48Å; L5-T8 PolarHBondContact O-N 3.31Å; L5-T8 PolarHBondContact O-OG1 2.66Å; L5-V9 WeakPolarHBondContact O-CG2 3.44Å; L5-V9 PolarHBondContact O-N 3.47Å; L5-W72 HydrophobicContact CD2-CD2 4.4Å; L5-W72 HydrophobicContact CD2-CZ2 4.5Å |
| 6 | R | 49.5 | Very low | 61.3 | Low | 104 Ų | 104 | 77.4 Ų | 77.4 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.4 | -37.7 | 168.1 | -117 | -176 | 176.6 | 177.4 | -1.6 | 112.5 | S4 T8 M98 | S4-R6 PolarHBondContact O-N 3Å; R6-T8 VanDerWaalsContact C-N 3.33Å; R6-M98 HydrophobicContact CG-CG 3.92Å; R6-M98 PolarHBondContact NH2-O 2.92Å |
| 7 | T | 51.8 | Low | 62.8 | Low | 74 Ų | 74 | 81.2 Ų | 81.2 | 45% | 0.454 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.9 | -19.5 | -177.6 | -41.4 | 0 | 0 | 0 | 0 | 112.3 | S4 L5 K11 | S4-T7 CarbonylContact O-C 3.52Å; S4-T7 VanDerWaalsContact O-C 3.26Å; S4-T7 WeakPolarHBondContact O-CA 3.45Å; S4-T7 WeakPolarHBondContact O-CB 3.44Å; S4-T7 PolarHBondContact O-N 2.82Å; L5-T7 PolarHBondContact O-N 3.11Å; T7-K11 HydrophobicContact CG2-CD 4.18Å; T7-K11 VanDerWaalsContact O-CB 3.26Å; T7-K11 WeakPolarHBondContact O-CB 3.41Å; T7-K11 VanDerWaalsContact O-CD 3.23Å; T7-K11 WeakPolarHBondContact O-CD 3.35Å; T7-K11 WeakPolarHBondContact O-CG 3.43Å |
| 8 | T | 59.9 | Low | 64.1 | Low | 61 Ų | 61 | 79.1 Ų | 79.1 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -91.3 | -44.8 | 173.5 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | S4 L5 R6 F10 K11 D12 | S4-T8 PolarHBondContact O-N 2.93Å; S4-T8 PolarHBondContact O-OG1 3.49Å; L5-T8 WeakPolarHBondContact CA-OG1 3.48Å; L5-T8 PolarHBondContact O-N 3.31Å; L5-T8 PolarHBondContact O-OG1 2.66Å; R6-T8 VanDerWaalsContact C-N 3.33Å; T8-F10 VanDerWaalsContact C-N 3.26Å; T8-F10 PolarHBondContact O-N 3.21Å; T8-K11 CarbonylContact O-C 3.15Å; T8-K11 PolarHBondContact O-N 3.27Å; T8-D12 WeakPolarHBondContact O-CB 3.5Å; T8-D12 PolarHBondContact O-N 2.85Å |
| 9 | V | 68.4 | Low | 65.4 | Low | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56 | -39.3 | -178.7 | 174.2 | 0 | 0 | 0 | 0 | 112.8 | L5 S16 F19 W72 M98 | L5-V9 WeakPolarHBondContact O-CG2 3.44Å; L5-V9 PolarHBondContact O-N 3.47Å; V9-S16 WeakPolarHBondContact O-CA 3.48Å; V9-S16 PolarHBondContact O-N 3.05Å; V9-F19 HydrophobicContact CG1-CB 4.37Å; V9-F19 HydrophobicContact CG1-CD1 4.32Å; V9-F19 HydrophobicContact CG1-CD2 3.43Å; V9-F19 VanDerWaalsContact CG1-CD2 3.43Å; V9-F19 HydrophobicContact CG1-CE1 4.49Å; V9-F19 HydrophobicContact CG1-CE2 3.66Å; V9-F19 HydrophobicContact CG1-CG 3.79Å; V9-F19 HydrophobicContact CG1-CZ 4.19Å; V9-W72 HydrophobicContact CG2-CH2 3.68Å; V9-W72 HydrophobicContact CG2-CZ2 3.52Å; V9-M98 HydrophobicContact CB-CE 4.5Å; V9-M98 HydrophobicContact CG1-CE 4.19Å; V9-M98 HydrophobicContact CG2-CE 4.25Å |
| 10 | F | 73.2 | Confident | 66.5 | Low | 58 Ų | 58 | 73.5 Ų | 73.5 | 25% | 0.254 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.1 | 177.4 | -66 | -64 | 0 | 0 | 0 | 114.8 | T8 F19 H21 M98 | T8-F10 VanDerWaalsContact C-N 3.26Å; T8-F10 PolarHBondContact O-N 3.21Å; F10-F19 HydrophobicContact CE1-CB 3.75Å; F10-F19 HydrophobicContact CZ-CB 4.14Å; F10-H21 AromaticContact CD1-CE1 3.3Å; F10-H21 WeakPolarHBondContact CD1-CE1 3.04Å; F10-H21 AromaticContact CD1-ND1 3.37Å; F10-H21 WeakPolarHBondContact CD1-ND1 3.49Å; F10-H21 AromaticContact CE1-CE1 3.76Å; F10-H21 AromaticContact CE1-ND1 3.43Å; F10-H21 WeakPolarHBondContact CE1-ND1 3.47Å; F10-M98 HydrophobicContact CE2-CB 3.94Å; F10-M98 HydrophobicContact CE2-CG 4.08Å; F10-M98 HydrophobicContact CZ-CB 3.94Å |
| 11 | K | 67.4 | Low | 67.4 | Low | 163 Ų | 163 | 77.2 Ų | 77.2 | 71% | 0.709 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -20.8 | 169.5 | -73.6 | -173.5 | -175.9 | -174.4 | 0 | 113.3 | T7 T8 P13 | T7-K11 HydrophobicContact CG2-CD 4.18Å; T7-K11 VanDerWaalsContact O-CB 3.26Å; T7-K11 WeakPolarHBondContact O-CB 3.41Å; T7-K11 VanDerWaalsContact O-CD 3.23Å; T7-K11 WeakPolarHBondContact O-CD 3.35Å; T7-K11 WeakPolarHBondContact O-CG 3.43Å; T8-K11 CarbonylContact O-C 3.15Å; T8-K11 PolarHBondContact O-N 3.27Å; K11-P13 WeakPolarHBondContact O-CD 3.28Å |
| 12 | D | 74.2 | Confident | 69.6 | Low | 58 Ų | 58 | 79.2 Ų | 79.2 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | trans | -74.6 | 115.6 | 172.2 | -177.7 | -22.9 | 0 | 0 | 0 | 109.1 | T8 E14 L15 S16 | T8-D12 WeakPolarHBondContact O-CB 3.5Å; T8-D12 PolarHBondContact O-N 2.85Å; D12-E14 VanDerWaalsContact C-N 3.25Å; D12-E14 PolarHBondContact O-N 3.41Å; D12-E14 WeakPolarHBondContact OD1-CA 3.31Å; D12-E14 WeakPolarHBondContact OD1-CB 3.31Å; D12-E14 PolarHBondContact OD1-N 3.31Å; D12-L15 HydrophobicContact CB-CB 4.12Å; D12-L15 HydrophobicContact CB-CD1 4.32Å; D12-L15 HydrophobicContact CB-CG 4.3Å; D12-L15 PolarHBondContact O-N 2.92Å; D12-L15 PolarHBondContact OD1-N 3.42Å; D12-L15 WeakPolarHBondContact OD2-CD1 3.28Å; D12-L15 WeakPolarHBondContact OD2-CG 3.24Å; D12-S16 VanDerWaalsContact O-CB 3.27Å; D12-S16 WeakPolarHBondContact O-CB 3.48Å; D12-S16 PolarHBondContact O-N 2.94Å; D12-S16 PolarHBondContact O-OG 2.85Å | ||
| 13 | P | 74.8 | Confident | 72 | Confident | 107 Ų | 107 | 78.5 Ų | 78.5 | 70% | 0.695 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.3 | -23.3 | 179.2 | -20 | 34.3 | 0 | 0 | 0 | 113.6 | K11 | K11-P13 WeakPolarHBondContact O-CD 3.28Å |
| 14 | E | 79.6 | Confident | 74.4 | Confident | 115 Ų | 115 | 68.6 Ų | 68.6 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -75.4 | -36.7 | 175 | -81.4 | -155.7 | -161.7 | 0 | 0 | 112.7 | D12 K17 Y18 K80 | D12-E14 VanDerWaalsContact C-N 3.25Å; D12-E14 PolarHBondContact O-N 3.41Å; D12-E14 WeakPolarHBondContact OD1-CA 3.31Å; D12-E14 WeakPolarHBondContact OD1-CB 3.31Å; D12-E14 PolarHBondContact OD1-N 3.31Å; E14-K17 WeakPolarHBondContact O-CE 3.32Å; E14-Y18 VanDerWaalsContact O-CD2 3.31Å; E14-Y18 WeakPolarHBondContact O-CD2 3.32Å; E14-Y18 WeakPolarHBondContact O-CE2 3.39Å; E14-K80 IonicContact OE2-NZ 3.17Å; E14-K80 PolarHBondContact OE2-NZ 3.23Å |
| 15 | L | 80.5 | Confident | 76.4 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -87.5 | -42.1 | -176.2 | -64.9 | -179.9 | 0 | 0 | 0 | 112.4 | D12 K17 Y18 F19 V76 | D12-L15 HydrophobicContact CB-CB 4.12Å; D12-L15 HydrophobicContact CB-CD1 4.32Å; D12-L15 HydrophobicContact CB-CG 4.3Å; D12-L15 PolarHBondContact O-N 2.92Å; D12-L15 PolarHBondContact OD1-N 3.42Å; D12-L15 WeakPolarHBondContact OD2-CD1 3.28Å; D12-L15 WeakPolarHBondContact OD2-CG 3.24Å; L15-K17 PolarHBondContact O-N 3.36Å; L15-K17 VanDerWaalsContact O-N 3.11Å; L15-Y18 PolarHBondContact O-N 3.19Å; L15-F19 WeakPolarHBondContact O-CD2 3.39Å; L15-V76 HydrophobicContact CD2-CG1 3.6Å; L15-V76 HydrophobicContact CD2-CG2 4.21Å |
| 16 | S | 82.9 | Confident | 78.2 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 24% | 0.238 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -52.7 | -38.7 | -173.1 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | V9 D12 Y18 F19 | V9-S16 WeakPolarHBondContact O-CA 3.48Å; V9-S16 PolarHBondContact O-N 3.05Å; D12-S16 VanDerWaalsContact O-CB 3.27Å; D12-S16 WeakPolarHBondContact O-CB 3.48Å; D12-S16 PolarHBondContact O-N 2.94Å; D12-S16 PolarHBondContact O-OG 2.85Å; S16-Y18 PolarHBondContact O-N 2.9Å; S16-F19 PolarHBondContact O-N 3.49Å |
| 17 | K | 86.1 | Confident | 80.2 | Confident | 143 Ų | 143 | 67.5 Ų | 67.5 | 62% | 0.622 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -14.5 | 176.8 | 71.5 | -174.2 | -175.3 | -179 | 0 | 115.9 | E14 L15 | E14-K17 WeakPolarHBondContact O-CE 3.32Å; L15-K17 PolarHBondContact O-N 3.36Å; L15-K17 VanDerWaalsContact O-N 3.11Å |
| 18 | Y | 86.3 | Confident | 82.3 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -7.6 | 176.3 | -55.9 | -68.5 | 0 | 0 | 0 | 113.5 | E14 L15 S16 I79 K80 S83 C96 | E14-Y18 VanDerWaalsContact O-CD2 3.31Å; E14-Y18 WeakPolarHBondContact O-CD2 3.32Å; E14-Y18 WeakPolarHBondContact O-CE2 3.39Å; L15-Y18 PolarHBondContact O-N 3.19Å; S16-Y18 PolarHBondContact O-N 2.9Å; Y18-I79 HydrophobicContact CG-CG2 4.45Å; Y18-K80 HydrophobicContact CD2-CG 4.25Å; Y18-K80 HydrophobicContact CE2-CD 4.26Å; Y18-K80 HydrophobicContact CE2-CG 3.67Å; Y18-S83 WeakPolarHBondContact CE1-OG 3.25Å; Y18-C96 WeakPolarHBondContact O-CB 3.37Å |
| 19 | F | 88.7 | Confident | 83.9 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 4% | 0.044 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.3 | -175.1 | -71.7 | -89.7 | 0 | 0 | 0 | 111.9 | V9 F10 L15 S16 W72 I79 C96 M98 P103 | V9-F19 HydrophobicContact CG1-CB 4.37Å; V9-F19 HydrophobicContact CG1-CD1 4.32Å; V9-F19 HydrophobicContact CG1-CD2 3.43Å; V9-F19 VanDerWaalsContact CG1-CD2 3.43Å; V9-F19 HydrophobicContact CG1-CE1 4.49Å; V9-F19 HydrophobicContact CG1-CE2 3.66Å; V9-F19 HydrophobicContact CG1-CG 3.79Å; V9-F19 HydrophobicContact CG1-CZ 4.19Å; F10-F19 HydrophobicContact CE1-CB 3.75Å; F10-F19 HydrophobicContact CZ-CB 4.14Å; L15-F19 WeakPolarHBondContact O-CD2 3.39Å; S16-F19 PolarHBondContact O-N 3.49Å; F19-W72 HydrophobicContact CZ-CH2 4.34Å; F19-I79 HydrophobicContact CE1-CD1 4.28Å; F19-I79 HydrophobicContact CZ-CD1 3.78Å; F19-C96 CarbonylContact C-O 3.59Å; F19-C96 WeakPolarHBondContact CA-O 3.42Å; F19-C96 HydrophobicContact CD1-CB 3.95Å; F19-C96 HydrophobicContact CE1-CB 4.06Å; F19-C96 WeakPolarHBondContact CE1-SG 3.31Å; F19-M98 HydrophobicContact CD1-CE 4.06Å; F19-M98 HydrophobicContact CE1-CE 3.69Å; F19-M98 HydrophobicContact CZ-CE 4.28Å; F19-P103 HydrophobicContact CE1-CB 4.07Å; F19-P103 HydrophobicContact CE1-CG 4.36Å |
| 20 | S | 88 | Confident | 84.8 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 25% | 0.252 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 141.2 | 167.4 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | E22 C96 | S20-E22 VanDerWaalsContact C-N 3.26Å; S20-E22 PolarHBondContact OG-N 3.19Å; S20-E22 VanDerWaalsContact OG-N 3.17Å; S20-C96 PolarHBondContact N-O 3.4Å |
| 21 | H | 84.6 | Confident | 85.6 | Confident | 152 Ų | 152 | 67.2 Ų | 67.2 | 70% | 0.704 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -75.8 | -12.9 | 172.1 | -67.2 | -70.8 | 0 | 0 | 0 | 113.3 | F10 | F10-H21 AromaticContact CD1-CE1 3.3Å; F10-H21 WeakPolarHBondContact CD1-CE1 3.04Å; F10-H21 AromaticContact CD1-ND1 3.37Å; F10-H21 WeakPolarHBondContact CD1-ND1 3.49Å; F10-H21 AromaticContact CE1-CE1 3.76Å; F10-H21 AromaticContact CE1-ND1 3.43Å; F10-H21 WeakPolarHBondContact CE1-ND1 3.47Å |
| 22 | E | 88.6 | Confident | 86.7 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 52% | 0.523 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -72.6 | 154.1 | -178.9 | -62.1 | -179.1 | 154.9 | 0 | 0 | 112.5 | S20 V27 F97 | S20-E22 VanDerWaalsContact C-N 3.26Å; S20-E22 PolarHBondContact OG-N 3.19Å; S20-E22 VanDerWaalsContact OG-N 3.17Å; E22-V27 HydrophobicContact CB-CG2 3.99Å; E22-V27 VanDerWaalsContact OE2-CG2 3.29Å; E22-V27 WeakPolarHBondContact OE2-CG2 3.26Å; E22-F97 HydrophobicContact CB-CD1 4.32Å; E22-F97 HydrophobicContact CB-CE1 4.12Å |
| 23 | N | 86.7 | Confident | 87.2 | Confident | 71 Ų | 71 | 65 Ų | 65 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | trans | -82.8 | 119.7 | 172.9 | -176.5 | -2.3 | 0 | 0 | 0 | 109.5 | T25 T26 V27 | N23-T25 PolarHBondContact ND2-OG1 2.98Å; N23-T25 PolarHBondContact O-N 3.38Å; N23-T25 VanDerWaalsContact O-N 3.09Å; N23-T25 PolarHBondContact OD1-N 2.85Å; N23-T25 PolarHBondContact OD1-OG1 3.36Å; N23-T26 HydrophobicContact CB-CG2 4.42Å; N23-T26 PolarHBondContact O-N 3.01Å; N23-T26 PolarHBondContact O-OG1 3.1Å; N23-V27 PolarHBondContact O-N 3.25Å | ||
| 24 | P | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.6 | -19.9 | -174.7 | 25.9 | -33.4 | 0 | 0 | 0 | 113.3 | T26 V27 F28 F97 K99 W104 | P24-T26 VanDerWaalsContact C-N 3.26Å; P24-T26 PolarHBondContact O-N 3.45Å; P24-V27 PolarHBondContact O-N 3.37Å; P24-F28 HydrophobicContact CB-CD2 4.04Å; P24-F28 HydrophobicContact CB-CE2 4.41Å; P24-F28 WeakPolarHBondContact O-CD2 3.43Å; P24-F28 PolarHBondContact O-N 2.95Å; P24-F97 HydrophobicContact CB-CB 3.76Å; P24-F97 HydrophobicContact CB-CD1 4.14Å; P24-F97 HydrophobicContact CB-CG 4Å; P24-F97 HydrophobicContact CG-CB 3.76Å; P24-K99 HydrophobicContact CG-CB 3.91Å; P24-W104 HydrophobicContact CB-CD2 4.35Å; P24-W104 HydrophobicContact CB-CE3 3.51Å; P24-W104 HydrophobicContact CB-CZ3 4.01Å; P24-W104 HydrophobicContact CG-CB 4.36Å; P24-W104 HydrophobicContact CG-CD2 3.87Å; P24-W104 HydrophobicContact CG-CE3 3.46Å; P24-W104 VanDerWaalsContact CG-CE3 3.46Å; P24-W104 HydrophobicContact CG-CG 4.27Å; P24-W104 HydrophobicContact CG-CZ3 4.04Å |
| 25 | T | 90.2 | Very high | 87.6 | Confident | 49 Ų | 49 | 57 Ų | 57 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73 | -16.5 | 173.6 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | N23 K99 W104 | N23-T25 PolarHBondContact ND2-OG1 2.98Å; N23-T25 PolarHBondContact O-N 3.38Å; N23-T25 VanDerWaalsContact O-N 3.09Å; N23-T25 PolarHBondContact OD1-N 2.85Å; N23-T25 PolarHBondContact OD1-OG1 3.36Å; T25-K99 HydrophobicContact CG2-CD 3.96Å; T25-W104 HydrophobicContact CG2-CH2 4.24Å; T25-W104 HydrophobicContact CG2-CZ3 4.46Å |
| 26 | T | 91 | Very high | 87.3 | Confident | 95 Ų | 95 | 61.1 Ų | 61.1 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -93 | -18 | 171.8 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | N23 P24 R48 | N23-T26 HydrophobicContact CB-CG2 4.42Å; N23-T26 PolarHBondContact O-N 3.01Å; N23-T26 PolarHBondContact O-OG1 3.1Å; P24-T26 VanDerWaalsContact C-N 3.26Å; P24-T26 PolarHBondContact O-N 3.45Å; T26-R48 VanDerWaalsContact O-CD 3.26Å; T26-R48 WeakPolarHBondContact O-CD 3.23Å |
| 27 | V | 92.4 | Very high | 86.4 | Confident | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -91.5 | -38.1 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | E22 N23 P24 R48 F97 | E22-V27 HydrophobicContact CB-CG2 3.99Å; E22-V27 VanDerWaalsContact OE2-CG2 3.29Å; E22-V27 WeakPolarHBondContact OE2-CG2 3.26Å; N23-V27 PolarHBondContact O-N 3.25Å; P24-V27 PolarHBondContact O-N 3.37Å; V27-R48 WeakPolarHBondContact O-CB 3.43Å; V27-R48 WeakPolarHBondContact O-CG 3.29Å; V27-R48 PolarHBondContact O-N 2.84Å; V27-F97 HydrophobicContact CG2-CE1 4.09Å |
| 28 | F | 94.9 | Very high | 85.3 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 159.2 | -173.9 | -56.8 | -77.8 | 0 | 0 | 0 | 113.1 | P24 F31 A45 R46 N47 R48 V54 I56 F97 V106 | P24-F28 HydrophobicContact CB-CD2 4.04Å; P24-F28 HydrophobicContact CB-CE2 4.41Å; P24-F28 WeakPolarHBondContact O-CD2 3.43Å; P24-F28 PolarHBondContact O-N 2.95Å; F28-F31 HydrophobicContact CB-CE1 3.74Å; F28-F31 HydrophobicContact CB-CZ 3.65Å; F28-F31 WeakPolarHBondContact O-CZ 3.15Å; F28-A45 HydrophobicContact CB-CB 4.22Å; F28-R46 CarbonylContact C-O 3.51Å; F28-R46 VanDerWaalsContact CA-O 3.28Å; F28-R46 WeakPolarHBondContact CA-O 3.21Å; F28-N47 HydrophobicContact CD1-CB 4.11Å; F28-N47 HydrophobicContact CE1-CB 3.95Å; F28-R48 PolarHBondContact O-NE 2.95Å; F28-R48 PolarHBondContact O-NH2 3.01Å; F28-V54 HydrophobicContact CD1-CG2 3.69Å; F28-V54 HydrophobicContact CE1-CG1 4.27Å; F28-V54 HydrophobicContact CE1-CG2 3.71Å; F28-I56 HydrophobicContact CB-CD1 4.09Å; F28-I56 HydrophobicContact CD1-CD1 4.21Å; F28-I56 HydrophobicContact CD2-CD1 3.9Å; F28-I56 HydrophobicContact CE2-CD1 4.45Å; F28-I56 HydrophobicContact CG-CD1 3.79Å; F28-F97 HydrophobicContact CE2-CD2 4.25Å; F28-F97 HydrophobicContact CE2-CE1 4.32Å; F28-F97 AromaticContact CE2-CE2 3.83Å; F28-F97 HydrophobicContact CE2-CE2 3.83Å; F28-F97 AromaticContact CE2-CZ 3.87Å; F28-F97 HydrophobicContact CE2-CZ 3.87Å; F28-F97 HydrophobicContact CZ-CE2 4.1Å; F28-F97 HydrophobicContact CZ-CZ 4.16Å; F28-V106 HydrophobicContact CE1-CG1 4.1Å; F28-V106 HydrophobicContact CE2-CG2 3.81Å; F28-V106 HydrophobicContact CZ-CB 4.42Å; F28-V106 HydrophobicContact CZ-CG1 3.83Å; F28-V106 HydrophobicContact CZ-CG2 3.86Å |
| 29 | T | 93.5 | Very high | 84.3 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 175 | 179.9 | -162.4 | 0 | 0 | 0 | 0 | 111.1 | F31 A45 R46 R48 | T29-F31 PolarHBondContact O-N 3.34Å; T29-A45 CarbonylContact O-C 3.45Å; T29-A45 WeakPolarHBondContact O-CA 3.32Å; T29-A45 WeakPolarHBondContact O-CB 3.42Å; T29-R46 HydrophobicContact CG2-CB 4.03Å; T29-R46 PolarHBondContact N-O 3.4Å; T29-R46 PolarHBondContact O-N 2.77Å; T29-R48 HydrophobicContact CG2-CG 4.02Å; T29-R48 PolarHBondContact OG1-NH2 3.06Å |
| 30 | D | 87.8 | Confident | 83.5 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.9 | 51 | 176.2 | -165 | 12.6 | 0 | 0 | 0 | 113.2 | R32 | D30-R32 PolarHBondContact O-N 2.89Å; D30-R32 IonicContact OD1-CZ 2.74Å; D30-R32 IonicContact OD1-NE 2.65Å; D30-R32 PolarHBondContact OD1-NE 3.44Å; D30-R32 IonicContact OD1-NH2 3.23Å; D30-R32 PolarHBondContact OD1-NH2 2.75Å; D30-R32 IonicContact OD2-CZ 2.71Å; D30-R32 IonicContact OD2-NE 3.39Å; D30-R32 PolarHBondContact OD2-NE 2.94Å; D30-R32 IonicContact OD2-NH2 3.74Å; D30-R32 PolarHBondContact OD2-NH2 3.01Å |
| 31 | F | 90.3 | Very high | 83.4 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 107.2 | -178.8 | -58.6 | -80.1 | 0 | 0 | 0 | 111.1 | F28 T29 Y44 A45 I56 W104 | F28-F31 HydrophobicContact CB-CE1 3.74Å; F28-F31 HydrophobicContact CB-CZ 3.65Å; F28-F31 WeakPolarHBondContact O-CZ 3.15Å; T29-F31 PolarHBondContact O-N 3.34Å; F31-Y44 WeakPolarHBondContact CA-O 3.22Å; F31-A45 HydrophobicContact CD1-CB 3.76Å; F31-A45 HydrophobicContact CE1-CB 3.94Å; F31-I56 HydrophobicContact CE1-CD1 4.02Å; F31-W104 HydrophobicContact CD1-CZ3 4.32Å; F31-W104 HydrophobicContact CE1-CH2 4.12Å; F31-W104 AromaticContact CE1-CZ3 3.59Å; F31-W104 HydrophobicContact CE1-CZ3 3.59Å; F31-W104 HydrophobicContact CZ-CH2 4.43Å; F31-W104 AromaticContact CZ-CZ3 3.99Å; F31-W104 HydrophobicContact CZ-CZ3 3.99Å |
| 32 | R | 89 | Confident | 83.7 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.8 | 176.8 | -49.3 | 179 | -167 | -179.2 | 7.7 | 109.6 | D30 I34 Y43 Y44 Y321 D324 | D30-R32 PolarHBondContact O-N 2.89Å; D30-R32 IonicContact OD1-CZ 2.74Å; D30-R32 IonicContact OD1-NE 2.65Å; D30-R32 PolarHBondContact OD1-NE 3.44Å; D30-R32 IonicContact OD1-NH2 3.23Å; D30-R32 PolarHBondContact OD1-NH2 2.75Å; D30-R32 IonicContact OD2-CZ 2.71Å; D30-R32 IonicContact OD2-NE 3.39Å; D30-R32 PolarHBondContact OD2-NE 2.94Å; D30-R32 IonicContact OD2-NH2 3.74Å; D30-R32 PolarHBondContact OD2-NH2 3.01Å; R32-I34 PolarHBondContact O-N 2.91Å; R32-Y43 CarbonylContact O-C 3.51Å; R32-Y43 VanDerWaalsContact O-CA 3.28Å; R32-Y43 WeakPolarHBondContact O-CA 3.49Å; R32-Y44 HydrophobicContact CG-CD1 4.37Å; R32-Y44 PolarHBondContact N-O 3.16Å; R32-Y44 PolarHBondContact O-N 3.13Å; R32-Y321 HydrophobicContact CB-CD2 4.44Å; R32-Y321 HydrophobicContact CB-CE2 3.65Å; R32-Y321 HydrophobicContact CG-CE2 4.24Å; R32-D324 IonicContact NH1-OD2 3.12Å; R32-D324 PolarHBondContact NH1-OD2 3.35Å |
| 33 | Q | 86.1 | Confident | 83.8 | Confident | 106 Ų | 106 | 49.9 Ų | 49.9 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127.7 | -178.2 | -164.8 | 170.6 | -47 | 0 | 0 | 111 | A41 Y43 | Q33-A41 HydrophobicContact CG-CB 4.46Å; Q33-Y43 HydrophobicContact CB-CD1 3.87Å; Q33-Y43 HydrophobicContact CB-CE1 3.68Å; Q33-Y43 HydrophobicContact CG-CD1 4.26Å; Q33-Y43 HydrophobicContact CG-CE1 3.9Å; Q33-Y43 PolarHBondContact OE1-OH 2.99Å |
| 34 | I | 85 | Confident | 84.1 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -10 | -177.6 | 60.2 | 175.5 | 0 | 0 | 0 | 113.6 | R32 V42 A55 Y109 K318 Y321 | R32-I34 PolarHBondContact O-N 2.91Å; I34-V42 HydrophobicContact CD1-CG1 3.97Å; I34-V42 HydrophobicContact CG1-CB 4.14Å; I34-V42 HydrophobicContact CG1-CG1 3.91Å; I34-V42 WeakPolarHBondContact CG1-O 3.42Å; I34-V42 PolarHBondContact N-O 3.12Å; I34-A55 HydrophobicContact CD1-CB 4.41Å; I34-Y109 HydrophobicContact CD1-CD2 4.1Å; I34-Y109 HydrophobicContact CD1-CE2 3.71Å; I34-K318 HydrophobicContact CB-CB 4.14Å; I34-K318 HydrophobicContact CB-CD 4.1Å; I34-K318 HydrophobicContact CG2-CB 3.73Å; I34-K318 WeakPolarHBondContact O-CD 3.46Å; I34-K318 PolarHBondContact O-NZ 3.11Å; I34-Y321 HydrophobicContact CG2-CD2 4.3Å; I34-Y321 HydrophobicContact CG2-CE2 3.97Å |
| 35 | G | 77.6 | Confident | 84.3 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | 172.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V42 | G35-V42 PolarHBondContact N-O 3.37Å; G35-V42 PolarHBondContact O-N 3.15Å |
| 36 | C | 73.9 | Confident | 84.5 | Confident | 106 Ų | 106 | 46.7 Ų | 46.7 | 72% | 0.716 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 141.2 | 168.8 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | G40 | C36-G40 CarbonylContact C-O 3.5Å; C36-G40 WeakPolarHBondContact CA-O 3.44Å |
| 37 | G | 64.2 | Low | 84.6 | Confident | 52 Ų | 52 | 43.5 Ų | 43.5 | 54% | 0.536 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | -174.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F39 G40 | G37-F39 PolarHBondContact O-N 3.04Å; G37-G40 PolarHBondContact N-O 3.3Å; G37-G40 PolarHBondContact O-N 2.96Å; G37-G40 VanDerWaalsContact O-N 3.13Å |
| 38 | S | 61.9 | Low | 84.6 | Confident | 104 Ų | 104 | 49.2 Ų | 49.2 | 73% | 0.727 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -38.2 | -178.8 | 46.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 39 | F | 65.4 | Low | 84.4 | Confident | 38 Ų | 38 | 55 Ų | 55 | 17% | 0.167 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.9 | -177.5 | -58.7 | -75.9 | 0 | 0 | 0 | 114.4 | G37 L59 K60 D74 I75 | G37-F39 PolarHBondContact O-N 3.04Å; F39-L59 HydrophobicContact CB-CD2 3.69Å; F39-L59 CarbonylContact O-C 3.55Å; F39-L59 WeakPolarHBondContact O-CA 3.39Å; F39-K60 PolarHBondContact O-N 3.25Å; F39-D74 HydrophobicContact CE1-CB 4.18Å; F39-I75 HydrophobicContact CD1-CG1 4.33Å |
| 40 | G | 73.3 | Confident | 84.4 | Confident | 16 Ų | 16 | 57.2 Ų | 57.2 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.4 | -154 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | C36 G37 E58 | C36-G40 CarbonylContact C-O 3.5Å; C36-G40 WeakPolarHBondContact CA-O 3.44Å; G37-G40 PolarHBondContact N-O 3.3Å; G37-G40 PolarHBondContact O-N 2.96Å; G37-G40 VanDerWaalsContact O-N 3.13Å; G40-E58 WeakPolarHBondContact CA-O 3.42Å |
| 41 | A | 85.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 149.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q33 Y43 E58 | Q33-A41 HydrophobicContact CG-CB 4.46Å; A41-Y43 HydrophobicContact CB-CD2 4.5Å; A41-Y43 HydrophobicContact CB-CE2 3.6Å; A41-Y43 WeakPolarHBondContact CB-OH 3.2Å; A41-E58 PolarHBondContact N-O 3.21Å; A41-E58 PolarHBondContact O-N 2.93Å |
| 42 | V | 89.7 | Confident | 84.6 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131 | 174.6 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | I34 G35 A55 I56 K57 | I34-V42 HydrophobicContact CD1-CG1 3.97Å; I34-V42 HydrophobicContact CG1-CB 4.14Å; I34-V42 HydrophobicContact CG1-CG1 3.91Å; I34-V42 WeakPolarHBondContact CG1-O 3.42Å; I34-V42 PolarHBondContact N-O 3.12Å; G35-V42 PolarHBondContact N-O 3.37Å; G35-V42 PolarHBondContact O-N 3.15Å; V42-A55 HydrophobicContact CG1-CB 4.33Å; V42-I56 CarbonylContact C-O 3.51Å; V42-I56 WeakPolarHBondContact CA-O 3.33Å; V42-K57 HydrophobicContact CG2-CB 4.4Å; V42-K57 HydrophobicContact CG2-CG 4.22Å |
| 43 | Y | 91.7 | Very high | 84.8 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.4 | -178.8 | -60.2 | -87 | 0 | 0 | 0 | 111.2 | R32 Q33 A41 A55 I56 E58 | R32-Y43 CarbonylContact O-C 3.51Å; R32-Y43 VanDerWaalsContact O-CA 3.28Å; R32-Y43 WeakPolarHBondContact O-CA 3.49Å; Q33-Y43 HydrophobicContact CB-CD1 3.87Å; Q33-Y43 HydrophobicContact CB-CE1 3.68Å; Q33-Y43 HydrophobicContact CG-CD1 4.26Å; Q33-Y43 HydrophobicContact CG-CE1 3.9Å; Q33-Y43 PolarHBondContact OE1-OH 2.99Å; A41-Y43 HydrophobicContact CB-CD2 4.5Å; A41-Y43 HydrophobicContact CB-CE2 3.6Å; A41-Y43 WeakPolarHBondContact CB-OH 3.2Å; Y43-A55 CarbonylContact O-C 3.55Å; Y43-A55 WeakPolarHBondContact O-CA 3.35Å; Y43-I56 PolarHBondContact N-O 2.87Å; Y43-I56 PolarHBondContact O-N 3.06Å; Y43-E58 HydrophobicContact CE2-CB 4.16Å |
| 44 | Y | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 138.1 | 152.1 | 172.8 | -77.7 | 0 | 0 | 0 | 107.6 | F31 R32 R46 V53 Y109 Y321 | F31-Y44 WeakPolarHBondContact CA-O 3.22Å; R32-Y44 HydrophobicContact CG-CD1 4.37Å; R32-Y44 PolarHBondContact N-O 3.16Å; R32-Y44 PolarHBondContact O-N 3.13Å; Y44-R46 PolarHBondContact OH-NH2 3.35Å; Y44-V53 HydrophobicContact CD2-CG1 3.67Å; Y44-V53 HydrophobicContact CE2-CG1 3.28Å; Y44-V53 HydrophobicContact CE2-CG2 4.41Å; Y44-V53 HydrophobicContact CG-CG1 4.47Å; Y44-Y109 HydrophobicContact CD2-CD1 4.44Å; Y44-Y109 HydrophobicContact CD2-CD2 4.05Å; Y44-Y109 HydrophobicContact CD2-CE1 4.09Å; Y44-Y109 AromaticContact CD2-CE2 3.7Å; Y44-Y109 HydrophobicContact CD2-CE2 3.7Å; Y44-Y109 HydrophobicContact CD2-CG 4.42Å; Y44-Y109 AromaticContact CD2-CZ 3.72Å; Y44-Y109 HydrophobicContact CE2-CE1 4.23Å; Y44-Y321 HydrophobicContact CD1-CD2 4.43Å; Y44-Y321 AromaticContact CD2-CD2 3.81Å; Y44-Y321 HydrophobicContact CD2-CD2 3.81Å; Y44-Y321 HydrophobicContact CD2-CG 4.37Å; Y44-Y321 VanDerWaalsContact CE2-CB 3.5Å; Y44-Y321 HydrophobicContact CE2-CD2 4.25Å; Y44-Y321 HydrophobicContact CE2-CG 4.37Å; Y44-Y321 AromaticContact CG-CD2 3.9Å; Y44-Y321 HydrophobicContact CG-CD2 3.9Å; Y44-Y321 PolarHBondContact OH-O 2.62Å; Y44-Y321 VanDerWaalsContact OH-O 3.14Å |
| 45 | A | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 165.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F28 T29 F31 V54 I56 | F28-A45 HydrophobicContact CB-CB 4.22Å; T29-A45 CarbonylContact O-C 3.45Å; T29-A45 WeakPolarHBondContact O-CA 3.32Å; T29-A45 WeakPolarHBondContact O-CB 3.42Å; F31-A45 HydrophobicContact CD1-CB 3.76Å; F31-A45 HydrophobicContact CE1-CB 3.94Å; A45-V54 HydrophobicContact CB-CG2 4.06Å; A45-V54 PolarHBondContact N-O 3.17Å; A45-V54 WeakPolarHBondContact O-CG2 3.27Å; A45-V54 PolarHBondContact O-N 2.91Å; A45-I56 HydrophobicContact CB-CD1 3.66Å; A45-I56 HydrophobicContact CB-CG1 4.2Å |
| 46 | R | 94.2 | Very high | 86.4 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.5 | 173.3 | -169.3 | 179 | -57.7 | -76.4 | -8.1 | 110.9 | F28 T29 Y44 R48 G51 E52 | F28-R46 CarbonylContact C-O 3.51Å; F28-R46 VanDerWaalsContact CA-O 3.28Å; F28-R46 WeakPolarHBondContact CA-O 3.21Å; T29-R46 HydrophobicContact CG2-CB 4.03Å; T29-R46 PolarHBondContact N-O 3.4Å; T29-R46 PolarHBondContact O-N 2.77Å; Y44-R46 PolarHBondContact OH-NH2 3.35Å; R46-R48 PolarHBondContact O-N 3.24Å; R46-G51 WeakPolarHBondContact CD-O 3.34Å; R46-G51 VanDerWaalsContact CG-O 3.23Å; R46-G51 WeakPolarHBondContact CG-O 3.38Å; R46-G51 PolarHBondContact NH1-O 3.06Å; R46-E52 CarbonylContact C-O 3.56Å; R46-E52 WeakPolarHBondContact CA-O 3.3Å |
| 47 | N | 93.2 | Very high | 87.2 | Confident | 28 Ų | 28 | 43 Ų | 43 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 124.1 | 168 | -177.6 | -40 | 0 | 0 | 0 | 109.1 | F28 T49 T50 G51 E52 | F28-N47 HydrophobicContact CD1-CB 4.11Å; F28-N47 HydrophobicContact CE1-CB 3.95Å; N47-T49 VanDerWaalsContact C-N 3.29Å; N47-T49 PolarHBondContact O-N 2.72Å; N47-T49 PolarHBondContact OD1-N 3Å; N47-T50 VanDerWaalsContact CB-OG1 3.3Å; N47-T50 WeakPolarHBondContact CB-OG1 3.28Å; N47-T50 PolarHBondContact ND2-OG1 2.94Å; N47-T50 PolarHBondContact OD1-N 2.96Å; N47-T50 VanDerWaalsContact OD1-N 3.14Å; N47-T50 PolarHBondContact OD1-OG1 3.5Å; N47-G51 VanDerWaalsContact O-CA 3.27Å; N47-G51 WeakPolarHBondContact O-CA 3.23Å; N47-G51 PolarHBondContact O-N 3.22Å; N47-E52 HydrophobicContact CB-CB 4.48Å; N47-E52 PolarHBondContact N-O 2.88Å |
| 48 | R | 93.1 | Very high | 88.5 | Confident | 138 Ų | 138 | 41.6 Ų | 41.6 | 52% | 0.521 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -28.5 | -176 | -69 | 169.8 | 179.7 | -83.6 | -2.2 | 113.4 | T26 V27 F28 T29 R46 | T26-R48 VanDerWaalsContact O-CD 3.26Å; T26-R48 WeakPolarHBondContact O-CD 3.23Å; V27-R48 WeakPolarHBondContact O-CB 3.43Å; V27-R48 WeakPolarHBondContact O-CG 3.29Å; V27-R48 PolarHBondContact O-N 2.84Å; F28-R48 PolarHBondContact O-NE 2.95Å; F28-R48 PolarHBondContact O-NH2 3.01Å; T29-R48 HydrophobicContact CG2-CG 4.02Å; T29-R48 PolarHBondContact OG1-NH2 3.06Å; R46-R48 PolarHBondContact O-N 3.24Å |
| 49 | T | 90.5 | Very high | 89.6 | Confident | 128 Ų | 128 | 36.7 Ų | 36.7 | 79% | 0.785 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -42.8 | -174.3 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | N47 | N47-T49 VanDerWaalsContact C-N 3.29Å; N47-T49 PolarHBondContact O-N 2.72Å; N47-T49 PolarHBondContact OD1-N 3Å |
| 50 | T | 92.5 | Very high | 90.1 | Very high | 93 Ų | 93 | 40 Ų | 40 | 57% | 0.571 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -11.3 | -178.1 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | N47 E52 | N47-T50 VanDerWaalsContact CB-OG1 3.3Å; N47-T50 WeakPolarHBondContact CB-OG1 3.28Å; N47-T50 PolarHBondContact ND2-OG1 2.94Å; N47-T50 PolarHBondContact OD1-N 2.96Å; N47-T50 VanDerWaalsContact OD1-N 3.14Å; N47-T50 PolarHBondContact OD1-OG1 3.5Å; T50-E52 PolarHBondContact O-N 3.41Å; T50-E52 VanDerWaalsContact O-N 3.14Å; T50-E52 WeakPolarHBondContact OG1-CB 3.26Å; T50-E52 PolarHBondContact OG1-N 3.24Å |
| 51 | G | 89.7 | Confident | 89.8 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 38% | 0.381 | 21% | 0.21 | S | C | . | . | trans | 70 | -2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | R46 N47 | R46-G51 WeakPolarHBondContact CD-O 3.34Å; R46-G51 VanDerWaalsContact CG-O 3.23Å; R46-G51 WeakPolarHBondContact CG-O 3.38Å; R46-G51 PolarHBondContact NH1-O 3.06Å; N47-G51 VanDerWaalsContact O-CA 3.27Å; N47-G51 WeakPolarHBondContact O-CA 3.23Å; N47-G51 PolarHBondContact O-N 3.22Å | ||
| 52 | E | 92.7 | Very high | 88.6 | Confident | 90 Ų | 90 | 42.2 Ų | 42.2 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | trans | -72.3 | 144.4 | -171.5 | -162.1 | -160.9 | -157.8 | 0 | 0 | 112.4 | R46 N47 T50 K94 | R46-E52 CarbonylContact C-O 3.56Å; R46-E52 WeakPolarHBondContact CA-O 3.3Å; N47-E52 HydrophobicContact CB-CB 4.48Å; N47-E52 PolarHBondContact N-O 2.88Å; T50-E52 PolarHBondContact O-N 3.41Å; T50-E52 VanDerWaalsContact O-N 3.14Å; T50-E52 WeakPolarHBondContact OG1-CB 3.26Å; T50-E52 PolarHBondContact OG1-N 3.24Å; E52-K94 IonicContact OE1-NZ 2.72Å; E52-K94 PolarHBondContact OE1-NZ 3.33Å; E52-K94 IonicContact OE2-NZ 2.86Å; E52-K94 PolarHBondContact OE2-NZ 2.92Å | ||
| 53 | V | 93.4 | Very high | 87.1 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 139.1 | 176 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | Y44 Y109 | Y44-V53 HydrophobicContact CD2-CG1 3.67Å; Y44-V53 HydrophobicContact CE2-CG1 3.28Å; Y44-V53 HydrophobicContact CE2-CG2 4.41Å; Y44-V53 HydrophobicContact CG-CG1 4.47Å; V53-Y109 HydrophobicContact CG1-CD1 3.63Å; V53-Y109 HydrophobicContact CG1-CD2 4.33Å; V53-Y109 HydrophobicContact CG1-CE1 4.38Å; V53-Y109 HydrophobicContact CG1-CG 3.6Å |
| 54 | V | 94.5 | Very high | 85.3 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 154.2 | -179.4 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | F28 A45 I56 K94 V106 M107 | F28-V54 HydrophobicContact CD1-CG2 3.69Å; F28-V54 HydrophobicContact CE1-CG1 4.27Å; F28-V54 HydrophobicContact CE1-CG2 3.71Å; A45-V54 HydrophobicContact CB-CG2 4.06Å; A45-V54 PolarHBondContact N-O 3.17Å; A45-V54 WeakPolarHBondContact O-CG2 3.27Å; A45-V54 PolarHBondContact O-N 2.91Å; V54-I56 HydrophobicContact CG2-CD1 4.13Å; V54-I56 HydrophobicContact CG2-CG1 3.95Å; V54-K94 HydrophobicContact CG1-CD 3.76Å; V54-V106 HydrophobicContact CB-CG1 3.73Å; V54-V106 HydrophobicContact CG1-CG1 3.92Å; V54-V106 HydrophobicContact CG2-CG1 3.92Å; V54-M107 WeakPolarHBondContact CA-O 3.42Å; V54-M107 WeakPolarHBondContact CB-O 3.48Å |
| 55 | A | 94.2 | Very high | 83.4 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 136.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I34 V42 Y43 V106 M107 Y109 | I34-A55 HydrophobicContact CD1-CB 4.41Å; V42-A55 HydrophobicContact CG1-CB 4.33Å; Y43-A55 CarbonylContact O-C 3.55Å; Y43-A55 WeakPolarHBondContact O-CA 3.35Å; A55-V106 CarbonylContact O-C 3.5Å; A55-V106 WeakPolarHBondContact O-CA 3.19Å; A55-M107 HydrophobicContact CB-CE 4.43Å; A55-M107 PolarHBondContact N-O 3.07Å; A55-M107 PolarHBondContact O-N 3.34Å; A55-Y109 HydrophobicContact CB-CD2 4.41Å |
| 56 | I | 93.6 | Very high | 81.4 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 109.9 | 179 | -53 | -174.3 | 0 | 0 | 0 | 109 | F28 F31 V42 Y43 A45 V54 W104 L105 V106 | F28-I56 HydrophobicContact CB-CD1 4.09Å; F28-I56 HydrophobicContact CD1-CD1 4.21Å; F28-I56 HydrophobicContact CD2-CD1 3.9Å; F28-I56 HydrophobicContact CE2-CD1 4.45Å; F28-I56 HydrophobicContact CG-CD1 3.79Å; F31-I56 HydrophobicContact CE1-CD1 4.02Å; V42-I56 CarbonylContact C-O 3.51Å; V42-I56 WeakPolarHBondContact CA-O 3.33Å; Y43-I56 PolarHBondContact N-O 2.87Å; Y43-I56 PolarHBondContact O-N 3.06Å; A45-I56 HydrophobicContact CB-CD1 3.66Å; A45-I56 HydrophobicContact CB-CG1 4.2Å; V54-I56 HydrophobicContact CG2-CD1 4.13Å; V54-I56 HydrophobicContact CG2-CG1 3.95Å; I56-W104 HydrophobicContact CG2-CB 3.98Å; I56-W104 HydrophobicContact CG2-CD2 4.14Å; I56-W104 HydrophobicContact CG2-CE3 3.9Å; I56-W104 HydrophobicContact CG2-CG 4.22Å; I56-L105 CarbonylContact C-O 3.59Å; I56-L105 WeakPolarHBondContact CA-O 3.38Å; I56-V106 HydrophobicContact CD1-CG2 4.31Å; I56-V106 HydrophobicContact CG1-CG1 4.3Å; I56-V106 HydrophobicContact CG1-CG2 4.14Å; I56-V106 HydrophobicContact CG2-CG2 4.44Å |
| 57 | K | 91.9 | Very high | 79.6 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 108.6 | 174.1 | -171.6 | 179.7 | -174.8 | -171.9 | 0 | 108.3 | V42 L59 E78 L105 M107 D171 | V42-K57 HydrophobicContact CG2-CB 4.4Å; V42-K57 HydrophobicContact CG2-CG 4.22Å; K57-L59 HydrophobicContact CD-CD2 3.77Å; K57-L59 HydrophobicContact CG-CD2 3.71Å; K57-L59 HydrophobicContact CG-CG 4.31Å; K57-E78 IonicContact NZ-OE1 3.6Å; K57-E78 PolarHBondContact NZ-OE1 3.29Å; K57-E78 IonicContact NZ-OE2 3.01Å; K57-E78 PolarHBondContact NZ-OE2 2.9Å; K57-L105 HydrophobicContact CB-CB 4.35Å; K57-L105 HydrophobicContact CD-CD2 4.39Å; K57-L105 PolarHBondContact N-O 2.92Å; K57-L105 PolarHBondContact O-N 3.28Å; K57-M107 HydrophobicContact CB-CE 3.79Å; K57-D171 IonicContact NZ-OD1 3.15Å; K57-D171 PolarHBondContact NZ-OD1 3.25Å |
| 58 | E | 90.4 | Very high | 78.3 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 110.5 | 174.6 | 178.4 | 174.3 | -125.1 | 0 | 0 | 109.4 | G40 A41 Y43 K60 T102 W104 | G40-E58 WeakPolarHBondContact CA-O 3.42Å; A41-E58 PolarHBondContact N-O 3.21Å; A41-E58 PolarHBondContact O-N 2.93Å; Y43-E58 HydrophobicContact CE2-CB 4.16Å; E58-K60 HydrophobicContact CG-CG 4.32Å; E58-K60 PolarHBondContact O-N 2.9Å; E58-K60 WeakPolarHBondContact OE2-CE 3.38Å; E58-K60 IonicContact OE2-NZ 3.43Å; E58-K60 PolarHBondContact OE2-NZ 3.38Å; E58-T102 HydrophobicContact CG-CG2 3.51Å; E58-W104 PolarHBondContact OE1-NE1 2.88Å |
| 59 | L | 85.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 99.3 | -170.6 | -62.9 | 170.5 | 0 | 0 | 0 | 110.9 | F39 K57 I75 I79 T102 P103 L105 | F39-L59 HydrophobicContact CB-CD2 3.69Å; F39-L59 CarbonylContact O-C 3.55Å; F39-L59 WeakPolarHBondContact O-CA 3.39Å; K57-L59 HydrophobicContact CD-CD2 3.77Å; K57-L59 HydrophobicContact CG-CD2 3.71Å; K57-L59 HydrophobicContact CG-CG 4.31Å; L59-I75 HydrophobicContact CB-CD1 3.88Å; L59-I75 HydrophobicContact CB-CG1 4.07Å; L59-I75 HydrophobicContact CB-CG2 4.35Å; L59-I75 HydrophobicContact CD1-CG1 4.38Å; L59-I75 HydrophobicContact CD1-CG2 3.87Å; L59-I75 HydrophobicContact CD2-CG1 4.47Å; L59-I79 HydrophobicContact CD1-CD1 4.29Å; L59-I79 HydrophobicContact CD1-CG1 4.43Å; L59-T102 WeakPolarHBondContact O-CG2 3.27Å; L59-P103 HydrophobicContact CB-CB 4.2Å; L59-P103 HydrophobicContact CD1-CB 4.31Å; L59-P103 PolarHBondContact N-O 3.05Å; L59-L105 HydrophobicContact CD1-CB 4.01Å; L59-L105 HydrophobicContact CD1-CD2 4.31Å |
| 60 | K | 76.1 | Confident | 76.5 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 47% | 0.47 | 35% | 0.347 | S | S | . | . | trans | -92.9 | 121.6 | -174.7 | -76.8 | 165.6 | 165.1 | 147.6 | 0 | 111.5 | F39 E58 T102 | F39-K60 PolarHBondContact O-N 3.25Å; E58-K60 HydrophobicContact CG-CG 4.32Å; E58-K60 PolarHBondContact O-N 2.9Å; E58-K60 WeakPolarHBondContact OE2-CE 3.38Å; E58-K60 IonicContact OE2-NZ 3.43Å; E58-K60 PolarHBondContact OE2-NZ 3.38Å; K60-T102 HydrophobicContact CG-CG2 4.25Å | ||
| 61 | V | 66.2 | Low | 75.6 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 13% | 0.127 | 33% | 0.327 | C | S | . | . | trans | -95.4 | 130.7 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | M1 T63 S68 E71 W72 I75 | M1-V61 HydrophobicContact CE-CB 4.37Å; M1-V61 HydrophobicContact CE-CG2 4.47Å; V61-T63 VanDerWaalsContact C-N 3.33Å; V61-T63 PolarHBondContact O-N 3.05Å; V61-S68 VanDerWaalsContact CG1-CB 3.44Å; V61-S68 WeakPolarHBondContact CG1-O 3.39Å; V61-E71 HydrophobicContact CG1-CB 4.25Å; V61-W72 HydrophobicContact CG2-CE3 4.39Å; V61-I75 HydrophobicContact CG2-CD1 3.57Å | ||
| 62 | D | 60.6 | Low | 75.2 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | trans | -79 | 86.7 | 176.2 | -168.6 | -16.6 | 0 | 0 | 0 | 111 | K64 R65 E71 | D62-K64 PolarHBondContact O-N 2.9Å; D62-K64 WeakPolarHBondContact OD1-CB 3.47Å; D62-K64 PolarHBondContact OD1-N 2.65Å; D62-R65 HydrophobicContact CB-CG 4.46Å; D62-R65 PolarHBondContact O-N 2.83Å; D62-R65 IonicContact OD2-CZ 2.75Å; D62-R65 IonicContact OD2-NE 2.93Å; D62-R65 PolarHBondContact OD2-NE 3.03Å; D62-R65 IonicContact OD2-NH2 3.38Å; D62-R65 PolarHBondContact OD2-NH2 3.36Å; D62-E71 PolarHBondContact N-OE2 3.37Å | ||
| 63 | T | 58.5 | Low | 74.8 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -7.7 | -180 | 66.1 | 0 | 0 | 0 | 0 | 115.7 | M1 V61 | M1-T63 HydrophobicContact CG-CG2 3.79Å; V61-T63 VanDerWaalsContact C-N 3.33Å; V61-T63 PolarHBondContact O-N 3.05Å |
| 64 | K | 53.3 | Low | 74.3 | Confident | 198 Ų | 198 | 68.5 Ų | 68.5 | 86% | 0.861 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1.7 | 176.5 | -60.8 | -178.6 | 178.4 | 178.4 | 0 | 113.4 | D62 | D62-K64 PolarHBondContact O-N 2.9Å; D62-K64 WeakPolarHBondContact OD1-CB 3.47Å; D62-K64 PolarHBondContact OD1-N 2.65Å |
| 65 | R | 53.6 | Low | 73.8 | Confident | 154 Ų | 154 | 68.5 Ų | 68.5 | 58% | 0.581 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -119.4 | 150.6 | -178.6 | -52 | -175.2 | -153.8 | -179.3 | 16.4 | 112 | D62 K67 S68 | D62-R65 HydrophobicContact CB-CG 4.46Å; D62-R65 PolarHBondContact O-N 2.83Å; D62-R65 IonicContact OD2-CZ 2.75Å; D62-R65 IonicContact OD2-NE 2.93Å; D62-R65 PolarHBondContact OD2-NE 3.03Å; D62-R65 IonicContact OD2-NH2 3.38Å; D62-R65 PolarHBondContact OD2-NH2 3.36Å; R65-K67 HydrophobicContact CB-CB 4.33Å; R65-K67 PolarHBondContact O-N 2.89Å; R65-K67 VanDerWaalsContact O-N 3.11Å; R65-S68 PolarHBondContact O-N 3.43Å; R65-S68 PolarHBondContact O-OG 3.29Å |
| 66 | K | 50.9 | Low | 73.5 | Confident | 215 Ų | 215 | 68.9 Ų | 68.9 | 94% | 0.935 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -26.5 | 167.5 | -80.2 | -167.7 | 172.4 | -171 | 0 | 112.7 | S68 | K66-S68 PolarHBondContact O-N 3.38Å; K66-S68 VanDerWaalsContact O-N 3.15Å |
| 67 | K | 58.1 | Low | 73.2 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 41% | 0.409 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -8.9 | -179.4 | -142.4 | -157.6 | 169.9 | -148.6 | 0 | 115.2 | R65 E69 E70 E71 | R65-K67 HydrophobicContact CB-CB 4.33Å; R65-K67 PolarHBondContact O-N 2.89Å; R65-K67 VanDerWaalsContact O-N 3.11Å; K67-E69 PolarHBondContact O-N 2.96Å; K67-E69 VanDerWaalsContact O-N 3.09Å; K67-E70 WeakPolarHBondContact CE-OE2 3.41Å; K67-E70 HydrophobicContact CG-CB 4.24Å; K67-E70 WeakPolarHBondContact CG-OE2 3.49Å; K67-E70 PolarHBondContact O-N 2.72Å; K67-E70 VanDerWaalsContact O-N 3.14Å; K67-E71 HydrophobicContact CD-CG 4.2Å; K67-E71 HydrophobicContact CG-CG 4.5Å; K67-E71 WeakPolarHBondContact O-CG 3.18Å; K67-E71 PolarHBondContact O-N 2.88Å |
| 68 | S | 65 | Low | 73.1 | Confident | 31 Ų | 31 | 73 Ų | 73 | 22% | 0.217 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.2 | -19.7 | -175.3 | 45.9 | 0 | 0 | 0 | 0 | 115.1 | V61 R65 K66 W72 | V61-S68 VanDerWaalsContact CG1-CB 3.44Å; V61-S68 WeakPolarHBondContact CG1-O 3.39Å; R65-S68 PolarHBondContact O-N 3.43Å; R65-S68 PolarHBondContact O-OG 3.29Å; K66-S68 PolarHBondContact O-N 3.38Å; K66-S68 VanDerWaalsContact O-N 3.15Å; S68-W72 VanDerWaalsContact O-CB 3.3Å; S68-W72 WeakPolarHBondContact O-CB 3.36Å; S68-W72 PolarHBondContact O-N 2.98Å |
| 69 | E | 71.6 | Confident | 73 | Confident | 147 Ų | 147 | 72.4 Ų | 72.4 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -83.3 | -38.2 | 174.4 | -172.4 | 162.2 | -149.2 | 0 | 0 | 112.9 | K67 W72 N73 | K67-E69 PolarHBondContact O-N 2.96Å; K67-E69 VanDerWaalsContact O-N 3.09Å; E69-W72 PolarHBondContact O-N 2.75Å; E69-N73 WeakPolarHBondContact O-CB 3.38Å; E69-N73 VanDerWaalsContact O-CG 3.26Å; E69-N73 PolarHBondContact O-N 2.71Å; E69-N73 PolarHBondContact O-ND2 3.31Å; E69-N73 VanDerWaalsContact O-ND2 3.1Å |
| 70 | E | 73.3 | Confident | 73.3 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 170.1 | -62.6 | 173.7 | -175.3 | 0 | 0 | 110.5 | K67 W72 N73 D74 | K67-E70 WeakPolarHBondContact CE-OE2 3.41Å; K67-E70 HydrophobicContact CG-CB 4.24Å; K67-E70 WeakPolarHBondContact CG-OE2 3.49Å; K67-E70 PolarHBondContact O-N 2.72Å; K67-E70 VanDerWaalsContact O-N 3.14Å; E70-W72 VanDerWaalsContact C-N 3.28Å; E70-W72 PolarHBondContact O-N 2.76Å; E70-N73 PolarHBondContact O-N 2.89Å; E70-N73 VanDerWaalsContact O-N 3.14Å; E70-D74 PolarHBondContact O-N 3.36Å |
| 71 | E | 75 | Confident | 74 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 15% | 0.15 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59 | -38.5 | 177.7 | -70.1 | 169.4 | -169.1 | 0 | 0 | 111.9 | V61 D62 K67 I75 | V61-E71 HydrophobicContact CG1-CB 4.25Å; D62-E71 PolarHBondContact N-OE2 3.37Å; K67-E71 HydrophobicContact CD-CG 4.2Å; K67-E71 HydrophobicContact CG-CG 4.5Å; K67-E71 WeakPolarHBondContact O-CG 3.18Å; K67-E71 PolarHBondContact O-N 2.88Å; E71-I75 WeakPolarHBondContact O-CD1 3.45Å; E71-I75 WeakPolarHBondContact O-CG1 3.36Å; E71-I75 PolarHBondContact O-N 2.99Å; E71-I75 VanDerWaalsContact O-N 3.12Å |
| 72 | W | 81.7 | Confident | 75.2 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 173.8 | 176.6 | -100.2 | 0 | 0 | 0 | 112.6 | L5 V9 F19 V61 S68 E69 E70 D74 I75 V76 M98 P103 | L5-W72 HydrophobicContact CD2-CD2 4.4Å; L5-W72 HydrophobicContact CD2-CZ2 4.5Å; V9-W72 HydrophobicContact CG2-CH2 3.68Å; V9-W72 HydrophobicContact CG2-CZ2 3.52Å; F19-W72 HydrophobicContact CZ-CH2 4.34Å; V61-W72 HydrophobicContact CG2-CE3 4.39Å; S68-W72 VanDerWaalsContact O-CB 3.3Å; S68-W72 WeakPolarHBondContact O-CB 3.36Å; S68-W72 PolarHBondContact O-N 2.98Å; E69-W72 PolarHBondContact O-N 2.75Å; E70-W72 VanDerWaalsContact C-N 3.28Å; E70-W72 PolarHBondContact O-N 2.76Å; W72-D74 VanDerWaalsContact C-N 3.31Å; W72-D74 PolarHBondContact O-N 2.91Å; W72-I75 WeakPolarHBondContact O-CB 3.37Å; W72-I75 PolarHBondContact O-N 3.32Å; W72-V76 HydrophobicContact CD2-CG2 4.28Å; W72-V76 HydrophobicContact CZ2-CG2 3.67Å; W72-V76 WeakPolarHBondContact O-CG2 3.3Å; W72-V76 PolarHBondContact O-N 2.83Å; W72-M98 HydrophobicContact CH2-CE 4.17Å; W72-P103 HydrophobicContact CH2-CG 4.07Å; W72-P103 HydrophobicContact CZ3-CG 3.57Å |
| 73 | N | 83.1 | Confident | 76.6 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.7 | -32.9 | 179 | -73.5 | -33.4 | 0 | 0 | 0 | 112.3 | E69 E70 R77 | E69-N73 WeakPolarHBondContact O-CB 3.38Å; E69-N73 VanDerWaalsContact O-CG 3.26Å; E69-N73 PolarHBondContact O-N 2.71Å; E69-N73 PolarHBondContact O-ND2 3.31Å; E69-N73 VanDerWaalsContact O-ND2 3.1Å; E70-N73 PolarHBondContact O-N 2.89Å; E70-N73 VanDerWaalsContact O-N 3.14Å; N73-R77 WeakPolarHBondContact O-CB 3.3Å; N73-R77 PolarHBondContact O-N 3.46Å |
| 74 | D | 82.6 | Confident | 78.1 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 171.5 | -69.3 | -20.1 | 0 | 0 | 0 | 111.5 | F39 E70 W72 R77 E78 | F39-D74 HydrophobicContact CE1-CB 4.18Å; E70-D74 PolarHBondContact O-N 3.36Å; W72-D74 VanDerWaalsContact C-N 3.31Å; W72-D74 PolarHBondContact O-N 2.91Å; D74-R77 WeakPolarHBondContact O-CB 3.44Å; D74-R77 PolarHBondContact O-N 3.41Å; D74-R77 VanDerWaalsContact O-N 3.17Å; D74-R77 IonicContact OD1-CZ 2.76Å; D74-R77 IonicContact OD1-NH1 2.76Å; D74-R77 PolarHBondContact OD1-NH1 2.86Å; D74-R77 IonicContact OD1-NH2 2.62Å; D74-R77 PolarHBondContact OD1-NH2 2.91Å; D74-E78 PolarHBondContact O-N 3.31Å |
| 75 | I | 85 | Confident | 80 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 174.3 | -78 | 163.4 | 0 | 0 | 0 | 111.8 | F39 L59 V61 E71 W72 R77 E78 I79 P103 | F39-I75 HydrophobicContact CD1-CG1 4.33Å; L59-I75 HydrophobicContact CB-CD1 3.88Å; L59-I75 HydrophobicContact CB-CG1 4.07Å; L59-I75 HydrophobicContact CB-CG2 4.35Å; L59-I75 HydrophobicContact CD1-CG1 4.38Å; L59-I75 HydrophobicContact CD1-CG2 3.87Å; L59-I75 HydrophobicContact CD2-CG1 4.47Å; V61-I75 HydrophobicContact CG2-CD1 3.57Å; E71-I75 WeakPolarHBondContact O-CD1 3.45Å; E71-I75 WeakPolarHBondContact O-CG1 3.36Å; E71-I75 PolarHBondContact O-N 2.99Å; E71-I75 VanDerWaalsContact O-N 3.12Å; W72-I75 WeakPolarHBondContact O-CB 3.37Å; W72-I75 PolarHBondContact O-N 3.32Å; I75-R77 VanDerWaalsContact C-N 3.27Å; I75-R77 PolarHBondContact O-N 2.72Å; I75-E78 PolarHBondContact O-N 3.42Å; I75-I79 HydrophobicContact CG2-CD1 3.85Å; I75-I79 WeakPolarHBondContact O-CG1 3.31Å; I75-I79 PolarHBondContact O-N 3.46Å; I75-P103 HydrophobicContact CG2-CB 4.49Å; I75-P103 HydrophobicContact CG2-CG 4.18Å |
| 76 | V | 86.9 | Confident | 81.8 | Confident | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 176.2 | 167.4 | 0 | 0 | 0 | 0 | 111 | L15 W72 K80 | L15-V76 HydrophobicContact CD2-CG1 3.6Å; L15-V76 HydrophobicContact CD2-CG2 4.21Å; W72-V76 HydrophobicContact CD2-CG2 4.28Å; W72-V76 HydrophobicContact CZ2-CG2 3.67Å; W72-V76 WeakPolarHBondContact O-CG2 3.3Å; W72-V76 PolarHBondContact O-N 2.83Å; V76-K80 HydrophobicContact CG1-CD 4.11Å; V76-K80 HydrophobicContact CG1-CG 4.34Å; V76-K80 VanDerWaalsContact O-CB 3.31Å; V76-K80 WeakPolarHBondContact O-CB 2.97Å; V76-K80 WeakPolarHBondContact O-CG 3.35Å; V76-K80 PolarHBondContact O-N 3.4Å |
| 77 | R | 87.7 | Confident | 83.9 | Confident | 101 Ų | 101 | 49.6 Ų | 49.6 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -43.1 | 175.8 | -161.1 | -174.4 | -47.6 | 107.5 | 10.2 | 111.8 | N73 D74 I75 F81 F177 | N73-R77 WeakPolarHBondContact O-CB 3.3Å; N73-R77 PolarHBondContact O-N 3.46Å; D74-R77 WeakPolarHBondContact O-CB 3.44Å; D74-R77 PolarHBondContact O-N 3.41Å; D74-R77 VanDerWaalsContact O-N 3.17Å; D74-R77 IonicContact OD1-CZ 2.76Å; D74-R77 IonicContact OD1-NH1 2.76Å; D74-R77 PolarHBondContact OD1-NH1 2.86Å; D74-R77 IonicContact OD1-NH2 2.62Å; D74-R77 PolarHBondContact OD1-NH2 2.91Å; I75-R77 VanDerWaalsContact C-N 3.27Å; I75-R77 PolarHBondContact O-N 2.72Å; R77-F81 VanDerWaalsContact O-CB 3.25Å; R77-F81 WeakPolarHBondContact O-CB 3.35Å; R77-F81 PolarHBondContact O-N 2.98Å; R77-F177 HydrophobicContact CG-CD2 4.3Å; R77-F177 HydrophobicContact CG-CE2 3.84Å |
| 78 | E | 89.5 | Confident | 85.7 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 176.3 | -168.8 | -174.6 | 161.2 | 0 | 0 | 111.3 | K57 D74 I75 F81 L82 | K57-E78 IonicContact NZ-OE1 3.6Å; K57-E78 PolarHBondContact NZ-OE1 3.29Å; K57-E78 IonicContact NZ-OE2 3.01Å; K57-E78 PolarHBondContact NZ-OE2 2.9Å; D74-E78 PolarHBondContact O-N 3.31Å; I75-E78 PolarHBondContact O-N 3.42Å; E78-F81 PolarHBondContact O-N 2.82Å; E78-F81 VanDerWaalsContact O-N 3.11Å; E78-L82 HydrophobicContact CG-CD1 4.06Å; E78-L82 WeakPolarHBondContact O-CB 3.5Å; E78-L82 PolarHBondContact O-N 2.78Å |
| 79 | I | 88.9 | Confident | 87.2 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 178.3 | -66.1 | 165.5 | 0 | 0 | 0 | 110.7 | Y18 F19 L59 I75 F81 S83 C96 P103 | Y18-I79 HydrophobicContact CG-CG2 4.45Å; F19-I79 HydrophobicContact CE1-CD1 4.28Å; F19-I79 HydrophobicContact CZ-CD1 3.78Å; L59-I79 HydrophobicContact CD1-CD1 4.29Å; L59-I79 HydrophobicContact CD1-CG1 4.43Å; I75-I79 HydrophobicContact CG2-CD1 3.85Å; I75-I79 WeakPolarHBondContact O-CG1 3.31Å; I75-I79 PolarHBondContact O-N 3.46Å; I79-F81 PolarHBondContact O-N 2.98Å; I79-S83 WeakPolarHBondContact O-CB 2.86Å; I79-S83 PolarHBondContact O-N 3.07Å; I79-S83 VanDerWaalsContact O-N 3.13Å; I79-S83 PolarHBondContact O-OG 2.93Å; I79-C96 HydrophobicContact CG2-CB 4.42Å; I79-P103 HydrophobicContact CD1-CB 4.43Å |
| 80 | K | 90.9 | Very high | 88.4 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -30.1 | 175.2 | -75.3 | -173 | 174.3 | -171.1 | 0 | 111.7 | E14 Y18 V76 S83 H84 F177 | E14-K80 IonicContact OE2-NZ 3.17Å; E14-K80 PolarHBondContact OE2-NZ 3.23Å; Y18-K80 HydrophobicContact CD2-CG 4.25Å; Y18-K80 HydrophobicContact CE2-CD 4.26Å; Y18-K80 HydrophobicContact CE2-CG 3.67Å; V76-K80 HydrophobicContact CG1-CD 4.11Å; V76-K80 HydrophobicContact CG1-CG 4.34Å; V76-K80 VanDerWaalsContact O-CB 3.31Å; V76-K80 WeakPolarHBondContact O-CB 2.97Å; V76-K80 WeakPolarHBondContact O-CG 3.35Å; V76-K80 PolarHBondContact O-N 3.4Å; K80-S83 PolarHBondContact O-OG 3.39Å; K80-S83 VanDerWaalsContact O-OG 3.08Å; K80-H84 PolarHBondContact O-CE1 3.38Å; K80-H84 PolarHBondContact O-ND1 3.31Å; K80-F177 HydrophobicContact CB-CZ 3.94Å |
| 81 | F | 92 | Very high | 89.4 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.5 | -52.8 | -178.6 | -172.9 | -85.8 | 0 | 0 | 0 | 111.1 | R77 E78 I79 S83 H84 L85 L144 R149 F172 A175 S176 F177 | R77-F81 VanDerWaalsContact O-CB 3.25Å; R77-F81 WeakPolarHBondContact O-CB 3.35Å; R77-F81 PolarHBondContact O-N 2.98Å; E78-F81 PolarHBondContact O-N 2.82Å; E78-F81 VanDerWaalsContact O-N 3.11Å; I79-F81 PolarHBondContact O-N 2.98Å; F81-S83 VanDerWaalsContact C-N 3.27Å; F81-S83 PolarHBondContact O-N 2.78Å; F81-H84 PolarHBondContact O-N 3.5Å; F81-L85 HydrophobicContact CD1-CD1 4.22Å; F81-L85 HydrophobicContact CD1-CD2 4.29Å; F81-L85 HydrophobicContact CD1-CG 4.4Å; F81-L85 HydrophobicContact CE1-CD1 3.97Å; F81-L85 HydrophobicContact CE1-CD2 3.79Å; F81-L85 HydrophobicContact CE1-CG 4.25Å; F81-L85 HydrophobicContact CZ-CD2 4.34Å; F81-L144 HydrophobicContact CE1-CD2 4.32Å; F81-L144 HydrophobicContact CZ-CD2 4.21Å; F81-R149 HydrophobicContact CE2-CB 3.88Å; F81-R149 HydrophobicContact CE2-CG 3.86Å; F81-R149 HydrophobicContact CZ-CB 3.79Å; F81-R149 HydrophobicContact CZ-CG 4.05Å; F81-F172 HydrophobicContact CD1-CB 3.77Å; F81-F172 AromaticContact CD1-CD1 3.85Å; F81-F172 HydrophobicContact CD1-CD1 3.85Å; F81-F172 AromaticContact CD1-CG 3.95Å; F81-F172 HydrophobicContact CD1-CG 3.95Å; F81-F172 HydrophobicContact CE1-CB 4.15Å; F81-F172 AromaticContact CE1-CD1 3.35Å; F81-F172 HydrophobicContact CE1-CD1 3.35Å; F81-F172 AromaticContact CE1-CE1 3.96Å; F81-F172 HydrophobicContact CE1-CE1 3.96Å; F81-F172 AromaticContact CE1-CG 3.95Å; F81-F172 HydrophobicContact CE1-CG 3.95Å; F81-F172 HydrophobicContact CZ-CD1 4.33Å; F81-A175 HydrophobicContact CD1-CB 4Å; F81-A175 HydrophobicContact CD2-CB 3.98Å; F81-A175 HydrophobicContact CE1-CB 3.82Å; F81-A175 HydrophobicContact CE2-CB 3.79Å; F81-A175 HydrophobicContact CG-CB 4.07Å; F81-A175 HydrophobicContact CZ-CB 3.7Å; F81-S176 WeakPolarHBondContact CE2-O 3.41Å; F81-F177 VanDerWaalsContact CA-CZ 3.4Å; F81-F177 HydrophobicContact CB-CE1 4.34Å; F81-F177 HydrophobicContact CB-CE2 3.97Å; F81-F177 HydrophobicContact CB-CZ 3.76Å; F81-F177 HydrophobicContact CD2-CD1 4.01Å; F81-F177 HydrophobicContact CD2-CD2 4.01Å; F81-F177 HydrophobicContact CD2-CE1 4.02Å; F81-F177 HydrophobicContact CD2-CE2 4.01Å; F81-F177 HydrophobicContact CD2-CG 4.03Å; F81-F177 HydrophobicContact CD2-CZ 4.04Å; F81-F177 HydrophobicContact CG-CZ 4.37Å |
| 82 | L | 91.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.3 | -40.8 | 177.3 | -84.4 | 166.6 | 0 | 0 | 0 | 112.3 | E78 H84 L85 V91 P93 L105 M107 F172 | E78-L82 HydrophobicContact CG-CD1 4.06Å; E78-L82 WeakPolarHBondContact O-CB 3.5Å; E78-L82 PolarHBondContact O-N 2.78Å; L82-H84 PolarHBondContact O-N 3.06Å; L82-L85 HydrophobicContact CD2-CD1 4.17Å; L82-L85 PolarHBondContact O-N 3.4Å; L82-V91 WeakPolarHBondContact CD2-O 3.46Å; L82-P93 HydrophobicContact CB-CB 4.25Å; L82-P93 HydrophobicContact CB-CG 4.02Å; L82-P93 WeakPolarHBondContact O-CD 3.42Å; L82-P93 WeakPolarHBondContact O-CG 3.49Å; L82-L105 HydrophobicContact CD1-CD1 4.31Å; L82-L105 HydrophobicContact CD1-CD2 3.55Å; L82-L105 HydrophobicContact CD1-CG 4.43Å; L82-M107 HydrophobicContact CD1-SD 4.48Å; L82-F172 HydrophobicContact CD2-CD2 3.45Å; L82-F172 VanDerWaalsContact CD2-CD2 3.45Å; L82-F172 HydrophobicContact CD2-CE2 3.85Å; L82-F172 HydrophobicContact CD2-CG 4.33Å; L82-F172 HydrophobicContact CG-CD2 4.11Å |
| 83 | S | 89.9 | Confident | 90.8 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.5 | -177.3 | 73.5 | 0 | 0 | 0 | 0 | 115 | Y18 I79 K80 F81 | Y18-S83 WeakPolarHBondContact CE1-OG 3.25Å; I79-S83 WeakPolarHBondContact O-CB 2.86Å; I79-S83 PolarHBondContact O-N 3.07Å; I79-S83 VanDerWaalsContact O-N 3.13Å; I79-S83 PolarHBondContact O-OG 2.93Å; K80-S83 PolarHBondContact O-OG 3.39Å; K80-S83 VanDerWaalsContact O-OG 3.08Å; F81-S83 VanDerWaalsContact C-N 3.27Å; F81-S83 PolarHBondContact O-N 2.78Å |
| 84 | H | 90.4 | Very high | 91.2 | Very high | 91 Ų | 91 | 38.3 Ų | 38.3 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 3 | 176.2 | -66.5 | 84.1 | 0 | 0 | 0 | 112.9 | K80 F81 L82 | K80-H84 PolarHBondContact O-CE1 3.38Å; K80-H84 PolarHBondContact O-ND1 3.31Å; F81-H84 PolarHBondContact O-N 3.5Å; L82-H84 PolarHBondContact O-N 3.06Å |
| 85 | L | 92.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | trans | -89.3 | 134.1 | 179 | -55.1 | -171.7 | 0 | 0 | 0 | 111.1 | F81 L82 C90 Y143 L144 F172 | F81-L85 HydrophobicContact CD1-CD1 4.22Å; F81-L85 HydrophobicContact CD1-CD2 4.29Å; F81-L85 HydrophobicContact CD1-CG 4.4Å; F81-L85 HydrophobicContact CE1-CD1 3.97Å; F81-L85 HydrophobicContact CE1-CD2 3.79Å; F81-L85 HydrophobicContact CE1-CG 4.25Å; F81-L85 HydrophobicContact CZ-CD2 4.34Å; L82-L85 HydrophobicContact CD2-CD1 4.17Å; L82-L85 PolarHBondContact O-N 3.4Å; L85-C90 HydrophobicContact CD1-CB 4.17Å; L85-Y143 HydrophobicContact CD2-CE1 4.28Å; L85-L144 HydrophobicContact CD2-CD2 3.65Å; L85-F172 HydrophobicContact CD1-CD1 4.15Å; L85-F172 HydrophobicContact CD1-CD2 4.11Å; L85-F172 HydrophobicContact CD1-CE1 3.72Å; L85-F172 HydrophobicContact CD1-CE2 3.7Å; L85-F172 HydrophobicContact CD1-CG 4.31Å; L85-F172 HydrophobicContact CD1-CZ 3.49Å; L85-F172 VanDerWaalsContact CD1-CZ 3.49Å | ||
| 86 | S | 91.8 | Very high | 91.9 | Very high | 99 Ų | 99 | 37.8 Ų | 37.8 | 69% | 0.692 | 20% | 0.199 | S | C | * | . | trans | -147 | 77.2 | 174.3 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | Y143 | S86-Y143 PolarHBondContact N-OH 3.49Š| ||
| 87 | H | 95.8 | Very high | 92.1 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 19% | 0.185 | 20% | 0.198 | C | C | . | . | trans | -151.2 | 145 | -179.1 | -175.3 | -113.7 | 0 | 0 | 0 | 112.3 | N89 C90 T139 Y143 | H87-N89 VanDerWaalsContact C-N 3.27Å; H87-N89 PolarHBondContact CE1-OD1 2.73Å; H87-N89 PolarHBondContact ND1-N 3.37Å; H87-N89 PolarHBondContact O-N 3.24Å; H87-C90 PolarHBondContact O-N 2.88Å; H87-T139 PolarHBondContact CE1-O 3.39Å; H87-Y143 HydrophobicContact CB-CD1 3.37Å; H87-Y143 HydrophobicContact CB-CD2 4.15Å; H87-Y143 HydrophobicContact CB-CE1 3.49Å; H87-Y143 VanDerWaalsContact CB-CE1 3.49Å; H87-Y143 HydrophobicContact CB-CE2 4.27Å; H87-Y143 HydrophobicContact CB-CG 3.71Å; H87-Y143 AromaticContact CG-CD1 3.77Å; H87-Y143 AromaticContact CG-CG 3.74Å | ||
| 88 | K | 95.4 | Very high | 92.1 | Very high | 107 Ų | 107 | 33.3 Ų | 33.3 | 47% | 0.465 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -37.4 | -174.1 | 74.2 | -176.1 | 175.5 | 66.1 | 0 | 113.1 | E136 K168 | K88-E136 IonicContact NZ-OE1 3.34Å; K88-E136 PolarHBondContact NZ-OE1 3.49Å; K88-E136 IonicContact NZ-OE2 3.96Å; K88-E136 PolarHBondContact NZ-OE2 3.03Å; K88-K168 WeakPolarHBondContact O-CE 3.32Å; K88-K168 WeakPolarHBondContact O-CG 3.39Å; K88-K168 PolarHBondContact O-NZ 2.97Å |
| 89 | N | 96.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 18.4 | -176.9 | -55.7 | 112.9 | 0 | 0 | 0 | 114.4 | H87 E136 V167 I169 | H87-N89 VanDerWaalsContact C-N 3.27Å; H87-N89 PolarHBondContact CE1-OD1 2.73Å; H87-N89 PolarHBondContact ND1-N 3.37Å; H87-N89 PolarHBondContact O-N 3.24Å; N89-E136 WeakPolarHBondContact CB-O 3.47Å; N89-E136 PolarHBondContact ND2-OE2 3.04Å; N89-E136 PolarHBondContact OD1-O 3.36Å; N89-V167 WeakPolarHBondContact CA-O 3.34Å; N89-V167 PolarHBondContact ND2-O 3.23Å; N89-I169 WeakPolarHBondContact O-CG1 3.46Å; N89-I169 PolarHBondContact O-N 3.31Å |
| 90 | C | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -116.1 | 150.7 | 167 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | L85 H87 L92 K168 F172 | L85-C90 HydrophobicContact CD1-CB 4.17Å; H87-C90 PolarHBondContact O-N 2.88Å; C90-L92 PolarHBondContact O-N 2.85Å; C90-K168 PolarHBondContact O-NZ 3.16Å; C90-K168 VanDerWaalsContact O-NZ 3.15Å; C90-F172 HydrophobicContact CB-CZ 4.08Å |
| 91 | V | 94.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 117.6 | 168.1 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | L82 M107 E108 L160 K168 I169 | L82-V91 WeakPolarHBondContact CD2-O 3.46Å; V91-M107 HydrophobicContact CG1-CB 3.88Å; V91-M107 HydrophobicContact CG1-CG 4.21Å; V91-M107 HydrophobicContact CG1-SD 3.92Å; V91-E108 WeakPolarHBondContact CA-OE1 3.38Å; V91-E108 HydrophobicContact CG1-CG 4.23Å; V91-L160 HydrophobicContact CG2-CD1 3.82Å; V91-L160 HydrophobicContact CG2-CG 4.47Å; V91-K168 HydrophobicContact CG2-CB 3.96Å; V91-I169 WeakPolarHBondContact CG2-O 3.23Å; V91-I169 PolarHBondContact N-O 3.34Å |
| 92 | L | 92.7 | Very high | 90.3 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.277 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -88.4 | 135.9 | -178 | -57.1 | -179.1 | 0 | 0 | 0 | 111.5 | C90 M107 E108 | C90-L92 PolarHBondContact O-N 2.85Å; L92-M107 WeakPolarHBondContact O-CA 3.32Å; L92-E108 PolarHBondContact N-OE1 3.01Å; L92-E108 PolarHBondContact O-N 2.91Å; L92-E108 VanDerWaalsContact O-N 3.14Å |
| 93 | P | 92.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 147.6 | 169.9 | 34.4 | -36.5 | 0 | 0 | 0 | 110.7 | L82 L105 | L82-P93 HydrophobicContact CB-CB 4.25Å; L82-P93 HydrophobicContact CB-CG 4.02Å; L82-P93 WeakPolarHBondContact O-CD 3.42Å; L82-P93 WeakPolarHBondContact O-CG 3.49Å; P93-L105 HydrophobicContact CB-CD1 4.35Å |
| 94 | K | 91.2 | Very high | 90.3 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -8.7 | 171.9 | -64.3 | -180 | 172.8 | -173 | 0 | 112.7 | E52 V54 V106 | E52-K94 IonicContact OE1-NZ 2.72Å; E52-K94 PolarHBondContact OE1-NZ 3.33Å; E52-K94 IonicContact OE2-NZ 2.86Å; E52-K94 PolarHBondContact OE2-NZ 2.92Å; V54-K94 HydrophobicContact CG1-CD 3.76Å; K94-V106 HydrophobicContact CB-CB 4.43Å; K94-V106 HydrophobicContact CB-CG1 4.09Å; K94-V106 PolarHBondContact N-O 3.44Å |
| 95 | G | 90.6 | Very high | 90.4 | Very high | 28 Ų | 28 | 38.6 Ų | 38.6 | 29% | 0.289 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.5 | 163.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V106 | G95-V106 PolarHBondContact N-O 3.41Å; G95-V106 WeakPolarHBondContact O-CB 3.19Å; G95-V106 PolarHBondContact O-N 3.21Å |
| 96 | C | 92.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.2 | 167.6 | -159 | 0 | 0 | 0 | 0 | 110.3 | Y18 F19 S20 I79 W104 | Y18-C96 WeakPolarHBondContact O-CB 3.37Å; F19-C96 CarbonylContact C-O 3.59Å; F19-C96 WeakPolarHBondContact CA-O 3.42Å; F19-C96 HydrophobicContact CD1-CB 3.95Å; F19-C96 HydrophobicContact CE1-CB 4.06Å; F19-C96 WeakPolarHBondContact CE1-SG 3.31Å; S20-C96 PolarHBondContact N-O 3.4Å; I79-C96 HydrophobicContact CG2-CB 4.42Å; C96-W104 WeakPolarHBondContact CA-O 3.37Å; C96-W104 PolarHBondContact SG-O 3.25Å |
| 97 | F | 91.9 | Very high | 90.6 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159 | -178.8 | -65.8 | -107.1 | 0 | 0 | 0 | 109.7 | E22 P24 V27 F28 W104 V106 | E22-F97 HydrophobicContact CB-CD1 4.32Å; E22-F97 HydrophobicContact CB-CE1 4.12Å; P24-F97 HydrophobicContact CB-CB 3.76Å; P24-F97 HydrophobicContact CB-CD1 4.14Å; P24-F97 HydrophobicContact CB-CG 4Å; P24-F97 HydrophobicContact CG-CB 3.76Å; V27-F97 HydrophobicContact CG2-CE1 4.09Å; F28-F97 HydrophobicContact CE2-CD2 4.25Å; F28-F97 HydrophobicContact CE2-CE1 4.32Å; F28-F97 AromaticContact CE2-CE2 3.83Å; F28-F97 HydrophobicContact CE2-CE2 3.83Å; F28-F97 AromaticContact CE2-CZ 3.87Å; F28-F97 HydrophobicContact CE2-CZ 3.87Å; F28-F97 HydrophobicContact CZ-CE2 4.1Å; F28-F97 HydrophobicContact CZ-CZ 4.16Å; F97-W104 HydrophobicContact CB-CB 4.35Å; F97-W104 PolarHBondContact N-O 3.4Å; F97-W104 PolarHBondContact O-N 3.27Å; F97-V106 HydrophobicContact CD2-CG2 3.59Å; F97-V106 HydrophobicContact CE2-CB 4.43Å; F97-V106 HydrophobicContact CE2-CG2 3.69Å |
| 98 | M | 86.8 | Confident | 90.4 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 85.5 | -171.4 | -176.2 | 58.4 | 73.1 | 0 | 0 | 113.3 | R6 V9 F10 F19 W72 P103 | R6-M98 HydrophobicContact CG-CG 3.92Å; R6-M98 PolarHBondContact NH2-O 2.92Å; V9-M98 HydrophobicContact CB-CE 4.5Å; V9-M98 HydrophobicContact CG1-CE 4.19Å; V9-M98 HydrophobicContact CG2-CE 4.25Å; F10-M98 HydrophobicContact CE2-CB 3.94Å; F10-M98 HydrophobicContact CE2-CG 4.08Å; F10-M98 HydrophobicContact CZ-CB 3.94Å; F19-M98 HydrophobicContact CD1-CE 4.06Å; F19-M98 HydrophobicContact CE1-CE 3.69Å; F19-M98 HydrophobicContact CZ-CE 4.28Å; W72-M98 HydrophobicContact CH2-CE 4.17Å; M98-P103 HydrophobicContact CE-CG 4.06Å |
| 99 | K | 84.8 | Confident | 90.3 | Very high | 50 Ų | 50 | 29.9 Ų | 29.9 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.6 | 177 | -170.2 | -167.7 | 171.6 | -167.2 | 0 | 110.7 | P24 T25 Q101 T102 W104 | P24-K99 HydrophobicContact CG-CB 3.91Å; T25-K99 HydrophobicContact CG2-CD 3.96Å; K99-Q101 VanDerWaalsContact C-N 3.27Å; K99-Q101 PolarHBondContact O-N 2.95Å; K99-Q101 VanDerWaalsContact O-N 3.11Å; K99-T102 PolarHBondContact N-O 3.47Å; K99-T102 VanDerWaalsContact N-O 3.17Å; K99-T102 WeakPolarHBondContact O-CA 3.33Å; K99-T102 WeakPolarHBondContact O-CB 3.42Å; K99-T102 PolarHBondContact O-N 2.94Å; K99-W104 HydrophobicContact CB-CD2 4.33Å; K99-W104 HydrophobicContact CB-CG 4.46Å; K99-W104 HydrophobicContact CD-CD2 4.48Å; K99-W104 HydrophobicContact CD-CH2 3.85Å; K99-W104 HydrophobicContact CD-CZ2 3.39Å |
| 100 | E | 79.7 | Confident | 90.2 | Very high | 140 Ų | 140 | 30.5 Ų | 30.5 | 65% | 0.654 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 36.1 | 167.8 | -66 | 164.7 | -130.6 | 0 | 0 | 115.4 | T102 | E100-T102 VanDerWaalsContact C-N 3.31Š|
| 101 | Q | 75.7 | Confident | 89.9 | Confident | 73 Ų | 73 | 30.8 Ų | 30.8 | 34% | 0.341 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 2.2 | -172.9 | -40 | -68.8 | -18.6 | 0 | 0 | 115.8 | M1 K99 | M1-Q101 HydrophobicContact CE-CB 4.48Å; M1-Q101 HydrophobicContact SD-CB 3.8Å; M1-Q101 HydrophobicContact SD-CG 4.45Å; K99-Q101 VanDerWaalsContact C-N 3.27Å; K99-Q101 PolarHBondContact O-N 2.95Å; K99-Q101 VanDerWaalsContact O-N 3.11Å |
| 102 | T | 85 | Confident | 89.8 | Confident | 35 Ų | 35 | 31 Ų | 31 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.8 | 178 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | E58 L59 K60 K99 E100 W104 | E58-T102 HydrophobicContact CG-CG2 3.51Å; L59-T102 WeakPolarHBondContact O-CG2 3.27Å; K60-T102 HydrophobicContact CG-CG2 4.25Å; K99-T102 PolarHBondContact N-O 3.47Å; K99-T102 VanDerWaalsContact N-O 3.17Å; K99-T102 WeakPolarHBondContact O-CA 3.33Å; K99-T102 WeakPolarHBondContact O-CB 3.42Å; K99-T102 PolarHBondContact O-N 2.94Å; E100-T102 VanDerWaalsContact C-N 3.31Å; T102-W104 PolarHBondContact O-N 3.07Å |
| 103 | P | 88.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 132.1 | 169.9 | -24.1 | 34.5 | 0 | 0 | 0 | 112 | F19 L59 W72 I75 I79 M98 | F19-P103 HydrophobicContact CE1-CB 4.07Å; F19-P103 HydrophobicContact CE1-CG 4.36Å; L59-P103 HydrophobicContact CB-CB 4.2Å; L59-P103 HydrophobicContact CD1-CB 4.31Å; L59-P103 PolarHBondContact N-O 3.05Å; W72-P103 HydrophobicContact CH2-CG 4.07Å; W72-P103 HydrophobicContact CZ3-CG 3.57Å; I75-P103 HydrophobicContact CG2-CB 4.49Å; I75-P103 HydrophobicContact CG2-CG 4.18Å; I79-P103 HydrophobicContact CD1-CB 4.43Å; M98-P103 HydrophobicContact CE-CG 4.06Å |
| 104 | W | 92.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 26.9 Ų | 26.9 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 98.7 | 174.1 | -81.8 | 28.2 | 0 | 0 | 0 | 107.6 | P24 T25 F31 I56 E58 C96 F97 K99 T102 | P24-W104 HydrophobicContact CB-CD2 4.35Å; P24-W104 HydrophobicContact CB-CE3 3.51Å; P24-W104 HydrophobicContact CB-CZ3 4.01Å; P24-W104 HydrophobicContact CG-CB 4.36Å; P24-W104 HydrophobicContact CG-CD2 3.87Å; P24-W104 HydrophobicContact CG-CE3 3.46Å; P24-W104 VanDerWaalsContact CG-CE3 3.46Å; P24-W104 HydrophobicContact CG-CG 4.27Å; P24-W104 HydrophobicContact CG-CZ3 4.04Å; T25-W104 HydrophobicContact CG2-CH2 4.24Å; T25-W104 HydrophobicContact CG2-CZ3 4.46Å; F31-W104 HydrophobicContact CD1-CZ3 4.32Å; F31-W104 HydrophobicContact CE1-CH2 4.12Å; F31-W104 AromaticContact CE1-CZ3 3.59Å; F31-W104 HydrophobicContact CE1-CZ3 3.59Å; F31-W104 HydrophobicContact CZ-CH2 4.43Å; F31-W104 AromaticContact CZ-CZ3 3.99Å; F31-W104 HydrophobicContact CZ-CZ3 3.99Å; I56-W104 HydrophobicContact CG2-CB 3.98Å; I56-W104 HydrophobicContact CG2-CD2 4.14Å; I56-W104 HydrophobicContact CG2-CE3 3.9Å; I56-W104 HydrophobicContact CG2-CG 4.22Å; E58-W104 PolarHBondContact OE1-NE1 2.88Å; C96-W104 WeakPolarHBondContact CA-O 3.37Å; C96-W104 PolarHBondContact SG-O 3.25Å; F97-W104 HydrophobicContact CB-CB 4.35Å; F97-W104 PolarHBondContact N-O 3.4Å; F97-W104 PolarHBondContact O-N 3.27Å; K99-W104 HydrophobicContact CB-CD2 4.33Å; K99-W104 HydrophobicContact CB-CG 4.46Å; K99-W104 HydrophobicContact CD-CD2 4.48Å; K99-W104 HydrophobicContact CD-CH2 3.85Å; K99-W104 HydrophobicContact CD-CZ2 3.39Å; T102-W104 PolarHBondContact O-N 3.07Å |
| 105 | L | 92 | Very high | 90.3 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 111.9 | 179.8 | 169.3 | 61.8 | 0 | 0 | 0 | 109.3 | I56 K57 L59 L82 P93 M107 | I56-L105 CarbonylContact C-O 3.59Å; I56-L105 WeakPolarHBondContact CA-O 3.38Å; K57-L105 HydrophobicContact CB-CB 4.35Å; K57-L105 HydrophobicContact CD-CD2 4.39Å; K57-L105 PolarHBondContact N-O 2.92Å; K57-L105 PolarHBondContact O-N 3.28Å; L59-L105 HydrophobicContact CD1-CB 4.01Å; L59-L105 HydrophobicContact CD1-CD2 4.31Å; L82-L105 HydrophobicContact CD1-CD1 4.31Å; L82-L105 HydrophobicContact CD1-CD2 3.55Å; L82-L105 HydrophobicContact CD1-CG 4.43Å; P93-L105 HydrophobicContact CB-CD1 4.35Å; L105-M107 HydrophobicContact CD2-SD 4.32Å; L105-M107 HydrophobicContact CG-CG 4.18Å; L105-M107 HydrophobicContact CG-SD 4.34Å |
| 106 | V | 94.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 134.1 | 179.7 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | F28 V54 A55 I56 K94 G95 F97 | F28-V106 HydrophobicContact CE1-CG1 4.1Å; F28-V106 HydrophobicContact CE2-CG2 3.81Å; F28-V106 HydrophobicContact CZ-CB 4.42Å; F28-V106 HydrophobicContact CZ-CG1 3.83Å; F28-V106 HydrophobicContact CZ-CG2 3.86Å; V54-V106 HydrophobicContact CB-CG1 3.73Å; V54-V106 HydrophobicContact CG1-CG1 3.92Å; V54-V106 HydrophobicContact CG2-CG1 3.92Å; A55-V106 CarbonylContact O-C 3.5Å; A55-V106 WeakPolarHBondContact O-CA 3.19Å; I56-V106 HydrophobicContact CD1-CG2 4.31Å; I56-V106 HydrophobicContact CG1-CG1 4.3Å; I56-V106 HydrophobicContact CG1-CG2 4.14Å; I56-V106 HydrophobicContact CG2-CG2 4.44Å; K94-V106 HydrophobicContact CB-CB 4.43Å; K94-V106 HydrophobicContact CB-CG1 4.09Å; K94-V106 PolarHBondContact N-O 3.44Å; G95-V106 PolarHBondContact N-O 3.41Å; G95-V106 WeakPolarHBondContact O-CB 3.19Å; G95-V106 PolarHBondContact O-N 3.21Å; F97-V106 HydrophobicContact CD2-CG2 3.59Å; F97-V106 HydrophobicContact CE2-CB 4.43Å; F97-V106 HydrophobicContact CE2-CG2 3.69Å |
| 107 | M | 93.8 | Very high | 90.5 | Very high | 21 Ų | 21 | 23.9 Ų | 23.9 | 10% | 0.103 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 167.6 | -176.9 | -61.3 | 173.7 | -65.2 | 0 | 0 | 109.6 | V54 A55 K57 L82 V91 L92 L105 | V54-M107 WeakPolarHBondContact CA-O 3.42Å; V54-M107 WeakPolarHBondContact CB-O 3.48Å; A55-M107 HydrophobicContact CB-CE 4.43Å; A55-M107 PolarHBondContact N-O 3.07Å; A55-M107 PolarHBondContact O-N 3.34Å; K57-M107 HydrophobicContact CB-CE 3.79Å; L82-M107 HydrophobicContact CD1-SD 4.48Å; V91-M107 HydrophobicContact CG1-CB 3.88Å; V91-M107 HydrophobicContact CG1-CG 4.21Å; V91-M107 HydrophobicContact CG1-SD 3.92Å; L92-M107 WeakPolarHBondContact O-CA 3.32Å; L105-M107 HydrophobicContact CD2-SD 4.32Å; L105-M107 HydrophobicContact CG-CG 4.18Å; L105-M107 HydrophobicContact CG-SD 4.34Å |
| 108 | E | 92.7 | Very high | 90.7 | Very high | 37 Ų | 37 | 23.6 Ų | 23.6 | 17% | 0.173 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 152.4 | 162.6 | 67.4 | -171.2 | 140.3 | 0 | 0 | 112.1 | V91 L92 K168 | V91-E108 WeakPolarHBondContact CA-OE1 3.38Å; V91-E108 HydrophobicContact CG1-CG 4.23Å; L92-E108 PolarHBondContact N-OE1 3.01Å; L92-E108 PolarHBondContact O-N 2.91Å; L92-E108 VanDerWaalsContact O-N 3.14Å; E108-K168 HydrophobicContact CG-CD 4.47Å; E108-K168 WeakPolarHBondContact OE1-CE 3.39Å; E108-K168 IonicContact OE1-NZ 3.69Å; E108-K168 PolarHBondContact OE1-NZ 2.87Å; E108-K168 WeakPolarHBondContact OE2-CE 3.42Å; E108-K168 IonicContact OE2-NZ 2.88Å; E108-K168 PolarHBondContact OE2-NZ 2.93Å |
| 109 | Y | 93.4 | Very high | 90.8 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | trans | -89.4 | 150.6 | 179.4 | 178.6 | -108.7 | 0 | 0 | 0 | 111.4 | I34 Y44 V53 A55 I111 K318 E322 | I34-Y109 HydrophobicContact CD1-CD2 4.1Å; I34-Y109 HydrophobicContact CD1-CE2 3.71Å; Y44-Y109 HydrophobicContact CD2-CD1 4.44Å; Y44-Y109 HydrophobicContact CD2-CD2 4.05Å; Y44-Y109 HydrophobicContact CD2-CE1 4.09Å; Y44-Y109 AromaticContact CD2-CE2 3.7Å; Y44-Y109 HydrophobicContact CD2-CE2 3.7Å; Y44-Y109 HydrophobicContact CD2-CG 4.42Å; Y44-Y109 AromaticContact CD2-CZ 3.72Å; Y44-Y109 HydrophobicContact CE2-CE1 4.23Å; V53-Y109 HydrophobicContact CG1-CD1 3.63Å; V53-Y109 HydrophobicContact CG1-CD2 4.33Å; V53-Y109 HydrophobicContact CG1-CE1 4.38Å; V53-Y109 HydrophobicContact CG1-CG 3.6Å; A55-Y109 HydrophobicContact CB-CD2 4.41Å; Y109-I111 HydrophobicContact CE1-CG2 4.08Å; Y109-K318 PolarHBondContact OH-O 3.1Å; Y109-E322 HydrophobicContact CD1-CG 4.2Å; Y109-E322 WeakPolarHBondContact CD1-OE1 3.42Å; Y109-E322 HydrophobicContact CE1-CG 3.96Å | ||
| 110 | C | 93.2 | Very high | 91.1 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 10% | 0.095 | 13% | 0.128 | C | C | . | . | trans | -140.7 | 140.3 | 174.5 | -72.3 | 0 | 0 | 0 | 0 | 107.7 | G112 L160 L161 | C110-G112 VanDerWaalsContact C-N 3.27Å; C110-G112 PolarHBondContact O-N 3.11Å; C110-L160 HydrophobicContact CB-CB 3.75Å; C110-L160 HydrophobicContact CB-CD1 4.01Å; C110-L160 HydrophobicContact CB-CG 4.49Å; C110-L161 CarbonylContact C-O 3.26Å; C110-L161 WeakPolarHBondContact CA-O 3.46Å; C110-L161 VanDerWaalsContact CB-O 3.28Å; C110-L161 WeakPolarHBondContact CB-O 3.44Å | ||
| 111 | I | 91.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 4% | 0.036 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -68.2 | -27 | -172.1 | 51.9 | 163.1 | 0 | 0 | 0 | 113.4 | Y109 L161 D163 I298 I319 | Y109-I111 HydrophobicContact CE1-CG2 4.08Å; I111-L161 HydrophobicContact CG1-CB 4.47Å; I111-L161 VanDerWaalsContact CG1-O 3.29Å; I111-L161 WeakPolarHBondContact CG1-O 3.19Å; I111-L161 PolarHBondContact N-O 2.97Å; I111-D163 HydrophobicContact CG2-CB 4.05Å; I111-D163 WeakPolarHBondContact CG2-OD1 3.41Å; I111-I298 HydrophobicContact CD1-CB 4.33Å; I111-I298 HydrophobicContact CD1-CD1 4.29Å; I111-I298 HydrophobicContact CD1-CG1 4.01Å; I111-I298 HydrophobicContact CD1-CG2 3.51Å; I111-I319 VanDerWaalsContact O-CG1 3.3Å; I111-I319 WeakPolarHBondContact O-CG1 3.41Å |
| 112 | G | 91.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 23 Ų | 23 | 8% | 0.082 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 177.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C110 D116 L160 L161 | C110-G112 VanDerWaalsContact C-N 3.27Å; C110-G112 PolarHBondContact O-N 3.11Å; G112-D116 WeakPolarHBondContact CA-OD2 3.46Å; G112-L160 WeakPolarHBondContact O-CA 3.27Å; G112-L161 PolarHBondContact O-N 2.83Å |
| 113 | S | 94.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 164.1 | 168.7 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | A115 D116 V117 A157 I159 | S113-A115 PolarHBondContact O-N 3.28Å; S113-A115 PolarHBondContact OG-N 3.37Å; S113-D116 PolarHBondContact N-OD2 3.28Å; S113-D116 VanDerWaalsContact O-CB 3.32Å; S113-D116 WeakPolarHBondContact O-CB 3.23Å; S113-D116 PolarHBondContact O-N 2.96Å; S113-D116 PolarHBondContact OG-N 3.47Å; S113-D116 PolarHBondContact OG-OD1 3.47Å; S113-D116 PolarHBondContact OG-OD2 3.03Å; S113-V117 PolarHBondContact O-N 2.88Å; S113-A157 WeakPolarHBondContact CB-O 3.29Å; S113-I159 CarbonylContact C-O 3.58Å; S113-I159 WeakPolarHBondContact CA-O 3.36Å |
| 114 | V | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -33 | 172 | 178.2 | 0 | 0 | 0 | 0 | 111 | D116 V117 L118 L125 I133 A156 I159 L161 M220 | V114-D116 VanDerWaalsContact C-N 3.33Å; V114-D116 PolarHBondContact O-N 3.49Å; V114-V117 WeakPolarHBondContact O-CB 3.42Å; V114-V117 PolarHBondContact O-N 3.09Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 3.34Å; V114-L125 HydrophobicContact CG1-CD1 3.93Å; V114-I133 HydrophobicContact CG1-CD1 4.2Å; V114-I133 HydrophobicContact CG2-CD1 4.01Å; V114-I133 HydrophobicContact CG2-CG2 4.31Å; V114-A156 HydrophobicContact CB-CB 4Å; V114-A156 HydrophobicContact CG1-CB 4.03Å; V114-A156 PolarHBondContact N-O 3Å; V114-A156 VanDerWaalsContact N-O 3.12Å; V114-I159 HydrophobicContact CG2-CB 3.97Å; V114-I159 HydrophobicContact CG2-CG2 3.66Å; V114-I159 PolarHBondContact N-O 3.39Å; V114-L161 HydrophobicContact CG2-CD2 4.27Å; V114-L161 HydrophobicContact CG2-CG 4.34Å; V114-M220 HydrophobicContact CG1-CG 3.84Å; V114-M220 HydrophobicContact CG1-SD 3.79Å |
| 115 | A | 95 | Very high | 93.1 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 21% | 0.207 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -36 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S113 V117 L118 E119 A156 A157 | S113-A115 PolarHBondContact O-N 3.28Å; S113-A115 PolarHBondContact OG-N 3.37Å; A115-V117 VanDerWaalsContact C-N 3.31Å; A115-V117 PolarHBondContact O-N 2.9Å; A115-L118 PolarHBondContact O-N 3.41Å; A115-E119 WeakPolarHBondContact O-CB 3.29Å; A115-E119 PolarHBondContact O-N 3.39Å; A115-A156 HydrophobicContact CB-CB 4.16Å; A115-A156 PolarHBondContact N-O 2.86Å; A115-A157 HydrophobicContact CB-CB 3.91Å |
| 116 | D | 93 | Very high | 93.2 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 173 | -58.1 | -34.5 | 0 | 0 | 0 | 110.6 | G112 S113 V114 E119 V120 W316 K318 | G112-D116 WeakPolarHBondContact CA-OD2 3.46Å; S113-D116 PolarHBondContact N-OD2 3.28Å; S113-D116 VanDerWaalsContact O-CB 3.32Å; S113-D116 WeakPolarHBondContact O-CB 3.23Å; S113-D116 PolarHBondContact O-N 2.96Å; S113-D116 PolarHBondContact OG-N 3.47Å; S113-D116 PolarHBondContact OG-OD1 3.47Å; S113-D116 PolarHBondContact OG-OD2 3.03Å; V114-D116 VanDerWaalsContact C-N 3.33Å; V114-D116 PolarHBondContact O-N 3.49Å; D116-E119 PolarHBondContact O-N 3.43Å; D116-V120 VanDerWaalsContact O-CG2 3.3Å; D116-V120 WeakPolarHBondContact O-CG2 3.39Å; D116-V120 PolarHBondContact O-N 3.03Å; D116-W316 HydrophobicContact CB-CE3 4.11Å; D116-W316 HydrophobicContact CB-CH2 3.95Å; D116-W316 HydrophobicContact CB-CZ3 3.48Å; D116-W316 VanDerWaalsContact CB-CZ3 3.48Å; D116-W316 VanDerWaalsContact CG-CZ3 3.46Å; D116-W316 WeakPolarHBondContact OD1-CZ3 3.31Å; D116-K318 IonicContact OD1-NZ 2.73Å; D116-K318 PolarHBondContact OD1-NZ 2.87Å; D116-K318 VanDerWaalsContact OD2-CE 3.29Å; D116-K318 WeakPolarHBondContact OD2-CE 3.5Å; D116-K318 IonicContact OD2-NZ 2.7Å; D116-K318 PolarHBondContact OD2-NZ 3.43Å |
| 117 | V | 94.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 178.1 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | S113 V114 A115 E119 V120 H121 L125 L161 L297 T301 | S113-V117 PolarHBondContact O-N 2.88Å; V114-V117 WeakPolarHBondContact O-CB 3.42Å; V114-V117 PolarHBondContact O-N 3.09Å; A115-V117 VanDerWaalsContact C-N 3.31Å; A115-V117 PolarHBondContact O-N 2.9Å; V117-E119 VanDerWaalsContact C-N 3.28Å; V117-E119 PolarHBondContact O-N 3.28Å; V117-V120 PolarHBondContact O-N 3.5Å; V117-H121 PolarHBondContact O-CD2 3.28Å; V117-H121 VanDerWaalsContact O-CD2 3.28Å; V117-H121 PolarHBondContact O-N 2.93Å; V117-L125 HydrophobicContact CG1-CD2 3.91Å; V117-L161 HydrophobicContact CG2-CD1 3.82Å; V117-L297 HydrophobicContact CG1-CD1 3.78Å; V117-L297 HydrophobicContact CG1-CD2 4.44Å; V117-L297 HydrophobicContact CG1-CG 4.27Å; V117-T301 HydrophobicContact CG2-CG2 4.28Å |
| 118 | L | 94.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 174 | -66.4 | 169.1 | 0 | 0 | 0 | 111 | V114 A115 K122 L125 A156 E219 M220 L223 | V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 3.34Å; A115-L118 PolarHBondContact O-N 3.41Å; L118-K122 WeakPolarHBondContact O-CA 3.34Å; L118-K122 PolarHBondContact O-N 2.85Å; L118-L125 HydrophobicContact CD2-CD2 4.42Å; L118-L125 HydrophobicContact CD2-CG 3.9Å; L118-A156 HydrophobicContact CD1-CB 4.24Å; L118-E219 HydrophobicContact CD1-CG 4.49Å; L118-M220 HydrophobicContact CD1-CG 4.44Å; L118-L223 HydrophobicContact CB-CD2 4.14Å; L118-L223 HydrophobicContact CD2-CD2 4.09Å |
| 119 | E | 90.7 | Very high | 93.3 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 36% | 0.355 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -73.3 | -26.5 | -179.3 | -159.4 | -170.7 | 147.6 | 0 | 0 | 113.1 | A115 D116 V117 K122 K315 W316 | A115-E119 WeakPolarHBondContact O-CB 3.29Å; A115-E119 PolarHBondContact O-N 3.39Å; D116-E119 PolarHBondContact O-N 3.43Å; V117-E119 VanDerWaalsContact C-N 3.28Å; V117-E119 PolarHBondContact O-N 3.28Å; E119-K122 VanDerWaalsContact O-CD 3.26Å; E119-K122 WeakPolarHBondContact O-CD 3.41Å; E119-K122 WeakPolarHBondContact O-CE 3.41Å; E119-K122 PolarHBondContact O-NZ 3.09Å; E119-K122 IonicContact OE1-NZ 3.53Å; E119-K315 IonicContact OE1-NZ 2.67Å; E119-K315 PolarHBondContact OE1-NZ 3.43Å; E119-K315 IonicContact OE2-NZ 3.93Å; E119-K315 PolarHBondContact OE2-NZ 3.42Å; E119-W316 HydrophobicContact CB-CH2 4.16Å; E119-W316 HydrophobicContact CB-CZ2 3.67Å; E119-W316 VanDerWaalsContact CD-CZ2 3.47Å; E119-W316 HydrophobicContact CG-CZ2 3.79Å |
| 120 | V | 90.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.7 | -51 | 171 | 165.2 | 0 | 0 | 0 | 0 | 111.8 | D116 V117 T301 A304 V305 W316 I319 | D116-V120 VanDerWaalsContact O-CG2 3.3Å; D116-V120 WeakPolarHBondContact O-CG2 3.39Å; D116-V120 PolarHBondContact O-N 3.03Å; V117-V120 PolarHBondContact O-N 3.5Å; V120-T301 HydrophobicContact CB-CG2 4.24Å; V120-T301 HydrophobicContact CG1-CG2 3.95Å; V120-T301 HydrophobicContact CG2-CG2 4.43Å; V120-A304 HydrophobicContact CG1-CB 3.86Å; V120-V305 HydrophobicContact CG1-CG2 3.91Å; V120-V305 HydrophobicContact CG2-CG2 3.79Å; V120-W316 HydrophobicContact CG2-CB 4.19Å; V120-W316 HydrophobicContact CG2-CD2 3.73Å; V120-W316 HydrophobicContact CG2-CE3 4.42Å; V120-W316 HydrophobicContact CG2-CG 3.6Å; V120-I319 HydrophobicContact CG2-CD1 4.08Å |
| 121 | H | 90.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 35.4 Ų | 35.4 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -79.9 | -21 | -174.8 | -69.6 | -68.1 | 0 | 0 | 0 | 114 | V117 K123 T301 | V117-H121 PolarHBondContact O-CD2 3.28Å; V117-H121 VanDerWaalsContact O-CD2 3.28Å; V117-H121 PolarHBondContact O-N 2.93Å; H121-K123 PolarHBondContact O-N 3.11Å; H121-T301 PolarHBondContact NE2-OG1 2.82Å |
| 122 | K | 90.8 | Very high | 93.7 | Very high | 133 Ų | 133 | 35.4 Ų | 35.4 | 58% | 0.578 | 17% | 0.174 | S | C | * | . | trans | 53.6 | 29.8 | -174 | -56.6 | -58.9 | -171 | -162.4 | 0 | 113.5 | L118 E119 | L118-K122 WeakPolarHBondContact O-CA 3.34Å; L118-K122 PolarHBondContact O-N 2.85Å; E119-K122 VanDerWaalsContact O-CD 3.26Å; E119-K122 WeakPolarHBondContact O-CD 3.41Å; E119-K122 WeakPolarHBondContact O-CE 3.41Å; E119-K122 PolarHBondContact O-NZ 3.09Å; E119-K122 IonicContact OE1-NZ 3.53Å | ||
| 123 | K | 92.5 | Very high | 93.9 | Very high | 145 Ų | 145 | 35.1 Ų | 35.1 | 63% | 0.63 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -142.9 | 148.8 | -178 | -68.5 | 175.1 | -175.7 | 176.8 | 0 | 109 | H121 | H121-K123 PolarHBondContact O-N 3.11Š|
| 124 | P | 94.2 | Very high | 94 | Very high | 59 Ų | 59 | 34.8 Ų | 34.8 | 38% | 0.383 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -50.6 | 151.2 | 166.1 | -27.8 | 36.9 | 0 | 0 | 0 | 111.9 | M220 A221 L223 W253 | P124-M220 WeakPolarHBondContact CA-O 3.39Å; P124-A221 VanDerWaalsContact CB-O 3.31Å; P124-A221 WeakPolarHBondContact CB-O 3.42Å; P124-A221 WeakPolarHBondContact CG-O 3.3Å; P124-L223 HydrophobicContact CG-CG 4.48Å; P124-W253 HydrophobicContact CB-CH2 4.15Å; P124-W253 HydrophobicContact CB-CZ2 4.24Å |
| 125 | L | 95.3 | Very high | 94 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 157.4 | 165.9 | -67.8 | -173.7 | 0 | 0 | 0 | 110.3 | V114 V117 L118 E129 I130 I133 M220 W253 L297 | V114-L125 HydrophobicContact CG1-CD1 3.93Å; V117-L125 HydrophobicContact CG1-CD2 3.91Å; L118-L125 HydrophobicContact CD2-CD2 4.42Å; L118-L125 HydrophobicContact CD2-CG 3.9Å; L125-E129 WeakPolarHBondContact CA-OE2 3.36Å; L125-E129 HydrophobicContact CB-CB 4.17Å; L125-E129 HydrophobicContact CD1-CB 4.48Å; L125-E129 WeakPolarHBondContact CD2-OE2 3.46Å; L125-I130 HydrophobicContact CB-CD1 4.27Å; L125-I130 HydrophobicContact CB-CG1 3.8Å; L125-I133 HydrophobicContact CD1-CD1 3.47Å; L125-I133 VanDerWaalsContact CD1-CD1 3.47Å; L125-M220 HydrophobicContact CD1-CB 4.49Å; L125-M220 HydrophobicContact CD1-CG 4.33Å; L125-M220 HydrophobicContact CD1-SD 4.11Å; L125-M220 PolarHBondContact N-O 3.15Å; L125-W253 WeakPolarHBondContact O-CH2 3.34Å; L125-L297 HydrophobicContact CD1-CD2 4.41Å; L125-L297 HydrophobicContact CD2-CD1 3.87Å; L125-L297 HydrophobicContact CD2-CD2 4.05Å |
| 126 | R | 93.8 | Very high | 94 | Very high | 86 Ų | 86 | 36.8 Ų | 36.8 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -67.7 | 155.5 | 170.1 | -51.7 | -168.7 | -52.5 | -126.6 | 7.4 | 110.2 | D128 E129 I130 E296 | R126-D128 VanDerWaalsContact C-N 3.27Å; R126-D128 WeakPolarHBondContact CB-OD1 3.28Å; R126-D128 IonicContact CZ-OD1 2.72Å; R126-D128 IonicContact CZ-OD2 2.8Å; R126-D128 IonicContact NE-OD1 3.67Å; R126-D128 PolarHBondContact NE-OD1 3.09Å; R126-D128 IonicContact NE-OD2 3.89Å; R126-D128 PolarHBondContact NE-OD2 3.14Å; R126-D128 IonicContact NH2-OD1 3.97Å; R126-D128 IonicContact NH2-OD2 3.32Å; R126-D128 PolarHBondContact NH2-OD2 2.96Å; R126-D128 PolarHBondContact O-N 3.38Å; R126-E129 HydrophobicContact CB-CB 4.36Å; R126-E129 HydrophobicContact CB-CG 3.99Å; R126-E129 HydrophobicContact CG-CG 4.35Å; R126-E129 IonicContact CZ-OE1 3.06Å; R126-E129 PolarHBondContact N-OE2 3.44Å; R126-E129 IonicContact NE-OE1 3.76Å; R126-E129 IonicContact NH1-OE1 3.41Å; R126-E129 WeakPolarHBondContact O-CB 3.19Å; R126-E129 PolarHBondContact O-N 3.05Å; R126-E129 VanDerWaalsContact O-N 3.16Å; R126-I130 WeakPolarHBondContact O-CG1 3.23Å; R126-I130 PolarHBondContact O-N 3.04Å; R126-E296 IonicContact CZ-OE2 2.66Å; R126-E296 VanDerWaalsContact NH1-CD 3.32Å; R126-E296 IonicContact NH1-OE1 2.88Å; R126-E296 PolarHBondContact NH1-OE1 3.09Å; R126-E296 IonicContact NH1-OE2 3.81Å; R126-E296 PolarHBondContact NH1-OE2 2.93Å; R126-E296 IonicContact NH2-OE2 3.36Å; R126-E296 PolarHBondContact NH2-OE2 3.41Å |
| 127 | E | 94.1 | Very high | 94.2 | Very high | 52 Ų | 52 | 35.8 Ų | 35.8 | 24% | 0.243 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -33.7 | -178.7 | -166.7 | 175.2 | 115.4 | 0 | 0 | 112.8 | I130 A131 W253 S254 F257 F283 | E127-I130 PolarHBondContact O-N 3.39Å; E127-A131 WeakPolarHBondContact O-CB 3.46Å; E127-A131 PolarHBondContact O-N 2.92Å; E127-W253 HydrophobicContact CB-CE3 4.06Å; E127-W253 HydrophobicContact CB-CZ3 4Å; E127-W253 HydrophobicContact CG-CE3 4.27Å; E127-W253 WeakPolarHBondContact OE2-CA 3.44Å; E127-S254 VanDerWaalsContact CD-OG 3.27Å; E127-S254 WeakPolarHBondContact OE1-CB 3.45Å; E127-S254 PolarHBondContact OE1-OG 3.31Å; E127-S254 PolarHBondContact OE2-N 3.45Å; E127-S254 PolarHBondContact OE2-OG 3.04Å; E127-F257 HydrophobicContact CG-CB 4.14Å; E127-F257 HydrophobicContact CG-CD1 3.88Å; E127-F257 HydrophobicContact CG-CG 4.15Å; E127-F283 HydrophobicContact CG-CE2 3.79Å |
| 128 | D | 93.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 27% | 0.267 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.4 | -35.8 | 175.5 | 66.4 | -55 | 0 | 0 | 0 | 112.6 | R126 C132 I293 | R126-D128 VanDerWaalsContact C-N 3.27Å; R126-D128 WeakPolarHBondContact CB-OD1 3.28Å; R126-D128 IonicContact CZ-OD1 2.72Å; R126-D128 IonicContact CZ-OD2 2.8Å; R126-D128 IonicContact NE-OD1 3.67Å; R126-D128 PolarHBondContact NE-OD1 3.09Å; R126-D128 IonicContact NE-OD2 3.89Å; R126-D128 PolarHBondContact NE-OD2 3.14Å; R126-D128 IonicContact NH2-OD1 3.97Å; R126-D128 IonicContact NH2-OD2 3.32Å; R126-D128 PolarHBondContact NH2-OD2 2.96Å; R126-D128 PolarHBondContact O-N 3.38Å; D128-C132 PolarHBondContact O-N 2.93Å; D128-C132 VanDerWaalsContact O-N 3.13Å; D128-C132 PolarHBondContact O-SG 3.06Å; D128-I293 HydrophobicContact CB-CD1 3.69Å; D128-I293 WeakPolarHBondContact OD2-CD1 3.4Å; D128-I293 WeakPolarHBondContact OD2-CG1 3.29Å |
| 129 | E | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 171.5 | -65.9 | 169.3 | 163.4 | 0 | 0 | 111.3 | L125 R126 C132 I133 I293 L297 R300 | L125-E129 WeakPolarHBondContact CA-OE2 3.36Å; L125-E129 HydrophobicContact CB-CB 4.17Å; L125-E129 HydrophobicContact CD1-CB 4.48Å; L125-E129 WeakPolarHBondContact CD2-OE2 3.46Å; R126-E129 HydrophobicContact CB-CB 4.36Å; R126-E129 HydrophobicContact CB-CG 3.99Å; R126-E129 HydrophobicContact CG-CG 4.35Å; R126-E129 IonicContact CZ-OE1 3.06Å; R126-E129 PolarHBondContact N-OE2 3.44Å; R126-E129 IonicContact NE-OE1 3.76Å; R126-E129 IonicContact NH1-OE1 3.41Å; R126-E129 WeakPolarHBondContact O-CB 3.19Å; R126-E129 PolarHBondContact O-N 3.05Å; R126-E129 VanDerWaalsContact O-N 3.16Å; E129-C132 PolarHBondContact O-N 2.88Å; E129-I133 WeakPolarHBondContact O-CG1 3.22Å; E129-I133 PolarHBondContact O-N 3.14Å; E129-I293 HydrophobicContact CB-CG2 4.16Å; E129-I293 HydrophobicContact CG-CG2 3.49Å; E129-I293 VanDerWaalsContact CG-CG2 3.49Å; E129-L297 HydrophobicContact CB-CD2 4.29Å; E129-L297 HydrophobicContact CG-CD2 4.22Å; E129-R300 IonicContact OE1-CZ 3.9Å; E129-R300 IonicContact OE1-NH1 3.66Å; E129-R300 PolarHBondContact OE1-NH1 3.38Å; E129-R300 IonicContact OE1-NH2 2.79Å; E129-R300 PolarHBondContact OE1-NH2 3.33Å; E129-R300 IonicContact OE2-NH1 3.35Å |
| 130 | I | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 176.3 | -67.2 | 172.1 | 0 | 0 | 0 | 110.2 | L125 R126 E127 C132 I133 V134 M220 A221 W253 F257 F283 | L125-I130 HydrophobicContact CB-CD1 4.27Å; L125-I130 HydrophobicContact CB-CG1 3.8Å; R126-I130 WeakPolarHBondContact O-CG1 3.23Å; R126-I130 PolarHBondContact O-N 3.04Å; E127-I130 PolarHBondContact O-N 3.39Å; I130-C132 VanDerWaalsContact C-N 3.33Å; I130-C132 PolarHBondContact O-N 2.79Å; I130-I133 PolarHBondContact O-N 3.49Å; I130-V134 HydrophobicContact CG2-CG2 4.03Å; I130-V134 WeakPolarHBondContact O-CB 3.44Å; I130-V134 VanDerWaalsContact O-CG2 3.23Å; I130-V134 WeakPolarHBondContact O-CG2 3.42Å; I130-V134 PolarHBondContact O-N 2.98Å; I130-M220 HydrophobicContact CD1-CB 3.95Å; I130-M220 HydrophobicContact CG1-CB 3.87Å; I130-M220 HydrophobicContact CG1-SD 4.41Å; I130-M220 HydrophobicContact CG2-CE 3.94Å; I130-A221 HydrophobicContact CD1-CB 4.24Å; I130-W253 HydrophobicContact CD1-CH2 4.36Å; I130-W253 HydrophobicContact CD1-CZ3 4.37Å; I130-F257 HydrophobicContact CD1-CE1 4.09Å; I130-F257 HydrophobicContact CD1-CZ 4.03Å; I130-F257 HydrophobicContact CG2-CE2 3.9Å; I130-F257 HydrophobicContact CG2-CZ 3.81Å; I130-F283 HydrophobicContact CG2-CZ 4.09Å |
| 131 | A | 95.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E127 V134 Q135 F283 L284 V287 | E127-A131 WeakPolarHBondContact O-CB 3.46Å; E127-A131 PolarHBondContact O-N 2.92Å; A131-V134 PolarHBondContact O-N 3.43Å; A131-Q135 WeakPolarHBondContact O-CB 3.49Å; A131-Q135 PolarHBondContact O-N 3.48Å; A131-F283 HydrophobicContact CB-CE1 4.07Å; A131-F283 HydrophobicContact CB-CE2 4.04Å; A131-F283 HydrophobicContact CB-CZ 3.7Å; A131-L284 HydrophobicContact CB-CD2 4.22Å; A131-L284 WeakPolarHBondContact O-CD2 3.34Å; A131-V287 HydrophobicContact CB-CG2 3.6Å |
| 132 | C | 95 | Very high | 95.6 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 5% | 0.054 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.2 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | D128 E129 I130 E136 V287 L294 | D128-C132 PolarHBondContact O-N 2.93Å; D128-C132 VanDerWaalsContact O-N 3.13Å; D128-C132 PolarHBondContact O-SG 3.06Å; E129-C132 PolarHBondContact O-N 2.88Å; I130-C132 VanDerWaalsContact C-N 3.33Å; I130-C132 PolarHBondContact O-N 2.79Å; C132-E136 PolarHBondContact O-N 3.09Å; C132-V287 HydrophobicContact CB-CG1 4.43Å; C132-L294 HydrophobicContact CB-CD1 3.94Å; C132-L294 HydrophobicContact CB-CD2 3.88Å; C132-L294 HydrophobicContact CB-CG 3.86Å |
| 133 | I | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -46.3 | 177 | -68.7 | 164.7 | 0 | 0 | 0 | 110.7 | V114 L125 E129 I130 Q135 E136 V137 I159 V167 M220 L294 | V114-I133 HydrophobicContact CG1-CD1 4.2Å; V114-I133 HydrophobicContact CG2-CD1 4.01Å; V114-I133 HydrophobicContact CG2-CG2 4.31Å; L125-I133 HydrophobicContact CD1-CD1 3.47Å; L125-I133 VanDerWaalsContact CD1-CD1 3.47Å; E129-I133 WeakPolarHBondContact O-CG1 3.22Å; E129-I133 PolarHBondContact O-N 3.14Å; I130-I133 PolarHBondContact O-N 3.49Å; I133-Q135 PolarHBondContact O-N 3.02Å; I133-E136 PolarHBondContact O-N 2.87Å; I133-V137 HydrophobicContact CG2-CG2 4.29Å; I133-V137 WeakPolarHBondContact O-CB 3.36Å; I133-V137 VanDerWaalsContact O-CG2 3.3Å; I133-V137 WeakPolarHBondContact O-CG2 3.42Å; I133-V137 PolarHBondContact O-N 3.45Å; I133-I159 HydrophobicContact CG2-CD1 4.46Å; I133-I159 HydrophobicContact CG2-CG2 4.05Å; I133-V167 HydrophobicContact CG1-CG2 4.48Å; I133-V167 HydrophobicContact CG2-CG1 4.34Å; I133-M220 HydrophobicContact CB-SD 4.36Å; I133-M220 HydrophobicContact CD1-SD 4.03Å; I133-M220 HydrophobicContact CG2-CE 4.34Å; I133-M220 HydrophobicContact CG2-SD 3.96Å; I133-L294 HydrophobicContact CD1-CD2 4.47Å; I133-L294 HydrophobicContact CG1-CD2 3.93Å |
| 134 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | -178.8 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | I130 A131 V137 L138 L213 C217 M220 F260 L284 | I130-V134 HydrophobicContact CG2-CG2 4.03Å; I130-V134 WeakPolarHBondContact O-CB 3.44Å; I130-V134 VanDerWaalsContact O-CG2 3.23Å; I130-V134 WeakPolarHBondContact O-CG2 3.42Å; I130-V134 PolarHBondContact O-N 2.98Å; A131-V134 PolarHBondContact O-N 3.43Å; V134-V137 PolarHBondContact O-N 3.31Å; V134-L138 HydrophobicContact CG1-CD1 3.96Å; V134-L138 HydrophobicContact CG1-CG 4.35Å; V134-L138 WeakPolarHBondContact O-CB 3.41Å; V134-L138 WeakPolarHBondContact O-CG 3.31Å; V134-L138 PolarHBondContact O-N 3.31Å; V134-L213 HydrophobicContact CG1-CD2 4.43Å; V134-L213 HydrophobicContact CG2-CD1 4.39Å; V134-C217 VanDerWaalsContact CG2-SG 3.57Å; V134-M220 HydrophobicContact CG2-CE 4.07Å; V134-F260 HydrophobicContact CG1-CE1 3.63Å; V134-F260 HydrophobicContact CG1-CE2 4.44Å; V134-F260 HydrophobicContact CG1-CZ 3.46Å; V134-F260 VanDerWaalsContact CG1-CZ 3.46Å; V134-L284 HydrophobicContact CB-CD2 4.17Å; V134-L284 HydrophobicContact CG1-CD1 4.28Å; V134-L284 HydrophobicContact CG1-CD2 3.87Å |
| 135 | Q | 95.5 | Very high | 96.2 | Very high | 16 Ų | 16 | 19.5 Ų | 19.5 | 8% | 0.075 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 178 | 178.6 | 55.8 | 53.9 | 0 | 0 | 112.2 | A131 I133 L138 T139 M279 L284 V287 | A131-Q135 WeakPolarHBondContact O-CB 3.49Å; A131-Q135 PolarHBondContact O-N 3.48Å; I133-Q135 PolarHBondContact O-N 3.02Å; Q135-L138 PolarHBondContact O-N 2.91Å; Q135-T139 PolarHBondContact NE2-OG1 2.99Å; Q135-T139 PolarHBondContact O-N 3.24Å; Q135-T139 PolarHBondContact O-OG1 3.2Å; Q135-M279 PolarHBondContact NE2-SD 2.81Å; Q135-L284 HydrophobicContact CB-CD2 4.45Å; Q135-V287 HydrophobicContact CB-CG1 4.11Å; Q135-V287 HydrophobicContact CB-CG2 4.41Å; Q135-V287 HydrophobicContact CG-CG1 4.21Å |
| 136 | E | 95.8 | Very high | 96.3 | Very high | 51 Ų | 51 | 22.9 Ų | 22.9 | 24% | 0.238 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.4 | -34 | -179.4 | -72.3 | -71.8 | 97 | 0 | 0 | 112.2 | K88 N89 C132 I133 T139 G140 V167 | K88-E136 IonicContact NZ-OE1 3.34Å; K88-E136 PolarHBondContact NZ-OE1 3.49Å; K88-E136 IonicContact NZ-OE2 3.96Å; K88-E136 PolarHBondContact NZ-OE2 3.03Å; N89-E136 WeakPolarHBondContact CB-O 3.47Å; N89-E136 PolarHBondContact ND2-OE2 3.04Å; N89-E136 PolarHBondContact OD1-O 3.36Å; C132-E136 PolarHBondContact O-N 3.09Å; I133-E136 PolarHBondContact O-N 2.87Å; E136-T139 PolarHBondContact O-N 2.97Å; E136-G140 PolarHBondContact O-N 3.39Å; E136-V167 HydrophobicContact CB-CB 3.74Å; E136-V167 HydrophobicContact CB-CG1 4.4Å; E136-V167 HydrophobicContact CB-CG2 4.05Å; E136-V167 HydrophobicContact CG-CB 4.42Å; E136-V167 HydrophobicContact CG-CG2 4.34Å |
| 137 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.3 | -41.5 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | I133 V134 T139 G140 L141 I154 I159 V167 I169 L213 | I133-V137 HydrophobicContact CG2-CG2 4.29Å; I133-V137 WeakPolarHBondContact O-CB 3.36Å; I133-V137 VanDerWaalsContact O-CG2 3.3Å; I133-V137 WeakPolarHBondContact O-CG2 3.42Å; I133-V137 PolarHBondContact O-N 3.45Å; V134-V137 PolarHBondContact O-N 3.31Å; V137-T139 VanDerWaalsContact C-N 3.29Å; V137-T139 PolarHBondContact O-N 3.35Å; V137-G140 PolarHBondContact O-N 3.47Å; V137-G140 VanDerWaalsContact O-N 3.16Å; V137-L141 HydrophobicContact CG1-CD1 4.15Å; V137-L141 HydrophobicContact CG1-CG 4.37Å; V137-L141 WeakPolarHBondContact O-CG 3.44Å; V137-L141 PolarHBondContact O-N 2.93Å; V137-I154 HydrophobicContact CG1-CG2 4.5Å; V137-I159 HydrophobicContact CG2-CD1 3.92Å; V137-I159 HydrophobicContact CG2-CG1 3.97Å; V137-I159 HydrophobicContact CG2-CG2 3.8Å; V137-V167 HydrophobicContact CG2-CG1 3.93Å; V137-I169 HydrophobicContact CG1-CD1 4.13Å; V137-I169 HydrophobicContact CG1-CG1 4.26Å; V137-I169 HydrophobicContact CG2-CG1 4.48Å; V137-L213 HydrophobicContact CB-CD1 4.4Å; V137-L213 HydrophobicContact CG1-CD1 3.88Å |
| 138 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 172.2 | -77.9 | 172.7 | 0 | 0 | 0 | 111.8 | V134 Q135 G140 L141 D142 L213 F260 C275 A278 M279 L284 | V134-L138 HydrophobicContact CG1-CD1 3.96Å; V134-L138 HydrophobicContact CG1-CG 4.35Å; V134-L138 WeakPolarHBondContact O-CB 3.41Å; V134-L138 WeakPolarHBondContact O-CG 3.31Å; V134-L138 PolarHBondContact O-N 3.31Å; Q135-L138 PolarHBondContact O-N 2.91Å; L138-G140 VanDerWaalsContact C-N 3.31Å; L138-G140 PolarHBondContact O-N 2.86Å; L138-L141 PolarHBondContact O-N 2.9Å; L138-D142 WeakPolarHBondContact O-CB 3.37Å; L138-D142 PolarHBondContact O-N 3.38Å; L138-L213 HydrophobicContact CD2-CD2 3.43Å; L138-L213 VanDerWaalsContact CD2-CD2 3.43Å; L138-L213 HydrophobicContact CG-CD2 3.66Å; L138-F260 HydrophobicContact CD1-CE2 4.47Å; L138-F260 HydrophobicContact CD1-CZ 4.24Å; L138-C275 HydrophobicContact CD2-CB 4.07Å; L138-A278 HydrophobicContact CD1-CB 3.89Å; L138-A278 HydrophobicContact CD2-CB 3.82Å; L138-M279 HydrophobicContact CB-CG 3.52Å; L138-M279 HydrophobicContact CB-SD 4.02Å; L138-M279 HydrophobicContact CD1-CG 3.83Å; L138-M279 HydrophobicContact CG-CG 4.26Å; L138-L284 HydrophobicContact CD1-CD1 3.58Å |
| 139 | T | 97 | Very high | 96.4 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -39 | 175.6 | -50.3 | 0 | 0 | 0 | 0 | 111 | H87 Q135 E136 V137 Y143 | H87-T139 PolarHBondContact CE1-O 3.39Å; Q135-T139 PolarHBondContact NE2-OG1 2.99Å; Q135-T139 PolarHBondContact O-N 3.24Å; Q135-T139 PolarHBondContact O-OG1 3.2Å; E136-T139 PolarHBondContact O-N 2.97Å; V137-T139 VanDerWaalsContact C-N 3.29Å; V137-T139 PolarHBondContact O-N 3.35Å; T139-Y143 PolarHBondContact O-N 2.98Å |
| 140 | G | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E136 V137 L138 L144 | E136-G140 PolarHBondContact O-N 3.39Å; V137-G140 PolarHBondContact O-N 3.47Å; V137-G140 VanDerWaalsContact O-N 3.16Å; L138-G140 VanDerWaalsContact C-N 3.31Å; L138-G140 PolarHBondContact O-N 2.86Å; G140-L144 WeakPolarHBondContact O-CG 3.19Å; G140-L144 PolarHBondContact O-N 2.74Å |
| 141 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72 | -43.5 | 177 | -72.6 | 176.3 | 0 | 0 | 0 | 112.2 | V137 L138 Y143 L144 H145 H151 I154 I169 D209 L213 C275 | V137-L141 HydrophobicContact CG1-CD1 4.15Å; V137-L141 HydrophobicContact CG1-CG 4.37Å; V137-L141 WeakPolarHBondContact O-CG 3.44Å; V137-L141 PolarHBondContact O-N 2.93Å; L138-L141 PolarHBondContact O-N 2.9Å; L141-Y143 VanDerWaalsContact C-N 3.26Å; L141-Y143 PolarHBondContact O-N 2.65Å; L141-L144 HydrophobicContact CD2-CD1 4.41Å; L141-L144 WeakPolarHBondContact O-CB 3.26Å; L141-L144 PolarHBondContact O-N 3.17Å; L141-H145 WeakPolarHBondContact O-CB 3.43Å; L141-H145 PolarHBondContact O-CD2 3.4Å; L141-H145 PolarHBondContact O-N 3.46Å; L141-H151 HydrophobicContact CD2-CB 4.46Å; L141-I154 HydrophobicContact CD1-CG1 4.49Å; L141-I154 HydrophobicContact CD2-CD1 3.96Å; L141-I154 HydrophobicContact CD2-CG1 4.08Å; L141-I169 HydrophobicContact CD2-CD1 4.08Å; L141-I169 HydrophobicContact CG-CD1 3.97Å; L141-D209 HydrophobicContact CD1-CB 4.01Å; L141-D209 HydrophobicContact CD2-CB 3.75Å; L141-D209 HydrophobicContact CG-CB 4.49Å; L141-L213 HydrophobicContact CD1-CD2 4.34Å; L141-C275 WeakPolarHBondContact CB-SG 3.42Å |
| 142 | D | 97.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 26% | 0.262 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.3 | -38 | -179.8 | -155.9 | 64.4 | 0 | 0 | 0 | 111.4 | L138 H145 S146 C275 S276 M279 | L138-D142 WeakPolarHBondContact O-CB 3.37Å; L138-D142 PolarHBondContact O-N 3.38Å; D142-H145 PolarHBondContact O-N 3.07Å; D142-S146 WeakPolarHBondContact O-CB 3.34Å; D142-S146 PolarHBondContact O-N 3.29Å; D142-C275 HydrophobicContact CB-CB 3.7Å; D142-C275 WeakPolarHBondContact OD1-CB 3.02Å; D142-S276 WeakPolarHBondContact OD1-CB 3.35Å; D142-S276 PolarHBondContact OD1-N 3.05Å; D142-M279 HydrophobicContact CB-CE 3.76Å |
| 143 | Y | 97.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 26.4 Ų | 26.4 | 18% | 0.176 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.4 | -55.6 | 168.1 | 165.2 | -110.2 | 0 | 0 | 0 | 112.3 | L85 S86 H87 T139 L141 H145 S146 E147 | L85-Y143 HydrophobicContact CD2-CE1 4.28Å; S86-Y143 PolarHBondContact N-OH 3.49Å; H87-Y143 HydrophobicContact CB-CD1 3.37Å; H87-Y143 HydrophobicContact CB-CD2 4.15Å; H87-Y143 HydrophobicContact CB-CE1 3.49Å; H87-Y143 VanDerWaalsContact CB-CE1 3.49Å; H87-Y143 HydrophobicContact CB-CE2 4.27Å; H87-Y143 HydrophobicContact CB-CG 3.71Å; H87-Y143 AromaticContact CG-CD1 3.77Å; H87-Y143 AromaticContact CG-CG 3.74Å; T139-Y143 PolarHBondContact O-N 2.98Å; L141-Y143 VanDerWaalsContact C-N 3.26Å; L141-Y143 PolarHBondContact O-N 2.65Å; Y143-H145 VanDerWaalsContact C-N 3.28Å; Y143-H145 PolarHBondContact O-N 3.06Å; Y143-S146 PolarHBondContact O-N 3.27Å; Y143-S146 PolarHBondContact O-OG 3.2Å; Y143-E147 HydrophobicContact CE2-CG 4.28Å; Y143-E147 PolarHBondContact O-N 3.44Å |
| 144 | L | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 179 | -65.4 | 169.4 | 0 | 0 | 0 | 111.8 | F81 L85 G140 L141 E147 K148 R149 F172 | F81-L144 HydrophobicContact CE1-CD2 4.32Å; F81-L144 HydrophobicContact CZ-CD2 4.21Å; L85-L144 HydrophobicContact CD2-CD2 3.65Å; G140-L144 WeakPolarHBondContact O-CG 3.19Å; G140-L144 PolarHBondContact O-N 2.74Å; L141-L144 HydrophobicContact CD2-CD1 4.41Å; L141-L144 WeakPolarHBondContact O-CB 3.26Å; L141-L144 PolarHBondContact O-N 3.17Å; L144-E147 CarbonylContact O-C 3.48Å; L144-E147 WeakPolarHBondContact O-CB 3.44Å; L144-E147 PolarHBondContact O-N 2.88Å; L144-K148 PolarHBondContact O-N 2.91Å; L144-R149 HydrophobicContact CB-CB 4.28Å; L144-R149 HydrophobicContact CD2-CB 4.47Å; L144-R149 WeakPolarHBondContact O-CA 3.44Å; L144-R149 WeakPolarHBondContact O-CB 3.03Å; L144-R149 PolarHBondContact O-N 3.02Å; L144-F172 HydrophobicContact CD1-CE1 3.99Å; L144-F172 HydrophobicContact CD2-CE1 4.41Å |
| 145 | H | 97.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -73.7 | -32.8 | -176.8 | -64.5 | -175.6 | 0 | 0 | 0 | 112.3 | L141 D142 Y143 E147 K148 R149 V206 D209 C275 | L141-H145 WeakPolarHBondContact O-CB 3.43Å; L141-H145 PolarHBondContact O-CD2 3.4Å; L141-H145 PolarHBondContact O-N 3.46Å; D142-H145 PolarHBondContact O-N 3.07Å; Y143-H145 VanDerWaalsContact C-N 3.28Å; Y143-H145 PolarHBondContact O-N 3.06Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-K148 PolarHBondContact O-N 3.14Å; H145-K148 VanDerWaalsContact O-N 3.15Å; H145-R149 PolarHBondContact CD2-O 2.89Å; H145-V206 HydrophobicContact CB-CB 4Å; H145-V206 HydrophobicContact CB-CG1 3.86Å; H145-V206 HydrophobicContact CB-CG2 4.35Å; H145-V206 PolarHBondContact CE1-O 3.3Å; H145-V206 PolarHBondContact NE2-O 2.69Å; H145-D209 IonicContact CD2-OD2 3.52Å; H145-D209 IonicContact CE1-OD2 3.22Å; H145-D209 IonicContact NE2-OD2 2.64Å; H145-D209 PolarHBondContact NE2-OD2 3.35Å; H145-C275 VanDerWaalsContact CE1-SG 3.55Å; H145-C275 PolarHBondContact ND1-SG 2.94Å; H145-C275 VanDerWaalsContact ND1-SG 3.42Å |
| 146 | S | 95.5 | Very high | 96.7 | Very high | 77 Ų | 77 | 26.9 Ų | 26.9 | 54% | 0.538 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 170.4 | 77.6 | 0 | 0 | 0 | 0 | 111 | D142 Y143 K148 | D142-S146 WeakPolarHBondContact O-CB 3.34Å; D142-S146 PolarHBondContact O-N 3.29Å; Y143-S146 PolarHBondContact O-N 3.27Å; Y143-S146 PolarHBondContact O-OG 3.2Å; S146-K148 PolarHBondContact O-N 3.2Å; S146-K148 VanDerWaalsContact O-N 3.16Å |
| 147 | E | 94.2 | Very high | 96.6 | Very high | 93 Ų | 93 | 26.6 Ų | 26.6 | 44% | 0.435 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 4.6 | 174 | -77 | -76.6 | 125.2 | 0 | 0 | 114.6 | Y143 L144 H145 R149 | Y143-E147 HydrophobicContact CE2-CG 4.28Å; Y143-E147 PolarHBondContact O-N 3.44Å; L144-E147 CarbonylContact O-C 3.48Å; L144-E147 WeakPolarHBondContact O-CB 3.44Å; L144-E147 PolarHBondContact O-N 2.88Å; H145-E147 VanDerWaalsContact C-N 3.33Å; E147-R149 HydrophobicContact CB-CG 4.07Å; E147-R149 PolarHBondContact O-N 3Å; E147-R149 IonicContact OE2-CZ 2.72Å; E147-R149 IonicContact OE2-NE 3.76Å; E147-R149 PolarHBondContact OE2-NE 3.46Å; E147-R149 IonicContact OE2-NH2 3.62Å; E147-R149 PolarHBondContact OE2-NH2 3.48Å |
| 148 | K | 94.5 | Very high | 96.5 | Very high | 127 Ų | 127 | 27.2 Ų | 27.2 | 55% | 0.552 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 24.9 | -176.5 | -50.8 | -55.7 | 171.8 | -159 | 0 | 115 | L144 H145 S146 V178 S179 | L144-K148 PolarHBondContact O-N 2.91Å; H145-K148 PolarHBondContact O-N 3.14Å; H145-K148 VanDerWaalsContact O-N 3.15Å; S146-K148 PolarHBondContact O-N 3.2Å; S146-K148 VanDerWaalsContact O-N 3.16Å; K148-V178 CarbonylContact O-C 3.58Å; K148-V178 WeakPolarHBondContact O-CA 3.48Å; K148-S179 WeakPolarHBondContact O-CB 3.34Å; K148-S179 PolarHBondContact O-N 2.89Å |
| 149 | R | 95.6 | Very high | 96.5 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | trans | -94.4 | 155.8 | 174.8 | -56.6 | 166.6 | -165.7 | -107.9 | -0.1 | 110.6 | F81 L144 H145 E147 S176 | F81-R149 HydrophobicContact CE2-CB 3.88Å; F81-R149 HydrophobicContact CE2-CG 3.86Å; F81-R149 HydrophobicContact CZ-CB 3.79Å; F81-R149 HydrophobicContact CZ-CG 4.05Å; L144-R149 HydrophobicContact CB-CB 4.28Å; L144-R149 HydrophobicContact CD2-CB 4.47Å; L144-R149 WeakPolarHBondContact O-CA 3.44Å; L144-R149 WeakPolarHBondContact O-CB 3.03Å; L144-R149 PolarHBondContact O-N 3.02Å; H145-R149 PolarHBondContact CD2-O 2.89Å; E147-R149 HydrophobicContact CB-CG 4.07Å; E147-R149 PolarHBondContact O-N 3Å; E147-R149 IonicContact OE2-CZ 2.72Å; E147-R149 IonicContact OE2-NE 3.76Å; E147-R149 PolarHBondContact OE2-NE 3.46Å; E147-R149 IonicContact OE2-NH2 3.62Å; E147-R149 PolarHBondContact OE2-NH2 3.48Å; R149-S176 VanDerWaalsContact CA-O 3.24Å; R149-S176 WeakPolarHBondContact CA-O 3.49Å; R149-S176 WeakPolarHBondContact CB-O 3.35Å | ||
| 150 | I | 95.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -133.4 | 135.5 | 178.6 | -40.3 | 176.3 | 0 | 0 | 0 | 108.6 | R152 A175 S176 A181 Y204 V206 V208 D209 | I150-R152 HydrophobicContact CB-CG 3.87Å; I150-R152 HydrophobicContact CG2-CG 3.44Å; I150-R152 VanDerWaalsContact CG2-CG 3.44Å; I150-A175 CarbonylContact O-C 3.58Å; I150-A175 VanDerWaalsContact O-CA 3.27Å; I150-A175 WeakPolarHBondContact O-CA 3.47Å; I150-S176 PolarHBondContact N-O 3.07Å; I150-S176 VanDerWaalsContact N-O 3.08Å; I150-S176 PolarHBondContact O-N 3.04Å; I150-A181 HydrophobicContact CD1-CB 4.06Å; I150-Y204 HydrophobicContact CD1-CD2 4.34Å; I150-Y204 HydrophobicContact CD1-CE2 4.2Å; I150-V206 HydrophobicContact CG1-CG1 4.19Å; I150-V208 HydrophobicContact CG2-CG2 3.41Å; I150-V208 VanDerWaalsContact CG2-CG2 3.41Å; I150-D209 WeakPolarHBondContact CG2-OD2 3.41Å |
| 151 | H | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -80.8 | -44.5 | -179.9 | -165.4 | -63.2 | 0 | 0 | 0 | 112.9 | L141 D153 I154 I169 G170 D171 F172 S174 D209 | L141-H151 HydrophobicContact CD2-CB 4.46Å; H151-D153 PolarHBondContact ND1-N 3.47Å; H151-D153 PolarHBondContact O-N 2.83Å; H151-I154 HydrophobicContact CB-CD1 3.88Å; H151-I154 HydrophobicContact CB-CG1 4.15Å; H151-I169 WeakPolarHBondContact CD2-CG2 3.38Å; H151-I169 VanDerWaalsContact NE2-CG2 3.32Å; H151-I169 WeakPolarHBondContact NE2-CG2 3.23Å; H151-G170 PolarHBondContact CE1-O 3.35Å; H151-G170 PolarHBondContact NE2-O 3.17Å; H151-D171 PolarHBondContact CE1-O 2.86Å; H151-F172 AromaticContact CD2-CD1 3.57Å; H151-F172 AromaticContact CD2-CE1 3.44Å; H151-F172 VanDerWaalsContact CD2-CE1 3.44Å; H151-F172 WeakPolarHBondContact CD2-CE1 3.48Å; H151-F172 AromaticContact NE2-CD1 3.66Å; H151-F172 AromaticContact NE2-CE1 3.73Å; H151-S174 CarbonylContact O-C 3.52Å; H151-D209 PolarHBondContact N-OD1 2.98Å; H151-D209 PolarHBondContact N-OD2 3.4Å | ||
| 152 | R | 95.3 | Very high | 96.2 | Very high | 24 Ų | 24 | 28.8 Ų | 28.8 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | trans | 62.8 | 16.8 | 177.1 | -48.4 | -175.5 | -67.6 | -175.4 | 0.9 | 115.7 | I150 S174 A175 S183 V185 G186 Y204 V208 D209 | I150-R152 HydrophobicContact CB-CG 3.87Å; I150-R152 HydrophobicContact CG2-CG 3.44Å; I150-R152 VanDerWaalsContact CG2-CG 3.44Å; R152-S174 PolarHBondContact NE-O 2.74Å; R152-S174 PolarHBondContact NH2-O 2.91Å; R152-A175 PolarHBondContact NH2-O 3.33Å; R152-S183 PolarHBondContact NH1-OG 3.39Å; R152-V185 HydrophobicContact CB-CG2 3.99Å; R152-V185 VanDerWaalsContact CZ-CG2 3.47Å; R152-G186 WeakPolarHBondContact O-CA 3.34Å; R152-Y204 VanDerWaalsContact CD-OH 3.24Å; R152-Y204 WeakPolarHBondContact CD-OH 3.42Å; R152-Y204 HydrophobicContact CG-CE2 4.38Å; R152-Y204 PolarHBondContact NH1-OH 2.93Å; R152-V208 HydrophobicContact CG-CG2 4.25Å; R152-D209 PolarHBondContact N-OD1 2.76Å | ||
| 153 | D | 96.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | trans | -158 | 43.5 | 179.8 | -159 | 38.6 | 0 | 0 | 0 | 113.1 | H151 K155 N158 T187 | H151-D153 PolarHBondContact ND1-N 3.47Å; H151-D153 PolarHBondContact O-N 2.83Å; D153-K155 IonicContact OD1-NZ 3.72Å; D153-K155 PolarHBondContact OD1-NZ 2.87Å; D153-K155 IonicContact OD2-NZ 3.36Å; D153-K155 PolarHBondContact OD2-NZ 3.37Å; D153-N158 PolarHBondContact O-ND2 2.99Å; D153-N158 PolarHBondContact OD2-ND2 2.95Å; D153-T187 WeakPolarHBondContact OD1-CB 3.22Å; D153-T187 PolarHBondContact OD1-N 2.93Å; D153-T187 PolarHBondContact OD1-OG1 3.28Å | ||
| 154 | I | 98.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | trans | -77.1 | 124.7 | 175.2 | -58.5 | -62.1 | 0 | 0 | 0 | 109.6 | V137 L141 H151 I169 W190 D209 L213 T216 | V137-I154 HydrophobicContact CG1-CG2 4.5Å; L141-I154 HydrophobicContact CD1-CG1 4.49Å; L141-I154 HydrophobicContact CD2-CD1 3.96Å; L141-I154 HydrophobicContact CD2-CG1 4.08Å; H151-I154 HydrophobicContact CB-CD1 3.88Å; H151-I154 HydrophobicContact CB-CG1 4.15Å; I154-I169 HydrophobicContact CD1-CG2 3.68Å; I154-W190 VanDerWaalsContact O-CD1 3.24Å; I154-D209 HydrophobicContact CG1-CB 4.34Å; I154-L213 HydrophobicContact CG2-CB 4.35Å; I154-T216 PolarHBondContact O-OG1 3.47Å | ||
| 155 | K | 97.7 | Very high | 95.3 | Very high | 27 Ų | 27 | 32 Ų | 32 | 12% | 0.117 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -163 | 160.5 | -178.7 | 65 | -158.3 | -170.8 | -141.7 | 0 | 109.1 | D153 A157 N158 I159 T187 W190 T216 | D153-K155 IonicContact OD1-NZ 3.72Å; D153-K155 PolarHBondContact OD1-NZ 2.87Å; D153-K155 IonicContact OD2-NZ 3.36Å; D153-K155 PolarHBondContact OD2-NZ 3.37Å; K155-A157 HydrophobicContact CG-CB 4.26Å; K155-A157 PolarHBondContact O-N 2.73Å; K155-A157 VanDerWaalsContact O-N 3.1Å; K155-N158 VanDerWaalsContact CE-CG 3.47Å; K155-N158 WeakPolarHBondContact CE-ND2 3.22Å; K155-N158 VanDerWaalsContact CE-OD1 3.24Å; K155-N158 WeakPolarHBondContact CE-OD1 3.23Å; K155-N158 HydrophobicContact CG-CB 4.03Å; K155-N158 PolarHBondContact NZ-ND2 2.76Å; K155-N158 PolarHBondContact O-N 3.1Å; K155-I159 PolarHBondContact O-N 3.14Å; K155-T187 HydrophobicContact CD-CG2 4.46Å; K155-T187 PolarHBondContact NZ-OG1 3.49Å; K155-W190 HydrophobicContact CB-CD2 3.81Å; K155-W190 VanDerWaalsContact CB-CE2 3.44Å; K155-W190 HydrophobicContact CB-CE3 4.48Å; K155-W190 HydrophobicContact CB-CG 4.03Å; K155-W190 HydrophobicContact CB-CZ2 3.87Å; K155-T216 WeakPolarHBondContact CA-OG1 3.38Å |
| 156 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62.5 | -24.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | V114 A115 L118 N158 T216 E219 | V114-A156 HydrophobicContact CB-CB 4Å; V114-A156 HydrophobicContact CG1-CB 4.03Å; V114-A156 PolarHBondContact N-O 3Å; V114-A156 VanDerWaalsContact N-O 3.12Å; A115-A156 HydrophobicContact CB-CB 4.16Å; A115-A156 PolarHBondContact N-O 2.86Å; L118-A156 HydrophobicContact CD1-CB 4.24Å; A156-N158 VanDerWaalsContact C-N 3.32Å; A156-T216 HydrophobicContact CB-CG2 4.17Å; A156-E219 HydrophobicContact CB-CG 4.03Å; A156-E219 VanDerWaalsContact CB-OE1 3.29Å; A156-E219 WeakPolarHBondContact CB-OE1 3.46Å; A156-E219 WeakPolarHBondContact CB-OE2 3.34Å; A156-E219 PolarHBondContact N-OE1 2.94Å; A156-E219 PolarHBondContact N-OE2 3.44Å |
| 157 | A | 94.6 | Very high | 95.1 | Very high | 44 Ų | 44 | 29 Ų | 29 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -71.4 | -22.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S113 A115 K155 | S113-A157 WeakPolarHBondContact CB-O 3.29Å; A115-A157 HydrophobicContact CB-CB 3.91Å; K155-A157 HydrophobicContact CG-CB 4.26Å; K155-A157 PolarHBondContact O-N 2.73Å; K155-A157 VanDerWaalsContact O-N 3.1Å |
| 158 | N | 96.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -101.2 | -0.4 | 179.1 | -73.9 | 6.7 | 0 | 0 | 0 | 112.8 | D153 K155 A156 G170 | D153-N158 PolarHBondContact O-ND2 2.99Å; D153-N158 PolarHBondContact OD2-ND2 2.95Å; K155-N158 VanDerWaalsContact CE-CG 3.47Å; K155-N158 WeakPolarHBondContact CE-ND2 3.22Å; K155-N158 VanDerWaalsContact CE-OD1 3.24Å; K155-N158 WeakPolarHBondContact CE-OD1 3.23Å; K155-N158 HydrophobicContact CG-CB 4.03Å; K155-N158 PolarHBondContact NZ-ND2 2.76Å; K155-N158 PolarHBondContact O-N 3.1Å; A156-N158 VanDerWaalsContact C-N 3.32Å; N158-G170 WeakPolarHBondContact CB-O 3.39Å; N158-G170 PolarHBondContact O-N 2.86Å |
| 159 | I | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.5 | 170.1 | -59.2 | 165 | 0 | 0 | 0 | 107.2 | S113 V114 I133 V137 K155 V167 T216 | S113-I159 CarbonylContact C-O 3.58Å; S113-I159 WeakPolarHBondContact CA-O 3.36Å; V114-I159 HydrophobicContact CG2-CB 3.97Å; V114-I159 HydrophobicContact CG2-CG2 3.66Å; V114-I159 PolarHBondContact N-O 3.39Å; I133-I159 HydrophobicContact CG2-CD1 4.46Å; I133-I159 HydrophobicContact CG2-CG2 4.05Å; V137-I159 HydrophobicContact CG2-CD1 3.92Å; V137-I159 HydrophobicContact CG2-CG1 3.97Å; V137-I159 HydrophobicContact CG2-CG2 3.8Å; K155-I159 PolarHBondContact O-N 3.14Å; I159-V167 HydrophobicContact CG2-CG1 3.45Å; I159-V167 VanDerWaalsContact CG2-CG1 3.45Å; I159-T216 HydrophobicContact CD1-CG2 3.63Å |
| 160 | L | 96.6 | Very high | 95.4 | Very high | 43 Ų | 43 | 18.6 Ų | 18.6 | 23% | 0.225 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 153.8 | -177.9 | -52.6 | -170 | 0 | 0 | 0 | 112 | V91 C110 G112 V167 K168 | V91-L160 HydrophobicContact CG2-CD1 3.82Å; V91-L160 HydrophobicContact CG2-CG 4.47Å; C110-L160 HydrophobicContact CB-CB 3.75Å; C110-L160 HydrophobicContact CB-CD1 4.01Å; C110-L160 HydrophobicContact CB-CG 4.49Å; G112-L160 WeakPolarHBondContact O-CA 3.27Å; L160-V167 WeakPolarHBondContact O-CA 3.35Å; L160-K168 PolarHBondContact N-O 3.44Å; L160-K168 PolarHBondContact O-N 3.43Å |
| 161 | L | 95.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.7 | 176.9 | -57.4 | 178.3 | 0 | 0 | 0 | 110.7 | C110 I111 G112 V114 V117 G166 V167 | C110-L161 CarbonylContact C-O 3.26Å; C110-L161 WeakPolarHBondContact CA-O 3.46Å; C110-L161 VanDerWaalsContact CB-O 3.28Å; C110-L161 WeakPolarHBondContact CB-O 3.44Å; I111-L161 HydrophobicContact CG1-CB 4.47Å; I111-L161 VanDerWaalsContact CG1-O 3.29Å; I111-L161 WeakPolarHBondContact CG1-O 3.19Å; I111-L161 PolarHBondContact N-O 2.97Å; G112-L161 PolarHBondContact O-N 2.83Å; V114-L161 HydrophobicContact CG2-CD2 4.27Å; V114-L161 HydrophobicContact CG2-CG 4.34Å; V117-L161 HydrophobicContact CG2-CD1 3.82Å; L161-G166 WeakPolarHBondContact CA-O 3.28Å; L161-V167 HydrophobicContact CD2-CB 4.44Å; L161-V167 HydrophobicContact CD2-CG1 4.36Å; L161-V167 HydrophobicContact CD2-CG2 3.91Å |
| 162 | T | 93 | Very high | 94.9 | Very high | 20 Ų | 20 | 21.3 Ų | 21.3 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | trans | -83.6 | 156.2 | 167.3 | 68 | 0 | 0 | 0 | 0 | 110.1 | S164 G165 G166 K168 I298 | T162-S164 PolarHBondContact O-N 3.07Å; T162-S164 PolarHBondContact OG1-OG 3.38Å; T162-G165 PolarHBondContact O-N 3.03Å; T162-G166 PolarHBondContact N-O 2.92Å; T162-G166 WeakPolarHBondContact OG1-CA 3.3Å; T162-G166 PolarHBondContact OG1-N 3.48Å; T162-G166 PolarHBondContact OG1-O 3.49Å; T162-K168 HydrophobicContact CG2-CD 3.78Å; T162-I298 WeakPolarHBondContact O-CD1 3.46Å | ||
| 163 | D | 91 | Very high | 94.5 | Very high | 51 Ų | 51 | 20.8 Ų | 20.8 | 27% | 0.273 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.5 | -178.3 | -152.6 | 57.5 | 0 | 0 | 0 | 113.9 | I111 G165 K302 E322 | I111-D163 HydrophobicContact CG2-CB 4.05Å; I111-D163 WeakPolarHBondContact CG2-OD1 3.41Å; D163-G165 VanDerWaalsContact C-N 3.35Å; D163-G165 PolarHBondContact O-N 2.88Å; D163-K302 WeakPolarHBondContact OD1-CE 3.44Å; D163-K302 IonicContact OD1-NZ 3.53Å; D163-K302 PolarHBondContact OD1-NZ 2.85Å; D163-K302 IonicContact OD2-NZ 2.74Å; D163-K302 PolarHBondContact OD2-NZ 3.31Å; D163-E322 WeakPolarHBondContact CB-OE2 3.34Å |
| 164 | S | 89.9 | Confident | 94.2 | Very high | 98 Ų | 98 | 21.8 Ų | 21.8 | 69% | 0.685 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1 | 178.8 | 54.2 | 0 | 0 | 0 | 0 | 115.7 | T162 | T162-S164 PolarHBondContact O-N 3.07Å; T162-S164 PolarHBondContact OG1-OG 3.38Å |
| 165 | G | 90.9 | Very high | 94 | Very high | 12 Ų | 12 | 22 Ų | 22 | 12% | 0.124 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 90.5 | 8.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T162 D163 L294 I298 | T162-G165 PolarHBondContact O-N 3.03Å; D163-G165 VanDerWaalsContact C-N 3.35Å; D163-G165 PolarHBondContact O-N 2.88Å; G165-L294 WeakPolarHBondContact O-CB 3.47Å; G165-L294 WeakPolarHBondContact O-CD1 3.32Å; G165-I298 VanDerWaalsContact CA-CD1 3.48Å |
| 166 | G | 93.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 25% | 0.247 | 14% | 0.143 | C | C | . | . | trans | -78.6 | 143.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L161 T162 | L161-G166 WeakPolarHBondContact CA-O 3.28Å; T162-G166 PolarHBondContact N-O 2.92Å; T162-G166 WeakPolarHBondContact OG1-CA 3.3Å; T162-G166 PolarHBondContact OG1-N 3.48Å; T162-G166 PolarHBondContact OG1-O 3.49Å | ||
| 167 | V | 97 | Very high | 93.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.5 | -179.4 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | N89 I133 E136 V137 I159 L160 L161 L294 | N89-V167 WeakPolarHBondContact CA-O 3.34Å; N89-V167 PolarHBondContact ND2-O 3.23Å; I133-V167 HydrophobicContact CG1-CG2 4.48Å; I133-V167 HydrophobicContact CG2-CG1 4.34Å; E136-V167 HydrophobicContact CB-CB 3.74Å; E136-V167 HydrophobicContact CB-CG1 4.4Å; E136-V167 HydrophobicContact CB-CG2 4.05Å; E136-V167 HydrophobicContact CG-CB 4.42Å; E136-V167 HydrophobicContact CG-CG2 4.34Å; V137-V167 HydrophobicContact CG2-CG1 3.93Å; I159-V167 HydrophobicContact CG2-CG1 3.45Å; I159-V167 VanDerWaalsContact CG2-CG1 3.45Å; L160-V167 WeakPolarHBondContact O-CA 3.35Å; L161-V167 HydrophobicContact CD2-CB 4.44Å; L161-V167 HydrophobicContact CD2-CG1 4.36Å; L161-V167 HydrophobicContact CD2-CG2 3.91Å; V167-L294 HydrophobicContact CG2-CD1 3.49Å; V167-L294 VanDerWaalsContact CG2-CD1 3.49Å |
| 168 | K | 97.5 | Very high | 93.3 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 8% | 0.078 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.7 | -175.3 | -74.4 | 172.9 | 174.4 | -76.6 | 0 | 112.7 | K88 C90 V91 E108 L160 T162 | K88-K168 WeakPolarHBondContact O-CE 3.32Å; K88-K168 WeakPolarHBondContact O-CG 3.39Å; K88-K168 PolarHBondContact O-NZ 2.97Å; C90-K168 PolarHBondContact O-NZ 3.16Å; C90-K168 VanDerWaalsContact O-NZ 3.15Å; V91-K168 HydrophobicContact CG2-CB 3.96Å; E108-K168 HydrophobicContact CG-CD 4.47Å; E108-K168 WeakPolarHBondContact OE1-CE 3.39Å; E108-K168 IonicContact OE1-NZ 3.69Å; E108-K168 PolarHBondContact OE1-NZ 2.87Å; E108-K168 WeakPolarHBondContact OE2-CE 3.42Å; E108-K168 IonicContact OE2-NZ 2.88Å; E108-K168 PolarHBondContact OE2-NZ 2.93Å; L160-K168 PolarHBondContact N-O 3.44Å; L160-K168 PolarHBondContact O-N 3.43Å; T162-K168 HydrophobicContact CG2-CD 3.78Å |
| 169 | I | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.4 | 171.3 | -56.1 | 171.6 | 0 | 0 | 0 | 109.3 | N89 V91 V137 L141 H151 I154 F172 | N89-I169 WeakPolarHBondContact O-CG1 3.46Å; N89-I169 PolarHBondContact O-N 3.31Å; V91-I169 WeakPolarHBondContact CG2-O 3.23Å; V91-I169 PolarHBondContact N-O 3.34Å; V137-I169 HydrophobicContact CG1-CD1 4.13Å; V137-I169 HydrophobicContact CG1-CG1 4.26Å; V137-I169 HydrophobicContact CG2-CG1 4.48Å; L141-I169 HydrophobicContact CD2-CD1 4.08Å; L141-I169 HydrophobicContact CG-CD1 3.97Å; H151-I169 WeakPolarHBondContact CD2-CG2 3.38Å; H151-I169 VanDerWaalsContact NE2-CG2 3.32Å; H151-I169 WeakPolarHBondContact NE2-CG2 3.23Å; I154-I169 HydrophobicContact CD1-CG2 3.68Å; I169-F172 HydrophobicContact CB-CZ 4.45Å; I169-F172 HydrophobicContact CG2-CE1 4.35Å; I169-F172 HydrophobicContact CG2-CZ 4.17Å; I169-F172 WeakPolarHBondContact O-CE2 3.48Å; I169-F172 WeakPolarHBondContact O-CZ 3.35Å |
| 170 | G | 93.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | trans | -139.5 | 177.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | H151 N158 | H151-G170 PolarHBondContact CE1-O 3.35Å; H151-G170 PolarHBondContact NE2-O 3.17Å; N158-G170 WeakPolarHBondContact CB-O 3.39Å; N158-G170 PolarHBondContact O-N 2.86Å | ||
| 171 | D | 90.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 29.7 Ų | 29.7 | 29% | 0.289 | 19% | 0.189 | S | C | . | . | trans | 60.3 | 65.1 | -172.9 | -159.1 | 35 | 0 | 0 | 0 | 115 | K57 H151 G173 | K57-D171 IonicContact NZ-OD1 3.15Å; K57-D171 PolarHBondContact NZ-OD1 3.25Å; H151-D171 PolarHBondContact CE1-O 2.86Å; D171-G173 PolarHBondContact O-N 3.15Å | ||
| 172 | F | 92.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -75.1 | 13.6 | 179.6 | -62.4 | -87.4 | 0 | 0 | 0 | 114.5 | F81 L82 L85 C90 L144 H151 I169 S174 A175 | F81-F172 HydrophobicContact CD1-CB 3.77Å; F81-F172 AromaticContact CD1-CD1 3.85Å; F81-F172 HydrophobicContact CD1-CD1 3.85Å; F81-F172 AromaticContact CD1-CG 3.95Å; F81-F172 HydrophobicContact CD1-CG 3.95Å; F81-F172 HydrophobicContact CE1-CB 4.15Å; F81-F172 AromaticContact CE1-CD1 3.35Å; F81-F172 HydrophobicContact CE1-CD1 3.35Å; F81-F172 AromaticContact CE1-CE1 3.96Å; F81-F172 HydrophobicContact CE1-CE1 3.96Å; F81-F172 AromaticContact CE1-CG 3.95Å; F81-F172 HydrophobicContact CE1-CG 3.95Å; F81-F172 HydrophobicContact CZ-CD1 4.33Å; L82-F172 HydrophobicContact CD2-CD2 3.45Å; L82-F172 VanDerWaalsContact CD2-CD2 3.45Å; L82-F172 HydrophobicContact CD2-CE2 3.85Å; L82-F172 HydrophobicContact CD2-CG 4.33Å; L82-F172 HydrophobicContact CG-CD2 4.11Å; L85-F172 HydrophobicContact CD1-CD1 4.15Å; L85-F172 HydrophobicContact CD1-CD2 4.11Å; L85-F172 HydrophobicContact CD1-CE1 3.72Å; L85-F172 HydrophobicContact CD1-CE2 3.7Å; L85-F172 HydrophobicContact CD1-CG 4.31Å; L85-F172 HydrophobicContact CD1-CZ 3.49Å; L85-F172 VanDerWaalsContact CD1-CZ 3.49Å; C90-F172 HydrophobicContact CB-CZ 4.08Å; L144-F172 HydrophobicContact CD1-CE1 3.99Å; L144-F172 HydrophobicContact CD2-CE1 4.41Å; H151-F172 AromaticContact CD2-CD1 3.57Å; H151-F172 AromaticContact CD2-CE1 3.44Å; H151-F172 VanDerWaalsContact CD2-CE1 3.44Å; H151-F172 WeakPolarHBondContact CD2-CE1 3.48Å; H151-F172 AromaticContact NE2-CD1 3.66Å; H151-F172 AromaticContact NE2-CE1 3.73Å; I169-F172 HydrophobicContact CB-CZ 4.45Å; I169-F172 HydrophobicContact CG2-CE1 4.35Å; I169-F172 HydrophobicContact CG2-CZ 4.17Å; I169-F172 WeakPolarHBondContact O-CE2 3.48Å; I169-F172 WeakPolarHBondContact O-CZ 3.35Å; F172-S174 PolarHBondContact O-N 2.88Å; F172-S174 VanDerWaalsContact O-N 3.13Å; F172-A175 HydrophobicContact CB-CB 4.08Å; F172-A175 HydrophobicContact CD1-CB 4.33Å; F172-A175 WeakPolarHBondContact O-CB 3.36Å; F172-A175 PolarHBondContact O-N 2.62Å |
| 173 | G | 87.4 | Confident | 91.4 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -60.5 | -22.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D171 | D171-G173 PolarHBondContact O-N 3.15Š|
| 174 | S | 90.4 | Very high | 91.2 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -94.9 | -2.3 | 173.7 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | H151 R152 F172 | H151-S174 CarbonylContact O-C 3.52Å; R152-S174 PolarHBondContact NE-O 2.74Å; R152-S174 PolarHBondContact NH2-O 2.91Å; F172-S174 PolarHBondContact O-N 2.88Å; F172-S174 VanDerWaalsContact O-N 3.13Å |
| 175 | A | 93.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | trans | -67.4 | 158.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F81 I150 R152 F172 | F81-A175 HydrophobicContact CD1-CB 4Å; F81-A175 HydrophobicContact CD2-CB 3.98Å; F81-A175 HydrophobicContact CE1-CB 3.82Å; F81-A175 HydrophobicContact CE2-CB 3.79Å; F81-A175 HydrophobicContact CG-CB 4.07Å; F81-A175 HydrophobicContact CZ-CB 3.7Å; I150-A175 CarbonylContact O-C 3.58Å; I150-A175 VanDerWaalsContact O-CA 3.27Å; I150-A175 WeakPolarHBondContact O-CA 3.47Å; R152-A175 PolarHBondContact NH2-O 3.33Å; F172-A175 HydrophobicContact CB-CB 4.08Å; F172-A175 HydrophobicContact CD1-CB 4.33Å; F172-A175 WeakPolarHBondContact O-CB 3.36Å; F172-A175 PolarHBondContact O-N 2.62Å | ||
| 176 | S | 93.1 | Very high | 91 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -115 | 133.5 | 171.6 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | F81 R149 I150 V178 | F81-S176 WeakPolarHBondContact CE2-O 3.41Å; R149-S176 VanDerWaalsContact CA-O 3.24Å; R149-S176 WeakPolarHBondContact CA-O 3.49Å; R149-S176 WeakPolarHBondContact CB-O 3.35Å; I150-S176 PolarHBondContact N-O 3.07Å; I150-S176 VanDerWaalsContact N-O 3.08Å; I150-S176 PolarHBondContact O-N 3.04Å; S176-V178 WeakPolarHBondContact CB-O 3.29Å; S176-V178 PolarHBondContact O-N 3.41Å; S176-V178 PolarHBondContact OG-N 3.25Å; S176-V178 VanDerWaalsContact OG-N 3.16Å; S176-V178 PolarHBondContact OG-O 2.85Å |
| 177 | F | 92.2 | Very high | 90.8 | Very high | 78 Ų | 78 | 36.2 Ų | 36.2 | 34% | 0.342 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -72.5 | -14.5 | 167.7 | -76.6 | -88.5 | 0 | 0 | 0 | 113.6 | R77 K80 F81 | R77-F177 HydrophobicContact CG-CD2 4.3Å; R77-F177 HydrophobicContact CG-CE2 3.84Å; K80-F177 HydrophobicContact CB-CZ 3.94Å; F81-F177 VanDerWaalsContact CA-CZ 3.4Å; F81-F177 HydrophobicContact CB-CE1 4.34Å; F81-F177 HydrophobicContact CB-CE2 3.97Å; F81-F177 HydrophobicContact CB-CZ 3.76Å; F81-F177 HydrophobicContact CD2-CD1 4.01Å; F81-F177 HydrophobicContact CD2-CD2 4.01Å; F81-F177 HydrophobicContact CD2-CE1 4.02Å; F81-F177 HydrophobicContact CD2-CE2 4.01Å; F81-F177 HydrophobicContact CD2-CG 4.03Å; F81-F177 HydrophobicContact CD2-CZ 4.04Å; F81-F177 HydrophobicContact CG-CZ 4.37Å |
| 178 | V | 89.7 | Confident | 90.6 | Very high | 90 Ų | 90 | 37.9 Ų | 37.9 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -130.6 | 146.5 | -173.6 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | K148 S176 | K148-V178 CarbonylContact O-C 3.58Å; K148-V178 WeakPolarHBondContact O-CA 3.48Å; S176-V178 WeakPolarHBondContact CB-O 3.29Å; S176-V178 PolarHBondContact O-N 3.41Å; S176-V178 PolarHBondContact OG-N 3.25Å; S176-V178 VanDerWaalsContact OG-N 3.16Å; S176-V178 PolarHBondContact OG-O 2.85Å |
| 179 | S | 88.7 | Confident | 90.5 | Very high | 32 Ų | 32 | 38 Ų | 38 | 22% | 0.224 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -131.6 | 128.1 | 170.1 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | K148 V206 | K148-S179 WeakPolarHBondContact O-CB 3.34Å; K148-S179 PolarHBondContact O-N 2.89Å; S179-V206 PolarHBondContact OG-N 3.48Å |
| 180 | P | 89.1 | Confident | 90.4 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | S | Bend | cis | -74.6 | 165.5 | 2.9 | 32.7 | -37.1 | 0 | 0 | 0 | 113.8 | I203 Y204 | P180-I203 HydrophobicContact CB-CB 4.07Å; P180-I203 HydrophobicContact CB-CD1 4.45Å; P180-I203 HydrophobicContact CG-CB 4.45Å; P180-I203 HydrophobicContact CG-CD1 4.17Å; P180-Y204 CarbonylContact C-O 3.51Å; P180-Y204 WeakPolarHBondContact CA-O 3.37Å; P180-Y204 VanDerWaalsContact CB-O 3.22Å; P180-Y204 WeakPolarHBondContact CB-O 3.42Å |
| 181 | A | 88.6 | Confident | 90.5 | Very high | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -129.8 | 166.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I150 I203 Y204 | I150-A181 HydrophobicContact CD1-CB 4.06Å; A181-I203 WeakPolarHBondContact O-CA 3.49Å; A181-Y204 HydrophobicContact CB-CE2 3.81Å; A181-Y204 PolarHBondContact N-O 3.16Å; A181-Y204 WeakPolarHBondContact O-CD1 3.28Å; A181-Y204 PolarHBondContact O-N 2.74Å |
| 182 | N | 87.1 | Confident | 90.7 | Very high | 105 Ų | 105 | 36.5 Ų | 36.5 | 56% | 0.561 | 22% | 0.217 | S | C | * | . | trans | -132.4 | -14.1 | -174.4 | 62.3 | -7.1 | 0 | 0 | 0 | 114.8 | G202 | N182-G202 WeakPolarHBondContact CB-O 3.37Š| ||
| 183 | S | 85.2 | Confident | 90.7 | Very high | 47 Ų | 47 | 36.5 Ų | 36.5 | 33% | 0.329 | 22% | 0.217 | S | C | . | . | trans | -72.9 | 132.6 | -174.5 | 66 | 0 | 0 | 0 | 0 | 112.1 | R152 V185 Y204 | R152-S183 PolarHBondContact NH1-OG 3.39Å; S183-V185 PolarHBondContact O-N 2.65Å; S183-Y204 PolarHBondContact O-OH 3.36Å | ||
| 184 | F | 88 | Confident | 90.9 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 37% | 0.373 | 22% | 0.216 | S | C | . | . | trans | -76.1 | 100.9 | 177.2 | -173.8 | -95.9 | 0 | 0 | 0 | 111.7 | I191 V195 I196 M199 L237 | F184-I191 HydrophobicContact CE2-CD1 4.5Å; F184-I191 HydrophobicContact CZ-CD1 4.16Å; F184-V195 HydrophobicContact CD2-CG1 4.08Å; F184-V195 WeakPolarHBondContact CD2-O 3.43Å; F184-V195 HydrophobicContact CE2-CG1 4.49Å; F184-I196 HydrophobicContact CE2-CG1 4.43Å; F184-M199 HydrophobicContact CD2-CG 3.79Å; F184-M199 HydrophobicContact CD2-SD 4.22Å; F184-M199 HydrophobicContact CE2-CG 4.22Å; F184-M199 HydrophobicContact CE2-SD 4.15Å; F184-M199 HydrophobicContact CG-CG 4.41Å; F184-L237 HydrophobicContact CE1-CD1 4.48Å; F184-L237 HydrophobicContact CZ-CD1 3.85Å; F184-L237 HydrophobicContact CZ-CD2 4.04Å | ||
| 185 | V | 87.8 | Confident | 91 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 29% | 0.291 | 21% | 0.209 | S | C | . | . | trans | -142 | 170.5 | -178.1 | -60 | 0 | 0 | 0 | 0 | 111.6 | R152 S183 I191 | R152-V185 HydrophobicContact CB-CG2 3.99Å; R152-V185 VanDerWaalsContact CZ-CG2 3.47Å; S183-V185 PolarHBondContact O-N 2.65Å; V185-I191 WeakPolarHBondContact O-CD1 3.37Å | ||
| 186 | G | 88.2 | Confident | 90.7 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 107.7 | 171 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R152 | R152-G186 WeakPolarHBondContact O-CA 3.34Š|
| 187 | T | 90.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 23% | 0.233 | 24% | 0.241 | C | C | . | . | trans | -83.2 | 119.6 | 179.2 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | D153 K155 F189 W190 | D153-T187 WeakPolarHBondContact OD1-CB 3.22Å; D153-T187 PolarHBondContact OD1-N 2.93Å; D153-T187 PolarHBondContact OD1-OG1 3.28Å; K155-T187 HydrophobicContact CD-CG2 4.46Å; K155-T187 PolarHBondContact NZ-OG1 3.49Å; T187-F189 VanDerWaalsContact C-N 3.29Å; T187-F189 PolarHBondContact O-N 3.46Å; T187-W190 HydrophobicContact CG2-CE3 3.57Å; T187-W190 HydrophobicContact CG2-CH2 4.49Å; T187-W190 HydrophobicContact CG2-CZ3 3.37Å; T187-W190 PolarHBondContact O-N 3.25Å | ||
| 188 | P | 92.2 | Very high | 89 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 25% | 0.247 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -20.1 | -161.4 | -35.4 | 38.4 | 0 | 0 | 0 | 120.6 | P233 L237 I240 | P188-P233 HydrophobicContact CB-CB 3.92Å; P188-P233 HydrophobicContact CG-CB 4.05Å; P188-L237 HydrophobicContact CB-CD1 4.24Å; P188-L237 HydrophobicContact CB-CD2 4.06Å; P188-L237 HydrophobicContact CB-CG 4.01Å; P188-L237 WeakPolarHBondContact O-CD2 3.46Å; P188-I240 WeakPolarHBondContact O-CD1 3.18Å |
| 189 | F | 94.2 | Very high | 87.5 | Confident | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -21.1 | 178.8 | -54.8 | -87.2 | 0 | 0 | 0 | 113 | T187 P225 F228 P233 A236 | T187-F189 VanDerWaalsContact C-N 3.29Å; T187-F189 PolarHBondContact O-N 3.46Å; F189-P225 HydrophobicContact CB-CB 4.14Å; F189-P225 HydrophobicContact CB-CG 3.89Å; F189-P225 HydrophobicContact CG-CG 4.33Å; F189-F228 HydrophobicContact CD2-CD2 4.1Å; F189-F228 AromaticContact CE2-CD2 3.91Å; F189-F228 HydrophobicContact CE2-CD2 3.91Å; F189-F228 HydrophobicContact CE2-CE2 4.33Å; F189-F228 HydrophobicContact CG-CD2 4.48Å; F189-F228 HydrophobicContact CZ-CD2 4.12Å; F189-P233 HydrophobicContact CE2-CG 4.37Å; F189-P233 HydrophobicContact CZ-CG 4.25Å; F189-A236 HydrophobicContact CD1-CB 3.58Å; F189-A236 HydrophobicContact CE1-CB 3.51Å; F189-A236 HydrophobicContact CZ-CB 4.47Å |
| 190 | W | 96.9 | Very high | 85.8 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -11.5 | 179.6 | -61.9 | -107.3 | 0 | 0 | 0 | 112.9 | I154 K155 T187 A192 W211 S212 I215 E219 P225 | I154-W190 VanDerWaalsContact O-CD1 3.24Å; K155-W190 HydrophobicContact CB-CD2 3.81Å; K155-W190 VanDerWaalsContact CB-CE2 3.44Å; K155-W190 HydrophobicContact CB-CE3 4.48Å; K155-W190 HydrophobicContact CB-CG 4.03Å; K155-W190 HydrophobicContact CB-CZ2 3.87Å; T187-W190 HydrophobicContact CG2-CE3 3.57Å; T187-W190 HydrophobicContact CG2-CH2 4.49Å; T187-W190 HydrophobicContact CG2-CZ3 3.37Å; T187-W190 PolarHBondContact O-N 3.25Å; W190-A192 PolarHBondContact O-N 2.88Å; W190-W211 VanDerWaalsContact O-CD1 3.29Å; W190-S212 PolarHBondContact O-OG 3.35Å; W190-I215 HydrophobicContact CB-CB 4.49Å; W190-I215 HydrophobicContact CB-CG2 4.37Å; W190-I215 VanDerWaalsContact CD1-CG2 3.49Å; W190-I215 HydrophobicContact CD2-CG2 4.41Å; W190-I215 HydrophobicContact CG-CB 4.28Å; W190-I215 HydrophobicContact CG-CG2 3.83Å; W190-E219 VanDerWaalsContact CZ2-CD 3.49Å; W190-E219 HydrophobicContact CZ2-CG 4.43Å; W190-E219 WeakPolarHBondContact CZ2-OE1 3.32Å; W190-E219 WeakPolarHBondContact CZ2-OE2 3.44Å; W190-E219 PolarHBondContact NE1-OE2 2.83Å; W190-P225 HydrophobicContact CH2-CB 4.39Å; W190-P225 HydrophobicContact CH2-CG 3.62Å; W190-P225 HydrophobicContact CZ2-CB 3.91Å; W190-P225 HydrophobicContact CZ2-CG 3.57Å; W190-P225 HydrophobicContact CZ3-CG 4.19Å |
| 191 | I | 94.6 | Very high | 84.1 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | trans | -60.2 | 132.4 | -178.6 | -64.2 | -174.2 | 0 | 0 | 0 | 111 | F184 V185 V195 I196 W211 L237 | F184-I191 HydrophobicContact CE2-CD1 4.5Å; F184-I191 HydrophobicContact CZ-CD1 4.16Å; V185-I191 WeakPolarHBondContact O-CD1 3.37Å; I191-V195 HydrophobicContact CG2-CB 3.62Å; I191-V195 HydrophobicContact CG2-CG1 3.8Å; I191-V195 HydrophobicContact CG2-CG2 4.33Å; I191-I196 HydrophobicContact CG2-CD1 4.24Å; I191-I196 HydrophobicContact CG2-CG1 3.7Å; I191-W211 PolarHBondContact O-NE1 3.43Å; I191-L237 HydrophobicContact CB-CD2 4.29Å; I191-L237 HydrophobicContact CD1-CD2 4.12Å | ||
| 192 | A | 95 | Very high | 82.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | trans | -70.3 | 144.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W190 E194 V195 V208 W211 | W190-A192 PolarHBondContact O-N 2.88Å; A192-E194 VanDerWaalsContact C-N 3.26Å; A192-E194 WeakPolarHBondContact CB-OE1 2.87Å; A192-E194 WeakPolarHBondContact CB-OE2 3.24Å; A192-E194 PolarHBondContact O-N 3.45Å; A192-V195 HydrophobicContact CB-CG2 4.28Å; A192-V195 WeakPolarHBondContact O-CB 3.14Å; A192-V195 PolarHBondContact O-N 3.31Å; A192-V208 HydrophobicContact CB-CB 3.99Å; A192-V208 HydrophobicContact CB-CG1 4.03Å; A192-W211 VanDerWaalsContact CA-CD1 3.4Å; A192-W211 HydrophobicContact CB-CB 3.8Å; A192-W211 HydrophobicContact CB-CD2 4.41Å; A192-W211 HydrophobicContact CB-CG 3.72Å | ||
| 193 | P | 93.2 | Very high | 82.7 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.5 | -35.1 | -171.7 | 23.6 | -34.2 | 0 | 0 | 0 | 112.9 | V195 I196 L197 W211 I240 K267 | P193-V195 VanDerWaalsContact C-N 3.31Å; P193-V195 PolarHBondContact O-N 2.92Å; P193-I196 PolarHBondContact O-N 3.45Å; P193-I196 VanDerWaalsContact O-N 3.11Å; P193-L197 VanDerWaalsContact O-CG 3.31Å; P193-L197 WeakPolarHBondContact O-CG 3.43Å; P193-L197 PolarHBondContact O-N 3.25Å; P193-W211 HydrophobicContact CG-CE3 4.27Å; P193-W211 HydrophobicContact CG-CH2 4.11Å; P193-W211 HydrophobicContact CG-CZ2 4.4Å; P193-W211 HydrophobicContact CG-CZ3 4.04Å; P193-I240 HydrophobicContact CB-CG2 4.26Å; P193-K267 HydrophobicContact CG-CB 4.45Å; P193-K267 HydrophobicContact CG-CG 4.43Å |
| 194 | E | 91.8 | Very high | 83 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -33.4 | 176.2 | 67 | -82.9 | -163.9 | 0 | 0 | 112.9 | A192 I196 L197 A198 V208 M269 R272 | A192-E194 VanDerWaalsContact C-N 3.26Å; A192-E194 WeakPolarHBondContact CB-OE1 2.87Å; A192-E194 WeakPolarHBondContact CB-OE2 3.24Å; A192-E194 PolarHBondContact O-N 3.45Å; E194-I196 VanDerWaalsContact C-N 3.26Å; E194-I196 PolarHBondContact O-N 2.86Å; E194-L197 PolarHBondContact O-N 3.14Å; E194-A198 WeakPolarHBondContact O-CA 3.3Å; E194-A198 WeakPolarHBondContact O-CB 3.1Å; E194-A198 PolarHBondContact O-N 3.17Å; E194-V208 HydrophobicContact CG-CG1 4.26Å; E194-V208 WeakPolarHBondContact OE1-CG1 3.3Å; E194-M269 HydrophobicContact CG-SD 4.34Å; E194-R272 IonicContact OE1-CZ 2.69Å; E194-R272 IonicContact OE1-NH1 3.68Å; E194-R272 PolarHBondContact OE1-NH1 3.02Å; E194-R272 IonicContact OE1-NH2 3.01Å; E194-R272 PolarHBondContact OE1-NH2 3.33Å; E194-R272 IonicContact OE2-CZ 2.69Å; E194-R272 IonicContact OE2-NH1 3.42Å; E194-R272 IonicContact OE2-NH2 2.66Å; E194-R272 PolarHBondContact OE2-NH2 3.45Å |
| 195 | V | 91.2 | Very high | 83.2 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -31.7 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 111 | F184 I191 A192 P193 Y204 V208 | F184-V195 HydrophobicContact CD2-CG1 4.08Å; F184-V195 WeakPolarHBondContact CD2-O 3.43Å; F184-V195 HydrophobicContact CE2-CG1 4.49Å; I191-V195 HydrophobicContact CG2-CB 3.62Å; I191-V195 HydrophobicContact CG2-CG1 3.8Å; I191-V195 HydrophobicContact CG2-CG2 4.33Å; A192-V195 HydrophobicContact CB-CG2 4.28Å; A192-V195 WeakPolarHBondContact O-CB 3.14Å; A192-V195 PolarHBondContact O-N 3.31Å; P193-V195 VanDerWaalsContact C-N 3.31Å; P193-V195 PolarHBondContact O-N 2.92Å; V195-Y204 HydrophobicContact CB-CD1 4.3Å; V195-Y204 HydrophobicContact CB-CE1 4.43Å; V195-Y204 HydrophobicContact CG1-CD1 4.32Å; V195-Y204 HydrophobicContact CG1-CE1 3.96Å; V195-Y204 HydrophobicContact CG2-CD1 3.81Å; V195-Y204 HydrophobicContact CG2-CD2 4.21Å; V195-Y204 HydrophobicContact CG2-CE1 4.08Å; V195-Y204 HydrophobicContact CG2-CE2 4.47Å; V195-Y204 HydrophobicContact CG2-CG 3.88Å; V195-V208 HydrophobicContact CG2-CB 4.21Å; V195-V208 HydrophobicContact CG2-CG1 3.51Å |
| 196 | I | 88.6 | Confident | 83.6 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -80.6 | -37.6 | 178.9 | -45.3 | 176.6 | 0 | 0 | 0 | 111 | F184 I191 P193 E194 M199 L237 I240 A241 | F184-I196 HydrophobicContact CE2-CG1 4.43Å; I191-I196 HydrophobicContact CG2-CD1 4.24Å; I191-I196 HydrophobicContact CG2-CG1 3.7Å; P193-I196 PolarHBondContact O-N 3.45Å; P193-I196 VanDerWaalsContact O-N 3.11Å; E194-I196 VanDerWaalsContact C-N 3.26Å; E194-I196 PolarHBondContact O-N 2.86Å; I196-M199 WeakPolarHBondContact O-CG 3.48Å; I196-L237 HydrophobicContact CD1-CB 4.23Å; I196-L237 HydrophobicContact CD1-CD2 3.6Å; I196-L237 WeakPolarHBondContact CD1-O 3.23Å; I196-L237 HydrophobicContact CG1-CD2 3.94Å; I196-L237 HydrophobicContact CG2-CB 4.31Å; I196-I240 HydrophobicContact CD1-CB 3.8Å; I196-I240 HydrophobicContact CD1-CD1 4.49Å; I196-I240 HydrophobicContact CD1-CG2 3.65Å; I196-A241 HydrophobicContact CB-CB 4.42Å; I196-A241 HydrophobicContact CG2-CB 4.1Å |
| 197 | L | 81.4 | Confident | 84 | Confident | 129 Ų | 129 | 46.6 Ų | 46.6 | 68% | 0.675 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -76.8 | -25.1 | 177.1 | -65.7 | 169.4 | 0 | 0 | 0 | 112.3 | P193 E194 M199 A241 | P193-L197 VanDerWaalsContact O-CG 3.31Å; P193-L197 WeakPolarHBondContact O-CG 3.43Å; P193-L197 PolarHBondContact O-N 3.25Å; E194-L197 PolarHBondContact O-N 3.14Å; L197-M199 VanDerWaalsContact C-N 3.31Å; L197-M199 PolarHBondContact O-N 3.3Å; L197-A241 HydrophobicContact CD2-CB 4.26Å |
| 198 | A | 67.5 | Low | 84.3 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E194 E200 Q201 G202 | E194-A198 WeakPolarHBondContact O-CA 3.3Å; E194-A198 WeakPolarHBondContact O-CB 3.1Å; E194-A198 PolarHBondContact O-N 3.17Å; A198-E200 PolarHBondContact O-N 2.95Å; A198-Q201 PolarHBondContact O-N 3.09Å; A198-G202 PolarHBondContact O-N 3.28Å |
| 199 | M | 58.8 | Low | 84.6 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 42% | 0.424 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 118.4 | -167.5 | -74.4 | -179 | 72.2 | 0 | 0 | 112.9 | F184 I196 L197 Q201 | F184-M199 HydrophobicContact CD2-CG 3.79Å; F184-M199 HydrophobicContact CD2-SD 4.22Å; F184-M199 HydrophobicContact CE2-CG 4.22Å; F184-M199 HydrophobicContact CE2-SD 4.15Å; F184-M199 HydrophobicContact CG-CG 4.41Å; I196-M199 WeakPolarHBondContact O-CG 3.48Å; L197-M199 VanDerWaalsContact C-N 3.31Å; L197-M199 PolarHBondContact O-N 3.3Å; M199-Q201 PolarHBondContact O-N 3.41Å |
| 200 | E | 52.5 | Low | 84.8 | Confident | 183 Ų | 183 | 42.1 Ų | 42.1 | 86% | 0.855 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -17.4 | -178.7 | -58.5 | 175.4 | -169.6 | 0 | 0 | 118.4 | A198 | A198-E200 PolarHBondContact O-N 2.95Š|
| 201 | Q | 53.2 | Low | 84.9 | Confident | 190 Ų | 190 | 41.3 Ų | 41.3 | 89% | 0.888 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -137.9 | -21.6 | -177.3 | -65.8 | -170 | 1 | 0 | 0 | 116.9 | A198 M199 | A198-Q201 PolarHBondContact O-N 3.09Å; M199-Q201 PolarHBondContact O-N 3.41Å |
| 202 | G | 63.7 | Low | 85 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 25% | 0.247 | 21% | 0.21 | C | C | . | . | trans | -80.9 | 160.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | N182 A198 | N182-G202 WeakPolarHBondContact CB-O 3.37Å; A198-G202 PolarHBondContact O-N 3.28Å | ||
| 203 | I | 83.3 | Confident | 85.2 | Confident | 117 Ų | 117 | 41.1 Ų | 41.1 | 60% | 0.6 | 21% | 0.21 | S | C | * | . | trans | -117.3 | 143.1 | 173.1 | 52.5 | 167.3 | 0 | 0 | 0 | 109.8 | P180 A181 | P180-I203 HydrophobicContact CB-CB 4.07Å; P180-I203 HydrophobicContact CB-CD1 4.45Å; P180-I203 HydrophobicContact CG-CB 4.45Å; P180-I203 HydrophobicContact CG-CD1 4.17Å; A181-I203 WeakPolarHBondContact O-CA 3.49Å | ||
| 204 | Y | 90.3 | Very high | 85.4 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -130.9 | 153.9 | 174.8 | 59.5 | -100.6 | 0 | 0 | 0 | 109.7 | I150 R152 P180 A181 S183 V195 V208 | I150-Y204 HydrophobicContact CD1-CD2 4.34Å; I150-Y204 HydrophobicContact CD1-CE2 4.2Å; R152-Y204 VanDerWaalsContact CD-OH 3.24Å; R152-Y204 WeakPolarHBondContact CD-OH 3.42Å; R152-Y204 HydrophobicContact CG-CE2 4.38Å; R152-Y204 PolarHBondContact NH1-OH 2.93Å; P180-Y204 CarbonylContact C-O 3.51Å; P180-Y204 WeakPolarHBondContact CA-O 3.37Å; P180-Y204 VanDerWaalsContact CB-O 3.22Å; P180-Y204 WeakPolarHBondContact CB-O 3.42Å; A181-Y204 HydrophobicContact CB-CE2 3.81Å; A181-Y204 PolarHBondContact N-O 3.16Å; A181-Y204 WeakPolarHBondContact O-CD1 3.28Å; A181-Y204 PolarHBondContact O-N 2.74Å; S183-Y204 PolarHBondContact O-OH 3.36Å; V195-Y204 HydrophobicContact CB-CD1 4.3Å; V195-Y204 HydrophobicContact CB-CE1 4.43Å; V195-Y204 HydrophobicContact CG1-CD1 4.32Å; V195-Y204 HydrophobicContact CG1-CE1 3.96Å; V195-Y204 HydrophobicContact CG2-CD1 3.81Å; V195-Y204 HydrophobicContact CG2-CD2 4.21Å; V195-Y204 HydrophobicContact CG2-CE1 4.08Å; V195-Y204 HydrophobicContact CG2-CE2 4.47Å; V195-Y204 HydrophobicContact CG2-CG 3.88Å; Y204-V208 HydrophobicContact CD2-CB 4.48Å; Y204-V208 HydrophobicContact CD2-CG1 3.54Å; Y204-V208 HydrophobicContact CD2-CG2 4.14Å; Y204-V208 HydrophobicContact CE2-CG1 4.38Å; Y204-V208 HydrophobicContact CE2-CG2 4.35Å; Y204-V208 HydrophobicContact CG-CG1 3.87Å |
| 205 | D | 93.1 | Very high | 85.7 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | trans | -111.1 | -171.2 | -179.6 | 71.1 | 42 | 0 | 0 | 0 | 113 | R207 V208 | D205-R207 PolarHBondContact O-N 2.75Å; D205-R207 VanDerWaalsContact OD1-CB 3.25Å; D205-R207 WeakPolarHBondContact OD1-CB 3.49Å; D205-R207 WeakPolarHBondContact OD1-CG 3.39Å; D205-R207 IonicContact OD1-CZ 2.67Å; D205-R207 PolarHBondContact OD1-N 2.92Å; D205-R207 IonicContact OD1-NE 2.79Å; D205-R207 PolarHBondContact OD1-NE 3.06Å; D205-R207 IonicContact OD2-CZ 2.69Å; D205-R207 IonicContact OD2-NE 3.85Å; D205-R207 PolarHBondContact OD2-NE 3.18Å; D205-R207 VanDerWaalsContact OD2-NE 3.15Å; D205-R207 IonicContact OD2-NH2 2.7Å; D205-R207 PolarHBondContact OD2-NH2 2.89Å; D205-V208 WeakPolarHBondContact O-CG2 3.45Å; D205-V208 PolarHBondContact O-N 3.32Å | ||
| 206 | V | 96 | Very high | 86.1 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45 | -29.1 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 115.3 | H145 I150 S179 V208 D209 F274 | H145-V206 HydrophobicContact CB-CB 4Å; H145-V206 HydrophobicContact CB-CG1 3.86Å; H145-V206 HydrophobicContact CB-CG2 4.35Å; H145-V206 PolarHBondContact CE1-O 3.3Å; H145-V206 PolarHBondContact NE2-O 2.69Å; I150-V206 HydrophobicContact CG1-CG1 4.19Å; S179-V206 PolarHBondContact OG-N 3.48Å; V206-V208 PolarHBondContact O-N 3.34Å; V206-D209 PolarHBondContact O-N 3.36Å; V206-D209 VanDerWaalsContact O-N 3.13Å; V206-F274 HydrophobicContact CG2-CD1 4.02Å; V206-F274 HydrophobicContact CG2-CE1 3.89Å |
| 207 | R | 96.8 | Very high | 86.5 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.3 | -175.8 | -68.3 | 175 | -75.8 | -177.3 | -1.2 | 114.2 | D205 D209 V210 W211 M269 R272 F274 | D205-R207 PolarHBondContact O-N 2.75Å; D205-R207 VanDerWaalsContact OD1-CB 3.25Å; D205-R207 WeakPolarHBondContact OD1-CB 3.49Å; D205-R207 WeakPolarHBondContact OD1-CG 3.39Å; D205-R207 IonicContact OD1-CZ 2.67Å; D205-R207 PolarHBondContact OD1-N 2.92Å; D205-R207 IonicContact OD1-NE 2.79Å; D205-R207 PolarHBondContact OD1-NE 3.06Å; D205-R207 IonicContact OD2-CZ 2.69Å; D205-R207 IonicContact OD2-NE 3.85Å; D205-R207 PolarHBondContact OD2-NE 3.18Å; D205-R207 VanDerWaalsContact OD2-NE 3.15Å; D205-R207 IonicContact OD2-NH2 2.7Å; D205-R207 PolarHBondContact OD2-NH2 2.89Å; R207-D209 PolarHBondContact O-N 2.68Å; R207-V210 PolarHBondContact O-N 3.25Å; R207-W211 PolarHBondContact O-N 3.45Å; R207-M269 HydrophobicContact CB-CG 4.3Å; R207-M269 VanDerWaalsContact CZ-O 3.26Å; R207-M269 PolarHBondContact NH1-O 2.72Å; R207-R272 VanDerWaalsContact CD-O 3.26Å; R207-R272 WeakPolarHBondContact CD-O 3.26Å; R207-R272 WeakPolarHBondContact O-CD 3.45Å; R207-R272 PolarHBondContact O-NH1 2.85Å; R207-F274 HydrophobicContact CG-CD1 4.05Å; R207-F274 HydrophobicContact CG-CE1 3.98Å |
| 208 | V | 96.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -31.5 | 169.8 | -59 | 0 | 0 | 0 | 0 | 112.6 | I150 R152 A192 E194 V195 Y204 D205 V206 V210 S212 | I150-V208 HydrophobicContact CG2-CG2 3.41Å; I150-V208 VanDerWaalsContact CG2-CG2 3.41Å; R152-V208 HydrophobicContact CG-CG2 4.25Å; A192-V208 HydrophobicContact CB-CB 3.99Å; A192-V208 HydrophobicContact CB-CG1 4.03Å; E194-V208 HydrophobicContact CG-CG1 4.26Å; E194-V208 WeakPolarHBondContact OE1-CG1 3.3Å; V195-V208 HydrophobicContact CG2-CB 4.21Å; V195-V208 HydrophobicContact CG2-CG1 3.51Å; Y204-V208 HydrophobicContact CD2-CB 4.48Å; Y204-V208 HydrophobicContact CD2-CG1 3.54Å; Y204-V208 HydrophobicContact CD2-CG2 4.14Å; Y204-V208 HydrophobicContact CE2-CG1 4.38Å; Y204-V208 HydrophobicContact CE2-CG2 4.35Å; Y204-V208 HydrophobicContact CG-CG1 3.87Å; D205-V208 WeakPolarHBondContact O-CG2 3.45Å; D205-V208 PolarHBondContact O-N 3.32Å; V206-V208 PolarHBondContact O-N 3.34Å; V208-V210 VanDerWaalsContact C-N 3.33Å; V208-S212 PolarHBondContact O-N 2.92Å; V208-S212 VanDerWaalsContact O-N 3.08Å; V208-S212 PolarHBondContact O-OG 3.02Å |
| 209 | D | 98.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.8 | -32.1 | 177.2 | -66 | -29.5 | 0 | 0 | 0 | 111.3 | L141 H145 I150 H151 R152 I154 V206 R207 S212 L213 | L141-D209 HydrophobicContact CD1-CB 4.01Å; L141-D209 HydrophobicContact CD2-CB 3.75Å; L141-D209 HydrophobicContact CG-CB 4.49Å; H145-D209 IonicContact CD2-OD2 3.52Å; H145-D209 IonicContact CE1-OD2 3.22Å; H145-D209 IonicContact NE2-OD2 2.64Å; H145-D209 PolarHBondContact NE2-OD2 3.35Å; I150-D209 WeakPolarHBondContact CG2-OD2 3.41Å; H151-D209 PolarHBondContact N-OD1 2.98Å; H151-D209 PolarHBondContact N-OD2 3.4Å; R152-D209 PolarHBondContact N-OD1 2.76Å; I154-D209 HydrophobicContact CG1-CB 4.34Å; V206-D209 PolarHBondContact O-N 3.36Å; V206-D209 VanDerWaalsContact O-N 3.13Å; R207-D209 PolarHBondContact O-N 2.68Å; D209-S212 WeakPolarHBondContact O-CB 3.23Å; D209-S212 PolarHBondContact O-N 2.83Å; D209-L213 WeakPolarHBondContact O-CB 3.5Å; D209-L213 PolarHBondContact O-N 3.47Å |
| 210 | V | 98.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 177.4 | 178 | 0 | 0 | 0 | 0 | 111.4 | R207 V208 G214 V264 R272 P273 | R207-V210 PolarHBondContact O-N 3.25Å; V208-V210 VanDerWaalsContact C-N 3.33Å; V210-G214 PolarHBondContact O-N 2.88Å; V210-V264 HydrophobicContact CG1-CB 3.75Å; V210-V264 HydrophobicContact CG1-CG1 3.84Å; V210-R272 HydrophobicContact CG1-CG 4.12Å; V210-P273 HydrophobicContact CG1-CG 4.35Å |
| 211 | W | 98.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 20 Ų | 20 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 170.5 | 173.1 | -78.2 | 0 | 0 | 0 | 111.2 | W190 I191 A192 P193 R207 L213 G214 I215 I240 A245 L265 K267 | W190-W211 VanDerWaalsContact O-CD1 3.29Å; I191-W211 PolarHBondContact O-NE1 3.43Å; A192-W211 VanDerWaalsContact CA-CD1 3.4Å; A192-W211 HydrophobicContact CB-CB 3.8Å; A192-W211 HydrophobicContact CB-CD2 4.41Å; A192-W211 HydrophobicContact CB-CG 3.72Å; P193-W211 HydrophobicContact CG-CE3 4.27Å; P193-W211 HydrophobicContact CG-CH2 4.11Å; P193-W211 HydrophobicContact CG-CZ2 4.4Å; P193-W211 HydrophobicContact CG-CZ3 4.04Å; R207-W211 PolarHBondContact O-N 3.45Å; W211-L213 VanDerWaalsContact C-N 3.27Å; W211-L213 PolarHBondContact O-N 2.76Å; W211-G214 WeakPolarHBondContact O-CA 3.45Å; W211-G214 PolarHBondContact O-N 2.85Å; W211-I215 HydrophobicContact CZ2-CD1 4.4Å; W211-I215 PolarHBondContact O-N 3.47Å; W211-I240 HydrophobicContact CZ2-CG2 4Å; W211-A245 HydrophobicContact CH2-CB 4.09Å; W211-A245 HydrophobicContact CZ3-CB 4.23Å; W211-L265 HydrophobicContact CD2-CD2 3.67Å; W211-L265 HydrophobicContact CE3-CB 4.32Å; W211-L265 HydrophobicContact CE3-CD2 3.85Å; W211-L265 HydrophobicContact CG-CD2 4.03Å; W211-L265 HydrophobicContact CZ2-CD2 4.36Å; W211-L265 HydrophobicContact CZ3-CB 4.21Å; W211-L265 HydrophobicContact CZ3-CD2 4.27Å; W211-L265 WeakPolarHBondContact CZ3-O 2.79Å; W211-L265 WeakPolarHBondContact O-CD2 3.34Å; W211-K267 HydrophobicContact CH2-CG 4.07Å; W211-K267 HydrophobicContact CZ3-CG 3.98Å |
| 212 | S | 98.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 179.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | W190 V208 D209 I215 T216 | W190-S212 PolarHBondContact O-OG 3.35Å; V208-S212 PolarHBondContact O-N 2.92Å; V208-S212 VanDerWaalsContact O-N 3.08Å; V208-S212 PolarHBondContact O-OG 3.02Å; D209-S212 WeakPolarHBondContact O-CB 3.23Å; D209-S212 PolarHBondContact O-N 2.83Å; S212-I215 PolarHBondContact O-N 3.22Å; S212-T216 PolarHBondContact O-N 3Å; S212-T216 PolarHBondContact O-OG1 3.28Å |
| 213 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 170.9 | 177.1 | 61.6 | 0 | 0 | 0 | 112.4 | V134 V137 L138 L141 I154 D209 W211 I215 T216 C217 | V134-L213 HydrophobicContact CG1-CD2 4.43Å; V134-L213 HydrophobicContact CG2-CD1 4.39Å; V137-L213 HydrophobicContact CB-CD1 4.4Å; V137-L213 HydrophobicContact CG1-CD1 3.88Å; L138-L213 HydrophobicContact CD2-CD2 3.43Å; L138-L213 VanDerWaalsContact CD2-CD2 3.43Å; L138-L213 HydrophobicContact CG-CD2 3.66Å; L141-L213 HydrophobicContact CD1-CD2 4.34Å; I154-L213 HydrophobicContact CG2-CB 4.35Å; D209-L213 WeakPolarHBondContact O-CB 3.5Å; D209-L213 PolarHBondContact O-N 3.47Å; W211-L213 VanDerWaalsContact C-N 3.27Å; W211-L213 PolarHBondContact O-N 2.76Å; L213-I215 VanDerWaalsContact C-N 3.34Å; L213-I215 PolarHBondContact O-N 3.48Å; L213-T216 CarbonylContact O-C 3.55Å; L213-T216 WeakPolarHBondContact O-CA 3.35Å; L213-T216 WeakPolarHBondContact O-CB 3.37Å; L213-T216 PolarHBondContact O-N 3.08Å; L213-C217 PolarHBondContact O-N 2.9Å; L213-C217 PolarHBondContact O-SG 3.3Å |
| 214 | G | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V210 W211 T216 C217 I218 V264 | V210-G214 PolarHBondContact O-N 2.88Å; W211-G214 WeakPolarHBondContact O-CA 3.45Å; W211-G214 PolarHBondContact O-N 2.85Å; G214-T216 VanDerWaalsContact C-N 3.32Å; G214-C217 WeakPolarHBondContact O-CB 3.39Å; G214-C217 PolarHBondContact O-N 3.4Å; G214-I218 PolarHBondContact O-N 2.8Å; G214-V264 VanDerWaalsContact CA-CG2 3.41Å |
| 215 | I | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 172.1 | -59.2 | -58.6 | 0 | 0 | 0 | 110.9 | W190 W211 S212 L213 C217 I218 E219 P225 P226 P246 L265 | W190-I215 HydrophobicContact CB-CB 4.49Å; W190-I215 HydrophobicContact CB-CG2 4.37Å; W190-I215 VanDerWaalsContact CD1-CG2 3.49Å; W190-I215 HydrophobicContact CD2-CG2 4.41Å; W190-I215 HydrophobicContact CG-CB 4.28Å; W190-I215 HydrophobicContact CG-CG2 3.83Å; W211-I215 HydrophobicContact CZ2-CD1 4.4Å; W211-I215 PolarHBondContact O-N 3.47Å; S212-I215 PolarHBondContact O-N 3.22Å; L213-I215 VanDerWaalsContact C-N 3.34Å; L213-I215 PolarHBondContact O-N 3.48Å; I215-C217 VanDerWaalsContact C-N 3.29Å; I215-C217 PolarHBondContact O-N 3.49Å; I215-I218 WeakPolarHBondContact O-CB 3.39Å; I215-I218 PolarHBondContact O-N 2.9Å; I215-I218 VanDerWaalsContact O-N 3.15Å; I215-E219 PolarHBondContact O-N 3.12Å; I215-P225 HydrophobicContact CG2-CB 3.74Å; I215-P226 HydrophobicContact CD1-CG 4.32Å; I215-P246 HydrophobicContact CD1-CG 3.58Å; I215-L265 HydrophobicContact CD1-CD1 4.25Å; I215-L265 HydrophobicContact CD1-CD2 3.78Å; I215-L265 HydrophobicContact CG1-CD2 4.02Å |
| 216 | T | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.3 | -29.6 | 175.9 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | I154 K155 A156 I159 S212 L213 G214 E219 M220 | I154-T216 PolarHBondContact O-OG1 3.47Å; K155-T216 WeakPolarHBondContact CA-OG1 3.38Å; A156-T216 HydrophobicContact CB-CG2 4.17Å; I159-T216 HydrophobicContact CD1-CG2 3.63Å; S212-T216 PolarHBondContact O-N 3Å; S212-T216 PolarHBondContact O-OG1 3.28Å; L213-T216 CarbonylContact O-C 3.55Å; L213-T216 WeakPolarHBondContact O-CA 3.35Å; L213-T216 WeakPolarHBondContact O-CB 3.37Å; L213-T216 PolarHBondContact O-N 3.08Å; G214-T216 VanDerWaalsContact C-N 3.32Å; T216-E219 WeakPolarHBondContact O-CB 3.44Å; T216-E219 PolarHBondContact O-N 3.05Å; T216-M220 HydrophobicContact CG2-CE 4.33Å; T216-M220 WeakPolarHBondContact O-CE 3.29Å; T216-M220 WeakPolarHBondContact O-CG 3.42Å; T216-M220 PolarHBondContact O-N 3.34Å |
| 217 | C | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 171.6 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | V134 L213 G214 I215 A221 F257 V261 | V134-C217 VanDerWaalsContact CG2-SG 3.57Å; L213-C217 PolarHBondContact O-N 2.9Å; L213-C217 PolarHBondContact O-SG 3.3Å; G214-C217 WeakPolarHBondContact O-CB 3.39Å; G214-C217 PolarHBondContact O-N 3.4Å; I215-C217 VanDerWaalsContact C-N 3.29Å; I215-C217 PolarHBondContact O-N 3.49Å; C217-A221 VanDerWaalsContact O-CB 3.3Å; C217-A221 WeakPolarHBondContact O-CB 3.41Å; C217-A221 PolarHBondContact O-N 3Å; C217-F257 HydrophobicContact CB-CE2 4.04Å; C217-F257 HydrophobicContact CB-CZ 4.29Å; C217-V261 HydrophobicContact CB-CG2 3.88Å |
| 218 | I | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 173.1 | -59.3 | 175.1 | 0 | 0 | 0 | 110.1 | G214 I215 M220 A221 E222 P226 P246 L248 V261 L265 | G214-I218 PolarHBondContact O-N 2.8Å; I215-I218 WeakPolarHBondContact O-CB 3.39Å; I215-I218 PolarHBondContact O-N 2.9Å; I215-I218 VanDerWaalsContact O-N 3.15Å; I218-M220 VanDerWaalsContact C-N 3.34Å; I218-M220 PolarHBondContact O-N 3.33Å; I218-A221 CarbonylContact O-C 3.53Å; I218-A221 PolarHBondContact O-N 3.25Å; I218-E222 HydrophobicContact CG2-CB 4.29Å; I218-E222 HydrophobicContact CG2-CG 4.18Å; I218-E222 WeakPolarHBondContact O-CB 3.47Å; I218-E222 PolarHBondContact O-N 3.02Å; I218-P226 HydrophobicContact CD1-CG 4Å; I218-P226 HydrophobicContact CG2-CG 4.14Å; I218-P246 HydrophobicContact CD1-CB 4.09Å; I218-P246 HydrophobicContact CD1-CG 4.28Å; I218-L248 HydrophobicContact CB-CD2 4.41Å; I218-L248 HydrophobicContact CG1-CD2 4.04Å; I218-L248 HydrophobicContact CG2-CD2 4.5Å; I218-V261 HydrophobicContact CD1-CG1 4.11Å; I218-V261 HydrophobicContact CG1-CG1 3.97Å; I218-L265 HydrophobicContact CD1-CD1 3.8Å |
| 219 | E | 97.1 | Very high | 94.3 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.5 | -43.5 | 175.9 | -177.9 | -175.8 | -171.4 | 0 | 0 | 112.7 | L118 A156 W190 I215 T216 A221 L223 | L118-E219 HydrophobicContact CD1-CG 4.49Å; A156-E219 HydrophobicContact CB-CG 4.03Å; A156-E219 VanDerWaalsContact CB-OE1 3.29Å; A156-E219 WeakPolarHBondContact CB-OE1 3.46Å; A156-E219 WeakPolarHBondContact CB-OE2 3.34Å; A156-E219 PolarHBondContact N-OE1 2.94Å; A156-E219 PolarHBondContact N-OE2 3.44Å; W190-E219 VanDerWaalsContact CZ2-CD 3.49Å; W190-E219 HydrophobicContact CZ2-CG 4.43Å; W190-E219 WeakPolarHBondContact CZ2-OE1 3.32Å; W190-E219 WeakPolarHBondContact CZ2-OE2 3.44Å; W190-E219 PolarHBondContact NE1-OE2 2.83Å; I215-E219 PolarHBondContact O-N 3.12Å; T216-E219 WeakPolarHBondContact O-CB 3.44Å; T216-E219 PolarHBondContact O-N 3.05Å; E219-A221 VanDerWaalsContact C-N 3.35Å; E219-L223 CarbonylContact O-C 3.58Å; E219-L223 VanDerWaalsContact O-CA 3.24Å; E219-L223 WeakPolarHBondContact O-CA 3.46Å; E219-L223 PolarHBondContact O-N 3.4Å |
| 220 | M | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.8 | -27.7 | 176.3 | -67.9 | -177.4 | -73.5 | 0 | 0 | 113.9 | V114 L118 P124 L125 I130 I133 V134 T216 I218 | V114-M220 HydrophobicContact CG1-CG 3.84Å; V114-M220 HydrophobicContact CG1-SD 3.79Å; L118-M220 HydrophobicContact CD1-CG 4.44Å; P124-M220 WeakPolarHBondContact CA-O 3.39Å; L125-M220 HydrophobicContact CD1-CB 4.49Å; L125-M220 HydrophobicContact CD1-CG 4.33Å; L125-M220 HydrophobicContact CD1-SD 4.11Å; L125-M220 PolarHBondContact N-O 3.15Å; I130-M220 HydrophobicContact CD1-CB 3.95Å; I130-M220 HydrophobicContact CG1-CB 3.87Å; I130-M220 HydrophobicContact CG1-SD 4.41Å; I130-M220 HydrophobicContact CG2-CE 3.94Å; I133-M220 HydrophobicContact CB-SD 4.36Å; I133-M220 HydrophobicContact CD1-SD 4.03Å; I133-M220 HydrophobicContact CG2-CE 4.34Å; I133-M220 HydrophobicContact CG2-SD 3.96Å; V134-M220 HydrophobicContact CG2-CE 4.07Å; T216-M220 HydrophobicContact CG2-CE 4.33Å; T216-M220 WeakPolarHBondContact O-CE 3.29Å; T216-M220 WeakPolarHBondContact O-CG 3.42Å; T216-M220 PolarHBondContact O-N 3.34Å; I218-M220 VanDerWaalsContact C-N 3.34Å; I218-M220 PolarHBondContact O-N 3.33Å |
| 221 | A | 96.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -90.5 | -26.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | P124 I130 C217 I218 E219 L248 W253 F257 | P124-A221 VanDerWaalsContact CB-O 3.31Å; P124-A221 WeakPolarHBondContact CB-O 3.42Å; P124-A221 WeakPolarHBondContact CG-O 3.3Å; I130-A221 HydrophobicContact CD1-CB 4.24Å; C217-A221 VanDerWaalsContact O-CB 3.3Å; C217-A221 WeakPolarHBondContact O-CB 3.41Å; C217-A221 PolarHBondContact O-N 3Å; I218-A221 CarbonylContact O-C 3.53Å; I218-A221 PolarHBondContact O-N 3.25Å; E219-A221 VanDerWaalsContact C-N 3.35Å; A221-L248 HydrophobicContact CB-CD2 3.56Å; A221-W253 HydrophobicContact CB-CH2 4.18Å; A221-W253 HydrophobicContact CB-CZ2 3.57Å; A221-W253 WeakPolarHBondContact O-CZ2 3.28Å; A221-F257 HydrophobicContact CB-CE1 4.08Å; A221-F257 HydrophobicContact CB-CZ 4.24Å |
| 222 | E | 94.4 | Very high | 89.5 | Confident | 62 Ų | 62 | 34 Ų | 34 | 29% | 0.29 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -127.6 | 10.3 | -171.2 | -55.7 | -166 | 160 | 0 | 0 | 113 | I218 E224 L248 V249 G250 | I218-E222 HydrophobicContact CG2-CB 4.29Å; I218-E222 HydrophobicContact CG2-CG 4.18Å; I218-E222 WeakPolarHBondContact O-CB 3.47Å; I218-E222 PolarHBondContact O-N 3.02Å; E222-E224 PolarHBondContact O-N 2.92Å; E222-L248 HydrophobicContact CG-CD2 4.32Å; E222-L248 WeakPolarHBondContact OE1-CA 3.38Å; E222-V249 PolarHBondContact OE1-N 3.43Å; E222-G250 PolarHBondContact OE1-N 2.95Å |
| 223 | L | 93.1 | Very high | 88.8 | Confident | 71 Ų | 71 | 36.2 Ų | 36.2 | 37% | 0.372 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 66 | -22.2 | -179.1 | -65.9 | 171.9 | 0 | 0 | 0 | 116.6 | L118 P124 E219 | L118-L223 HydrophobicContact CB-CD2 4.14Å; L118-L223 HydrophobicContact CD2-CD2 4.09Å; P124-L223 HydrophobicContact CG-CG 4.48Å; E219-L223 CarbonylContact O-C 3.58Å; E219-L223 VanDerWaalsContact O-CA 3.24Å; E219-L223 WeakPolarHBondContact O-CA 3.46Å; E219-L223 PolarHBondContact O-N 3.4Å |
| 224 | E | 92.2 | Very high | 88 | Confident | 83 Ų | 83 | 39.2 Ų | 39.2 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -135.5 | 151.4 | 178.7 | -62.5 | -173.7 | 164.7 | 0 | 0 | 110.1 | E222 F228 S229 | E222-E224 PolarHBondContact O-N 2.92Å; E224-F228 HydrophobicContact CB-CB 4.12Å; E224-F228 HydrophobicContact CB-CD1 4.2Å; E224-F228 HydrophobicContact CB-CG 4.34Å; E224-F228 VanDerWaalsContact CD-CD1 3.42Å; E224-F228 HydrophobicContact CG-CD1 3.97Å; E224-F228 HydrophobicContact CG-CE1 4.44Å; E224-F228 WeakPolarHBondContact OE2-CD1 3.4Å; E224-S229 WeakPolarHBondContact OE2-CB 3.41Å |
| 225 | P | 94 | Very high | 87.3 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | trans | -72.6 | 161.9 | 171.6 | 34.8 | -38.7 | 0 | 0 | 0 | 111 | F189 W190 I215 Y227 F228 | F189-P225 HydrophobicContact CB-CB 4.14Å; F189-P225 HydrophobicContact CB-CG 3.89Å; F189-P225 HydrophobicContact CG-CG 4.33Å; W190-P225 HydrophobicContact CH2-CB 4.39Å; W190-P225 HydrophobicContact CH2-CG 3.62Å; W190-P225 HydrophobicContact CZ2-CB 3.91Å; W190-P225 HydrophobicContact CZ2-CG 3.57Å; W190-P225 HydrophobicContact CZ3-CG 4.19Å; I215-P225 HydrophobicContact CG2-CB 3.74Å; P225-Y227 PolarHBondContact O-N 3.1Å; P225-F228 HydrophobicContact CG-CB 4.04Å; P225-F228 HydrophobicContact CG-CD2 3.9Å; P225-F228 HydrophobicContact CG-CG 4.29Å; P225-F228 VanDerWaalsContact O-CB 3.31Å; P225-F228 WeakPolarHBondContact O-CB 3.27Å; P225-F228 PolarHBondContact O-N 3.44Å | ||
| 226 | P | 92.3 | Very high | 86.8 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 142 | 174.5 | -27.2 | 36.7 | 0 | 0 | 0 | 113.2 | I215 I218 F228 P246 | I215-P226 HydrophobicContact CD1-CG 4.32Å; I218-P226 HydrophobicContact CD1-CG 4Å; I218-P226 HydrophobicContact CG2-CG 4.14Å; P226-F228 PolarHBondContact O-N 3.06Å; P226-P246 HydrophobicContact CB-CB 3.95Å; P226-P246 HydrophobicContact CB-CG 4.29Å; P226-P246 HydrophobicContact CG-CB 3.59Å; P226-P246 HydrophobicContact CG-CG 3.84Å |
| 227 | Y | 89.4 | Confident | 86.4 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 3.1 | 178.4 | -40.6 | -55.7 | 0 | 0 | 0 | 116.8 | P225 T231 Q239 I240 N243 | P225-Y227 PolarHBondContact O-N 3.1Å; Y227-T231 WeakPolarHBondContact O-CB 3.33Å; Y227-T231 PolarHBondContact O-OG1 2.93Å; Y227-Q239 HydrophobicContact CD1-CB 4.35Å; Y227-Q239 HydrophobicContact CD2-CB 4.01Å; Y227-Q239 HydrophobicContact CE1-CB 4.22Å; Y227-Q239 HydrophobicContact CE2-CB 3.84Å; Y227-Q239 HydrophobicContact CG-CB 4.26Å; Y227-I240 HydrophobicContact CD2-CG1 4.07Å; Y227-I240 HydrophobicContact CE2-CG1 3.89Å; Y227-N243 PolarHBondContact OH-ND2 3.11Å |
| 228 | F | 85.3 | Confident | 85.8 | Confident | 95 Ų | 95 | 47.1 Ų | 47.1 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -59.9 | -178.5 | -167 | -98.5 | 0 | 0 | 0 | 113.7 | F189 E224 P225 P226 A230 | F189-F228 HydrophobicContact CD2-CD2 4.1Å; F189-F228 AromaticContact CE2-CD2 3.91Å; F189-F228 HydrophobicContact CE2-CD2 3.91Å; F189-F228 HydrophobicContact CE2-CE2 4.33Å; F189-F228 HydrophobicContact CG-CD2 4.48Å; F189-F228 HydrophobicContact CZ-CD2 4.12Å; E224-F228 HydrophobicContact CB-CB 4.12Å; E224-F228 HydrophobicContact CB-CD1 4.2Å; E224-F228 HydrophobicContact CB-CG 4.34Å; E224-F228 VanDerWaalsContact CD-CD1 3.42Å; E224-F228 HydrophobicContact CG-CD1 3.97Å; E224-F228 HydrophobicContact CG-CE1 4.44Å; E224-F228 WeakPolarHBondContact OE2-CD1 3.4Å; P225-F228 HydrophobicContact CG-CB 4.04Å; P225-F228 HydrophobicContact CG-CD2 3.9Å; P225-F228 HydrophobicContact CG-CG 4.29Å; P225-F228 VanDerWaalsContact O-CB 3.31Å; P225-F228 WeakPolarHBondContact O-CB 3.27Å; P225-F228 PolarHBondContact O-N 3.44Å; P226-F228 PolarHBondContact O-N 3.06Å; F228-A230 PolarHBondContact O-N 3.03Å; F228-A230 VanDerWaalsContact O-N 3.1Å |
| 229 | S | 68.7 | Low | 85.4 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 74% | 0.741 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.1 | -170.9 | 52.4 | 0 | 0 | 0 | 0 | 116.5 | E224 | E224-S229 WeakPolarHBondContact OE2-CB 3.41Š|
| 230 | A | 55 | Low | 85.2 | Confident | 89 Ų | 89 | 49.3 Ų | 49.3 | 74% | 0.736 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -9.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F228 | F228-A230 PolarHBondContact O-N 3.03Å; F228-A230 VanDerWaalsContact O-N 3.1Å |
| 231 | T | 64.8 | Low | 84.8 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 17% | 0.172 | 28% | 0.277 | C | S | . | . | trans | -142.6 | 130.7 | -156.7 | -2.3 | 0 | 0 | 0 | 0 | 116.3 | Y227 A235 | Y227-T231 WeakPolarHBondContact O-CB 3.33Å; Y227-T231 PolarHBondContact O-OG1 2.93Å; T231-A235 HydrophobicContact CG2-CB 3.54Å | ||
| 232 | N | 72.5 | Confident | 84.3 | Confident | 67 Ų | 67 | 53 Ų | 53 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | trans | -53.9 | 136.1 | 165.5 | 170.8 | -24.2 | 0 | 0 | 0 | 110 | M234 A235 A236 K625 | N232-M234 PolarHBondContact O-N 2.96Å; N232-M234 PolarHBondContact OD1-N 3.49Å; N232-M234 VanDerWaalsContact OD1-N 3.12Å; N232-A235 WeakPolarHBondContact O-CA 3.26Å; N232-A235 WeakPolarHBondContact O-CB 3.14Å; N232-A235 PolarHBondContact O-N 3.16Å; N232-A236 PolarHBondContact O-N 2.9Å; N232-K625 VanDerWaalsContact OD1-CE 3.23Å; N232-K625 WeakPolarHBondContact OD1-CE 3.21Å; N232-K625 PolarHBondContact OD1-NZ 3.17Å | ||
| 233 | P | 82.9 | Confident | 84.1 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -50.7 | -30.7 | -176.4 | -33.1 | 36.2 | 0 | 0 | 0 | 116.6 | P188 F189 A235 A236 L237 | P188-P233 HydrophobicContact CB-CB 3.92Å; P188-P233 HydrophobicContact CG-CB 4.05Å; F189-P233 HydrophobicContact CE2-CG 4.37Å; F189-P233 HydrophobicContact CZ-CG 4.25Å; P233-A235 VanDerWaalsContact C-N 3.32Å; P233-A235 PolarHBondContact O-N 2.85Å; P233-A236 PolarHBondContact O-N 2.81Å; P233-L237 VanDerWaalsContact O-CG 3.3Å; P233-L237 WeakPolarHBondContact O-CG 3.4Å; P233-L237 PolarHBondContact O-N 2.92Å; P233-L237 VanDerWaalsContact O-N 3.07Å |
| 234 | M | 81.8 | Confident | 84.1 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.4 | -29.5 | 175.1 | -76.6 | -56.5 | -46.8 | 0 | 0 | 113.3 | N232 L237 Y238 K625 | N232-M234 PolarHBondContact O-N 2.96Å; N232-M234 PolarHBondContact OD1-N 3.49Å; N232-M234 VanDerWaalsContact OD1-N 3.12Å; M234-L237 HydrophobicContact CE-CD1 4.44Å; M234-L237 HydrophobicContact SD-CD1 4.07Å; M234-Y238 PolarHBondContact O-N 2.97Å; M234-K625 HydrophobicContact CG-CD 3.95Å |
| 235 | A | 84.6 | Confident | 84.2 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -81.2 | -32.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T231 N232 P233 Y238 Q239 | T231-A235 HydrophobicContact CG2-CB 3.54Å; N232-A235 WeakPolarHBondContact O-CA 3.26Å; N232-A235 WeakPolarHBondContact O-CB 3.14Å; N232-A235 PolarHBondContact O-N 3.16Å; P233-A235 VanDerWaalsContact C-N 3.32Å; P233-A235 PolarHBondContact O-N 2.85Å; A235-Y238 PolarHBondContact O-N 2.91Å; A235-Q239 WeakPolarHBondContact O-CB 3.39Å; A235-Q239 VanDerWaalsContact O-CG 3.27Å; A235-Q239 WeakPolarHBondContact O-CG 3.18Å; A235-Q239 PolarHBondContact O-N 3.18Å; A235-Q239 PolarHBondContact O-OE1 2.79Å |
| 236 | A | 86.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | F189 N232 P233 Y238 Q239 I240 | F189-A236 HydrophobicContact CD1-CB 3.58Å; F189-A236 HydrophobicContact CE1-CB 3.51Å; F189-A236 HydrophobicContact CZ-CB 4.47Å; N232-A236 PolarHBondContact O-N 2.9Å; P233-A236 PolarHBondContact O-N 2.81Å; A236-Y238 VanDerWaalsContact C-N 3.33Å; A236-Y238 PolarHBondContact O-N 3.37Å; A236-Q239 WeakPolarHBondContact O-CB 3.33Å; A236-Q239 PolarHBondContact O-N 2.78Å; A236-Q239 VanDerWaalsContact O-N 3.08Å; A236-I240 WeakPolarHBondContact O-CG1 2.99Å; A236-I240 PolarHBondContact O-N 2.83Å |
| 237 | L | 89.6 | Confident | 84.2 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 173.7 | -69.5 | 166.7 | 0 | 0 | 0 | 112.4 | F184 P188 I191 I196 P233 M234 Q239 I240 A241 | F184-L237 HydrophobicContact CE1-CD1 4.48Å; F184-L237 HydrophobicContact CZ-CD1 3.85Å; F184-L237 HydrophobicContact CZ-CD2 4.04Å; P188-L237 HydrophobicContact CB-CD1 4.24Å; P188-L237 HydrophobicContact CB-CD2 4.06Å; P188-L237 HydrophobicContact CB-CG 4.01Å; P188-L237 WeakPolarHBondContact O-CD2 3.46Å; I191-L237 HydrophobicContact CB-CD2 4.29Å; I191-L237 HydrophobicContact CD1-CD2 4.12Å; I196-L237 HydrophobicContact CD1-CB 4.23Å; I196-L237 HydrophobicContact CD1-CD2 3.6Å; I196-L237 WeakPolarHBondContact CD1-O 3.23Å; I196-L237 HydrophobicContact CG1-CD2 3.94Å; I196-L237 HydrophobicContact CG2-CB 4.31Å; P233-L237 VanDerWaalsContact O-CG 3.3Å; P233-L237 WeakPolarHBondContact O-CG 3.4Å; P233-L237 PolarHBondContact O-N 2.92Å; P233-L237 VanDerWaalsContact O-N 3.07Å; M234-L237 HydrophobicContact CE-CD1 4.44Å; M234-L237 HydrophobicContact SD-CD1 4.07Å; L237-Q239 VanDerWaalsContact C-N 3.32Å; L237-Q239 PolarHBondContact O-N 2.96Å; L237-I240 PolarHBondContact O-N 3.27Å; L237-A241 WeakPolarHBondContact O-CB 3.34Å; L237-A241 PolarHBondContact O-N 3.4Å |
| 238 | Y | 86 | Confident | 84.4 | Confident | 127 Ų | 127 | 58 Ų | 58 | 50% | 0.498 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 175.6 | 179.4 | -96.5 | 0 | 0 | 0 | 112.5 | M234 A235 A236 S242 | M234-Y238 PolarHBondContact O-N 2.97Å; A235-Y238 PolarHBondContact O-N 2.91Å; A236-Y238 VanDerWaalsContact C-N 3.33Å; A236-Y238 PolarHBondContact O-N 3.37Å; Y238-S242 WeakPolarHBondContact CE2-OG 3.46Å; Y238-S242 WeakPolarHBondContact O-CB 3.38Å; Y238-S242 PolarHBondContact O-N 3.28Å; Y238-S242 PolarHBondContact O-OG 3.35Å |
| 239 | Q | 89.5 | Confident | 84.1 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 176.5 | -77.2 | 166.7 | -34.9 | 0 | 0 | 112 | Y227 A235 A236 L237 A241 S242 N243 | Y227-Q239 HydrophobicContact CD1-CB 4.35Å; Y227-Q239 HydrophobicContact CD2-CB 4.01Å; Y227-Q239 HydrophobicContact CE1-CB 4.22Å; Y227-Q239 HydrophobicContact CE2-CB 3.84Å; Y227-Q239 HydrophobicContact CG-CB 4.26Å; A235-Q239 WeakPolarHBondContact O-CB 3.39Å; A235-Q239 VanDerWaalsContact O-CG 3.27Å; A235-Q239 WeakPolarHBondContact O-CG 3.18Å; A235-Q239 PolarHBondContact O-N 3.18Å; A235-Q239 PolarHBondContact O-OE1 2.79Å; A236-Q239 WeakPolarHBondContact O-CB 3.33Å; A236-Q239 PolarHBondContact O-N 2.78Å; A236-Q239 VanDerWaalsContact O-N 3.08Å; L237-Q239 VanDerWaalsContact C-N 3.32Å; L237-Q239 PolarHBondContact O-N 2.96Å; Q239-A241 VanDerWaalsContact C-N 3.34Å; Q239-A241 PolarHBondContact O-N 3.5Å; Q239-S242 PolarHBondContact O-N 3.03Å; Q239-N243 WeakPolarHBondContact CB-ND2 3.46Å; Q239-N243 WeakPolarHBondContact O-CB 3.39Å; Q239-N243 PolarHBondContact O-N 3.18Å; Q239-N243 PolarHBondContact O-ND2 2.75Å |
| 240 | I | 91.5 | Very high | 84.4 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 175.5 | -66.3 | 162 | 0 | 0 | 0 | 111 | P188 P193 I196 W211 Y227 A236 L237 K267 | P188-I240 WeakPolarHBondContact O-CD1 3.18Å; P193-I240 HydrophobicContact CB-CG2 4.26Å; I196-I240 HydrophobicContact CD1-CB 3.8Å; I196-I240 HydrophobicContact CD1-CD1 4.49Å; I196-I240 HydrophobicContact CD1-CG2 3.65Å; W211-I240 HydrophobicContact CZ2-CG2 4Å; Y227-I240 HydrophobicContact CD2-CG1 4.07Å; Y227-I240 HydrophobicContact CE2-CG1 3.89Å; A236-I240 WeakPolarHBondContact O-CG1 2.99Å; A236-I240 PolarHBondContact O-N 2.83Å; L237-I240 PolarHBondContact O-N 3.27Å; I240-K267 PolarHBondContact O-NZ 3.12Å |
| 241 | A | 89.1 | Confident | 85.2 | Confident | 18 Ų | 18 | 54.6 Ų | 54.6 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I196 L197 L237 Q239 K267 | I196-A241 HydrophobicContact CB-CB 4.42Å; I196-A241 HydrophobicContact CG2-CB 4.1Å; L197-A241 HydrophobicContact CD2-CB 4.26Å; L237-A241 WeakPolarHBondContact O-CB 3.34Å; L237-A241 PolarHBondContact O-N 3.4Å; Q239-A241 VanDerWaalsContact C-N 3.34Å; Q239-A241 PolarHBondContact O-N 3.5Å; A241-K267 PolarHBondContact O-NZ 3.01Å |
| 242 | S | 86.6 | Confident | 86.3 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -92.1 | -34 | -168.1 | -51 | 0 | 0 | 0 | 0 | 115.5 | Y238 Q239 | Y238-S242 WeakPolarHBondContact CE2-OG 3.46Å; Y238-S242 WeakPolarHBondContact O-CB 3.38Å; Y238-S242 PolarHBondContact O-N 3.28Å; Y238-S242 PolarHBondContact O-OG 3.35Å; Q239-S242 PolarHBondContact O-N 3.03Å |
| 243 | N | 91.2 | Very high | 87.3 | Confident | 66 Ų | 66 | 58 Ų | 58 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -87 | 169.8 | -174.9 | -57.6 | -20 | 0 | 0 | 0 | 111.5 | Y227 Q239 K267 | Y227-N243 PolarHBondContact OH-ND2 3.11Å; Q239-N243 WeakPolarHBondContact CB-ND2 3.46Å; Q239-N243 WeakPolarHBondContact O-CB 3.39Å; Q239-N243 PolarHBondContact O-N 3.18Å; Q239-N243 PolarHBondContact O-ND2 2.75Å; N243-K267 WeakPolarHBondContact O-CD 3.36Å; N243-K267 WeakPolarHBondContact O-CE 3.43Å; N243-K267 PolarHBondContact O-NZ 2.89Å |
| 244 | D | 91.9 | Very high | 87.8 | Confident | 140 Ų | 140 | 57.1 Ų | 57.1 | 75% | 0.749 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -62 | 161.1 | 164.9 | -62.8 | -49.1 | 0 | 0 | 0 | 112.2 | ||
| 245 | A | 93.9 | Very high | 88.3 | Confident | 22 Ų | 22 | 60 Ų | 60 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 137.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W211 L265 K267 | W211-A245 HydrophobicContact CH2-CB 4.09Å; W211-A245 HydrophobicContact CZ3-CB 4.23Å; A245-L265 HydrophobicContact CB-CB 4.3Å; A245-L265 WeakPolarHBondContact CB-O 3.07Å; A245-K267 HydrophobicContact CB-CG 4.07Å |
| 246 | P | 94.3 | Very high | 88.8 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 13% | 0.13 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 158.7 | 177.1 | 27.6 | -31.1 | 0 | 0 | 0 | 111.4 | I215 I218 P226 L265 | I215-P246 HydrophobicContact CD1-CG 3.58Å; I218-P246 HydrophobicContact CD1-CB 4.09Å; I218-P246 HydrophobicContact CD1-CG 4.28Å; P226-P246 HydrophobicContact CB-CB 3.95Å; P226-P246 HydrophobicContact CB-CG 4.29Å; P226-P246 HydrophobicContact CG-CB 3.59Å; P226-P246 HydrophobicContact CG-CG 3.84Å; P246-L265 HydrophobicContact CG-CD1 4.15Å; P246-L265 WeakPolarHBondContact O-CD1 3.31Å |
| 247 | R | 93.3 | Very high | 89.2 | Confident | 149 Ų | 149 | 63.3 Ų | 63.3 | 56% | 0.562 | 36% | 0.36 | S | S | * | . | trans | -143.1 | 158.6 | -175 | -57.4 | 178.8 | -175.3 | -121.8 | -4.2 | 108.2 | V249 | R247-V249 VanDerWaalsContact O-CG2 3.26Å; R247-V249 WeakPolarHBondContact O-CG2 3.38Å; R247-V249 PolarHBondContact O-N 2.93Å; R247-V249 VanDerWaalsContact O-N 3.15Å | ||
| 248 | L | 92.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | trans | -62.7 | 112 | 171.7 | -65.4 | 169.2 | 0 | 0 | 0 | 110.2 | I218 A221 E222 W253 F257 R258 V261 | I218-L248 HydrophobicContact CB-CD2 4.41Å; I218-L248 HydrophobicContact CG1-CD2 4.04Å; I218-L248 HydrophobicContact CG2-CD2 4.5Å; A221-L248 HydrophobicContact CB-CD2 3.56Å; E222-L248 HydrophobicContact CG-CD2 4.32Å; E222-L248 WeakPolarHBondContact OE1-CA 3.38Å; L248-W253 HydrophobicContact CD1-CB 4.3Å; L248-W253 HydrophobicContact CD1-CG 4.06Å; L248-F257 HydrophobicContact CD1-CD1 3.78Å; L248-F257 HydrophobicContact CD1-CE1 3.65Å; L248-F257 HydrophobicContact CD1-CE2 4.49Å; L248-F257 HydrophobicContact CD1-CG 4.23Å; L248-F257 HydrophobicContact CD1-CZ 4.02Å; L248-R258 HydrophobicContact CD1-CG 4.29Å; L248-R258 PolarHBondContact O-NH1 3.37Å; L248-V261 HydrophobicContact CD1-CG2 4.03Å; L248-V261 HydrophobicContact CG-CG1 4.48Å; L248-V261 HydrophobicContact CG-CG2 4.32Å | ||
| 249 | V | 80.1 | Confident | 90 | Very high | 133 Ų | 133 | 63.2 Ų | 63.2 | 81% | 0.806 | 36% | 0.363 | S | S | * | . | trans | -93.9 | -26 | -177.2 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | E222 R247 | E222-V249 PolarHBondContact OE1-N 3.43Å; R247-V249 VanDerWaalsContact O-CG2 3.26Å; R247-V249 WeakPolarHBondContact O-CG2 3.38Å; R247-V249 PolarHBondContact O-N 2.93Å; R247-V249 VanDerWaalsContact O-N 3.15Å | ||
| 250 | G | 73.3 | Confident | 90.4 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -99.8 | -173.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E222 R258 | E222-G250 PolarHBondContact OE1-N 2.95Å; G250-R258 PolarHBondContact O-NH2 3.14Å |
| 251 | G | 72.8 | Confident | 90.7 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 54% | 0.536 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 71.6 | 153.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | W253 R258 | G251-W253 PolarHBondContact O-N 2.79Å; G251-R258 PolarHBondContact O-NH2 3.17Å |
| 252 | S | 86.9 | Confident | 91 | Very high | 131 Ų | 131 | 64.6 Ų | 64.6 | 92% | 0.916 | 36% | 0.362 | S | S | * | . | trans | -87.1 | 48.2 | 168.3 | 60.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 253 | W | 93.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | trans | -68.6 | 145.8 | 176.9 | -55.2 | 120.6 | 0 | 0 | 0 | 111.7 | P124 L125 E127 I130 A221 L248 G251 F257 R258 | P124-W253 HydrophobicContact CB-CH2 4.15Å; P124-W253 HydrophobicContact CB-CZ2 4.24Å; L125-W253 WeakPolarHBondContact O-CH2 3.34Å; E127-W253 HydrophobicContact CB-CE3 4.06Å; E127-W253 HydrophobicContact CB-CZ3 4Å; E127-W253 HydrophobicContact CG-CE3 4.27Å; E127-W253 WeakPolarHBondContact OE2-CA 3.44Å; I130-W253 HydrophobicContact CD1-CH2 4.36Å; I130-W253 HydrophobicContact CD1-CZ3 4.37Å; A221-W253 HydrophobicContact CB-CH2 4.18Å; A221-W253 HydrophobicContact CB-CZ2 3.57Å; A221-W253 WeakPolarHBondContact O-CZ2 3.28Å; L248-W253 HydrophobicContact CD1-CB 4.3Å; L248-W253 HydrophobicContact CD1-CG 4.06Å; G251-W253 PolarHBondContact O-N 2.79Å; W253-F257 HydrophobicContact CB-CD1 3.93Å; W253-F257 AromaticContact CD2-CD1 3.89Å; W253-F257 HydrophobicContact CD2-CD1 3.89Å; W253-F257 AromaticContact CD2-CE1 3.86Å; W253-F257 HydrophobicContact CD2-CE1 3.86Å; W253-F257 AromaticContact CE3-CD1 3.75Å; W253-F257 HydrophobicContact CE3-CD1 3.75Å; W253-F257 AromaticContact CE3-CE1 3.8Å; W253-F257 HydrophobicContact CE3-CE1 3.8Å; W253-F257 AromaticContact CG-CD1 3.97Å; W253-F257 HydrophobicContact CG-CD1 3.97Å; W253-F257 HydrophobicContact CG-CE1 4.21Å; W253-F257 HydrophobicContact CZ3-CE1 4.31Å; W253-R258 HydrophobicContact CB-CG 4.18Å; W253-R258 PolarHBondContact O-NE 3.07Å | ||
| 254 | S | 93.9 | Very high | 91.8 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 22% | 0.217 | 34% | 0.338 | C | S | . | . | trans | -61.4 | 158.4 | 176.5 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | E127 E256 F257 R258 | E127-S254 VanDerWaalsContact CD-OG 3.27Å; E127-S254 WeakPolarHBondContact OE1-CB 3.45Å; E127-S254 PolarHBondContact OE1-OG 3.31Å; E127-S254 PolarHBondContact OE2-N 3.45Å; E127-S254 PolarHBondContact OE2-OG 3.04Å; S254-E256 WeakPolarHBondContact CB-OE2 3.36Å; S254-E256 PolarHBondContact O-N 2.82Å; S254-F257 PolarHBondContact O-N 3.14Å; S254-F257 WeakPolarHBondContact OG-CB 3.38Å; S254-F257 PolarHBondContact OG-N 3.48Å; S254-R258 WeakPolarHBondContact O-CB 3.38Å; S254-R258 WeakPolarHBondContact O-CG 3.47Å; S254-R258 PolarHBondContact O-N 3.23Å | ||
| 255 | D | 93.4 | Very high | 92.1 | Very high | 125 Ų | 125 | 55 Ų | 55 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.2 | -32 | 172.2 | -77.6 | -46.3 | 0 | 0 | 0 | 111 | R258 D259 | D255-R258 PolarHBondContact O-N 3.38Å; D255-D259 VanDerWaalsContact O-CB 3.32Å; D255-D259 WeakPolarHBondContact O-CB 3.43Å; D255-D259 PolarHBondContact O-N 2.93Å |
| 256 | E | 94.6 | Very high | 92.3 | Very high | 102 Ų | 102 | 57 Ų | 57 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 173.7 | -66.9 | 82.8 | 171.3 | 0 | 0 | 112.6 | S254 F260 H281 P282 F283 | S254-E256 WeakPolarHBondContact CB-OE2 3.36Å; S254-E256 PolarHBondContact O-N 2.82Å; E256-F260 WeakPolarHBondContact O-CB 3.21Å; E256-F260 PolarHBondContact O-N 2.95Å; E256-H281 PolarHBondContact O-CE1 3.42Å; E256-P282 HydrophobicContact CG-CB 4.45Å; E256-F283 HydrophobicContact CB-CB 4.42Å |
| 257 | F | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.8 | -39.8 | 175.6 | -176.6 | -149.2 | 0 | 0 | 0 | 111.4 | E127 I130 C217 A221 L248 W253 S254 D259 F260 V261 F283 | E127-F257 HydrophobicContact CG-CB 4.14Å; E127-F257 HydrophobicContact CG-CD1 3.88Å; E127-F257 HydrophobicContact CG-CG 4.15Å; I130-F257 HydrophobicContact CD1-CE1 4.09Å; I130-F257 HydrophobicContact CD1-CZ 4.03Å; I130-F257 HydrophobicContact CG2-CE2 3.9Å; I130-F257 HydrophobicContact CG2-CZ 3.81Å; C217-F257 HydrophobicContact CB-CE2 4.04Å; C217-F257 HydrophobicContact CB-CZ 4.29Å; A221-F257 HydrophobicContact CB-CE1 4.08Å; A221-F257 HydrophobicContact CB-CZ 4.24Å; L248-F257 HydrophobicContact CD1-CD1 3.78Å; L248-F257 HydrophobicContact CD1-CE1 3.65Å; L248-F257 HydrophobicContact CD1-CE2 4.49Å; L248-F257 HydrophobicContact CD1-CG 4.23Å; L248-F257 HydrophobicContact CD1-CZ 4.02Å; W253-F257 HydrophobicContact CB-CD1 3.93Å; W253-F257 AromaticContact CD2-CD1 3.89Å; W253-F257 HydrophobicContact CD2-CD1 3.89Å; W253-F257 AromaticContact CD2-CE1 3.86Å; W253-F257 HydrophobicContact CD2-CE1 3.86Å; W253-F257 AromaticContact CE3-CD1 3.75Å; W253-F257 HydrophobicContact CE3-CD1 3.75Å; W253-F257 AromaticContact CE3-CE1 3.8Å; W253-F257 HydrophobicContact CE3-CE1 3.8Å; W253-F257 AromaticContact CG-CD1 3.97Å; W253-F257 HydrophobicContact CG-CD1 3.97Å; W253-F257 HydrophobicContact CG-CE1 4.21Å; W253-F257 HydrophobicContact CZ3-CE1 4.31Å; S254-F257 PolarHBondContact O-N 3.14Å; S254-F257 WeakPolarHBondContact OG-CB 3.38Å; S254-F257 PolarHBondContact OG-N 3.48Å; F257-D259 VanDerWaalsContact C-N 3.27Å; F257-D259 PolarHBondContact O-N 3.02Å; F257-F260 PolarHBondContact O-N 2.78Å; F257-V261 HydrophobicContact CD2-CG2 3.97Å; F257-V261 HydrophobicContact CE2-CG2 3.6Å; F257-V261 HydrophobicContact CZ-CG2 4.2Å; F257-V261 WeakPolarHBondContact O-CG2 3.44Å; F257-V261 PolarHBondContact O-N 3.12Å; F257-F283 HydrophobicContact CB-CD2 3.69Å; F257-F283 HydrophobicContact CB-CE2 3.53Å; F257-F283 HydrophobicContact CB-CZ 4.29Å; F257-F283 HydrophobicContact CD2-CD1 4.35Å; F257-F283 HydrophobicContact CD2-CD2 4.1Å; F257-F283 AromaticContact CD2-CE1 3.79Å; F257-F283 HydrophobicContact CD2-CE1 3.79Å; F257-F283 AromaticContact CD2-CE2 3.51Å; F257-F283 HydrophobicContact CD2-CE2 3.51Å; F257-F283 AromaticContact CD2-CZ 3.33Å; F257-F283 HydrophobicContact CD2-CZ 3.33Å; F257-F283 HydrophobicContact CE2-CE1 4.18Å; F257-F283 HydrophobicContact CE2-CE2 4.38Å; F257-F283 AromaticContact CE2-CZ 3.8Å; F257-F283 HydrophobicContact CE2-CZ 3.8Å; F257-F283 HydrophobicContact CG-CD2 4.2Å; F257-F283 AromaticContact CG-CE2 3.61Å; F257-F283 HydrophobicContact CG-CE2 3.61Å; F257-F283 AromaticContact CG-CZ 3.89Å; F257-F283 HydrophobicContact CG-CZ 3.89Å |
| 258 | R | 95.8 | Very high | 92 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -29.5 | 175.2 | -71.5 | 173.8 | 174 | -68.3 | -4.9 | 113.1 | L248 G250 G251 W253 S254 D255 R262 | L248-R258 HydrophobicContact CD1-CG 4.29Å; L248-R258 PolarHBondContact O-NH1 3.37Å; G250-R258 PolarHBondContact O-NH2 3.14Å; G251-R258 PolarHBondContact O-NH2 3.17Å; W253-R258 HydrophobicContact CB-CG 4.18Å; W253-R258 PolarHBondContact O-NE 3.07Å; S254-R258 WeakPolarHBondContact O-CB 3.38Å; S254-R258 WeakPolarHBondContact O-CG 3.47Å; S254-R258 PolarHBondContact O-N 3.23Å; D255-R258 PolarHBondContact O-N 3.38Å; R258-R262 WeakPolarHBondContact O-CB 3.41Å |
| 259 | D | 96 | Very high | 91.9 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -82.8 | -36.8 | 172.6 | -156.9 | 45.8 | 0 | 0 | 0 | 111.8 | D255 F257 V261 R262 F263 H281 | D255-D259 VanDerWaalsContact O-CB 3.32Å; D255-D259 WeakPolarHBondContact O-CB 3.43Å; D255-D259 PolarHBondContact O-N 2.93Å; F257-D259 VanDerWaalsContact C-N 3.27Å; F257-D259 PolarHBondContact O-N 3.02Å; D259-V261 PolarHBondContact O-N 2.98Å; D259-R262 CarbonylContact O-C 3.59Å; D259-R262 WeakPolarHBondContact O-CA 3.47Å; D259-R262 WeakPolarHBondContact O-CB 3.28Å; D259-R262 PolarHBondContact O-N 2.79Å; D259-R262 VanDerWaalsContact O-N 3.11Å; D259-R262 WeakPolarHBondContact OD1-CD 3.46Å; D259-R262 IonicContact OD1-CZ 3.55Å; D259-R262 VanDerWaalsContact OD1-CZ 3.22Å; D259-R262 IonicContact OD1-NE 2.66Å; D259-R262 IonicContact OD1-NH1 2.65Å; D259-R262 PolarHBondContact OD1-NH1 3.16Å; D259-F263 WeakPolarHBondContact O-CB 3.15Å; D259-F263 PolarHBondContact O-N 3.42Å; D259-H281 IonicContact OD2-NE2 3.44Å |
| 260 | F | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.1 | -49.7 | 173.4 | 179.8 | -101 | 0 | 0 | 0 | 111.9 | V134 L138 E256 F257 R262 F263 V264 A278 H281 F283 L284 | V134-F260 HydrophobicContact CG1-CE1 3.63Å; V134-F260 HydrophobicContact CG1-CE2 4.44Å; V134-F260 HydrophobicContact CG1-CZ 3.46Å; V134-F260 VanDerWaalsContact CG1-CZ 3.46Å; L138-F260 HydrophobicContact CD1-CE2 4.47Å; L138-F260 HydrophobicContact CD1-CZ 4.24Å; E256-F260 WeakPolarHBondContact O-CB 3.21Å; E256-F260 PolarHBondContact O-N 2.95Å; F257-F260 PolarHBondContact O-N 2.78Å; F260-R262 PolarHBondContact O-N 3.42Å; F260-F263 WeakPolarHBondContact O-CB 3.42Å; F260-F263 PolarHBondContact O-N 3.44Å; F260-F263 VanDerWaalsContact O-N 3.09Å; F260-V264 HydrophobicContact CE1-CG1 4.19Å; F260-V264 HydrophobicContact CE1-CG2 4.31Å; F260-V264 HydrophobicContact CE2-CG1 3.94Å; F260-V264 HydrophobicContact CZ-CG1 3.76Å; F260-V264 WeakPolarHBondContact O-CG2 3.46Å; F260-V264 PolarHBondContact O-N 2.69Å; F260-A278 HydrophobicContact CE2-CB 4.39Å; F260-H281 VanDerWaalsContact CA-CE1 3.46Å; F260-H281 WeakPolarHBondContact CA-CE1 3.49Å; F260-H281 HydrophobicContact CD2-CB 3.8Å; F260-H281 AromaticContact CD2-CG 3.69Å; F260-H281 AromaticContact CD2-ND1 3.65Å; F260-H281 HydrophobicContact CE2-CB 4.27Å; F260-H281 PolarHBondContact N-CE1 3.11Å; F260-H281 VanDerWaalsContact N-CE1 3.32Å; F260-F283 HydrophobicContact CB-CB 3.88Å; F260-F283 HydrophobicContact CB-CD1 3.81Å; F260-F283 HydrophobicContact CB-CG 3.95Å; F260-F283 AromaticContact CD1-CD1 3.71Å; F260-F283 HydrophobicContact CD1-CD1 3.71Å; F260-F283 AromaticContact CD1-CE1 3.95Å; F260-F283 HydrophobicContact CD1-CE1 3.95Å; F260-F283 HydrophobicContact CD2-CB 4.46Å; F260-F283 HydrophobicContact CD2-CD1 4.01Å; F260-F283 HydrophobicContact CE1-CD1 4.32Å; F260-F283 HydrophobicContact CE1-CE1 4.39Å; F260-F283 HydrophobicContact CG-CB 4.29Å; F260-F283 AromaticContact CG-CD1 3.54Å; F260-F283 HydrophobicContact CG-CD1 3.54Å; F260-F283 HydrophobicContact CG-CE1 4.25Å; F260-F283 HydrophobicContact CG-CG 4.18Å; F260-L284 HydrophobicContact CE2-CD1 4.16Å |
| 261 | V | 97.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -36.4 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | C217 I218 L248 F257 D259 L265 | C217-V261 HydrophobicContact CB-CG2 3.88Å; I218-V261 HydrophobicContact CD1-CG1 4.11Å; I218-V261 HydrophobicContact CG1-CG1 3.97Å; L248-V261 HydrophobicContact CD1-CG2 4.03Å; L248-V261 HydrophobicContact CG-CG1 4.48Å; L248-V261 HydrophobicContact CG-CG2 4.32Å; F257-V261 HydrophobicContact CD2-CG2 3.97Å; F257-V261 HydrophobicContact CE2-CG2 3.6Å; F257-V261 HydrophobicContact CZ-CG2 4.2Å; F257-V261 WeakPolarHBondContact O-CG2 3.44Å; F257-V261 PolarHBondContact O-N 3.12Å; D259-V261 PolarHBondContact O-N 2.98Å; V261-L265 HydrophobicContact CG1-CD1 3.69Å; V261-L265 VanDerWaalsContact O-CB 3.24Å; V261-L265 WeakPolarHBondContact O-CB 3.45Å; V261-L265 VanDerWaalsContact O-CG 3.29Å; V261-L265 WeakPolarHBondContact O-CG 3.48Å; V261-L265 PolarHBondContact O-N 3.34Å; V261-L265 VanDerWaalsContact O-N 3.12Å |
| 262 | R | 96.7 | Very high | 94.6 | Very high | 104 Ų | 104 | 58.8 Ų | 58.8 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 175 | -177.3 | -165.9 | -50.1 | 157.1 | 2.8 | 112.4 | R258 D259 F260 Q266 | R258-R262 WeakPolarHBondContact O-CB 3.41Å; D259-R262 CarbonylContact O-C 3.59Å; D259-R262 WeakPolarHBondContact O-CA 3.47Å; D259-R262 WeakPolarHBondContact O-CB 3.28Å; D259-R262 PolarHBondContact O-N 2.79Å; D259-R262 VanDerWaalsContact O-N 3.11Å; D259-R262 WeakPolarHBondContact OD1-CD 3.46Å; D259-R262 IonicContact OD1-CZ 3.55Å; D259-R262 VanDerWaalsContact OD1-CZ 3.22Å; D259-R262 IonicContact OD1-NE 2.66Å; D259-R262 IonicContact OD1-NH1 2.65Å; D259-R262 PolarHBondContact OD1-NH1 3.16Å; F260-R262 PolarHBondContact O-N 3.42Å; R262-Q266 PolarHBondContact O-NE2 3.11Å |
| 263 | F | 97 | Very high | 95.1 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 179.7 | -177.8 | -132.5 | 0 | 0 | 0 | 111.5 | D259 F260 P273 H281 | D259-F263 WeakPolarHBondContact O-CB 3.15Å; D259-F263 PolarHBondContact O-N 3.42Å; F260-F263 WeakPolarHBondContact O-CB 3.42Å; F260-F263 PolarHBondContact O-N 3.44Å; F260-F263 VanDerWaalsContact O-N 3.09Å; F263-P273 HydrophobicContact CD1-CG 3.91Å; F263-P273 HydrophobicContact CD2-CG 4.2Å; F263-P273 HydrophobicContact CE1-CB 3.85Å; F263-P273 HydrophobicContact CE1-CG 3.72Å; F263-P273 HydrophobicContact CE2-CB 4.09Å; F263-P273 HydrophobicContact CE2-CG 4Å; F263-P273 HydrophobicContact CG-CG 4.16Å; F263-P273 HydrophobicContact CZ-CB 3.6Å; F263-P273 HydrophobicContact CZ-CG 3.77Å; F263-P273 WeakPolarHBondContact O-CD 3.33Å; F263-H281 AromaticContact CD1-CD2 3.51Å |
| 264 | V | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -82.6 | -22.4 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 114.3 | V210 G214 F260 Q266 R272 P273 A278 | V210-V264 HydrophobicContact CG1-CB 3.75Å; V210-V264 HydrophobicContact CG1-CG1 3.84Å; G214-V264 VanDerWaalsContact CA-CG2 3.41Å; F260-V264 HydrophobicContact CE1-CG1 4.19Å; F260-V264 HydrophobicContact CE1-CG2 4.31Å; F260-V264 HydrophobicContact CE2-CG1 3.94Å; F260-V264 HydrophobicContact CZ-CG1 3.76Å; F260-V264 WeakPolarHBondContact O-CG2 3.46Å; F260-V264 PolarHBondContact O-N 2.69Å; V264-Q266 PolarHBondContact O-N 3.41Å; V264-R272 VanDerWaalsContact O-CD 3.27Å; V264-R272 WeakPolarHBondContact O-CD 3.44Å; V264-R272 WeakPolarHBondContact O-CG 3.34Å; V264-P273 HydrophobicContact CG1-CG 4.4Å; V264-A278 HydrophobicContact CG1-CB 4.34Å |
| 265 | L | 97.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 39.1 | 178.5 | -65.9 | 177 | 0 | 0 | 0 | 114.1 | W211 I215 I218 A245 P246 V261 K267 | W211-L265 HydrophobicContact CD2-CD2 3.67Å; W211-L265 HydrophobicContact CE3-CB 4.32Å; W211-L265 HydrophobicContact CE3-CD2 3.85Å; W211-L265 HydrophobicContact CG-CD2 4.03Å; W211-L265 HydrophobicContact CZ2-CD2 4.36Å; W211-L265 HydrophobicContact CZ3-CB 4.21Å; W211-L265 HydrophobicContact CZ3-CD2 4.27Å; W211-L265 WeakPolarHBondContact CZ3-O 2.79Å; W211-L265 WeakPolarHBondContact O-CD2 3.34Å; I215-L265 HydrophobicContact CD1-CD1 4.25Å; I215-L265 HydrophobicContact CD1-CD2 3.78Å; I215-L265 HydrophobicContact CG1-CD2 4.02Å; I218-L265 HydrophobicContact CD1-CD1 3.8Å; A245-L265 HydrophobicContact CB-CB 4.3Å; A245-L265 WeakPolarHBondContact CB-O 3.07Å; P246-L265 HydrophobicContact CG-CD1 4.15Å; P246-L265 WeakPolarHBondContact O-CD1 3.31Å; V261-L265 HydrophobicContact CG1-CD1 3.69Å; V261-L265 VanDerWaalsContact O-CB 3.24Å; V261-L265 WeakPolarHBondContact O-CB 3.45Å; V261-L265 VanDerWaalsContact O-CG 3.29Å; V261-L265 WeakPolarHBondContact O-CG 3.48Å; V261-L265 PolarHBondContact O-N 3.34Å; V261-L265 VanDerWaalsContact O-N 3.12Å; L265-K267 PolarHBondContact O-N 3.45Å |
| 266 | Q | 96.5 | Very high | 95.4 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | trans | -70.2 | 128.8 | 170 | -65 | -59.8 | -24.8 | 0 | 0 | 111.1 | R262 V264 E271 R272 | R262-Q266 PolarHBondContact O-NE2 3.11Å; V264-Q266 PolarHBondContact O-N 3.41Å; Q266-E271 HydrophobicContact CB-CB 4.1Å; Q266-E271 HydrophobicContact CG-CB 4.04Å; Q266-R272 HydrophobicContact CB-CB 4.03Å; Q266-R272 HydrophobicContact CB-CG 4.33Å; Q266-R272 PolarHBondContact O-NE 2.84Å; Q266-R272 PolarHBondContact O-NH2 3.08Å | ||
| 267 | K | 92.7 | Very high | 95.5 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -72.6 | -34.1 | 178.6 | -74.2 | -160.1 | 70.4 | 179.3 | 0 | 112.8 | P193 W211 I240 A241 N243 A245 L265 | P193-K267 HydrophobicContact CG-CB 4.45Å; P193-K267 HydrophobicContact CG-CG 4.43Å; W211-K267 HydrophobicContact CH2-CG 4.07Å; W211-K267 HydrophobicContact CZ3-CG 3.98Å; I240-K267 PolarHBondContact O-NZ 3.12Å; A241-K267 PolarHBondContact O-NZ 3.01Å; N243-K267 WeakPolarHBondContact O-CD 3.36Å; N243-K267 WeakPolarHBondContact O-CE 3.43Å; N243-K267 PolarHBondContact O-NZ 2.89Å; A245-K267 HydrophobicContact CB-CG 4.07Å; L265-K267 PolarHBondContact O-N 3.45Å |
| 268 | D | 90.1 | Very high | 95.5 | Very high | 87 Ų | 87 | 50.1 Ų | 50.1 | 47% | 0.465 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -75 | 126.6 | 166 | -165.2 | -19 | 0 | 0 | 0 | 108.2 | N270 E271 R272 | D268-N270 PolarHBondContact O-N 3.16Å; D268-N270 VanDerWaalsContact OD1-CA 3.31Å; D268-N270 WeakPolarHBondContact OD1-CA 3.24Å; D268-N270 PolarHBondContact OD1-N 3.01Å; D268-N270 PolarHBondContact OD1-ND2 3.19Å; D268-N270 VanDerWaalsContact OD1-ND2 3.12Å; D268-E271 HydrophobicContact CB-CG 4.33Å; D268-E271 PolarHBondContact O-N 3.19Å; D268-R272 PolarHBondContact O-N 2.85Å |
| 269 | M | 90.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -32.8 | 170.8 | -171.9 | 178.7 | 66.9 | 0 | 0 | 110.3 | E194 R207 R272 | E194-M269 HydrophobicContact CG-SD 4.34Å; R207-M269 HydrophobicContact CB-CG 4.3Å; R207-M269 VanDerWaalsContact CZ-O 3.26Å; R207-M269 PolarHBondContact NH1-O 2.72Å; M269-R272 PolarHBondContact O-N 2.79Å |
| 270 | N | 91.1 | Very high | 95.4 | Very high | 105 Ų | 105 | 51.5 Ų | 51.5 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.7 | -66.5 | 167.3 | 44.9 | -131.4 | 0 | 0 | 0 | 113.9 | D268 R272 | D268-N270 PolarHBondContact O-N 3.16Å; D268-N270 VanDerWaalsContact OD1-CA 3.31Å; D268-N270 WeakPolarHBondContact OD1-CA 3.24Å; D268-N270 PolarHBondContact OD1-N 3.01Å; D268-N270 PolarHBondContact OD1-ND2 3.19Å; D268-N270 VanDerWaalsContact OD1-ND2 3.12Å; N270-R272 VanDerWaalsContact C-N 3.31Å; N270-R272 PolarHBondContact O-N 2.8Å |
| 271 | E | 94.9 | Very high | 95.3 | Very high | 138 Ų | 138 | 52.4 Ų | 52.4 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8.5 | -173.2 | -57.8 | -60 | 140.8 | 0 | 0 | 113 | Q266 D268 | Q266-E271 HydrophobicContact CB-CB 4.1Å; Q266-E271 HydrophobicContact CG-CB 4.04Å; D268-E271 HydrophobicContact CB-CG 4.33Å; D268-E271 PolarHBondContact O-N 3.19Å |
| 272 | R | 96.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 1% | 0.011 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -79.2 | 128.1 | -177.9 | -156.9 | -177.3 | -54.2 | 142.2 | 8.4 | 110.7 | E194 R207 V210 V264 Q266 D268 M269 N270 | E194-R272 IonicContact OE1-CZ 2.69Å; E194-R272 IonicContact OE1-NH1 3.68Å; E194-R272 PolarHBondContact OE1-NH1 3.02Å; E194-R272 IonicContact OE1-NH2 3.01Å; E194-R272 PolarHBondContact OE1-NH2 3.33Å; E194-R272 IonicContact OE2-CZ 2.69Å; E194-R272 IonicContact OE2-NH1 3.42Å; E194-R272 IonicContact OE2-NH2 2.66Å; E194-R272 PolarHBondContact OE2-NH2 3.45Å; R207-R272 VanDerWaalsContact CD-O 3.26Å; R207-R272 WeakPolarHBondContact CD-O 3.26Å; R207-R272 WeakPolarHBondContact O-CD 3.45Å; R207-R272 PolarHBondContact O-NH1 2.85Å; V210-R272 HydrophobicContact CG1-CG 4.12Å; V264-R272 VanDerWaalsContact O-CD 3.27Å; V264-R272 WeakPolarHBondContact O-CD 3.44Å; V264-R272 WeakPolarHBondContact O-CG 3.34Å; Q266-R272 HydrophobicContact CB-CB 4.03Å; Q266-R272 HydrophobicContact CB-CG 4.33Å; Q266-R272 PolarHBondContact O-NE 2.84Å; Q266-R272 PolarHBondContact O-NH2 3.08Å; D268-R272 PolarHBondContact O-N 2.85Å; M269-R272 PolarHBondContact O-N 2.79Å; N270-R272 VanDerWaalsContact C-N 3.31Å; N270-R272 PolarHBondContact O-N 2.8Å |
| 273 | P | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 153.6 | -178.1 | 27 | -36.1 | 0 | 0 | 0 | 112.9 | V210 F263 V264 Q277 A278 | V210-P273 HydrophobicContact CG1-CG 4.35Å; F263-P273 HydrophobicContact CD1-CG 3.91Å; F263-P273 HydrophobicContact CD2-CG 4.2Å; F263-P273 HydrophobicContact CE1-CB 3.85Å; F263-P273 HydrophobicContact CE1-CG 3.72Å; F263-P273 HydrophobicContact CE2-CB 4.09Å; F263-P273 HydrophobicContact CE2-CG 4Å; F263-P273 HydrophobicContact CG-CG 4.16Å; F263-P273 HydrophobicContact CZ-CB 3.6Å; F263-P273 HydrophobicContact CZ-CG 3.77Å; F263-P273 WeakPolarHBondContact O-CD 3.33Å; V264-P273 HydrophobicContact CG1-CG 4.4Å; P273-Q277 HydrophobicContact CB-CB 3.85Å; P273-A278 HydrophobicContact CG-CB 4.43Å |
| 274 | F | 96.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 48.8 Ų | 48.8 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 160.8 | 160.2 | -66.9 | -81.7 | 0 | 0 | 0 | 110.8 | V206 R207 S276 Q277 A278 | V206-F274 HydrophobicContact CG2-CD1 4.02Å; V206-F274 HydrophobicContact CG2-CE1 3.89Å; R207-F274 HydrophobicContact CG-CD1 4.05Å; R207-F274 HydrophobicContact CG-CE1 3.98Å; F274-S276 PolarHBondContact O-N 3.49Å; F274-Q277 WeakPolarHBondContact O-CA 3.43Å; F274-Q277 WeakPolarHBondContact O-CB 3.43Å; F274-Q277 PolarHBondContact O-N 2.82Å; F274-A278 PolarHBondContact O-N 3.22Å |
| 275 | C | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.2 | -45.5 | -178.3 | -70.2 | 0 | 0 | 0 | 0 | 113 | L138 L141 D142 H145 Q277 A278 M279 | L138-C275 HydrophobicContact CD2-CB 4.07Å; L141-C275 WeakPolarHBondContact CB-SG 3.42Å; D142-C275 HydrophobicContact CB-CB 3.7Å; D142-C275 WeakPolarHBondContact OD1-CB 3.02Å; H145-C275 VanDerWaalsContact CE1-SG 3.55Å; H145-C275 PolarHBondContact ND1-SG 2.94Å; H145-C275 VanDerWaalsContact ND1-SG 3.42Å; C275-Q277 PolarHBondContact O-N 3.48Å; C275-A278 PolarHBondContact O-N 2.95Å; C275-A278 VanDerWaalsContact O-N 3.1Å; C275-M279 WeakPolarHBondContact O-CG 3.5Å; C275-M279 PolarHBondContact O-N 3.47Å |
| 276 | S | 94.7 | Very high | 92.9 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 43% | 0.427 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -51 | -35.1 | 169.9 | 48.8 | 0 | 0 | 0 | 0 | 115 | D142 F274 | D142-S276 WeakPolarHBondContact OD1-CB 3.35Å; D142-S276 PolarHBondContact OD1-N 3.05Å; F274-S276 PolarHBondContact O-N 3.49Å |
| 277 | Q | 96 | Very high | 91.9 | Very high | 98 Ų | 98 | 52 Ų | 52 | 46% | 0.458 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -77.9 | -44.6 | 173.9 | -64.9 | 171 | -52.9 | 0 | 0 | 111.3 | P273 F274 C275 M279 T280 | P273-Q277 HydrophobicContact CB-CB 3.85Å; F274-Q277 WeakPolarHBondContact O-CA 3.43Å; F274-Q277 WeakPolarHBondContact O-CB 3.43Å; F274-Q277 PolarHBondContact O-N 2.82Å; C275-Q277 PolarHBondContact O-N 3.48Å; Q277-M279 VanDerWaalsContact C-N 3.25Å; Q277-M279 PolarHBondContact O-N 2.87Å; Q277-T280 PolarHBondContact O-N 2.9Å; Q277-T280 PolarHBondContact O-OG1 3.16Å |
| 278 | A | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.9 | -34.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L138 F260 V264 P273 F274 C275 T280 H281 | L138-A278 HydrophobicContact CD1-CB 3.89Å; L138-A278 HydrophobicContact CD2-CB 3.82Å; F260-A278 HydrophobicContact CE2-CB 4.39Å; V264-A278 HydrophobicContact CG1-CB 4.34Å; P273-A278 HydrophobicContact CG-CB 4.43Å; F274-A278 PolarHBondContact O-N 3.22Å; C275-A278 PolarHBondContact O-N 2.95Å; C275-A278 VanDerWaalsContact O-N 3.1Å; A278-T280 PolarHBondContact O-N 2.62Å; A278-H281 VanDerWaalsContact O-CB 3.31Å; A278-H281 WeakPolarHBondContact O-CB 3.45Å; A278-H281 PolarHBondContact O-N 2.93Å |
| 279 | M | 94.6 | Very high | 89.6 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.4 | 174.2 | -71.9 | -170.7 | -71.2 | 0 | 0 | 114.3 | Q135 L138 D142 C275 Q277 | Q135-M279 PolarHBondContact NE2-SD 2.81Å; L138-M279 HydrophobicContact CB-CG 3.52Å; L138-M279 HydrophobicContact CB-SD 4.02Å; L138-M279 HydrophobicContact CD1-CG 3.83Å; L138-M279 HydrophobicContact CG-CG 4.26Å; D142-M279 HydrophobicContact CB-CE 3.76Å; C275-M279 WeakPolarHBondContact O-CG 3.5Å; C275-M279 PolarHBondContact O-N 3.47Å; Q277-M279 VanDerWaalsContact C-N 3.25Å; Q277-M279 PolarHBondContact O-N 2.87Å |
| 280 | T | 94.6 | Very high | 88.6 | Confident | 116 Ų | 116 | 64.9 Ų | 64.9 | 71% | 0.712 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.1 | 176.4 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | Q277 A278 | Q277-T280 PolarHBondContact O-N 2.9Å; Q277-T280 PolarHBondContact O-OG1 3.16Å; A278-T280 PolarHBondContact O-N 2.62Å |
| 281 | H | 95.8 | Very high | 87.9 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -69 | 138.5 | -174.9 | -166.1 | -92.2 | 0 | 0 | 0 | 112.4 | E256 D259 F260 F263 A278 F283 L284 | E256-H281 PolarHBondContact O-CE1 3.42Å; D259-H281 IonicContact OD2-NE2 3.44Å; F260-H281 VanDerWaalsContact CA-CE1 3.46Å; F260-H281 WeakPolarHBondContact CA-CE1 3.49Å; F260-H281 HydrophobicContact CD2-CB 3.8Å; F260-H281 AromaticContact CD2-CG 3.69Å; F260-H281 AromaticContact CD2-ND1 3.65Å; F260-H281 HydrophobicContact CE2-CB 4.27Å; F260-H281 PolarHBondContact N-CE1 3.11Å; F260-H281 VanDerWaalsContact N-CE1 3.32Å; F263-H281 AromaticContact CD1-CD2 3.51Å; A278-H281 VanDerWaalsContact O-CB 3.31Å; A278-H281 WeakPolarHBondContact O-CB 3.45Å; A278-H281 PolarHBondContact O-N 2.93Å; H281-F283 WeakPolarHBondContact ND1-CB 3.37Å; H281-F283 PolarHBondContact ND1-N 3.11Å; H281-F283 PolarHBondContact O-N 2.79Å; H281-L284 PolarHBondContact O-N 2.99Å |
| 282 | P | 94.1 | Very high | 87.5 | Confident | 88 Ų | 88 | 64 Ų | 64 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -51.1 | -35.2 | -175.7 | -31.4 | 36.6 | 0 | 0 | 0 | 115.6 | E256 L284 A285 | E256-P282 HydrophobicContact CG-CB 4.45Å; P282-L284 PolarHBondContact O-N 3.35Å; P282-L284 VanDerWaalsContact O-N 3.14Å; P282-A285 WeakPolarHBondContact O-CB 2.81Å; P282-A285 PolarHBondContact O-N 3.01Å |
| 283 | F | 94.4 | Very high | 87.3 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -46.4 | -38.8 | 172.6 | 176.3 | -122.5 | 0 | 0 | 0 | 114.1 | E127 I130 A131 E256 F257 F260 H281 S286 | E127-F283 HydrophobicContact CG-CE2 3.79Å; I130-F283 HydrophobicContact CG2-CZ 4.09Å; A131-F283 HydrophobicContact CB-CE1 4.07Å; A131-F283 HydrophobicContact CB-CE2 4.04Å; A131-F283 HydrophobicContact CB-CZ 3.7Å; E256-F283 HydrophobicContact CB-CB 4.42Å; F257-F283 HydrophobicContact CB-CD2 3.69Å; F257-F283 HydrophobicContact CB-CE2 3.53Å; F257-F283 HydrophobicContact CB-CZ 4.29Å; F257-F283 HydrophobicContact CD2-CD1 4.35Å; F257-F283 HydrophobicContact CD2-CD2 4.1Å; F257-F283 AromaticContact CD2-CE1 3.79Å; F257-F283 HydrophobicContact CD2-CE1 3.79Å; F257-F283 AromaticContact CD2-CE2 3.51Å; F257-F283 HydrophobicContact CD2-CE2 3.51Å; F257-F283 AromaticContact CD2-CZ 3.33Å; F257-F283 HydrophobicContact CD2-CZ 3.33Å; F257-F283 HydrophobicContact CE2-CE1 4.18Å; F257-F283 HydrophobicContact CE2-CE2 4.38Å; F257-F283 AromaticContact CE2-CZ 3.8Å; F257-F283 HydrophobicContact CE2-CZ 3.8Å; F257-F283 HydrophobicContact CG-CD2 4.2Å; F257-F283 AromaticContact CG-CE2 3.61Å; F257-F283 HydrophobicContact CG-CE2 3.61Å; F257-F283 AromaticContact CG-CZ 3.89Å; F257-F283 HydrophobicContact CG-CZ 3.89Å; F260-F283 HydrophobicContact CB-CB 3.88Å; F260-F283 HydrophobicContact CB-CD1 3.81Å; F260-F283 HydrophobicContact CB-CG 3.95Å; F260-F283 AromaticContact CD1-CD1 3.71Å; F260-F283 HydrophobicContact CD1-CD1 3.71Å; F260-F283 AromaticContact CD1-CE1 3.95Å; F260-F283 HydrophobicContact CD1-CE1 3.95Å; F260-F283 HydrophobicContact CD2-CB 4.46Å; F260-F283 HydrophobicContact CD2-CD1 4.01Å; F260-F283 HydrophobicContact CE1-CD1 4.32Å; F260-F283 HydrophobicContact CE1-CE1 4.39Å; F260-F283 HydrophobicContact CG-CB 4.29Å; F260-F283 AromaticContact CG-CD1 3.54Å; F260-F283 HydrophobicContact CG-CD1 3.54Å; F260-F283 HydrophobicContact CG-CE1 4.25Å; F260-F283 HydrophobicContact CG-CG 4.18Å; H281-F283 WeakPolarHBondContact ND1-CB 3.37Å; H281-F283 PolarHBondContact ND1-N 3.11Å; H281-F283 PolarHBondContact O-N 2.79Å; F283-S286 PolarHBondContact O-OG 2.86Å |
| 284 | L | 93.4 | Very high | 87.1 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -92.3 | -10.7 | -175.3 | -56.8 | 176.4 | 0 | 0 | 0 | 113.2 | A131 V134 Q135 L138 F260 H281 P282 S286 V287 | A131-L284 HydrophobicContact CB-CD2 4.22Å; A131-L284 WeakPolarHBondContact O-CD2 3.34Å; V134-L284 HydrophobicContact CB-CD2 4.17Å; V134-L284 HydrophobicContact CG1-CD1 4.28Å; V134-L284 HydrophobicContact CG1-CD2 3.87Å; Q135-L284 HydrophobicContact CB-CD2 4.45Å; L138-L284 HydrophobicContact CD1-CD1 3.58Å; F260-L284 HydrophobicContact CE2-CD1 4.16Å; H281-L284 PolarHBondContact O-N 2.99Å; P282-L284 PolarHBondContact O-N 3.35Å; P282-L284 VanDerWaalsContact O-N 3.14Å; L284-S286 PolarHBondContact O-N 3.4Å; L284-S286 VanDerWaalsContact O-N 3.1Å; L284-V287 HydrophobicContact CD2-CG2 4.43Å; L284-V287 WeakPolarHBondContact O-CB 3.32Å; L284-V287 WeakPolarHBondContact O-CG2 3.28Å; L284-V287 PolarHBondContact O-N 3.2Å; L284-V287 VanDerWaalsContact O-N 3.11Å |
| 285 | A | 82.4 | Confident | 86.9 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -16.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P282 | P282-A285 WeakPolarHBondContact O-CB 2.81Å; P282-A285 PolarHBondContact O-N 3.01Å |
| 286 | S | 72.6 | Confident | 86.7 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -30.3 | 175.5 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | F283 L284 F288 R289 F290 | F283-S286 PolarHBondContact O-OG 2.86Å; L284-S286 PolarHBondContact O-N 3.4Å; L284-S286 VanDerWaalsContact O-N 3.1Å; S286-F288 VanDerWaalsContact C-N 3.33Å; S286-F288 PolarHBondContact O-N 3.39Å; S286-R289 PolarHBondContact O-N 3.48Å; S286-R289 VanDerWaalsContact O-N 3.12Å; S286-F290 VanDerWaalsContact O-CD2 3.28Å; S286-F290 WeakPolarHBondContact O-CD2 3.39Å |
| 287 | V | 74.5 | Confident | 86.7 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -55.9 | -42.4 | -165.4 | 172.2 | 0 | 0 | 0 | 0 | 112.9 | A131 C132 Q135 L284 R289 F290 | A131-V287 HydrophobicContact CB-CG2 3.6Å; C132-V287 HydrophobicContact CB-CG1 4.43Å; Q135-V287 HydrophobicContact CB-CG1 4.11Å; Q135-V287 HydrophobicContact CB-CG2 4.41Å; Q135-V287 HydrophobicContact CG-CG1 4.21Å; L284-V287 HydrophobicContact CD2-CG2 4.43Å; L284-V287 WeakPolarHBondContact O-CB 3.32Å; L284-V287 WeakPolarHBondContact O-CG2 3.28Å; L284-V287 PolarHBondContact O-N 3.2Å; L284-V287 VanDerWaalsContact O-N 3.11Å; V287-R289 PolarHBondContact O-N 2.95Å; V287-F290 PolarHBondContact O-N 2.84Å; V287-F290 VanDerWaalsContact O-N 3.12Å |
| 288 | F | 67.2 | Low | 86.6 | Confident | 174 Ų | 174 | 59 Ų | 59 | 76% | 0.763 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -60.9 | -12.5 | -177.2 | -65.5 | -77.9 | 0 | 0 | 0 | 114.9 | S286 | S286-F288 VanDerWaalsContact C-N 3.33Å; S286-F288 PolarHBondContact O-N 3.39Å |
| 289 | R | 67.2 | Low | 86.4 | Confident | 201 Ų | 201 | 65.9 Ų | 65.9 | 76% | 0.758 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -88.2 | -9.7 | 179.3 | -63.1 | -179.2 | 179.4 | 160.7 | 2.9 | 114 | S286 V287 | S286-R289 PolarHBondContact O-N 3.48Å; S286-R289 VanDerWaalsContact O-N 3.12Å; V287-R289 PolarHBondContact O-N 2.95Å |
| 290 | F | 69.9 | Low | 86.4 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | trans | -135.8 | 50.1 | -160 | -55.4 | -67.3 | 0 | 0 | 0 | 114.5 | S286 V287 H292 I293 | S286-F290 VanDerWaalsContact O-CD2 3.28Å; S286-F290 WeakPolarHBondContact O-CD2 3.39Å; V287-F290 PolarHBondContact O-N 2.84Å; V287-F290 VanDerWaalsContact O-N 3.12Å; F290-H292 PolarHBondContact O-N 3.11Å; F290-I293 HydrophobicContact CB-CD1 3.24Å; F290-I293 HydrophobicContact CB-CG1 3.78Å; F290-I293 HydrophobicContact CD2-CD1 4.3Å; F290-I293 HydrophobicContact CG-CD1 3.93Å; F290-I293 PolarHBondContact O-N 3.15Å; F290-I293 VanDerWaalsContact O-N 3.09Å | ||
| 291 | S | 76.3 | Confident | 86.3 | Confident | 114 Ų | 114 | 61.9 Ų | 61.9 | 80% | 0.797 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -12.9 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 292 | H | 87 | Confident | 86 | Confident | 111 Ų | 111 | 62.7 Ų | 62.7 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -13.4 | 179 | 55.6 | -95.3 | 0 | 0 | 0 | 114.6 | F290 L294 P295 E296 | F290-H292 PolarHBondContact O-N 3.11Å; H292-L294 PolarHBondContact O-N 3.03Å; H292-P295 WeakPolarHBondContact O-CD 3.4Å; H292-E296 VanDerWaalsContact O-CB 3.25Å; H292-E296 WeakPolarHBondContact O-CB 3.39Å; H292-E296 PolarHBondContact O-N 3.04Å |
| 293 | I | 91.8 | Very high | 85.8 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60 | -49.9 | -174.4 | -70.8 | 166.6 | 0 | 0 | 0 | 112.2 | D128 E129 F290 E296 L297 | D128-I293 HydrophobicContact CB-CD1 3.69Å; D128-I293 WeakPolarHBondContact OD2-CD1 3.4Å; D128-I293 WeakPolarHBondContact OD2-CG1 3.29Å; E129-I293 HydrophobicContact CB-CG2 4.16Å; E129-I293 HydrophobicContact CG-CG2 3.49Å; E129-I293 VanDerWaalsContact CG-CG2 3.49Å; F290-I293 HydrophobicContact CB-CD1 3.24Å; F290-I293 HydrophobicContact CB-CG1 3.78Å; F290-I293 HydrophobicContact CD2-CD1 4.3Å; F290-I293 HydrophobicContact CG-CD1 3.93Å; F290-I293 PolarHBondContact O-N 3.15Å; F290-I293 VanDerWaalsContact O-N 3.09Å; I293-E296 WeakPolarHBondContact O-CB 3.39Å; I293-E296 PolarHBondContact O-N 3.07Å; I293-L297 WeakPolarHBondContact O-CB 3.41Å; I293-L297 PolarHBondContact O-N 3.32Å |
| 294 | L | 93 | Very high | 85.6 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.6 | -42 | -176.3 | -59.7 | -178.9 | 0 | 0 | 0 | 112.4 | C132 I133 G165 V167 H292 E296 L297 I298 | C132-L294 HydrophobicContact CB-CD1 3.94Å; C132-L294 HydrophobicContact CB-CD2 3.88Å; C132-L294 HydrophobicContact CB-CG 3.86Å; I133-L294 HydrophobicContact CD1-CD2 4.47Å; I133-L294 HydrophobicContact CG1-CD2 3.93Å; G165-L294 WeakPolarHBondContact O-CB 3.47Å; G165-L294 WeakPolarHBondContact O-CD1 3.32Å; V167-L294 HydrophobicContact CG2-CD1 3.49Å; V167-L294 VanDerWaalsContact CG2-CD1 3.49Å; H292-L294 PolarHBondContact O-N 3.03Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 2.67Å; L294-L297 HydrophobicContact CD2-CD2 4.37Å; L294-L297 PolarHBondContact O-N 3.15Å; L294-I298 WeakPolarHBondContact O-CB 3.49Å; L294-I298 WeakPolarHBondContact O-CD1 3.34Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.47Å; L294-I298 PolarHBondContact O-N 2.92Å |
| 295 | P | 92.9 | Very high | 85.2 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.1 | -41.3 | 165.9 | -28.9 | 36 | 0 | 0 | 0 | 114.2 | H292 I298 Q299 | H292-P295 WeakPolarHBondContact O-CD 3.4Å; P295-I298 PolarHBondContact O-N 3Å; P295-Q299 WeakPolarHBondContact O-CB 3.37Å; P295-Q299 PolarHBondContact O-N 3.49Å |
| 296 | E | 93.2 | Very high | 85.2 | Confident | 68 Ų | 68 | 62 Ų | 62 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 178.1 | -171 | -119.3 | 125.2 | 0 | 0 | 111.6 | R126 H292 I293 L294 I298 Q299 R300 | R126-E296 IonicContact CZ-OE2 2.66Å; R126-E296 VanDerWaalsContact NH1-CD 3.32Å; R126-E296 IonicContact NH1-OE1 2.88Å; R126-E296 PolarHBondContact NH1-OE1 3.09Å; R126-E296 IonicContact NH1-OE2 3.81Å; R126-E296 PolarHBondContact NH1-OE2 2.93Å; R126-E296 IonicContact NH2-OE2 3.36Å; R126-E296 PolarHBondContact NH2-OE2 3.41Å; H292-E296 VanDerWaalsContact O-CB 3.25Å; H292-E296 WeakPolarHBondContact O-CB 3.39Å; H292-E296 PolarHBondContact O-N 3.04Å; I293-E296 WeakPolarHBondContact O-CB 3.39Å; I293-E296 PolarHBondContact O-N 3.07Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 2.67Å; E296-I298 VanDerWaalsContact C-N 3.34Å; E296-I298 PolarHBondContact O-N 3.4Å; E296-Q299 PolarHBondContact O-N 2.88Å; E296-R300 VanDerWaalsContact O-CB 3.28Å; E296-R300 WeakPolarHBondContact O-CB 3.21Å; E296-R300 PolarHBondContact O-N 2.97Å; E296-R300 IonicContact OE1-CZ 2.68Å; E296-R300 IonicContact OE1-NE 3.45Å; E296-R300 PolarHBondContact OE1-NE 3.2Å; E296-R300 IonicContact OE1-NH2 2.76Å; E296-R300 PolarHBondContact OE1-NH2 2.92Å; E296-R300 IonicContact OE2-NH2 2.7Å |
| 297 | L | 94.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 172.8 | 173.5 | 60 | 0 | 0 | 0 | 111.6 | V117 L125 E129 I293 L294 R300 T301 | V117-L297 HydrophobicContact CG1-CD1 3.78Å; V117-L297 HydrophobicContact CG1-CD2 4.44Å; V117-L297 HydrophobicContact CG1-CG 4.27Å; L125-L297 HydrophobicContact CD1-CD2 4.41Å; L125-L297 HydrophobicContact CD2-CD1 3.87Å; L125-L297 HydrophobicContact CD2-CD2 4.05Å; E129-L297 HydrophobicContact CB-CD2 4.29Å; E129-L297 HydrophobicContact CG-CD2 4.22Å; I293-L297 WeakPolarHBondContact O-CB 3.41Å; I293-L297 PolarHBondContact O-N 3.32Å; L294-L297 HydrophobicContact CD2-CD2 4.37Å; L294-L297 PolarHBondContact O-N 3.15Å; L297-R300 VanDerWaalsContact CD1-NH1 3.32Å; L297-T301 WeakPolarHBondContact O-CB 3.44Å; L297-T301 PolarHBondContact O-N 3.18Å; L297-T301 PolarHBondContact O-OG1 3.23Å |
| 298 | I | 93.2 | Very high | 85.4 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 177.4 | -71.3 | 166.6 | 0 | 0 | 0 | 111 | I111 T162 G165 L294 P295 E296 R300 T301 K302 | I111-I298 HydrophobicContact CD1-CB 4.33Å; I111-I298 HydrophobicContact CD1-CD1 4.29Å; I111-I298 HydrophobicContact CD1-CG1 4.01Å; I111-I298 HydrophobicContact CD1-CG2 3.51Å; T162-I298 WeakPolarHBondContact O-CD1 3.46Å; G165-I298 VanDerWaalsContact CA-CD1 3.48Å; L294-I298 WeakPolarHBondContact O-CB 3.49Å; L294-I298 WeakPolarHBondContact O-CD1 3.34Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.47Å; L294-I298 PolarHBondContact O-N 2.92Å; P295-I298 PolarHBondContact O-N 3Å; E296-I298 VanDerWaalsContact C-N 3.34Å; E296-I298 PolarHBondContact O-N 3.4Å; I298-R300 VanDerWaalsContact C-N 3.31Å; I298-R300 PolarHBondContact O-N 2.86Å; I298-T301 WeakPolarHBondContact O-CB 3.48Å; I298-T301 PolarHBondContact O-N 3.37Å; I298-K302 HydrophobicContact CG2-CD 4.47Å; I298-K302 PolarHBondContact O-N 2.87Å |
| 299 | Q | 92.8 | Very high | 84.9 | Confident | 143 Ų | 143 | 65.9 Ų | 65.9 | 67% | 0.668 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | 179.3 | -169.5 | 178.3 | 19.4 | 0 | 0 | 111.4 | P295 E296 T301 K302 A303 | P295-Q299 WeakPolarHBondContact O-CB 3.37Å; P295-Q299 PolarHBondContact O-N 3.49Å; E296-Q299 PolarHBondContact O-N 2.88Å; Q299-T301 VanDerWaalsContact C-N 3.33Å; Q299-T301 PolarHBondContact O-N 2.7Å; Q299-K302 PolarHBondContact O-N 2.79Å; Q299-A303 WeakPolarHBondContact O-CB 3.48Å; Q299-A303 PolarHBondContact O-N 3.32Å |
| 300 | R | 93.3 | Very high | 84.2 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 173.5 | -161.9 | -161.8 | -42.8 | 130.3 | 13 | 112.1 | E129 E296 L297 I298 A304 | E129-R300 IonicContact OE1-CZ 3.9Å; E129-R300 IonicContact OE1-NH1 3.66Å; E129-R300 PolarHBondContact OE1-NH1 3.38Å; E129-R300 IonicContact OE1-NH2 2.79Å; E129-R300 PolarHBondContact OE1-NH2 3.33Å; E129-R300 IonicContact OE2-NH1 3.35Å; E296-R300 VanDerWaalsContact O-CB 3.28Å; E296-R300 WeakPolarHBondContact O-CB 3.21Å; E296-R300 PolarHBondContact O-N 2.97Å; E296-R300 IonicContact OE1-CZ 2.68Å; E296-R300 IonicContact OE1-NE 3.45Å; E296-R300 PolarHBondContact OE1-NE 3.2Å; E296-R300 IonicContact OE1-NH2 2.76Å; E296-R300 PolarHBondContact OE1-NH2 2.92Å; E296-R300 IonicContact OE2-NH2 2.7Å; L297-R300 VanDerWaalsContact CD1-NH1 3.32Å; I298-R300 VanDerWaalsContact C-N 3.31Å; I298-R300 PolarHBondContact O-N 2.86Å; R300-A304 WeakPolarHBondContact O-CB 3.37Å; R300-A304 PolarHBondContact O-N 2.89Å |
| 301 | T | 92.6 | Very high | 83.3 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.4 | -45.9 | 177.5 | -53 | 0 | 0 | 0 | 0 | 111.2 | V117 V120 H121 L297 I298 Q299 A303 A304 V305 I319 | V117-T301 HydrophobicContact CG2-CG2 4.28Å; V120-T301 HydrophobicContact CB-CG2 4.24Å; V120-T301 HydrophobicContact CG1-CG2 3.95Å; V120-T301 HydrophobicContact CG2-CG2 4.43Å; H121-T301 PolarHBondContact NE2-OG1 2.82Å; L297-T301 WeakPolarHBondContact O-CB 3.44Å; L297-T301 PolarHBondContact O-N 3.18Å; L297-T301 PolarHBondContact O-OG1 3.23Å; I298-T301 WeakPolarHBondContact O-CB 3.48Å; I298-T301 PolarHBondContact O-N 3.37Å; Q299-T301 VanDerWaalsContact C-N 3.33Å; Q299-T301 PolarHBondContact O-N 2.7Å; T301-A303 VanDerWaalsContact C-N 3.34Å; T301-A303 PolarHBondContact O-N 3.4Å; T301-A304 PolarHBondContact O-N 2.99Å; T301-V305 WeakPolarHBondContact O-CG2 3.28Å; T301-V305 PolarHBondContact O-N 2.88Å; T301-I319 HydrophobicContact CG2-CD1 4.12Å; T301-I319 HydrophobicContact CG2-CG2 4.33Å |
| 302 | K | 91.2 | Very high | 82 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | 172.3 | -72.5 | -177.2 | 176.5 | -175 | 0 | 111.6 | D163 I298 Q299 A304 V305 A306 I319 L320 S323 | D163-K302 WeakPolarHBondContact OD1-CE 3.44Å; D163-K302 IonicContact OD1-NZ 3.53Å; D163-K302 PolarHBondContact OD1-NZ 2.85Å; D163-K302 IonicContact OD2-NZ 2.74Å; D163-K302 PolarHBondContact OD2-NZ 3.31Å; I298-K302 HydrophobicContact CG2-CD 4.47Å; I298-K302 PolarHBondContact O-N 2.87Å; Q299-K302 PolarHBondContact O-N 2.79Å; K302-A304 PolarHBondContact O-N 2.93Å; K302-V305 PolarHBondContact O-N 3.4Å; K302-A306 WeakPolarHBondContact O-CB 3.14Å; K302-A306 PolarHBondContact O-N 2.9Å; K302-I319 HydrophobicContact CG-CG2 3.95Å; K302-L320 HydrophobicContact CB-CD2 3.93Å; K302-L320 HydrophobicContact CG-CD2 4.13Å; K302-S323 WeakPolarHBondContact CE-OG 3.24Å; K302-S323 PolarHBondContact NZ-OG 3.48Å |
| 303 | A | 89.7 | Confident | 80.4 | Confident | 59 Ų | 59 | 62 Ų | 62 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q299 T301 V305 A306 A307 | Q299-A303 WeakPolarHBondContact O-CB 3.48Å; Q299-A303 PolarHBondContact O-N 3.32Å; T301-A303 VanDerWaalsContact C-N 3.34Å; T301-A303 PolarHBondContact O-N 3.4Å; A303-V305 VanDerWaalsContact C-N 3.35Å; A303-V305 PolarHBondContact O-N 2.92Å; A303-A306 PolarHBondContact O-N 3.2Å; A303-A307 WeakPolarHBondContact O-CB 3.5Å; A303-A307 PolarHBondContact O-N 3.46Å |
| 304 | A | 88.6 | Confident | 78.8 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.6 | -33.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | V120 R300 T301 K302 Q308 | V120-A304 HydrophobicContact CG1-CB 3.86Å; R300-A304 WeakPolarHBondContact O-CB 3.37Å; R300-A304 PolarHBondContact O-N 2.89Å; T301-A304 PolarHBondContact O-N 2.99Å; K302-A304 PolarHBondContact O-N 2.93Å; A304-Q308 WeakPolarHBondContact O-CG 3.35Å; A304-Q308 PolarHBondContact O-NE2 3.33Å |
| 305 | V | 85.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.7 | -43.2 | 173.2 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | V120 T301 K302 A303 A307 Q308 W316 I319 L320 | V120-V305 HydrophobicContact CG1-CG2 3.91Å; V120-V305 HydrophobicContact CG2-CG2 3.79Å; T301-V305 WeakPolarHBondContact O-CG2 3.28Å; T301-V305 PolarHBondContact O-N 2.88Å; K302-V305 PolarHBondContact O-N 3.4Å; A303-V305 VanDerWaalsContact C-N 3.35Å; A303-V305 PolarHBondContact O-N 2.92Å; V305-A307 VanDerWaalsContact C-N 3.29Å; V305-A307 PolarHBondContact O-N 2.79Å; V305-Q308 PolarHBondContact O-N 3.42Å; V305-W316 HydrophobicContact CB-CB 4.41Å; V305-W316 HydrophobicContact CG1-CB 3.75Å; V305-W316 HydrophobicContact CG2-CB 3.71Å; V305-W316 HydrophobicContact CG2-CG 4.48Å; V305-I319 HydrophobicContact CG2-CB 4.46Å; V305-I319 HydrophobicContact CG2-CD1 4.07Å; V305-I319 HydrophobicContact CG2-CG2 4.47Å; V305-L320 HydrophobicContact CG1-CD1 3.89Å; V305-L320 HydrophobicContact CG1-CG 4.05Å |
| 306 | A | 83.4 | Confident | 76.8 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K302 A303 Q308 L320 | K302-A306 WeakPolarHBondContact O-CB 3.14Å; K302-A306 PolarHBondContact O-N 2.9Å; A303-A306 PolarHBondContact O-N 3.2Å; A306-Q308 VanDerWaalsContact C-N 3.26Å; A306-Q308 PolarHBondContact O-N 3Å; A306-L320 HydrophobicContact CB-CD1 4.31Å |
| 307 | A | 80.8 | Confident | 76.1 | Confident | 79 Ų | 79 | 70.3 Ų | 70.3 | 65% | 0.653 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -3.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A303 V305 | A303-A307 WeakPolarHBondContact O-CB 3.5Å; A303-A307 PolarHBondContact O-N 3.46Å; V305-A307 VanDerWaalsContact C-N 3.29Å; V305-A307 PolarHBondContact O-N 2.79Å |
| 308 | Q | 70.4 | Confident | 75.4 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 24% | 0.238 | 38% | 0.375 | C | S | . | . | trans | -93.7 | 97.6 | 177.8 | -70.5 | 175 | 28.4 | 0 | 0 | 110.6 | A304 V305 A306 N310 I312 S313 | A304-Q308 WeakPolarHBondContact O-CG 3.35Å; A304-Q308 PolarHBondContact O-NE2 3.33Å; V305-Q308 PolarHBondContact O-N 3.42Å; A306-Q308 VanDerWaalsContact C-N 3.26Å; A306-Q308 PolarHBondContact O-N 3Å; Q308-N310 VanDerWaalsContact C-N 3.33Å; Q308-N310 PolarHBondContact O-N 3Å; Q308-I312 VanDerWaalsContact OE1-CG2 3.23Å; Q308-S313 WeakPolarHBondContact O-CB 3.25Å; Q308-S313 PolarHBondContact O-OG 2.87Å | ||
| 309 | E | 55.7 | Low | 74.6 | Confident | 191 Ų | 191 | 71.5 Ų | 71.5 | 89% | 0.893 | 38% | 0.375 | S | S | * | . | trans | -75.6 | -17.3 | -178.8 | -60.3 | -173.6 | 132.8 | 0 | 0 | 114.3 | ||||
| 310 | N | 53.1 | Low | 73.9 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 68% | 0.679 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -89.5 | 173.2 | -174.7 | -85.2 | -63.9 | 0 | 0 | 0 | 113.6 | Q308 I312 S313 | Q308-N310 VanDerWaalsContact C-N 3.33Å; Q308-N310 PolarHBondContact O-N 3Å; N310-I312 PolarHBondContact O-N 3.31Å; N310-S313 WeakPolarHBondContact O-CB 3.36Å; N310-S313 PolarHBondContact O-N 3.13Å |
| 311 | Q | 50.4 | Low | 73.1 | Confident | 177 Ų | 177 | 64.3 Ų | 64.3 | 83% | 0.827 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -27.4 | -176.3 | -67.3 | -177.3 | -1.4 | 0 | 0 | 115.4 | S313 Q314 | Q311-S313 PolarHBondContact O-N 2.95Å; Q311-Q314 WeakPolarHBondContact O-CB 3.05Å; Q311-Q314 PolarHBondContact O-N 2.89Å |
| 312 | I | 50.1 | Low | 72 | Confident | 108 Ų | 108 | 66.8 Ų | 66.8 | 55% | 0.554 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -37 | 174 | -51.4 | 177.2 | 0 | 0 | 0 | 111.4 | Q308 N310 Q314 K315 | Q308-I312 VanDerWaalsContact OE1-CG2 3.23Å; N310-I312 PolarHBondContact O-N 3.31Å; I312-Q314 PolarHBondContact O-N 3.28Å; I312-Q314 VanDerWaalsContact O-N 3.15Å; I312-K315 PolarHBondContact O-N 3.05Å; I312-K315 VanDerWaalsContact O-N 3.12Å |
| 313 | S | 52.3 | Low | 70.5 | Confident | 17 Ų | 17 | 67 Ų | 67 | 12% | 0.119 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -46.1 | -43.1 | 173.6 | -167.3 | 0 | 0 | 0 | 0 | 113 | Q308 N310 Q311 K315 W316 K317 | Q308-S313 WeakPolarHBondContact O-CB 3.25Å; Q308-S313 PolarHBondContact O-OG 2.87Å; N310-S313 WeakPolarHBondContact O-CB 3.36Å; N310-S313 PolarHBondContact O-N 3.13Å; Q311-S313 PolarHBondContact O-N 2.95Å; S313-K315 PolarHBondContact O-N 2.86Å; S313-W316 CarbonylContact O-C 3.48Å; S313-W316 PolarHBondContact O-N 3.42Å; S313-K317 WeakPolarHBondContact O-CG 3.45Å; S313-K317 PolarHBondContact O-N 2.72Å; S313-K317 VanDerWaalsContact OG-CE 3.29Å; S313-K317 WeakPolarHBondContact OG-CE 3.41Å |
| 314 | Q | 58.4 | Low | 68.9 | Low | 131 Ų | 131 | 68.8 Ų | 68.8 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63 | -29.6 | -174 | -57.1 | -72.8 | 30.1 | 0 | 0 | 112.8 | Q311 I312 W316 | Q311-Q314 WeakPolarHBondContact O-CB 3.05Å; Q311-Q314 PolarHBondContact O-N 2.89Å; I312-Q314 PolarHBondContact O-N 3.28Å; I312-Q314 VanDerWaalsContact O-N 3.15Å; Q314-W316 VanDerWaalsContact C-N 3.34Å |
| 315 | K | 68.8 | Low | 66.9 | Low | 108 Ų | 108 | 71.4 Ų | 71.4 | 47% | 0.47 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.9 | -32.5 | 175 | -174.5 | 177.7 | 174.6 | -174.9 | 0 | 112 | E119 I312 S313 | E119-K315 IonicContact OE1-NZ 2.67Å; E119-K315 PolarHBondContact OE1-NZ 3.43Å; E119-K315 IonicContact OE2-NZ 3.93Å; E119-K315 PolarHBondContact OE2-NZ 3.42Å; I312-K315 PolarHBondContact O-N 3.05Å; I312-K315 VanDerWaalsContact O-N 3.12Å; S313-K315 PolarHBondContact O-N 2.86Å |
| 316 | W | 76.2 | Confident | 64.7 | Low | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.015 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -107.4 | -9.4 | -170.2 | -60.6 | 133.3 | 0 | 0 | 0 | 116 | D116 E119 V120 V305 S313 Q314 K318 I319 | D116-W316 HydrophobicContact CB-CE3 4.11Å; D116-W316 HydrophobicContact CB-CH2 3.95Å; D116-W316 HydrophobicContact CB-CZ3 3.48Å; D116-W316 VanDerWaalsContact CB-CZ3 3.48Å; D116-W316 VanDerWaalsContact CG-CZ3 3.46Å; D116-W316 WeakPolarHBondContact OD1-CZ3 3.31Å; E119-W316 HydrophobicContact CB-CH2 4.16Å; E119-W316 HydrophobicContact CB-CZ2 3.67Å; E119-W316 VanDerWaalsContact CD-CZ2 3.47Å; E119-W316 HydrophobicContact CG-CZ2 3.79Å; V120-W316 HydrophobicContact CG2-CB 4.19Å; V120-W316 HydrophobicContact CG2-CD2 3.73Å; V120-W316 HydrophobicContact CG2-CE3 4.42Å; V120-W316 HydrophobicContact CG2-CG 3.6Å; V305-W316 HydrophobicContact CB-CB 4.41Å; V305-W316 HydrophobicContact CG1-CB 3.75Å; V305-W316 HydrophobicContact CG2-CB 3.71Å; V305-W316 HydrophobicContact CG2-CG 4.48Å; S313-W316 CarbonylContact O-C 3.48Å; S313-W316 PolarHBondContact O-N 3.42Å; Q314-W316 VanDerWaalsContact C-N 3.34Å; W316-K318 PolarHBondContact O-N 3.33Å; W316-I319 HydrophobicContact CB-CD1 4.45Å; W316-I319 HydrophobicContact CE3-CD1 4.32Å; W316-I319 WeakPolarHBondContact O-CB 3.33Å; W316-I319 PolarHBondContact O-N 2.92Å |
| 317 | K | 78.2 | Confident | 62.2 | Low | 69 Ų | 69 | 83.3 Ų | 83.3 | 30% | 0.3 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -50.2 | -23.6 | 174.8 | -87.2 | 176.8 | -170.6 | 178.1 | 0 | 114.9 | S313 I319 L320 Y321 | S313-K317 WeakPolarHBondContact O-CG 3.45Å; S313-K317 PolarHBondContact O-N 2.72Å; S313-K317 VanDerWaalsContact OG-CE 3.29Å; S313-K317 WeakPolarHBondContact OG-CE 3.41Å; K317-I319 PolarHBondContact O-N 3.02Å; K317-L320 PolarHBondContact O-N 2.91Å; K317-Y321 HydrophobicContact CB-CE1 3.95Å; K317-Y321 WeakPolarHBondContact O-CD1 3.36Å; K317-Y321 WeakPolarHBondContact O-CE1 3.31Å; K317-Y321 PolarHBondContact O-N 3.48Å |
| 318 | K | 78.3 | Confident | 59.6 | Low | 27 Ų | 27 | 84.1 Ų | 84.1 | 12% | 0.117 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -48.7 | -40.5 | 169.3 | 61.5 | 174.9 | 173.7 | 170.2 | 0 | 112.8 | I34 Y109 D116 W316 L320 Y321 | I34-K318 HydrophobicContact CB-CB 4.14Å; I34-K318 HydrophobicContact CB-CD 4.1Å; I34-K318 HydrophobicContact CG2-CB 3.73Å; I34-K318 WeakPolarHBondContact O-CD 3.46Å; I34-K318 PolarHBondContact O-NZ 3.11Å; Y109-K318 PolarHBondContact OH-O 3.1Å; D116-K318 IonicContact OD1-NZ 2.73Å; D116-K318 PolarHBondContact OD1-NZ 2.87Å; D116-K318 VanDerWaalsContact OD2-CE 3.29Å; D116-K318 WeakPolarHBondContact OD2-CE 3.5Å; D116-K318 IonicContact OD2-NZ 2.7Å; D116-K318 PolarHBondContact OD2-NZ 3.43Å; W316-K318 PolarHBondContact O-N 3.33Å; K318-L320 PolarHBondContact O-N 3.44Å; K318-L320 VanDerWaalsContact O-N 3.09Å; K318-Y321 HydrophobicContact CB-CD2 4.41Å; K318-Y321 HydrophobicContact CB-CE2 4.24Å; K318-Y321 PolarHBondContact O-N 2.83Å |
| 319 | I | 76.3 | Confident | 57.6 | Low | 3 Ų | 3 | 87.4 Ų | 87.4 | 2% | 0.015 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -64.3 | -16.4 | 179.9 | -66.5 | 162.6 | 0 | 0 | 0 | 112.5 | I111 V120 T301 K302 V305 W316 K317 | I111-I319 VanDerWaalsContact O-CG1 3.3Å; I111-I319 WeakPolarHBondContact O-CG1 3.41Å; V120-I319 HydrophobicContact CG2-CD1 4.08Å; T301-I319 HydrophobicContact CG2-CD1 4.12Å; T301-I319 HydrophobicContact CG2-CG2 4.33Å; K302-I319 HydrophobicContact CG-CG2 3.95Å; V305-I319 HydrophobicContact CG2-CB 4.46Å; V305-I319 HydrophobicContact CG2-CD1 4.07Å; V305-I319 HydrophobicContact CG2-CG2 4.47Å; W316-I319 HydrophobicContact CB-CD1 4.45Å; W316-I319 HydrophobicContact CE3-CD1 4.32Å; W316-I319 WeakPolarHBondContact O-CB 3.33Å; W316-I319 PolarHBondContact O-N 2.92Å; K317-I319 PolarHBondContact O-N 3.02Å |
| 320 | L | 78.4 | Confident | 56.4 | Low | 32 Ų | 32 | 83.1 Ų | 83.1 | 17% | 0.168 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -102.5 | -11.5 | -179.2 | -59 | -179.7 | 0 | 0 | 0 | 114.3 | K302 V305 A306 K317 K318 E322 S323 D324 | K302-L320 HydrophobicContact CB-CD2 3.93Å; K302-L320 HydrophobicContact CG-CD2 4.13Å; V305-L320 HydrophobicContact CG1-CD1 3.89Å; V305-L320 HydrophobicContact CG1-CG 4.05Å; A306-L320 HydrophobicContact CB-CD1 4.31Å; K317-L320 PolarHBondContact O-N 2.91Å; K318-L320 PolarHBondContact O-N 3.44Å; K318-L320 VanDerWaalsContact O-N 3.09Å; L320-E322 VanDerWaalsContact C-N 3.26Å; L320-E322 PolarHBondContact O-N 2.96Å; L320-S323 WeakPolarHBondContact O-CA 3.49Å; L320-S323 WeakPolarHBondContact O-CB 3.37Å; L320-S323 PolarHBondContact O-N 3.28Å; L320-D324 PolarHBondContact O-N 3.48Å |
| 321 | Y | 77.9 | Confident | 55.2 | Low | 36 Ų | 36 | 82 Ų | 82 | 14% | 0.141 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.6 | -168.1 | -69.3 | -17 | 0 | 0 | 0 | 116.4 | R32 I34 Y44 K317 K318 | R32-Y321 HydrophobicContact CB-CD2 4.44Å; R32-Y321 HydrophobicContact CB-CE2 3.65Å; R32-Y321 HydrophobicContact CG-CE2 4.24Å; I34-Y321 HydrophobicContact CG2-CD2 4.3Å; I34-Y321 HydrophobicContact CG2-CE2 3.97Å; Y44-Y321 HydrophobicContact CD1-CD2 4.43Å; Y44-Y321 AromaticContact CD2-CD2 3.81Å; Y44-Y321 HydrophobicContact CD2-CD2 3.81Å; Y44-Y321 HydrophobicContact CD2-CG 4.37Å; Y44-Y321 VanDerWaalsContact CE2-CB 3.5Å; Y44-Y321 HydrophobicContact CE2-CD2 4.25Å; Y44-Y321 HydrophobicContact CE2-CG 4.37Å; Y44-Y321 AromaticContact CG-CD2 3.9Å; Y44-Y321 HydrophobicContact CG-CD2 3.9Å; Y44-Y321 PolarHBondContact OH-O 2.62Å; Y44-Y321 VanDerWaalsContact OH-O 3.14Å; K317-Y321 HydrophobicContact CB-CE1 3.95Å; K317-Y321 WeakPolarHBondContact O-CD1 3.36Å; K317-Y321 WeakPolarHBondContact O-CE1 3.31Å; K317-Y321 PolarHBondContact O-N 3.48Å; K318-Y321 HydrophobicContact CB-CD2 4.41Å; K318-Y321 HydrophobicContact CB-CE2 4.24Å; K318-Y321 PolarHBondContact O-N 2.83Å |
| 322 | E | 68.9 | Low | 54.3 | Low | 55 Ų | 55 | 80 Ų | 80 | 26% | 0.257 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -23 | 168.3 | -66.1 | -166.8 | 152.4 | 0 | 0 | 112.7 | Y109 D163 L320 | Y109-E322 HydrophobicContact CD1-CG 4.2Å; Y109-E322 WeakPolarHBondContact CD1-OE1 3.42Å; Y109-E322 HydrophobicContact CE1-CG 3.96Å; D163-E322 WeakPolarHBondContact CB-OE2 3.34Å; L320-E322 VanDerWaalsContact C-N 3.26Å; L320-E322 PolarHBondContact O-N 2.96Å |
| 323 | S | 59.6 | Low | 53.5 | Low | 40 Ų | 40 | 79.9 Ų | 79.9 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -78.3 | -29.3 | -179.4 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | K302 L320 L325 N326 | K302-S323 WeakPolarHBondContact CE-OG 3.24Å; K302-S323 PolarHBondContact NZ-OG 3.48Å; L320-S323 WeakPolarHBondContact O-CA 3.49Å; L320-S323 WeakPolarHBondContact O-CB 3.37Å; L320-S323 PolarHBondContact O-N 3.28Å; S323-L325 PolarHBondContact O-N 2.93Å; S323-N326 PolarHBondContact O-N 3.17Å |
| 324 | D | 55 | Low | 52.5 | Low | 96 Ų | 96 | 84.4 Ų | 84.4 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -52.3 | -17.9 | 173.7 | -67.9 | -19.3 | 0 | 0 | 0 | 113.8 | R32 L320 | R32-D324 IonicContact NH1-OD2 3.12Å; R32-D324 PolarHBondContact NH1-OD2 3.35Å; L320-D324 PolarHBondContact O-N 3.48Å |
| 325 | L | 47.2 | Very low | 51.3 | Low | 84 Ų | 84 | 85 Ų | 85 | 44% | 0.44 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -98.1 | -22.7 | -169.7 | -59.8 | 159.2 | 0 | 0 | 0 | 113.7 | S323 H327 | S323-L325 PolarHBondContact O-N 2.93Å; L325-H327 PolarHBondContact O-N 2.68Å |
| 326 | N | 40.1 | Very low | 49.5 | Very low | 143 Ų | 143 | 85.7 Ų | 85.7 | 77% | 0.765 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -84.3 | 4.4 | -177.1 | -72.1 | -19.4 | 0 | 0 | 0 | 113.3 | S323 | S323-N326 PolarHBondContact O-N 3.17Š|
| 327 | H | 31.3 | Very low | 47.7 | Very low | 172 Ų | 172 | 90.5 Ų | 90.5 | 80% | 0.796 | 53% | 0.534 | S | S | * | . | trans | -113.1 | 76.3 | 164 | -78.9 | -4.4 | 0 | 0 | 0 | 109.9 | L325 P329 | L325-H327 PolarHBondContact O-N 2.68Å; H327-P329 WeakPolarHBondContact O-CD 3.34Å | ||
| 328 | S | 24.5 | Very low | 45.5 | Very low | 96 Ų | 96 | 96 Ų | 96 | 67% | 0.671 | 56% | 0.561 | S | S | * | * | trans | -72.6 | 113.3 | 163.3 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | S330 | S328-S330 PolarHBondContact O-N 2.99Š| ||
| 329 | P | 29.1 | Very low | 43.5 | Very low | 119 Ų | 119 | 104.4 Ų | 104.4 | 77% | 0.773 | 60% | 0.6 | S | S | * | * | trans | -72.4 | 102.1 | 172.2 | 30.4 | -31.8 | 0 | 0 | 0 | 108.1 | H327 S331 | H327-P329 WeakPolarHBondContact O-CD 3.34Å; P329-S331 PolarHBondContact O-N 3.41Å | ||
| 330 | S | 30.6 | Very low | 41.4 | Very low | 101 Ų | 101 | 109.3 Ų | 109.3 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | trans | -61.8 | 107.3 | -179.2 | -67.1 | 0 | 0 | 0 | 0 | 110.9 | S328 V332 | S328-S330 PolarHBondContact O-N 2.99Å; S330-V332 PolarHBondContact O-N 2.9Å | ||
| 331 | S | 28.4 | Very low | 39.2 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | 20 | 85.1 | 160.3 | 60.8 | 0 | 0 | 0 | 0 | 117.2 | P329 | P329-S331 PolarHBondContact O-N 3.41Š| ||
| 332 | V | 31.7 | Very low | 37.1 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | -91.1 | 97.2 | 153.1 | -179.4 | 0 | 0 | 0 | 0 | 107.5 | S330 P334 | S330-V332 PolarHBondContact O-N 2.9Å; V332-P334 HydrophobicContact CG1-CG 4.47Å | ||
| 333 | V | 31.4 | Very low | 35.5 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -110.4 | 102.2 | 173.5 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | N335 | V333-N335 PolarHBondContact O-N 2.78Š| ||
| 334 | P | 33.4 | Very low | 34.3 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -81.9 | 104.2 | 167.3 | -2.6 | 21.7 | 0 | 0 | 0 | 108.2 | V332 S336 | V332-P334 HydrophobicContact CG1-CG 4.47Å; P334-S336 PolarHBondContact O-N 3.46Å | ||
| 335 | N | 31.1 | Very low | 33.5 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | -62.6 | 122.9 | 172.2 | -82 | -14.4 | 0 | 0 | 0 | 110.2 | V333 | V333-N335 PolarHBondContact O-N 2.78Š| ||
| 336 | S | 32.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -112.6 | 70.4 | 166.3 | 65.7 | 0 | 0 | 0 | 0 | 109.9 | P334 | P334-S336 PolarHBondContact O-N 3.46Š| ||
| 337 | S | 37.6 | Very low | 32.5 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -92.8 | 135.4 | 167.3 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 338 | E | 33 | Very low | 32.6 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -65.3 | 149.8 | 176.3 | -57.3 | 165.3 | 119.5 | 0 | 0 | 111.1 | ||||
| 339 | E | 35.9 | Very low | 33.2 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 94% | 0.944 | 78% | 0.778 | S | S | * | * | -167.5 | 173 | 121.6 | -110.7 | 179 | -170.4 | 0 | 0 | 112.5 | |||||
| 340 | S | 32.5 | Very low | 33.3 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -110.6 | 159.8 | -164.6 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 341 | P | 32.1 | Very low | 33.5 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -93.7 | 131.4 | -156.5 | 33.7 | -34.5 | 0 | 0 | 0 | 115.1 | ||||
| 342 | T | 34.5 | Very low | 33.8 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -148.2 | 107 | 152.6 | 30.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 343 | S | 35.2 | Very low | 34 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 67.9 | 132.5 | 136.4 | 110.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 344 | R | 34.5 | Very low | 34.1 | Very low | 219 Ų | 219 | 141 Ų | 141 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 86.7 | 97.6 | 139.9 | -68.3 | 171.3 | -180 | -177 | 2 | 121.5 | ||||
| 345 | K | 36.2 | Very low | 34.3 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | 107.2 | 128.1 | 116.7 | -77.4 | -174.2 | 172.1 | -170.8 | 0 | 119.6 | |||||
| 346 | T | 34.4 | Very low | 34.5 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | 60.1 | 129.3 | 148.5 | 51.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 347 | G | 32.6 | Very low | 34.7 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | cis | 160.7 | 164.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 348 | F | 33.8 | Very low | 34.5 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | 68.7 | 153.6 | 176.8 | -77.1 | -106.5 | 0 | 0 | 0 | 117.9 | ||||
| 349 | V | 36.1 | Very low | 34.7 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | cis | -174.6 | 125.3 | -44 | 129.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 350 | Y | 32.8 | Very low | 34.5 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | 51.6 | 152.6 | 151.8 | -74 | -95.4 | 0 | 0 | 0 | 126.2 | ||||
| 351 | D | 34.5 | Very low | 34.7 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 70.7 | 155.1 | 145.8 | -67.1 | -6.9 | 0 | 0 | 0 | 124.1 | ||||
| 352 | D | 33.7 | Very low | 34.7 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | cis | -171.4 | 162.4 | -33.7 | -169.2 | 25.5 | 0 | 0 | 0 | 111.4 | ||||
| 353 | S | 35.8 | Very low | 34.6 | Very low | 74 Ų | 74 | 142 Ų | 142 | 52% | 0.517 | 76% | 0.762 | S | S | . | * | trans | 83.2 | 145.5 | 142.7 | 83.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 354 | N | 33.6 | Very low | 34.4 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | 71.2 | 160.3 | 143.5 | -66.6 | -28.6 | 0 | 0 | 0 | 121 | ||||
| 355 | A | 37.3 | Very low | 34.1 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | cis | 179.3 | 164.8 | -25.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 356 | D | 35.5 | Very low | 33.9 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | cis | -161.4 | -156.2 | -9.1 | -144 | -81.5 | 0 | 0 | 0 | 110.2 | ||||
| 357 | L | 36.6 | Very low | 33.7 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 77.2 | 133.6 | 170.3 | -81.4 | 63.6 | 0 | 0 | 0 | 116.3 | ||||
| 358 | E | 33.5 | Very low | 33.6 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | cis | 111.9 | 142.3 | 28.1 | -89.7 | -162.4 | 176.1 | 0 | 0 | 111.4 | ||||
| 359 | A | 36.7 | Very low | 33.3 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | cis | -157.4 | 158.6 | -0.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 360 | S | 33.6 | Very low | 33 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 52 | 109 | 143.3 | -66 | 0 | 0 | 0 | 0 | 124 | ||||
| 361 | T | 35.3 | Very low | 32.7 | Very low | 152 Ų | 152 | 140 Ų | 140 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | -161.2 | 87.4 | 115 | 9.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 362 | R | 32 | Very low | 32.4 | Very low | 228 Ų | 228 | 136.5 Ų | 136.5 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | 9.3 | 112.7 | 153 | -65 | 178.5 | 174.2 | 162.3 | -0.9 | 122.4 | ||||
| 363 | N | 33.9 | Very low | 32.2 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | 165.6 | 82.4 | 122.1 | -88.4 | -5.6 | 0 | 0 | 0 | 108.1 | |||||
| 364 | S | 29.6 | Very low | 31.8 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 58% | 0.58 | 78% | 0.778 | S | S | * | * | 63.8 | 125.6 | 71.5 | -144.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 365 | Y | 28.8 | Very low | 31.5 | Very low | 221 Ų | 221 | 142.8 Ų | 142.8 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | cis | -131.9 | 157.1 | 22.6 | -77.7 | -96.1 | 0 | 0 | 0 | 114.7 | ||||
| 366 | K | 31.1 | Very low | 31.1 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -90.5 | 150.7 | 160.2 | -69 | -179.7 | 177.8 | 179.3 | 0 | 109.8 | ||||
| 367 | P | 30.1 | Very low | 30.7 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -77.8 | 140.8 | 174.6 | 32.3 | -34.1 | 0 | 0 | 0 | 111.5 | ||||
| 368 | N | 31.4 | Very low | 30.2 | Very low | 170 Ų | 170 | 147 Ų | 147 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -163.6 | 165.8 | 155.2 | -120.8 | -28.3 | 0 | 0 | 0 | 115.4 | ||||
| 369 | L | 27.1 | Very low | 30 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | -75.6 | 163.6 | -174.5 | -156.8 | 77 | 0 | 0 | 0 | 114.2 | ||||
| 370 | V | 29.2 | Very low | 29.7 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | 133.7 | 121.9 | 142.3 | 171.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 371 | S | 28 | Very low | 29.5 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 57.2 | 142 | 156.3 | -153.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 372 | G | 28 | Very low | 29.1 | Very low | 66 Ų | 66 | 148 Ų | 148 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | cis | 157.8 | -175 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 373 | I | 28.2 | Very low | 29.1 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | 85.4 | 121.6 | 161.2 | -61 | 175.3 | 0 | 0 | 0 | 119.6 | ||||
| 374 | L | 28.5 | Very low | 28.9 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 76.2 | 125.1 | 156.4 | -107.7 | 63.7 | 0 | 0 | 0 | 123 | ||||
| 375 | R | 26.9 | Very low | 29 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 75% | 0.751 | 79% | 0.786 | S | S | * | * | 39.7 | 149.8 | 122 | -71.3 | 179.9 | 159.5 | -156.6 | 8.4 | 120.3 | |||||
| 376 | Q | 28.2 | Very low | 29 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -162.2 | 160.8 | 12.3 | -134.4 | 164.1 | -52.4 | 0 | 0 | 111.4 | ||||
| 377 | S | 28 | Very low | 29 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | 64.2 | 143.6 | 160 | -55.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 378 | Y | 25.8 | Very low | 29 | Very low | 219 Ų | 219 | 139.4 Ų | 139.4 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | cis | 68.8 | 140.6 | 48.3 | -89.9 | -93.2 | 0 | 0 | 0 | 114.8 | ||||
| 379 | E | 30.5 | Very low | 28.8 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | 70.9 | 135.2 | -175.9 | -59.3 | 168.3 | -147.6 | 0 | 0 | 114.6 | ||||
| 380 | G | 28.5 | Very low | 29 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | cis | 134.7 | 153 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 381 | S | 29.8 | Very low | 29 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 75.1 | 156.7 | -176.7 | -48 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 382 | N | 26.6 | Very low | 29 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | cis | 170.1 | 178.4 | -34.3 | -133 | -24.9 | 0 | 0 | 0 | 104.8 | ||||
| 383 | V | 33.3 | Very low | 29.1 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | 73.5 | 131.4 | 177 | -166.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 384 | G | 29.6 | Very low | 29.5 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | 169.3 | 158.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 385 | G | 31.4 | Very low | 29.6 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 84.6 | 113.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 386 | S | 28.5 | Very low | 29.7 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | 75.9 | 82.1 | 11.5 | -176.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 387 | E | 31.9 | Very low | 29.9 | Very low | 190 Ų | 190 | 154.5 Ų | 154.5 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -161.4 | 124.9 | 139.1 | -107.4 | 164.3 | -166 | 0 | 0 | 107.3 | ||||
| 388 | R | 29.5 | Very low | 30.3 | Very low | 232 Ų | 232 | 154.6 Ų | 154.6 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | cis | 72.2 | 82.2 | 45.2 | -82.1 | -167.3 | 169.6 | -175.9 | -0.6 | 116.7 | ||||
| 389 | S | 27.2 | Very low | 30.5 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 57.3 | 92.2 | 123.2 | 173.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 390 | L | 31.9 | Very low | 30.7 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -139 | 121.3 | 147.7 | -85.1 | 154.2 | 0 | 0 | 0 | 106.5 | ||||
| 391 | R | 28.1 | Very low | 30.9 | Very low | 205 Ų | 205 | 154 Ų | 154 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | 67.9 | 105.9 | 56.2 | -88.7 | -166.2 | 172.6 | -166.7 | 0.9 | 116.1 | |||||
| 392 | R | 28.7 | Very low | 30.8 | Very low | 214 Ų | 214 | 152.6 Ų | 152.6 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | 77.5 | 151.3 | 147.2 | -69.1 | -175.4 | 173.8 | 177.4 | -2.9 | 119.5 | ||||
| 393 | H | 30.1 | Very low | 31 | Very low | 146 Ų | 146 | 153.2 Ų | 153.2 | 68% | 0.676 | 81% | 0.81 | S | S | * | * | trans | 66.6 | 142.1 | 171.7 | -87.4 | -107.3 | 0 | 0 | 0 | 115.4 | ||||
| 394 | D | 36.1 | Very low | 30.9 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | cis | -124.5 | 174.6 | 26.7 | -107.8 | -43.2 | 0 | 0 | 0 | 118.3 | ||||
| 395 | L | 30.2 | Very low | 30.9 | Very low | 131 Ų | 131 | 161.9 Ų | 161.9 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | trans | -128.5 | 151.9 | -173.8 | -93.3 | 164.1 | 0 | 0 | 0 | 112.2 | ||||
| 396 | R | 29.2 | Very low | 30.9 | Very low | 233 Ų | 233 | 165.3 Ų | 165.3 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | 63.6 | 102.2 | 157.8 | -67.6 | 174.3 | 168.6 | -176.9 | -4.1 | 119.6 | ||||
| 397 | K | 33.9 | Very low | 30.8 | Very low | 214 Ų | 214 | 164.9 Ų | 164.9 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | -147.7 | 139.3 | 124.2 | -86.8 | -173.8 | -178.9 | 175.6 | 0 | 108.1 | |||||
| 398 | A | 35.4 | Very low | 30.7 | Very low | 97 Ų | 97 | 163 Ų | 163 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | cis | -146.3 | 139.1 | -22.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 399 | S | 30.4 | Very low | 30.5 | Very low | 116 Ų | 116 | 162.9 Ų | 162.9 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -85.6 | 145.5 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 400 | L | 34.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 162.8 Ų | 162.8 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -155.3 | 149.5 | 145 | -110.2 | 171.5 | 0 | 0 | 0 | 111.1 | ||||
| 401 | Q | 32.3 | Very low | 30.3 | Very low | 188 Ų | 188 | 161.7 Ų | 161.7 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | 59.5 | 74.4 | 173.4 | -60.8 | -168.3 | -1.5 | 0 | 0 | 118 | ||||
| 402 | A | 27.7 | Very low | 30.2 | Very low | 95 Ų | 95 | 158.7 Ų | 158.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -135.1 | 103.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 403 | Q | 31.4 | Very low | 30.3 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -178.6 | 101 | 161.9 | -109.8 | 172.6 | 29.4 | 0 | 0 | 113.2 | ||||
| 404 | Q | 31.6 | Very low | 30.3 | Very low | 195 Ų | 195 | 158.9 Ų | 158.9 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -175.1 | 87.7 | 147.3 | -105 | 171.3 | 5.1 | 0 | 0 | 104.7 | ||||
| 405 | R | 29.9 | Very low | 30.1 | Very low | 202 Ų | 202 | 158.3 Ų | 158.3 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | 68.3 | 126.6 | 71 | -77.8 | -169.2 | 165.5 | 145.9 | -3.3 | 114.6 | |||||
| 406 | D | 29.7 | Very low | 30.1 | Very low | 149 Ų | 149 | 156.4 Ų | 156.4 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -41.9 | 139 | 170.1 | -37.2 | -95 | 0 | 0 | 0 | 114.4 | ||||
| 407 | S | 27.4 | Very low | 30.4 | Very low | 103 Ų | 103 | 153.5 Ų | 153.5 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | 163.4 | 157.1 | 133.1 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 408 | N | 29.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | 66.6 | 127.6 | 169.9 | -48 | -15.6 | 0 | 0 | 0 | 115.1 | ||||
| 409 | R | 26.1 | Very low | 30 | Very low | 229 Ų | 229 | 149.3 Ų | 149.3 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | cis | 70.9 | 98.2 | 4.9 | -156.7 | 179.8 | -166.8 | -171.5 | 5 | 117.3 | ||||
| 410 | C | 25.1 | Very low | 30 | Very low | 108 Ų | 108 | 149.2 Ų | 149.2 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 71.4 | 165.2 | 159.3 | -62.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 411 | I | 29.2 | Very low | 29.8 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 82.4 | 78.7 | 175.1 | -45.9 | 174.1 | 0 | 0 | 0 | 115.1 | ||||
| 412 | D | 26.6 | Very low | 29.8 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | 51.6 | 160.1 | 98.2 | -42.5 | -33.5 | 0 | 0 | 0 | 121.6 | |||||
| 413 | E | 30.6 | Very low | 30 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 67.7 | 106.4 | 176.7 | -59.9 | -176.5 | 166.9 | 0 | 0 | 116.1 | ||||
| 414 | E | 29.3 | Very low | 30.3 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | 90.2 | 118.9 | 60.4 | -81 | -152.7 | 174.8 | 0 | 0 | 115 | |||||
| 415 | T | 32.9 | Very low | 30.5 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 175.9 | 82.1 | 150.5 | 18.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 416 | S | 29.4 | Very low | 30.8 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | 68.4 | 108.4 | 86.4 | 73.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 417 | H | 35 | Very low | 31.1 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | -166 | 114 | 121.5 | -104.4 | -66.7 | 0 | 0 | 0 | 111.7 | |||||
| 418 | D | 31.6 | Very low | 31.2 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 55.5 | 137.4 | 151 | -65.8 | -61.7 | 0 | 0 | 0 | 123.7 | ||||
| 419 | S | 29.6 | Very low | 31.4 | Very low | 89 Ų | 89 | 147.2 Ų | 147.2 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | cis | -179.3 | 153.9 | -38.2 | 39 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 420 | S | 31.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 70.7 | 150.2 | 164.5 | 77 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 421 | S | 29.9 | Very low | 32 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -171.5 | 178.2 | -28.5 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 422 | I | 33.1 | Very low | 32.2 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | 99.6 | 139.3 | 164.3 | -60.8 | 166.5 | 0 | 0 | 0 | 116.1 | ||||
| 423 | N | 30.7 | Very low | 32.4 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -112.3 | 178.2 | -169 | -28.8 | -53.9 | 0 | 0 | 0 | 111.4 | ||||
| 424 | D | 38.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | -179.2 | 164 | 109.7 | -85 | -12.8 | 0 | 0 | 0 | 111.1 | |||||
| 425 | D | 35.5 | Very low | 32.3 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -89 | 171 | -159.9 | -51.9 | -81 | 0 | 0 | 0 | 116.9 | ||||
| 426 | V | 36.7 | Very low | 32.1 | Very low | 151 Ų | 151 | 131 Ų | 131 | 92% | 0.915 | 76% | 0.755 | S | S | * | * | -163.5 | 148.7 | 121.6 | 159.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 427 | E | 35.9 | Very low | 32.2 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -89 | 146.7 | -162.9 | -65.8 | 175 | 96.7 | 0 | 0 | 118 | ||||
| 428 | Y | 28.8 | Very low | 31.8 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | 22.2 | 135 | 120.3 | -142.2 | -106 | 0 | 0 | 0 | 120.9 | V430 | Y428-V430 HydrophobicContact CD1-CG2 4.38Å; Y428-V430 HydrophobicContact CE1-CB 4.07Å; Y428-V430 HydrophobicContact CE1-CG2 3.66Å; Y428-V430 HydrophobicContact CE2-CG2 4.11Å | |||
| 429 | L | 34.9 | Very low | 31.8 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | -157.2 | 146.6 | 125.7 | -113.3 | 174.6 | 0 | 0 | 0 | 111.7 | |||||
| 430 | V | 30.8 | Very low | 31.9 | Very low | 98 Ų | 98 | 130 Ų | 130 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | trans | -120.8 | 145.7 | -177.5 | 168.3 | 0 | 0 | 0 | 0 | 109.4 | Y428 | Y428-V430 HydrophobicContact CD1-CG2 4.38Å; Y428-V430 HydrophobicContact CE1-CB 4.07Å; Y428-V430 HydrophobicContact CE1-CG2 3.66Å; Y428-V430 HydrophobicContact CE2-CG2 4.11Å | ||
| 431 | G | 32.4 | Very low | 31.8 | Very low | 78 Ų | 78 | 129.4 Ų | 129.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -152.9 | 126.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 432 | D | 33.8 | Very low | 31.9 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -83.9 | 143.3 | -163 | -106.8 | -65.2 | 0 | 0 | 0 | 116.8 | ||||
| 433 | S | 31.1 | Very low | 31.9 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 46.1 | 153 | 125 | -58.1 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 434 | C | 28.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | 86.5 | 93.8 | 153.7 | -66.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 435 | S | 29.3 | Very low | 31.6 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | 66 | 129.8 | 122.3 | 68.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 436 | N | 27.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 61.9 | 119.5 | 143.2 | -66.4 | -12.3 | 0 | 0 | 0 | 121.1 | ||||
| 437 | S | 30.8 | Very low | 31.3 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | 141.7 | 154.6 | 113.1 | -154.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 438 | V | 28.5 | Very low | 31 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -47.9 | 154 | -172.6 | -59.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 439 | G | 30.2 | Very low | 31.3 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 178.7 | 85.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 440 | S | 31 | Very low | 31.2 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -13 | 141.8 | 168.1 | -55.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 441 | A | 30.7 | Very low | 31.4 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 156.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 442 | S | 31.8 | Very low | 31.7 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -165.6 | 110.3 | 140.9 | 61.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 443 | S | 31.9 | Very low | 31.6 | Very low | 95 Ų | 95 | 120.3 Ų | 120.3 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | 80.1 | 122.4 | 93.6 | 71 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 444 | D | 30.3 | Very low | 32 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | 47.3 | 123.6 | 149.5 | -48.4 | -26.3 | 0 | 0 | 0 | 121 | ||||
| 445 | L | 34.3 | Very low | 32.1 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | -156.1 | 127.1 | 124.7 | -108.1 | 174.4 | 0 | 0 | 0 | 110 | |||||
| 446 | S | 29.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -97.9 | 132.2 | 167.3 | 57.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 447 | D | 35.4 | Very low | 32.6 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -139.8 | 140.8 | 170.1 | -130.1 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 448 | S | 30.3 | Very low | 32.5 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -119.8 | 112.8 | -176.4 | 64.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 449 | C | 34.7 | Very low | 32.8 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 92% | 0.919 | 81% | 0.809 | S | S | * | * | trans | -102.4 | 145.7 | 169.2 | 56 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 450 | N | 32 | Very low | 32.9 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -146.5 | 154.2 | -164.7 | -173.2 | -0.9 | 0 | 0 | 0 | 110 | ||||
| 451 | S | 34.4 | Very low | 33.5 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | 69.8 | 161.5 | 170.5 | -69.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 452 | P | 39 | Very low | 33.5 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | -136.3 | 140.3 | -23.8 | 29.6 | -9.9 | 0 | 0 | 0 | 116 | ||||
| 453 | G | 33 | Very low | 33.7 | Very low | 78 Ų | 78 | 146.7 Ų | 146.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 63.1 | 122.7 | 125.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 454 | Q | 38.1 | Very low | 33.8 | Very low | 205 Ų | 205 | 146.6 Ų | 146.6 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -138.4 | 148 | 137.3 | -109.7 | -176.6 | 6.8 | 0 | 0 | 110.5 | ||||
| 455 | R | 31 | Very low | 34.1 | Very low | 230 Ų | 230 | 145.8 Ų | 145.8 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -99.9 | 141.8 | 178.6 | -70 | 175.9 | 173.1 | 168.2 | -3.6 | 110.3 | ||||
| 456 | H | 35.9 | Very low | 34.1 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -144.8 | 150.1 | 141.1 | -122.3 | -84.9 | 0 | 0 | 0 | 110.5 | ||||
| 457 | V | 31.1 | Very low | 34.3 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -140.7 | 152.4 | -168.9 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 458 | Y | 29.4 | Very low | 34.4 | Very low | 205 Ų | 205 | 141.6 Ų | 141.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 73.2 | 152.2 | 170.3 | -118.9 | -132.9 | 0 | 0 | 0 | 114.1 | ||||
| 459 | I | 34.2 | Very low | 34.7 | Very low | 137 Ų | 137 | 141 Ų | 141 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | cis | -142.6 | 145.8 | 17.1 | -35.6 | -178.3 | 0 | 0 | 0 | 110.4 | ||||
| 460 | P | 32.5 | Very low | 34.7 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -85.6 | 142.6 | 165.4 | 33.8 | -34.1 | 0 | 0 | 0 | 113.1 | K462 | P460-K462 PolarHBondContact O-N 2.92Š| ||
| 461 | P | 43.1 | Very low | 35 | Very low | 133 Ų | 133 | 140 Ų | 140 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -87.3 | 106.8 | -179.1 | 32.5 | -33.3 | 0 | 0 | 0 | 113.4 | ||||
| 462 | K | 30.8 | Very low | 35.2 | Very low | 198 Ų | 198 | 141 Ų | 141 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -145.8 | 106.9 | 161 | -82.3 | -165.3 | 177.7 | -177.5 | 0 | 112.3 | P460 | P460-K462 PolarHBondContact O-N 2.92Š| ||
| 463 | H | 36.6 | Very low | 35.2 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -161.9 | 149.4 | 159 | -90.3 | -70.6 | 0 | 0 | 0 | 108.7 | ||||
| 464 | S | 34 | Very low | 35.8 | Very low | 93 Ų | 93 | 142 Ų | 142 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | cis | 172.3 | 125.3 | -39.1 | 46.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 465 | V | 35.7 | Very low | 35.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -141.3 | 111.5 | 170 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 466 | S | 35 | Very low | 36 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 37.7 | 124.5 | 161.8 | 62.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 467 | G | 35 | Very low | 36.1 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -150.6 | -4.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 468 | I | 36.1 | Very low | 36.4 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | 68.9 | 148.3 | 167.2 | -55.5 | 177.7 | 0 | 0 | 0 | 117.9 | ||||
| 469 | S | 37.5 | Very low | 36.9 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 61.7 | 109.5 | 163.1 | 52.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 470 | N | 35 | Very low | 37.5 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | 10.7 | 150.1 | 110.3 | -66.7 | 56.3 | 0 | 0 | 0 | 118.3 | |||||
| 471 | D | 38.6 | Very low | 37.8 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | cis | -159.5 | 159.1 | 26.9 | -138.3 | 13.4 | 0 | 0 | 0 | 116.2 | ||||
| 472 | N | 37.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | trans | 53.9 | 99.5 | 145 | -87.6 | -50.4 | 0 | 0 | 0 | 125.2 | ||||
| 473 | S | 38.8 | Very low | 37.8 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | 71.9 | 155.6 | 114.9 | 52.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 474 | P | 45.5 | Very low | 38 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | trans | -136.7 | -163.4 | -150.5 | 44.7 | -25.9 | 0 | 0 | 0 | 115.5 | ||||
| 475 | S | 37.3 | Very low | 38.1 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | 146.3 | 164.7 | 124.8 | 64.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 476 | R | 36.8 | Very low | 38.1 | Very low | 228 Ų | 228 | 123.9 Ų | 123.9 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 86.1 | 148.1 | 168 | -57.4 | -174.8 | -175.6 | -141.9 | -1.4 | 118.6 | ||||
| 477 | T | 36.7 | Very low | 38.1 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | 170.2 | 159.7 | -51.6 | 36.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 478 | F | 37.9 | Very low | 38.2 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 77% | 0.772 | 76% | 0.755 | S | S | * | * | trans | 73.5 | 148.4 | 168.4 | -55.9 | -72.1 | 0 | 0 | 0 | 117 | ||||
| 479 | D | 41.2 | Very low | 38.1 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | cis | -163.6 | 170.1 | -31.2 | -116.9 | 13.2 | 0 | 0 | 0 | 110.3 | ||||
| 480 | P | 45.1 | Very low | 38.1 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -102.8 | 159 | 176.7 | 38.8 | -31.8 | 0 | 0 | 0 | 113.9 | ||||
| 481 | D | 38.9 | Very low | 38.1 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -155.8 | -171.1 | 156.1 | -144.9 | -27.7 | 0 | 0 | 0 | 112.9 | ||||
| 482 | S | 36.7 | Very low | 38 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -138.5 | 167.4 | -150.4 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 483 | G | 37.9 | Very low | 38 | Very low | 59 Ų | 59 | 132.7 Ų | 132.7 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 170.2 | 118.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 484 | H | 40.7 | Very low | 37.9 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | 60.3 | 151.9 | 156.4 | -47.3 | -55.2 | 0 | 0 | 0 | 119.7 | ||||
| 485 | G | 35.5 | Very low | 37.8 | Very low | 78 Ų | 78 | 135.5 Ų | 135.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | 137 | 109.4 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 486 | G | 36.2 | Very low | 37.8 | Very low | 86 Ų | 86 | 136 Ų | 136 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | 174.5 | 125.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 487 | S | 35.2 | Very low | 38 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -122.5 | 151.2 | 172.7 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 488 | F | 36.3 | Very low | 37.9 | Very low | 207 Ų | 207 | 133.1 Ų | 133.1 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | trans | -150.4 | 100.8 | 164 | -110.1 | -77.9 | 0 | 0 | 0 | 110.1 | ||||
| 489 | D | 35 | Very low | 38 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -82.5 | 148.9 | 168.9 | -68.2 | -69.7 | 0 | 0 | 0 | 111.2 | ||||
| 490 | F | 37.1 | Very low | 37.7 | Very low | 209 Ų | 209 | 130.3 Ų | 130.3 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -147.2 | 132.2 | 154.9 | -133.9 | -89.8 | 0 | 0 | 0 | 111.5 | ||||
| 491 | N | 35.7 | Very low | 37.2 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 152.9 | -173.1 | -80.3 | -57.5 | 0 | 0 | 0 | 113.4 | ||||
| 492 | G | 35.4 | Very low | 37 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -159 | 14.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 493 | T | 38.8 | Very low | 37 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | 48.2 | 127.1 | 156.3 | -42.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 494 | Q | 37.2 | Very low | 37 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -70.1 | -168.2 | 170.8 | -69.4 | -168.2 | -13.2 | 0 | 0 | 115.1 | ||||
| 495 | P | 43 | Very low | 36.8 | Very low | 103 Ų | 103 | 135 Ų | 135 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | -136.4 | -153.2 | -61.2 | 40.6 | -22 | 0 | 0 | 0 | 112.9 | |||||
| 496 | S | 36.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 93.6 | 158.4 | 154.6 | -67.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 497 | P | 41.7 | Very low | 36.7 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -135.8 | 169.3 | -146.2 | 44.7 | -28.6 | 0 | 0 | 0 | 119.5 | ||||
| 498 | L | 34.3 | Very low | 36.6 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 65.5 | 169.4 | 159.6 | -70.2 | 171.6 | 0 | 0 | 0 | 118.1 | ||||
| 499 | P | 40.3 | Very low | 36.5 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -132.4 | 178.5 | -32 | 35.5 | -17.5 | 0 | 0 | 0 | 115.2 | ||||
| 500 | N | 33.9 | Very low | 36.6 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 48.3 | 120.6 | 148.9 | -84.6 | -22.2 | 0 | 0 | 0 | 122.8 | ||||
| 501 | R | 35.6 | Very low | 36.3 | Very low | 233 Ų | 233 | 137.1 Ų | 137.1 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | 179.2 | 126.4 | 100 | -110.9 | -170.6 | 173.5 | -170.3 | -1.8 | 117.9 | |||||
| 502 | S | 34.3 | Very low | 36.2 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | trans | 34.1 | 123 | 134.7 | 64.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 503 | S | 37.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | -162.9 | 161.2 | 125.2 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 504 | S | 36.1 | Very low | 35.4 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | 169.8 | 91.8 | -62.1 | -86 | 0 | 0 | 0 | 0 | 110 | |||||
| 505 | H | 38.5 | Very low | 35 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | -167.3 | 113.4 | 161.4 | -84.6 | -76.4 | 0 | 0 | 0 | 106 | ||||
| 506 | R | 32.5 | Very low | 34.4 | Very low | 223 Ų | 223 | 142.9 Ų | 142.9 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | cis | 98.5 | 133.5 | 26.8 | -168.4 | 179.7 | -117 | -101.8 | 2.2 | 113.3 | ||||
| 507 | L | 36.5 | Very low | 34.1 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | 102.1 | 145.6 | 174.1 | -58.8 | 175.4 | 0 | 0 | 0 | 115.9 | ||||
| 508 | S | 32.8 | Very low | 33.8 | Very low | 79 Ų | 79 | 146 Ų | 146 | 55% | 0.552 | 78% | 0.776 | S | S | * | * | -168.8 | 142.7 | -55.5 | -126.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 509 | E | 34.2 | Very low | 33.8 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 54.4 | 151.3 | 148.7 | -69.8 | 145.1 | 136.5 | 0 | 0 | 122.3 | ||||
| 510 | G | 36 | Very low | 33.4 | Very low | 78 Ų | 78 | 148.2 Ų | 148.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 157.5 | 65.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 511 | D | 31.7 | Very low | 33.5 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -76.3 | 162 | 178.2 | -73 | -72.8 | 0 | 0 | 0 | 115 | ||||
| 512 | Y | 33.8 | Very low | 33.1 | Very low | 222 Ų | 222 | 146 Ų | 146 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | 157.1 | 97.9 | 117.4 | -88.2 | -71 | 0 | 0 | 0 | 116.3 | |||||
| 513 | S | 28.3 | Very low | 32.8 | Very low | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 8.1 | 140.8 | 134.7 | -80.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 514 | I | 28.5 | Very low | 32.5 | Very low | 147 Ų | 147 | 150 Ų | 150 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | 99.7 | 147.9 | 125.3 | -77.9 | 170 | 0 | 0 | 0 | 122.6 | |||||
| 515 | T | 28.4 | Very low | 32 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | 88.2 | 100.2 | 159.7 | 39 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 516 | Q | 30.7 | Very low | 31.7 | Very low | 192 Ų | 192 | 152 Ų | 152 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | 94.8 | 143.2 | 118.9 | -73.3 | -178.6 | 13.2 | 0 | 0 | 123.6 | |||||
| 517 | H | 31.7 | Very low | 31.5 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -82.1 | 159.2 | -177.4 | -117 | -49.2 | 0 | 0 | 0 | 111.9 | ||||
| 518 | P | 35 | Very low | 31 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | -145.5 | 173.9 | 73.3 | 41.1 | -23.2 | 0 | 0 | 0 | 113.9 | |||||
| 519 | Q | 33.2 | Very low | 30.8 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | cis | -147 | -131.9 | -12.5 | -128.3 | -179.6 | 14.4 | 0 | 0 | 110.4 | ||||
| 520 | N | 33.5 | Very low | 30.4 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -147.8 | 166.9 | 177.1 | -158.5 | -11 | 0 | 0 | 0 | 108 | R522 | N520-R522 PolarHBondContact OD1-N 3.03Š| ||
| 521 | P | 35.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | -152.5 | 157.4 | 86.7 | 41 | -22.7 | 0 | 0 | 0 | 117.5 | |||||
| 522 | R | 26.4 | Very low | 30 | Very low | 231 Ų | 231 | 145.3 Ų | 145.3 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | 68.2 | 84.9 | 159.6 | -63.7 | 173.7 | -172 | -175 | 2.6 | 118 | N520 | N520-R522 PolarHBondContact OD1-N 3.03Š| ||
| 523 | L | 28.8 | Very low | 29.6 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | trans | -101.4 | 150.3 | 133.3 | -138.8 | 79.3 | 0 | 0 | 0 | 109.1 | ||||
| 524 | V | 31.2 | Very low | 29.7 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | trans | -77.9 | 132.3 | -175.3 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | I526 | V524-I526 HydrophobicContact CB-CG1 4.49Å; V524-I526 HydrophobicContact CG1-CG1 4Å; V524-I526 PolarHBondContact O-N 3.39Å | ||
| 525 | Q | 24.8 | Very low | 29.7 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -75.5 | 82.7 | -178.7 | -173.4 | 176 | 2.7 | 0 | 0 | 111.1 | N527 | Q525-N527 PolarHBondContact O-N 3.37Š| ||
| 526 | I | 31.2 | Very low | 29.7 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -92.1 | 86.1 | 177.3 | -55.3 | -177.2 | 0 | 0 | 0 | 110.1 | V524 S528 | V524-I526 HydrophobicContact CB-CG1 4.49Å; V524-I526 HydrophobicContact CG1-CG1 4Å; V524-I526 PolarHBondContact O-N 3.39Å; I526-S528 PolarHBondContact O-N 3.31Å | ||
| 527 | N | 28.5 | Very low | 29.5 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 58% | 0.583 | 74% | 0.741 | S | S | * | * | trans | 32.3 | 78.7 | 155.1 | -62.3 | -8 | 0 | 0 | 0 | 118.3 | Q525 H529 L530 | Q525-N527 PolarHBondContact O-N 3.37Å; N527-H529 PolarHBondContact O-N 2.97Å; N527-H529 VanDerWaalsContact O-N 3.12Å; N527-L530 HydrophobicContact CB-CD1 4.17Å | ||
| 528 | S | 27.5 | Very low | 29.3 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -69.4 | 9.4 | 157.7 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | I526 | I526-S528 PolarHBondContact O-N 3.31Š|
| 529 | H | 26.7 | Very low | 28.9 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.745 | 74% | 0.743 | S | S | * | * | trans | -132.2 | 71.7 | -176.8 | -67.9 | -80.6 | 0 | 0 | 0 | 110.8 | N527 | N527-H529 PolarHBondContact O-N 2.97Å; N527-H529 VanDerWaalsContact O-N 3.12Å | ||
| 530 | L | 26.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -141.8 | 9.7 | 173.1 | -109.5 | 171.7 | 0 | 0 | 0 | 114.6 | N527 | N527-L530 HydrophobicContact CB-CD1 4.17Š|
| 531 | Y | 30.8 | Very low | 28.5 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 53% | 0.525 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -131.5 | 4 | -176.4 | -94.2 | -71.6 | 0 | 0 | 0 | 116.4 | K843 | Y531-K843 WeakPolarHBondContact OH-CE 3.46Å; Y531-K843 PolarHBondContact OH-NZ 2.7Å |
| 532 | A | 27.4 | Very low | 28.1 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -86.3 | -4.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 533 | N | 26.6 | Very low | 28.2 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -110.1 | 33.2 | -171.8 | -71 | 23.5 | 0 | 0 | 0 | 113.4 | ||
| 534 | M | 30.2 | Very low | 28.4 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 80% | 0.803 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -126.8 | 4.2 | 171.7 | -80 | -170.6 | 160.3 | 0 | 0 | 114.3 | ||
| 535 | E | 28.6 | Very low | 28.1 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -99.7 | 3.9 | 174 | -65.2 | 179.9 | 137.8 | 0 | 0 | 112.6 | ||
| 536 | S | 27.8 | Very low | 28.3 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -115.1 | 7.4 | -172.3 | 67.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 537 | N | 26.7 | Very low | 28.1 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -122.4 | 29.5 | -177 | -91.2 | 25.2 | 0 | 0 | 0 | 112.8 | ||||
| 538 | A | 27.9 | Very low | 28.1 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -75.9 | -27.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 539 | D | 27.3 | Very low | 28.1 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -106.1 | 73.3 | -171 | -60.9 | -54 | 0 | 0 | 0 | 112.7 | ||
| 540 | S | 26.1 | Very low | 28.2 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | trans | -178 | 42.4 | 161.7 | 38.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 541 | H | 30.4 | Very low | 28.4 | Very low | 185 Ų | 185 | 128 Ų | 128 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | -121.6 | 71.1 | 164.1 | -78.4 | -49.6 | 0 | 0 | 0 | 112.9 | Y543 | H541-Y543 PolarHBondContact O-N 3.2Š| ||
| 542 | V | 28.8 | Very low | 28.3 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | trans | -67.1 | 121 | 163.9 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 543 | Y | 28.8 | Very low | 28.4 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -141.4 | 128 | 160.3 | -106.9 | -81.6 | 0 | 0 | 0 | 111.1 | H541 | H541-Y543 PolarHBondContact O-N 3.2Š| ||
| 544 | H | 31.4 | Very low | 28.6 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | 45.4 | 85.3 | 177.8 | -68.5 | -61.1 | 0 | 0 | 0 | 118.3 | I546 | H544-I546 PolarHBondContact O-N 2.77Š| ||
| 545 | S | 25.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -58.9 | 125.1 | 133.7 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 546 | I | 29.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | trans | -93.4 | 108.7 | 168.2 | -70.8 | 168.4 | 0 | 0 | 0 | 106.9 | H544 V548 | H544-I546 PolarHBondContact O-N 2.77Å; I546-V548 PolarHBondContact O-N 2.92Å | ||
| 547 | V | 26.8 | Very low | 28.6 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | trans | -60.4 | 132.4 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 548 | V | 28.6 | Very low | 28.7 | Very low | 58 Ų | 58 | 132.8 Ų | 132.8 | 35% | 0.352 | 75% | 0.746 | S | S | . | * | trans | -102.9 | 88.3 | 177.6 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | I546 S550 | I546-V548 PolarHBondContact O-N 2.92Å; V548-S550 PolarHBondContact O-N 2.97Å; V548-S550 VanDerWaalsContact O-N 3.14Å; V548-S550 PolarHBondContact O-OG 2.9Å | ||
| 549 | D | 27.6 | Very low | 28.8 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | trans | -55.6 | 121.9 | -179.5 | -66.9 | -35.4 | 0 | 0 | 0 | 111.5 | K1020 | D549-K1020 PolarHBondContact O-NZ 3.06Š| ||
| 550 | S | 27.9 | Very low | 28.8 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | -129.7 | 93.2 | -175 | -61.7 | 0 | 0 | 0 | 0 | 107 | V548 | V548-S550 PolarHBondContact O-N 2.97Å; V548-S550 VanDerWaalsContact O-N 3.14Å; V548-S550 PolarHBondContact O-OG 2.9Å | ||
| 551 | N | 32.2 | Very low | 28.9 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -115.6 | 148.3 | 175.1 | -90.5 | -29.1 | 0 | 0 | 0 | 110.3 | ||||
| 552 | N | 29.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -99.4 | 172.2 | -156.7 | -126.5 | -4.9 | 0 | 0 | 0 | 113.5 | ||||
| 553 | E | 28.3 | Very low | 29 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -70.8 | 143.6 | 178 | -55.6 | 175.8 | 131.2 | 0 | 0 | 112.7 | ||||
| 554 | S | 31.3 | Very low | 29.1 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -168.1 | 139.7 | 147.1 | 45.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 555 | G | 28.7 | Very low | 29 | Very low | 72 Ų | 72 | 124.5 Ų | 124.5 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | 82.1 | 67.8 | 124.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 556 | H | 30 | Very low | 29.3 | Very low | 170 Ų | 170 | 125 Ų | 125 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | trans | 56 | 123.6 | 134.5 | -86.7 | -1.7 | 0 | 0 | 0 | 124.3 | ||||
| 557 | R | 27.8 | Very low | 29.2 | Very low | 228 Ų | 228 | 124.4 Ų | 124.4 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | 71.5 | 109.8 | 129.3 | -67.7 | -177.7 | 170 | -137.4 | -1.8 | 122.5 | |||||
| 558 | G | 28.1 | Very low | 29.5 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | 92.5 | 156 | 140.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 559 | S | 30.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | cis | -161.8 | 140 | -7.2 | -172.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 560 | T | 29 | Very low | 30 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | 64.5 | 151.4 | 148.6 | 41.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 561 | C | 27.7 | Very low | 30.1 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 68% | 0.676 | 80% | 0.802 | S | S | * | * | trans | 63.8 | 112.7 | 168.1 | -63.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 562 | E | 29.8 | Very low | 29.9 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 86.5 | 115.8 | 54.1 | -75.6 | 176.9 | 139.7 | 0 | 0 | 113.9 | |||||
| 563 | T | 30.7 | Very low | 30.1 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 176.4 | 135.3 | 113.5 | -73.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 564 | V | 30.7 | Very low | 30 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -6.6 | 143.5 | 153.4 | -170.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 565 | G | 30.2 | Very low | 30 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | 155.7 | -164.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 566 | S | 31.7 | Very low | 30.1 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 63.2 | 122.9 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 567 | S | 27.2 | Very low | 30 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | 83.8 | 95.6 | 33.5 | 85.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 568 | V | 32.2 | Very low | 30.1 | Very low | 148 Ų | 148 | 125 Ų | 125 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -141.4 | 146.7 | 153.1 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 569 | T | 30.8 | Very low | 30.2 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -101.3 | 166.4 | -175 | 32.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 570 | P | 36 | Very low | 30.1 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -85.2 | 161.4 | -165.9 | 34.6 | -37.5 | 0 | 0 | 0 | 114.4 | ||||
| 571 | T | 30.6 | Very low | 30.2 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | -123.6 | 160.6 | 172.1 | 45.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 572 | K | 27.5 | Very low | 30.1 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | -127.3 | 135.7 | -172.8 | 176.6 | -155.7 | -176.8 | -127.9 | 0 | 108.7 | D574 | K572-D574 WeakPolarHBondContact CE-OD2 3.45Å; K572-D574 VanDerWaalsContact NZ-CG 3.34Å; K572-D574 IonicContact NZ-OD1 2.73Å; K572-D574 PolarHBondContact NZ-OD1 2.9Å; K572-D574 VanDerWaalsContact NZ-OD1 3.16Å; K572-D574 IonicContact NZ-OD2 3.84Å; K572-D574 PolarHBondContact NZ-OD2 3.12Å | ||
| 573 | T | 33.1 | Very low | 30.1 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -138.3 | 124.2 | 169.2 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 574 | D | 27.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 60% | 0.599 | 77% | 0.772 | S | S | * | * | trans | -82.5 | -157.2 | 169.9 | -53.6 | -91.2 | 0 | 0 | 0 | 110.4 | K572 | K572-D574 WeakPolarHBondContact CE-OD2 3.45Å; K572-D574 VanDerWaalsContact NZ-CG 3.34Å; K572-D574 IonicContact NZ-OD1 2.73Å; K572-D574 PolarHBondContact NZ-OD1 2.9Å; K572-D574 VanDerWaalsContact NZ-OD1 3.16Å; K572-D574 IonicContact NZ-OD2 3.84Å; K572-D574 PolarHBondContact NZ-OD2 3.12Å | ||
| 575 | I | 31.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 82 | 129.8 | 165.5 | -58.8 | 166.4 | 0 | 0 | 0 | 115.8 | ||||
| 576 | T | 30.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | cis | -159.2 | 156.3 | -16.1 | 25.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 577 | K | 27.6 | Very low | 29.1 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | trans | 27 | 133.7 | 142.1 | -57.2 | 179.1 | 179 | -178.4 | 0 | 121.1 | ||||
| 578 | G | 29.9 | Very low | 29.3 | Very low | 68 Ų | 68 | 145.2 Ų | 145.2 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -161.4 | 134.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 579 | E | 31.5 | Very low | 29 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -38.3 | 137.1 | -176.4 | -71.3 | 96 | -148.7 | 0 | 0 | 116.4 | ||||
| 580 | T | 26.2 | Very low | 28.8 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | 56.9 | 101.1 | 62.9 | 67.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 581 | E | 32 | Very low | 28.6 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -151.1 | 153.4 | 136.1 | -133.5 | 177.1 | -135.3 | 0 | 0 | 111.6 | ||||
| 582 | S | 25.2 | Very low | 28.4 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -138 | 133.1 | -175.2 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 583 | F | 30 | Very low | 28.4 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 90% | 0.899 | 75% | 0.749 | S | S | * | * | trans | -144 | 169.2 | 160.7 | -114.5 | -81.1 | 0 | 0 | 0 | 112.8 | ||||
| 584 | S | 25.9 | Very low | 28.2 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 44% | 0.441 | 75% | 0.745 | S | S | . | * | trans | -138.4 | 159.4 | -138.7 | 73.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 585 | R | 25.2 | Very low | 28.3 | Very low | 208 Ų | 208 | 137.5 Ų | 137.5 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 68.6 | 133.4 | 159.3 | -57.2 | 173 | -176.7 | 104.8 | -9 | 116.3 | ||||
| 586 | F | 28.4 | Very low | 28.2 | Very low | 208 Ų | 208 | 138.2 Ų | 138.2 | 91% | 0.912 | 75% | 0.754 | S | S | * | * | -143.4 | 143.4 | 98.1 | -109.4 | -77.5 | 0 | 0 | 0 | 110.3 | |||||
| 587 | S | 23.2 | Very low | 28 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -113.4 | 143.9 | 176.4 | -49.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 588 | I | 30.2 | Very low | 28 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -130.8 | 134 | 162.5 | -62.7 | -176.4 | 0 | 0 | 0 | 107.8 | ||||
| 589 | T | 27.1 | Very low | 27.7 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | -105.4 | 174 | -173.9 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 590 | S | 26.9 | Very low | 27.5 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | trans | -57.8 | 152.2 | 176.4 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 591 | H | 30.5 | Very low | 27.5 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | -176.7 | 128 | 114.7 | -90.5 | -51.4 | 0 | 0 | 0 | 109.6 | |||||
| 592 | N | 28.2 | Very low | 27.1 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | 63.3 | 135.2 | 98.1 | -69.9 | 73.1 | 0 | 0 | 0 | 114.3 | |||||
| 593 | D | 27.5 | Very low | 27.1 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | cis | -161.4 | -179.5 | -8 | -141.8 | -49.7 | 0 | 0 | 0 | 111.2 | ||||
| 594 | S | 27.5 | Very low | 26.9 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -25.5 | 154.2 | 158.9 | -53.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 595 | G | 29.2 | Very low | 26.9 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | cis | 146.3 | -163.3 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 596 | M | 29.1 | Very low | 27.1 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | trans | 76.9 | 113.9 | 157.3 | -87.2 | -158.9 | 150.9 | 0 | 0 | 123.6 | ||||
| 597 | I | 27.6 | Very low | 26.9 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | 52.9 | 162.9 | 141.6 | 35.7 | 169.2 | 0 | 0 | 0 | 120.9 | ||||
| 598 | T | 26.6 | Very low | 27.1 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | cis | -138.1 | 144 | 13.7 | 41.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 599 | E | 24.4 | Very low | 27 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 62.5 | 155.7 | 137.3 | -64.3 | -168.3 | 139.4 | 0 | 0 | 125.4 | ||||
| 600 | S | 25.9 | Very low | 26.9 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | trans | 55.5 | 101.3 | 152.9 | -65.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 601 | S | 26.9 | Very low | 27 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | -177.3 | 134.9 | 70.1 | -71.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 602 | R | 24.2 | Very low | 26.8 | Very low | 237 Ų | 237 | 125.7 Ų | 125.7 | 89% | 0.894 | 73% | 0.734 | S | S | * | * | trans | 16.6 | 132.7 | 143.4 | -58.2 | 177.9 | 175.6 | 174.1 | -1.5 | 120.2 | ||||
| 603 | L | 25.1 | Very low | 26.6 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 92% | 0.916 | 74% | 0.74 | S | S | * | * | trans | 100.8 | 130.2 | 155.9 | -58.4 | 169.7 | 0 | 0 | 0 | 119 | ||||
| 604 | A | 25.9 | Very low | 26.6 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | 63.8 | 65.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 605 | S | 26.2 | Very low | 26.5 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | trans | -117.9 | 137.1 | 143.2 | -71 | 0 | 0 | 0 | 0 | 108.5 | E607 | S605-E607 PolarHBondContact O-N 3.09Š| ||
| 606 | V | 29 | Very low | 26.4 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | trans | -82.5 | 103.8 | 169.6 | 174.7 | 0 | 0 | 0 | 0 | 107.5 | I608 A1066 | V606-I608 PolarHBondContact O-N 2.93Å; V606-A1066 HydrophobicContact CG1-CB 3.98Å; V606-A1066 HydrophobicContact CG2-CB 4.48Å | ||
| 607 | E | 24.3 | Very low | 26.4 | Very low | 154 Ų | 154 | 125 Ų | 125 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -67 | 101.3 | 171.3 | -68.4 | 178.5 | 157.4 | 0 | 0 | 109.4 | S605 N609 | S605-E607 PolarHBondContact O-N 3.09Å; E607-N609 PolarHBondContact O-N 3.23Å | ||
| 608 | I | 27.8 | Very low | 26.4 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 53% | 0.533 | 72% | 0.719 | S | S | . | * | trans | -71.1 | 81 | 162.6 | -57 | 179.4 | 0 | 0 | 0 | 106.4 | V606 S610 | V606-I608 PolarHBondContact O-N 2.93Å; I608-S610 PolarHBondContact O-N 3.47Å; I608-S610 PolarHBondContact O-OG 3.42Å | ||
| 609 | N | 26.8 | Very low | 26.3 | Very low | 132 Ų | 132 | 116.6 Ų | 116.6 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | -57.9 | 99.5 | 175.6 | -89.2 | -59.5 | 0 | 0 | 0 | 108.8 | E607 P611 | E607-N609 PolarHBondContact O-N 3.23Å; N609-P611 WeakPolarHBondContact O-CD 3.3Å | ||
| 610 | S | 26.5 | Very low | 26.5 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | trans | -75.7 | 120.7 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 107.9 | I608 A612 | I608-S610 PolarHBondContact O-N 3.47Å; I608-S610 PolarHBondContact O-OG 3.42Å; S610-A612 PolarHBondContact O-N 2.85Å | ||
| 611 | P | 28.1 | Very low | 26.6 | Very low | 120 Ų | 120 | 114.3 Ų | 114.3 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | -62.9 | 113.8 | 171.6 | 26.1 | -32.3 | 0 | 0 | 0 | 108.2 | N609 D613 | N609-P611 WeakPolarHBondContact O-CD 3.3Å; P611-D613 PolarHBondContact O-N 3.38Å | ||
| 612 | A | 25.4 | Very low | 26.6 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 87% | 0.868 | 67% | 0.667 | S | S | * | * | trans | -79.4 | 70.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S610 | S610-A612 PolarHBondContact O-N 2.85Š| ||
| 613 | D | 25.3 | Very low | 27.1 | Very low | 144 Ų | 144 | 102.2 Ų | 102.2 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | trans | -143.3 | 39.8 | -168 | -122.3 | -21 | 0 | 0 | 0 | 114.3 | P611 | P611-D613 PolarHBondContact O-N 3.38Š| ||
| 614 | I | 27.5 | Very low | 27.5 | Very low | 125 Ų | 125 | 96 Ų | 96 | 64% | 0.641 | 60% | 0.597 | S | S | * | * | trans | -132 | 62.6 | 165.6 | -44.2 | -179.7 | 0 | 0 | 0 | 110.4 | S616 | I614-S616 PolarHBondContact O-N 3.45Š| ||
| 615 | S | 25.9 | Very low | 28.2 | Very low | 106 Ų | 106 | 94.6 Ų | 94.6 | 74% | 0.741 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -80.9 | 111.1 | 163.1 | 58.6 | 0 | 0 | 0 | 0 | 109.7 | S617 | S615-S617 PolarHBondContact O-N 3.36Š|
| 616 | S | 27.2 | Very low | 28.5 | Very low | 107 Ų | 107 | 92 Ų | 92 | 75% | 0.748 | 56% | 0.555 | S | S | * | * | trans | 43.4 | 60 | 167.8 | 59.1 | 0 | 0 | 0 | 0 | 116.2 | I614 A618 | I614-S616 PolarHBondContact O-N 3.45Å; S616-A618 PolarHBondContact O-N 2.89Å | ||
| 617 | S | 27.5 | Very low | 28.8 | Very low | 104 Ų | 104 | 90.4 Ų | 90.4 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | trans | -70.3 | 62.7 | 148.1 | -167.9 | 0 | 0 | 0 | 0 | 109.1 | S615 G619 | S615-S617 PolarHBondContact O-N 3.36Å; S617-G619 PolarHBondContact O-N 2.9Å | ||
| 618 | A | 27.3 | Very low | 29.3 | Very low | 56 Ų | 56 | 87.3 Ų | 87.3 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | trans | -69.7 | 73.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | S616 H620 | S616-A618 PolarHBondContact O-N 2.89Å; A618-H620 PolarHBondContact O-N 3.37Å; A618-H620 PolarHBondContact O-ND1 2.98Å | ||
| 619 | G | 26.4 | Very low | 29.5 | Very low | 19 Ų | 19 | 83.3 Ų | 83.3 | 20% | 0.196 | 51% | 0.51 | C | S | . | . | trans | -66.1 | 84.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110 | S617 F621 | S617-G619 PolarHBondContact O-N 2.9Å; G619-F621 PolarHBondContact O-N 3.44Å | ||
| 620 | H | 28 | Very low | 29.8 | Very low | 171 Ų | 171 | 82.4 Ų | 82.4 | 79% | 0.792 | 50% | 0.503 | S | S | * | . | trans | -46.7 | 110.2 | -179.8 | -85.1 | 59.1 | 0 | 0 | 0 | 108.3 | A618 A622 | A618-H620 PolarHBondContact O-N 3.37Å; A618-H620 PolarHBondContact O-ND1 2.98Å; H620-A622 PolarHBondContact O-N 3.39Å | ||
| 621 | F | 26.9 | Very low | 30.2 | Very low | 56 Ų | 56 | 85.3 Ų | 85.3 | 25% | 0.246 | 50% | 0.499 | C | S | . | . | trans | -61.1 | 114.6 | 176 | -179.6 | -125.9 | 0 | 0 | 0 | 107.3 | G619 T623 L853 M1041 | G619-F621 PolarHBondContact O-N 3.44Å; F621-T623 HydrophobicContact CD1-CG2 3.58Å; F621-T623 HydrophobicContact CE1-CG2 3.34Å; F621-T623 HydrophobicContact CZ-CG2 4.22Å; F621-T623 PolarHBondContact O-N 3.48Å; F621-T623 PolarHBondContact O-OG1 2.94Å; F621-L853 HydrophobicContact CE1-CD1 3.85Å; F621-L853 HydrophobicContact CZ-CD1 3.8Å; F621-L853 HydrophobicContact CZ-CD2 4.33Å; F621-M1041 HydrophobicContact CE2-CB 3.75Å; F621-M1041 HydrophobicContact CE2-CG 3.93Å; F621-M1041 HydrophobicContact CZ-CB 4.11Å; F621-M1041 HydrophobicContact CZ-CG 4.29Å | ||
| 622 | A | 28.5 | Very low | 30.3 | Very low | 76 Ų | 76 | 82.5 Ų | 82.5 | 63% | 0.628 | 49% | 0.492 | S | S | * | . | trans | -78.6 | 58.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H620 L624 | H620-A622 PolarHBondContact O-N 3.39Å; A622-L624 PolarHBondContact O-N 2.84Å | ||
| 623 | T | 33.4 | Very low | 30.8 | Very low | 18 Ų | 18 | 82.9 Ų | 82.9 | 11% | 0.11 | 48% | 0.479 | C | S | . | . | trans | -66.3 | 85.2 | 165.1 | 38.6 | 0 | 0 | 0 | 0 | 108.8 | F621 K625 | F621-T623 HydrophobicContact CD1-CG2 3.58Å; F621-T623 HydrophobicContact CE1-CG2 3.34Å; F621-T623 HydrophobicContact CZ-CG2 4.22Å; F621-T623 PolarHBondContact O-N 3.48Å; F621-T623 PolarHBondContact O-OG1 2.94Å; T623-K625 PolarHBondContact O-N 2.69Å | ||
| 624 | L | 34.8 | Very low | 30.8 | Very low | 46 Ų | 46 | 81.4 Ų | 81.4 | 24% | 0.241 | 48% | 0.48 | C | S | . | . | trans | -35 | 129.6 | 161.7 | -56.6 | 177.3 | 0 | 0 | 0 | 108 | A622 Q628 F1033 | A622-L624 PolarHBondContact O-N 2.84Å; L624-Q628 HydrophobicContact CB-CB 4.23Å; L624-Q628 HydrophobicContact CB-CG 4.39Å; L624-F1033 HydrophobicContact CB-CE2 3.81Å; L624-F1033 HydrophobicContact CB-CZ 3.9Å; L624-F1033 HydrophobicContact CD1-CE2 4.06Å | ||
| 625 | K | 39.5 | Very low | 31 | Very low | 61 Ų | 61 | 82.7 Ų | 82.7 | 27% | 0.265 | 49% | 0.487 | S | S | . | . | trans | -60.3 | 152 | -172.5 | -58.1 | 168.9 | -167.1 | -173.9 | 0 | 108.3 | N232 M234 T623 T627 Q628 | N232-K625 VanDerWaalsContact OD1-CE 3.23Å; N232-K625 WeakPolarHBondContact OD1-CE 3.21Å; N232-K625 PolarHBondContact OD1-NZ 3.17Å; M234-K625 HydrophobicContact CG-CD 3.95Å; T623-K625 PolarHBondContact O-N 2.69Å; K625-T627 PolarHBondContact O-N 2.64Å; K625-Q628 WeakPolarHBondContact O-CA 3.41Å; K625-Q628 WeakPolarHBondContact O-CB 3.4Å; K625-Q628 PolarHBondContact O-N 2.9Å | ||
| 626 | T | 33 | Very low | 31.2 | Very low | 32 Ų | 32 | 85.3 Ų | 85.3 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -53 | -32.6 | 173 | -42.2 | 0 | 0 | 0 | 0 | 111.4 | Q628 M629 | T626-Q628 PolarHBondContact O-N 3.43Å; T626-M629 HydrophobicContact CG2-CE 3.96Å; T626-M629 HydrophobicContact CG2-SD 4.03Å; T626-M629 WeakPolarHBondContact O-CB 3.42Å; T626-M629 PolarHBondContact O-N 3.06Å; T626-M629 VanDerWaalsContact O-N 3.1Å |
| 627 | T | 33.9 | Very low | 31.2 | Very low | 66 Ų | 66 | 86.8 Ų | 86.8 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -51.7 | -18.8 | 168.1 | -30.8 | 0 | 0 | 0 | 0 | 115.2 | K625 R631 | K625-T627 PolarHBondContact O-N 2.64Å; T627-R631 WeakPolarHBondContact O-CG 3.5Å |
| 628 | Q | 35.7 | Very low | 31.4 | Very low | 90 Ų | 90 | 85.4 Ų | 85.4 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -103.9 | -14.9 | -174.3 | -154 | 163.9 | 3.9 | 0 | 0 | 112.2 | L624 K625 T626 | L624-Q628 HydrophobicContact CB-CB 4.23Å; L624-Q628 HydrophobicContact CB-CG 4.39Å; K625-Q628 WeakPolarHBondContact O-CA 3.41Å; K625-Q628 WeakPolarHBondContact O-CB 3.4Å; K625-Q628 PolarHBondContact O-N 2.9Å; T626-Q628 PolarHBondContact O-N 3.43Å |
| 629 | M | 31.2 | Very low | 31.6 | Very low | 19 Ų | 19 | 87.1 Ų | 87.1 | 9% | 0.094 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -63 | -49.8 | 156.6 | -52.2 | 178.8 | -169.1 | 0 | 0 | 109.1 | T626 R631 G632 E860 L1030 F1033 | T626-M629 HydrophobicContact CG2-CE 3.96Å; T626-M629 HydrophobicContact CG2-SD 4.03Å; T626-M629 WeakPolarHBondContact O-CB 3.42Å; T626-M629 PolarHBondContact O-N 3.06Å; T626-M629 VanDerWaalsContact O-N 3.1Å; M629-R631 PolarHBondContact O-N 2.95Å; M629-G632 PolarHBondContact O-N 3.21Å; M629-E860 HydrophobicContact CE-CG 4.3Å; M629-E860 WeakPolarHBondContact CE-OE2 3.45Å; M629-L1030 HydrophobicContact CE-CD1 3.41Å; M629-L1030 VanDerWaalsContact CE-CD1 3.41Å; M629-L1030 HydrophobicContact SD-CD1 3.57Å; M629-L1030 VanDerWaalsContact SD-CD1 3.57Å; M629-F1033 HydrophobicContact CB-CD2 4.42Å; M629-F1033 HydrophobicContact CB-CG 4.49Å; M629-F1033 HydrophobicContact CE-CD1 3.43Å; M629-F1033 VanDerWaalsContact CE-CD1 3.43Å; M629-F1033 HydrophobicContact CE-CE1 3.22Å; M629-F1033 HydrophobicContact CE-CG 4.41Å; M629-F1033 HydrophobicContact CE-CZ 4.11Å; M629-F1033 HydrophobicContact CG-CB 4.23Å; M629-F1033 HydrophobicContact CG-CD1 3.54Å; M629-F1033 HydrophobicContact CG-CD2 3.69Å; M629-F1033 HydrophobicContact CG-CE1 3.58Å; M629-F1033 HydrophobicContact CG-CE2 3.75Å; M629-F1033 HydrophobicContact CG-CG 3.57Å; M629-F1033 HydrophobicContact CG-CZ 3.68Å; M629-F1033 HydrophobicContact SD-CD1 3.9Å; M629-F1033 HydrophobicContact SD-CE1 4.07Å; M629-F1033 HydrophobicContact SD-CG 4.35Å |
| 630 | M | 34.5 | Very low | 31.7 | Very low | 113 Ų | 113 | 91.1 Ų | 91.1 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -6.8 | -177.5 | -56.1 | -59.6 | -71.2 | 0 | 0 | 114.4 | L648 | M630-L648 HydrophobicContact CE-CD1 4.22Š|
| 631 | R | 34.3 | Very low | 31.8 | Very low | 157 Ų | 157 | 89.5 Ų | 89.5 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 1.8 | 174.3 | -73.3 | 177.3 | 177.4 | 174.5 | -2 | 113.4 | T627 M629 | T627-R631 WeakPolarHBondContact O-CG 3.5Å; M629-R631 PolarHBondContact O-N 2.95Å |
| 632 | G | 30.2 | Very low | 32.1 | Very low | 61 Ų | 61 | 90.7 Ų | 90.7 | 63% | 0.629 | 55% | 0.548 | S | S | * | . | trans | -77.2 | -18.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | M629 S634 | M629-G632 PolarHBondContact O-N 3.21Å; G632-S634 VanDerWaalsContact C-N 3.28Å; G632-S634 PolarHBondContact O-N 2.94Å | ||
| 633 | L | 34.9 | Very low | 32.3 | Very low | 113 Ų | 113 | 90.5 Ų | 90.5 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | trans | -84.9 | 64.4 | -178 | -62.2 | 179.5 | 0 | 0 | 0 | 111.8 | L635 I1029 | L633-L635 PolarHBondContact O-N 3.36Å; L633-I1029 HydrophobicContact CD1-CD1 3.91Å; L633-I1029 HydrophobicContact CD2-CD1 3.92Å; L633-I1029 HydrophobicContact CD2-CG1 4.32Å; L633-I1029 HydrophobicContact CG-CD1 4.25Å | ||
| 634 | S | 27.1 | Very low | 32.4 | Very low | 113 Ų | 113 | 92.7 Ų | 92.7 | 79% | 0.79 | 57% | 0.567 | S | S | * | * | trans | -85.7 | 84.2 | 175 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | G632 | G632-S634 VanDerWaalsContact C-N 3.28Å; G632-S634 PolarHBondContact O-N 2.94Å | ||
| 635 | L | 30.8 | Very low | 32.5 | Very low | 152 Ų | 152 | 92.2 Ų | 92.2 | 80% | 0.796 | 57% | 0.57 | S | S | * | * | trans | -117 | 115.7 | 167.9 | -86.5 | 122.2 | 0 | 0 | 0 | 110.1 | L633 | L633-L635 PolarHBondContact O-N 3.36Š| ||
| 636 | E | 29.2 | Very low | 32.4 | Very low | 162 Ų | 162 | 94.5 Ų | 94.5 | 76% | 0.757 | 59% | 0.588 | S | S | * | * | trans | 38.2 | 119.8 | 167.2 | -59 | -48.1 | 102.8 | 0 | 0 | 120.8 | G638 | E636-G638 VanDerWaalsContact C-N 3.35Å; E636-G638 PolarHBondContact O-N 2.89Å | ||
| 637 | P | 28.5 | Very low | 32.7 | Very low | 137 Ų | 137 | 96.9 Ų | 96.9 | 89% | 0.89 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 77.4 | 179.3 | 34.1 | -35.9 | 0 | 0 | 0 | 112.3 | ||
| 638 | G | 30.5 | Very low | 33.1 | Very low | 76 Ų | 76 | 96.4 Ų | 96.4 | 78% | 0.784 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | -14.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | E636 | E636-G638 VanDerWaalsContact C-N 3.35Å; E636-G638 PolarHBondContact O-N 2.89Å |
| 639 | A | 32.4 | Very low | 33 | Very low | 92 Ų | 92 | 94.7 Ų | 94.7 | 76% | 0.76 | 61% | 0.612 | S | S | * | * | trans | -99.2 | 117.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 640 | S | 27.7 | Very low | 33.1 | Very low | 102 Ų | 102 | 99.1 Ų | 99.1 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | trans | -67 | 152.7 | 179.5 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 641 | N | 30.3 | Very low | 33.3 | Very low | 138 Ų | 138 | 99 Ų | 99 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 59.8 | 73.9 | 163 | -59.8 | -17.2 | 0 | 0 | 0 | 116.9 | A643 V646 | N641-A643 PolarHBondContact O-N 3.47Å; N641-V646 WeakPolarHBondContact O-CG2 2.84Å |
| 642 | S | 32.8 | Very low | 33.6 | Very low | 80 Ų | 80 | 100.1 Ų | 100.1 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | trans | 54 | 60.6 | 152.5 | -162.4 | 0 | 0 | 0 | 0 | 115.3 | A644 A645 V646 | S642-A644 PolarHBondContact O-N 3.25Å; S642-A644 VanDerWaalsContact O-N 3.09Å; S642-A645 PolarHBondContact O-N 3.17Å; S642-A645 WeakPolarHBondContact OG-CB 3.43Å; S642-V646 WeakPolarHBondContact O-CG2 3.44Å; S642-V646 PolarHBondContact O-N 3.45Å | ||
| 643 | A | 33.3 | Very low | 33.9 | Very low | 72 Ų | 72 | 106.6 Ų | 106.6 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -49.9 | -36.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N641 A645 V646 A647 | N641-A643 PolarHBondContact O-N 3.47Å; A643-A645 VanDerWaalsContact C-N 3.28Å; A643-A645 PolarHBondContact O-N 3.38Å; A643-V646 PolarHBondContact O-N 3.01Å; A643-A647 WeakPolarHBondContact O-CB 3.32Å; A643-A647 PolarHBondContact O-N 3.37Å |
| 644 | A | 35.7 | Very low | 33.8 | Very low | 65 Ų | 65 | 104 Ų | 104 | 54% | 0.537 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -72.7 | -7.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S642 L648 | S642-A644 PolarHBondContact O-N 3.25Å; S642-A644 VanDerWaalsContact O-N 3.09Å; A644-L648 VanDerWaalsContact O-CD1 3.23Å; A644-L648 WeakPolarHBondContact O-CD1 3.25Å; A644-L648 VanDerWaalsContact O-CG 3.28Å; A644-L648 WeakPolarHBondContact O-CG 3.47Å |
| 645 | A | 36.7 | Very low | 34.3 | Very low | 36 Ų | 36 | 104.4 Ų | 104.4 | 30% | 0.298 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -107.1 | -35.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S642 A643 L648 G649 F650 | S642-A645 PolarHBondContact O-N 3.17Å; S642-A645 WeakPolarHBondContact OG-CB 3.43Å; A643-A645 VanDerWaalsContact C-N 3.28Å; A643-A645 PolarHBondContact O-N 3.38Å; A645-L648 PolarHBondContact O-N 2.72Å; A645-G649 PolarHBondContact O-N 2.75Å; A645-F650 PolarHBondContact O-N 3.4Å |
| 646 | V | 38.5 | Very low | 34.5 | Very low | 108 Ų | 108 | 100.3 Ų | 100.3 | 66% | 0.655 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.1 | -47.5 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | N641 S642 A643 L648 G649 | N641-V646 WeakPolarHBondContact O-CG2 2.84Å; S642-V646 WeakPolarHBondContact O-CG2 3.44Å; S642-V646 PolarHBondContact O-N 3.45Å; A643-V646 PolarHBondContact O-N 3.01Å; V646-L648 PolarHBondContact O-N 2.69Å; V646-G649 PolarHBondContact O-N 3.42Å; V646-G649 VanDerWaalsContact O-N 3.13Å |
| 647 | A | 38.9 | Very low | 35.1 | Very low | 82 Ų | 82 | 103.1 Ų | 103.1 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -14.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A643 | A643-A647 WeakPolarHBondContact O-CB 3.32Å; A643-A647 PolarHBondContact O-N 3.37Å |
| 648 | L | 42 | Very low | 35.5 | Very low | 56 Ų | 56 | 99 Ų | 99 | 29% | 0.293 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.8 | 13.4 | 175.6 | -53.3 | -170.2 | 0 | 0 | 0 | 112.8 | M630 A644 A645 V646 F650 Y867 | M630-L648 HydrophobicContact CE-CD1 4.22Å; A644-L648 VanDerWaalsContact O-CD1 3.23Å; A644-L648 WeakPolarHBondContact O-CD1 3.25Å; A644-L648 VanDerWaalsContact O-CG 3.28Å; A644-L648 WeakPolarHBondContact O-CG 3.47Å; A645-L648 PolarHBondContact O-N 2.72Å; V646-L648 PolarHBondContact O-N 2.69Å; L648-F650 HydrophobicContact CB-CD2 4.01Å; L648-F650 HydrophobicContact CB-CE2 3.91Å; L648-F650 PolarHBondContact O-N 3Å; L648-Y867 WeakPolarHBondContact CD2-OH 3.44Å |
| 649 | G | 34 | Very low | 35.7 | Very low | 54 Ų | 54 | 98.4 Ų | 98.4 | 56% | 0.557 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.4 | 15.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | A645 V646 T651 | A645-G649 PolarHBondContact O-N 2.75Å; V646-G649 PolarHBondContact O-N 3.42Å; V646-G649 VanDerWaalsContact O-N 3.13Å; G649-T651 VanDerWaalsContact C-N 3.25Å; G649-T651 PolarHBondContact O-N 3.33Å |
| 650 | F | 33.7 | Very low | 36.2 | Very low | 112 Ų | 112 | 96 Ų | 96 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | trans | -75.6 | 68.9 | -177.3 | -72.1 | -78.8 | 0 | 0 | 0 | 113.6 | A645 L648 | A645-F650 PolarHBondContact O-N 3.4Å; L648-F650 HydrophobicContact CB-CD2 4.01Å; L648-F650 HydrophobicContact CB-CE2 3.91Å; L648-F650 PolarHBondContact O-N 3Å | ||
| 651 | T | 37.4 | Very low | 37.3 | Very low | 111 Ų | 111 | 94.9 Ų | 94.9 | 68% | 0.681 | 57% | 0.573 | S | S | * | * | trans | -77.5 | 149.8 | 162 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | G649 Q653 | G649-T651 VanDerWaalsContact C-N 3.25Å; G649-T651 PolarHBondContact O-N 3.33Å; T651-Q653 PolarHBondContact O-N 2.82Å | ||
| 652 | Q | 40.3 | Very low | 38.1 | Very low | 181 Ų | 181 | 93.4 Ų | 93.4 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -3.8 | -161.3 | -72.7 | 178.8 | -23.2 | 0 | 0 | 116.7 | ||
| 653 | Q | 36.4 | Very low | 39.1 | Very low | 197 Ų | 197 | 96.3 Ų | 96.3 | 92% | 0.921 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 0.3 | -166.8 | -66.9 | 179.8 | -16 | 0 | 0 | 115.4 | T651 | T651-Q653 PolarHBondContact O-N 2.82Š|
| 654 | G | 33.2 | Very low | 40.5 | Very low | 57 Ų | 57 | 97.3 Ų | 97.3 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | trans | -109.1 | 1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | G656 | G654-G656 PolarHBondContact O-N 3.36Å; G654-G656 VanDerWaalsContact O-N 3.13Å | ||
| 655 | Y | 38.4 | Very low | 41.6 | Very low | 122 Ų | 122 | 95.7 Ų | 95.7 | 48% | 0.478 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.3 | -33.8 | -152.3 | -95.1 | -108.5 | 0 | 0 | 0 | 117.6 | ||
| 656 | G | 34.2 | Very low | 42.7 | Very low | 66 Ų | 66 | 96.5 Ų | 96.5 | 68% | 0.68 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.1 | -50.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G654 | G654-G656 PolarHBondContact O-N 3.36Å; G654-G656 VanDerWaalsContact O-N 3.13Å |
| 657 | R | 42.3 | Very low | 44 | Very low | 221 Ų | 221 | 93.9 Ų | 93.9 | 83% | 0.834 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -83 | -33.4 | -168.5 | -130.3 | 178 | -155.7 | -119.4 | 3.5 | 113.7 | ||
| 658 | G | 37.3 | Very low | 45.5 | Very low | 50 Ų | 50 | 94.8 Ų | 94.8 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A660 W662 | G658-A660 PolarHBondContact O-N 3.46Å; G658-W662 PolarHBondContact O-N 2.88Å |
| 659 | M | 35.1 | Very low | 46.9 | Very low | 65 Ų | 65 | 93 Ų | 93 | 32% | 0.32 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -33.4 | 177.9 | -103.3 | -146.3 | -174.6 | 0 | 0 | 113.5 | R663 | M659-R663 WeakPolarHBondContact O-CB 3.44Å; M659-R663 WeakPolarHBondContact O-CG 3.5Å; M659-R663 PolarHBondContact O-N 3.3Å; M659-R663 PolarHBondContact SD-NH2 2.88Å |
| 660 | A | 42 | Very low | 48.7 | Very low | 42 Ų | 42 | 94.8 Ų | 94.8 | 35% | 0.347 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -59 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G658 W662 R663 D664 | G658-A660 PolarHBondContact O-N 3.46Å; A660-W662 PolarHBondContact O-N 3.43Å; A660-W662 VanDerWaalsContact O-N 3.16Å; A660-R663 WeakPolarHBondContact O-CA 3.28Å; A660-R663 WeakPolarHBondContact O-CB 3.35Å; A660-R663 PolarHBondContact O-N 3.41Å; A660-D664 PolarHBondContact O-N 3.36Å |
| 661 | N | 51.8 | Low | 50.9 | Low | 77 Ų | 77 | 96.4 Ų | 96.4 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.7 | -37.1 | -179.9 | -61.8 | 20.1 | 0 | 0 | 0 | 112.6 | D664 Q665 | N661-D664 PolarHBondContact O-N 2.82Å; N661-Q665 WeakPolarHBondContact O-CG 3.41Å; N661-Q665 PolarHBondContact O-N 2.88Å |
| 662 | W | 45.9 | Very low | 53 | Low | 108 Ų | 108 | 92.5 Ų | 92.5 | 41% | 0.409 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.3 | -38.5 | 175.7 | -179 | -109.5 | 0 | 0 | 0 | 113.1 | G658 A660 D664 M666 | G658-W662 PolarHBondContact O-N 2.88Å; A660-W662 PolarHBondContact O-N 3.43Å; A660-W662 VanDerWaalsContact O-N 3.16Å; W662-D664 VanDerWaalsContact C-N 3.29Å; W662-D664 PolarHBondContact O-N 2.77Å; W662-M666 HydrophobicContact CZ2-CE 3.97Å; W662-M666 WeakPolarHBondContact O-CB 3.11Å; W662-M666 PolarHBondContact O-N 2.74Å |
| 663 | R | 54.4 | Low | 54.7 | Low | 140 Ų | 140 | 87.3 Ų | 87.3 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 172.1 | -73.8 | 167.2 | -172.4 | -137.4 | 2.3 | 110.4 | M659 A660 M666 N667 | M659-R663 WeakPolarHBondContact O-CB 3.44Å; M659-R663 WeakPolarHBondContact O-CG 3.5Å; M659-R663 PolarHBondContact O-N 3.3Å; M659-R663 PolarHBondContact SD-NH2 2.88Å; A660-R663 WeakPolarHBondContact O-CA 3.28Å; A660-R663 WeakPolarHBondContact O-CB 3.35Å; A660-R663 PolarHBondContact O-N 3.41Å; R663-M666 PolarHBondContact O-N 3.45Å; R663-N667 VanDerWaalsContact O-CB 3.28Å; R663-N667 WeakPolarHBondContact O-CB 3.48Å; R663-N667 PolarHBondContact O-N 3.16Å; R663-N667 PolarHBondContact O-ND2 3.34Å; R663-N667 VanDerWaalsContact O-ND2 3.13Å |
| 664 | D | 62.2 | Low | 56.8 | Low | 93 Ų | 93 | 83 Ų | 83 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.5 | -47.5 | 179.8 | -63.8 | -35.6 | 0 | 0 | 0 | 112.2 | A660 N661 W662 M666 N667 E668 | A660-D664 PolarHBondContact O-N 3.36Å; N661-D664 PolarHBondContact O-N 2.82Å; W662-D664 VanDerWaalsContact C-N 3.29Å; W662-D664 PolarHBondContact O-N 2.77Å; D664-M666 VanDerWaalsContact C-N 3.33Å; D664-M666 PolarHBondContact O-N 2.84Å; D664-N667 CarbonylContact O-C 3.6Å; D664-N667 WeakPolarHBondContact O-CA 3.25Å; D664-N667 WeakPolarHBondContact O-CB 3.5Å; D664-N667 PolarHBondContact O-N 3.28Å; D664-E668 PolarHBondContact O-N 3.01Å |
| 665 | Q | 59.6 | Low | 59.3 | Low | 32 Ų | 32 | 86.4 Ų | 86.4 | 15% | 0.15 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 173 | -72.5 | 178.1 | -54.6 | 0 | 0 | 112.5 | N661 N667 E668 L669 N863 | N661-Q665 WeakPolarHBondContact O-CG 3.41Å; N661-Q665 PolarHBondContact O-N 2.88Å; Q665-N667 VanDerWaalsContact C-N 3.3Å; Q665-N667 PolarHBondContact O-N 2.66Å; Q665-E668 PolarHBondContact O-N 2.87Å; Q665-L669 PolarHBondContact O-N 2.97Å; Q665-N863 PolarHBondContact NE2-OD1 3.12Å; Q665-N863 PolarHBondContact OE1-OD1 2.92Å |
| 666 | M | 59.3 | Low | 61.8 | Low | 52 Ų | 52 | 81.8 Ų | 81.8 | 26% | 0.256 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.5 | -27.3 | 175.9 | -175.2 | 57.6 | 59.6 | 0 | 0 | 112.4 | W662 R663 D664 K670 | W662-M666 HydrophobicContact CZ2-CE 3.97Å; W662-M666 WeakPolarHBondContact O-CB 3.11Å; W662-M666 PolarHBondContact O-N 2.74Å; R663-M666 PolarHBondContact O-N 3.45Å; D664-M666 VanDerWaalsContact C-N 3.33Å; D664-M666 PolarHBondContact O-N 2.84Å; M666-K670 VanDerWaalsContact O-CG 3.31Å; M666-K670 WeakPolarHBondContact O-CG 3.34Å; M666-K670 PolarHBondContact O-N 3.2Å |
| 667 | N | 66.6 | Low | 64.2 | Low | 54 Ų | 54 | 83.2 Ų | 83.2 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -75.5 | -32.6 | 173.1 | -72.6 | -24.3 | 0 | 0 | 0 | 111.7 | R663 D664 Q665 K670 R671 | R663-N667 VanDerWaalsContact O-CB 3.28Å; R663-N667 WeakPolarHBondContact O-CB 3.48Å; R663-N667 PolarHBondContact O-N 3.16Å; R663-N667 PolarHBondContact O-ND2 3.34Å; R663-N667 VanDerWaalsContact O-ND2 3.13Å; D664-N667 CarbonylContact O-C 3.6Å; D664-N667 WeakPolarHBondContact O-CA 3.25Å; D664-N667 WeakPolarHBondContact O-CB 3.5Å; D664-N667 PolarHBondContact O-N 3.28Å; Q665-N667 VanDerWaalsContact C-N 3.3Å; Q665-N667 PolarHBondContact O-N 2.66Å; N667-K670 WeakPolarHBondContact O-CB 3.39Å; N667-K670 PolarHBondContact O-N 3.12Å; N667-K670 PolarHBondContact OD1-NZ 3.15Å; N667-R671 WeakPolarHBondContact O-CG 3.46Å; N667-R671 PolarHBondContact O-N 3.19Å |
| 668 | E | 68.6 | Low | 66.5 | Low | 100 Ų | 100 | 79.3 Ų | 79.3 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 175 | -151.9 | 55.2 | -123.3 | 0 | 0 | 111.7 | D664 Q665 K670 R671 L672 | D664-E668 PolarHBondContact O-N 3.01Å; Q665-E668 PolarHBondContact O-N 2.87Å; E668-K670 PolarHBondContact O-N 3.01Å; E668-K670 VanDerWaalsContact O-N 3.17Å; E668-R671 WeakPolarHBondContact O-CB 3.37Å; E668-R671 PolarHBondContact O-N 3.16Å; E668-R671 VanDerWaalsContact OE1-CD 3.29Å; E668-R671 WeakPolarHBondContact OE1-CD 3.34Å; E668-R671 WeakPolarHBondContact OE2-CD 3.42Å; E668-R671 IonicContact OE2-CZ 3.18Å; E668-R671 IonicContact OE2-NE 2.75Å; E668-R671 IonicContact OE2-NH1 3.19Å; E668-R671 PolarHBondContact OE2-NH1 3.28Å; E668-L672 PolarHBondContact O-N 2.7Å |
| 669 | L | 71.4 | Confident | 69 | Low | 18 Ų | 18 | 81.5 Ų | 81.5 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.4 | -19.5 | 171.6 | -68.2 | 176 | 0 | 0 | 0 | 113.6 | Q665 R673 A859 E860 | Q665-L669 PolarHBondContact O-N 2.97Å; L669-R673 WeakPolarHBondContact O-CB 3.42Å; L669-A859 HydrophobicContact CD2-CB 3.83Å; L669-E860 HydrophobicContact CD2-CG 4.45Å |
| 670 | K | 73 | Confident | 71.5 | Confident | 92 Ų | 92 | 79.4 Ų | 79.4 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -80.6 | -42.9 | 167.5 | -67.5 | 168.3 | -158.1 | 164.1 | 0 | 111.9 | M666 N667 E668 R673 N674 | M666-K670 VanDerWaalsContact O-CG 3.31Å; M666-K670 WeakPolarHBondContact O-CG 3.34Å; M666-K670 PolarHBondContact O-N 3.2Å; N667-K670 WeakPolarHBondContact O-CB 3.39Å; N667-K670 PolarHBondContact O-N 3.12Å; N667-K670 PolarHBondContact OD1-NZ 3.15Å; E668-K670 PolarHBondContact O-N 3.01Å; E668-K670 VanDerWaalsContact O-N 3.17Å; K670-R673 PolarHBondContact O-N 3.29Å; K670-N674 WeakPolarHBondContact O-CB 3.3Å; K670-N674 VanDerWaalsContact O-CG 3.24Å; K670-N674 PolarHBondContact O-N 3.22Å; K670-N674 PolarHBondContact O-OD1 3.28Å |
| 671 | R | 80.1 | Confident | 73.8 | Confident | 146 Ų | 146 | 83.2 Ų | 83.2 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.2 | -51.4 | 177.1 | -75.3 | 169.5 | 177.2 | 146.7 | 0.2 | 110.5 | N667 E668 R673 N674 Q675 | N667-R671 WeakPolarHBondContact O-CG 3.46Å; N667-R671 PolarHBondContact O-N 3.19Å; E668-R671 WeakPolarHBondContact O-CB 3.37Å; E668-R671 PolarHBondContact O-N 3.16Å; E668-R671 VanDerWaalsContact OE1-CD 3.29Å; E668-R671 WeakPolarHBondContact OE1-CD 3.34Å; E668-R671 WeakPolarHBondContact OE2-CD 3.42Å; E668-R671 IonicContact OE2-CZ 3.18Å; E668-R671 IonicContact OE2-NE 2.75Å; E668-R671 IonicContact OE2-NH1 3.19Å; E668-R671 PolarHBondContact OE2-NH1 3.28Å; R671-R673 PolarHBondContact O-N 3.33Å; R671-N674 PolarHBondContact O-N 3.43Å; R671-N674 VanDerWaalsContact O-N 3.16Å; R671-Q675 WeakPolarHBondContact O-CB 3.4Å; R671-Q675 PolarHBondContact O-N 3.34Å |
| 672 | L | 80.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 84.7 Ų | 84.7 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.5 | -49 | 176.8 | -172.6 | 65.7 | 0 | 0 | 0 | 111.6 | E668 N674 Q675 H676 A859 | E668-L672 PolarHBondContact O-N 2.7Å; L672-N674 PolarHBondContact O-N 2.9Å; L672-Q675 WeakPolarHBondContact O-CB 3.39Å; L672-Q675 PolarHBondContact O-N 3.1Å; L672-H676 VanDerWaalsContact CD1-NE2 3.34Å; L672-H676 WeakPolarHBondContact CD1-NE2 3.13Å; L672-H676 WeakPolarHBondContact O-CB 3.48Å; L672-H676 PolarHBondContact O-CD2 2.84Å; L672-H676 VanDerWaalsContact O-CD2 3.24Å; L672-H676 PolarHBondContact O-N 3.45Å; L672-A859 HydrophobicContact CD2-CB 3.92Å |
| 673 | R | 76.2 | Confident | 77.9 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 28% | 0.275 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 176.3 | -172.4 | -170 | -53.6 | -118.6 | -8.9 | 113.1 | L669 K670 R671 Q675 H676 N677 | L669-R673 WeakPolarHBondContact O-CB 3.42Å; K670-R673 PolarHBondContact O-N 3.29Å; R671-R673 PolarHBondContact O-N 3.33Å; R673-Q675 VanDerWaalsContact C-N 3.35Å; R673-H676 PolarHBondContact O-N 3.34Å; R673-N677 WeakPolarHBondContact O-CB 3.22Å; R673-N677 PolarHBondContact O-N 3.03Å |
| 674 | N | 81 | Confident | 79.6 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.3 | -36.5 | 178.6 | -71.3 | -3.4 | 0 | 0 | 0 | 111.3 | K670 R671 L672 K678 | K670-N674 WeakPolarHBondContact O-CB 3.3Å; K670-N674 VanDerWaalsContact O-CG 3.24Å; K670-N674 PolarHBondContact O-N 3.22Å; K670-N674 PolarHBondContact O-OD1 3.28Å; R671-N674 PolarHBondContact O-N 3.43Å; R671-N674 VanDerWaalsContact O-N 3.16Å; L672-N674 PolarHBondContact O-N 2.9Å; N674-K678 WeakPolarHBondContact O-CB 3.44Å; N674-K678 PolarHBondContact O-N 3.33Å |
| 675 | Q | 86.4 | Confident | 81 | Confident | 130 Ų | 130 | 76.8 Ų | 76.8 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 171.8 | -179.5 | 175.7 | -8.7 | 0 | 0 | 111.7 | R671 L672 R673 K678 H679 | R671-Q675 WeakPolarHBondContact O-CB 3.4Å; R671-Q675 PolarHBondContact O-N 3.34Å; L672-Q675 WeakPolarHBondContact O-CB 3.39Å; L672-Q675 PolarHBondContact O-N 3.1Å; R673-Q675 VanDerWaalsContact C-N 3.35Å; Q675-K678 PolarHBondContact O-N 3.49Å; Q675-H679 WeakPolarHBondContact O-CB 3.29Å; Q675-H679 PolarHBondContact O-N 2.96Å |
| 676 | H | 90.4 | Very high | 82.6 | Confident | 25 Ų | 25 | 81.2 Ų | 81.2 | 12% | 0.116 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 175.5 | -70.6 | -174.7 | 0 | 0 | 0 | 111.7 | L672 R673 K678 H679 L680 Q852 | L672-H676 VanDerWaalsContact CD1-NE2 3.34Å; L672-H676 WeakPolarHBondContact CD1-NE2 3.13Å; L672-H676 WeakPolarHBondContact O-CB 3.48Å; L672-H676 PolarHBondContact O-CD2 2.84Å; L672-H676 VanDerWaalsContact O-CD2 3.24Å; L672-H676 PolarHBondContact O-N 3.45Å; R673-H676 PolarHBondContact O-N 3.34Å; H676-K678 PolarHBondContact O-N 3.25Å; H676-H679 PolarHBondContact O-N 2.99Å; H676-L680 WeakPolarHBondContact O-CB 3.47Å; H676-L680 PolarHBondContact O-N 2.9Å; H676-Q852 HydrophobicContact CB-CB 4.5Å; H676-Q852 HydrophobicContact CB-CG 3.98Å; H676-Q852 PolarHBondContact CE1-O 3.43Å; H676-Q852 PolarHBondContact O-NE2 2.93Å |
| 677 | N | 84.4 | Confident | 84.3 | Confident | 95 Ų | 95 | 79.1 Ų | 79.1 | 51% | 0.508 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 175.5 | -72.9 | -8.2 | 0 | 0 | 0 | 112.2 | R673 K681 | R673-N677 WeakPolarHBondContact O-CB 3.22Å; R673-N677 PolarHBondContact O-N 3.03Å; N677-K681 PolarHBondContact O-N 3.05Å |
| 678 | K | 90.5 | Very high | 85.5 | Confident | 140 Ų | 140 | 82.1 Ų | 82.1 | 61% | 0.609 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63 | -45 | 176.6 | -177.1 | 179.6 | 178.1 | -177.9 | 0 | 111.8 | N674 Q675 H676 K681 Q682 | N674-K678 WeakPolarHBondContact O-CB 3.44Å; N674-K678 PolarHBondContact O-N 3.33Å; Q675-K678 PolarHBondContact O-N 3.49Å; H676-K678 PolarHBondContact O-N 3.25Å; K678-K681 PolarHBondContact O-N 2.71Å; K678-Q682 VanDerWaalsContact O-CG 3.31Å; K678-Q682 WeakPolarHBondContact O-CG 3.17Å; K678-Q682 PolarHBondContact O-N 2.99Å |
| 679 | H | 90 | Very high | 86.7 | Confident | 96 Ų | 96 | 81.9 Ų | 81.9 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 179.6 | -168.9 | -175.6 | 0 | 0 | 0 | 111.5 | Q675 H676 Q682 V683 | Q675-H679 WeakPolarHBondContact O-CB 3.29Å; Q675-H679 PolarHBondContact O-N 2.96Å; H676-H679 PolarHBondContact O-N 2.99Å; H679-Q682 PolarHBondContact O-N 3.39Å; H679-V683 PolarHBondContact O-N 2.83Å; H679-V683 VanDerWaalsContact O-N 3.1Å |
| 680 | L | 88.3 | Confident | 87.7 | Confident | 21 Ų | 21 | 83.6 Ų | 83.6 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 174.1 | 177.9 | 61.2 | 0 | 0 | 0 | 111 | H676 Q682 V683 E684 I845 L848 | H676-L680 WeakPolarHBondContact O-CB 3.47Å; H676-L680 PolarHBondContact O-N 2.9Å; L680-Q682 VanDerWaalsContact C-N 3.32Å; L680-Q682 PolarHBondContact O-N 3.13Å; L680-V683 PolarHBondContact O-N 2.89Å; L680-V683 VanDerWaalsContact O-N 3.08Å; L680-E684 HydrophobicContact CD1-CG 4.29Å; L680-E684 HydrophobicContact CG-CG 4.49Å; L680-E684 WeakPolarHBondContact O-CG 3.29Å; L680-E684 PolarHBondContact O-N 2.94Å; L680-I845 HydrophobicContact CD1-CG2 4.08Å; L680-L848 HydrophobicContact CB-CD2 4.36Å; L680-L848 HydrophobicContact CD1-CD2 4.26Å |
| 681 | K | 88.5 | Confident | 88.6 | Confident | 122 Ų | 122 | 81.7 Ų | 81.7 | 53% | 0.53 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 176.5 | 179.9 | 172.2 | 178 | 178.8 | 0 | 112.3 | N677 K678 V683 E684 D685 | N677-K681 PolarHBondContact O-N 3.05Å; K678-K681 PolarHBondContact O-N 2.71Å; K681-V683 VanDerWaalsContact C-N 3.26Å; K681-V683 PolarHBondContact O-N 2.96Å; K681-E684 PolarHBondContact O-N 3.24Å; K681-D685 WeakPolarHBondContact CE-OD2 3.4Å; K681-D685 WeakPolarHBondContact CG-OD2 3.44Å; K681-D685 WeakPolarHBondContact O-CB 3.33Å; K681-D685 PolarHBondContact O-N 2.74Å |
| 682 | Q | 91.9 | Very high | 89.2 | Confident | 108 Ų | 108 | 79.4 Ų | 79.4 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -33.1 | 177 | -74.9 | 173.4 | -42.1 | 0 | 0 | 113 | K678 H679 L680 K686 | K678-Q682 VanDerWaalsContact O-CG 3.31Å; K678-Q682 WeakPolarHBondContact O-CG 3.17Å; K678-Q682 PolarHBondContact O-N 2.99Å; H679-Q682 PolarHBondContact O-N 3.39Å; L680-Q682 VanDerWaalsContact C-N 3.32Å; L680-Q682 PolarHBondContact O-N 3.13Å; Q682-K686 VanDerWaalsContact O-CB 3.26Å; Q682-K686 WeakPolarHBondContact O-CB 3.45Å; Q682-K686 PolarHBondContact O-N 2.93Å |
| 683 | V | 91.9 | Very high | 89.8 | Confident | 27 Ų | 27 | 81.6 Ų | 81.6 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.8 | -38.8 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | H679 L680 K681 K686 N687 I845 L848 | H679-V683 PolarHBondContact O-N 2.83Å; H679-V683 VanDerWaalsContact O-N 3.1Å; L680-V683 PolarHBondContact O-N 2.89Å; L680-V683 VanDerWaalsContact O-N 3.08Å; K681-V683 VanDerWaalsContact C-N 3.26Å; K681-V683 PolarHBondContact O-N 2.96Å; V683-K686 PolarHBondContact O-N 3.28Å; V683-N687 WeakPolarHBondContact O-CB 3.45Å; V683-N687 PolarHBondContact O-N 3.21Å; V683-N687 PolarHBondContact O-OD1 3.12Å; V683-I845 HydrophobicContact CG1-CG1 4.19Å; V683-L848 HydrophobicContact CB-CD2 4.34Å; V683-L848 HydrophobicContact CG2-CD2 3.99Å |
| 684 | E | 90.3 | Very high | 90.7 | Very high | 64 Ų | 64 | 79 Ų | 79 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 175.5 | -69.7 | 171.5 | 165.4 | 0 | 0 | 111.9 | L680 K681 K686 N687 K688 I845 | L680-E684 HydrophobicContact CD1-CG 4.29Å; L680-E684 HydrophobicContact CG-CG 4.49Å; L680-E684 WeakPolarHBondContact O-CG 3.29Å; L680-E684 PolarHBondContact O-N 2.94Å; K681-E684 PolarHBondContact O-N 3.24Å; E684-K686 VanDerWaalsContact C-N 3.34Å; E684-K686 PolarHBondContact O-N 3.13Å; E684-N687 PolarHBondContact O-N 3.36Å; E684-K688 PolarHBondContact O-N 2.75Å; E684-I845 HydrophobicContact CG-CD1 4.31Å |
| 685 | D | 92.4 | Very high | 91.2 | Very high | 83 Ų | 83 | 79 Ų | 79 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 174.7 | -71.9 | -28.5 | 0 | 0 | 0 | 111 | K681 K688 V689 | K681-D685 WeakPolarHBondContact CE-OD2 3.4Å; K681-D685 WeakPolarHBondContact CG-OD2 3.44Å; K681-D685 WeakPolarHBondContact O-CB 3.33Å; K681-D685 PolarHBondContact O-N 2.74Å; D685-K688 PolarHBondContact O-N 3.26Å; D685-V689 WeakPolarHBondContact O-CG2 3.42Å; D685-V689 PolarHBondContact O-N 2.65Å |
| 686 | K | 94.1 | Very high | 91.5 | Very high | 126 Ų | 126 | 75.9 Ų | 75.9 | 55% | 0.548 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 176 | 179.3 | 177.2 | 171.6 | -179 | 0 | 112.5 | Q682 V683 E684 K688 V689 E690 | Q682-K686 VanDerWaalsContact O-CB 3.26Å; Q682-K686 WeakPolarHBondContact O-CB 3.45Å; Q682-K686 PolarHBondContact O-N 2.93Å; V683-K686 PolarHBondContact O-N 3.28Å; E684-K686 VanDerWaalsContact C-N 3.34Å; E684-K686 PolarHBondContact O-N 3.13Å; K686-K688 VanDerWaalsContact C-N 3.29Å; K686-K688 PolarHBondContact O-N 3.12Å; K686-V689 PolarHBondContact O-N 3.45Å; K686-E690 WeakPolarHBondContact CE-OE1 3.44Å; K686-E690 IonicContact NZ-OE1 2.74Å; K686-E690 PolarHBondContact O-N 2.77Å |
| 687 | N | 93.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.043 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 176.7 | -75.8 | -9.8 | 0 | 0 | 0 | 110.6 | V683 E684 V689 E690 E691 Q841 R844 I845 | V683-N687 WeakPolarHBondContact O-CB 3.45Å; V683-N687 PolarHBondContact O-N 3.21Å; V683-N687 PolarHBondContact O-OD1 3.12Å; E684-N687 PolarHBondContact O-N 3.36Å; N687-V689 PolarHBondContact O-N 2.93Å; N687-E690 PolarHBondContact O-N 3.5Å; N687-E691 PolarHBondContact O-N 2.87Å; N687-Q841 HydrophobicContact CB-CG 3.99Å; N687-Q841 PolarHBondContact O-NE2 3Å; N687-R844 PolarHBondContact OD1-NH2 3.35Å; N687-I845 WeakPolarHBondContact ND2-CD1 3.37Å |
| 688 | K | 92.3 | Very high | 92 | Very high | 117 Ų | 117 | 76.4 Ų | 76.4 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 176.5 | -178.8 | 179.2 | 170.5 | -178.1 | 0 | 112.4 | E684 D685 K686 E690 E691 E692 | E684-K688 PolarHBondContact O-N 2.75Å; D685-K688 PolarHBondContact O-N 3.26Å; K686-K688 VanDerWaalsContact C-N 3.29Å; K686-K688 PolarHBondContact O-N 3.12Å; K688-E690 PolarHBondContact O-N 2.89Å; K688-E691 WeakPolarHBondContact O-CB 3.38Å; K688-E691 PolarHBondContact O-N 3.34Å; K688-E692 WeakPolarHBondContact CE-OE1 3.41Å; K688-E692 HydrophobicContact CG-CG 4.43Å; K688-E692 IonicContact NZ-OE1 3.77Å; K688-E692 WeakPolarHBondContact O-CG 3.46Å; K688-E692 PolarHBondContact O-N 3.13Å |
| 689 | V | 93.6 | Very high | 92.1 | Very high | 94 Ų | 94 | 74.6 Ų | 74.6 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.2 | -37.6 | 178.1 | 174.6 | 0 | 0 | 0 | 0 | 112 | D685 K686 N687 E691 S693 | D685-V689 WeakPolarHBondContact O-CG2 3.42Å; D685-V689 PolarHBondContact O-N 2.65Å; K686-V689 PolarHBondContact O-N 3.45Å; N687-V689 PolarHBondContact O-N 2.93Å; V689-E691 VanDerWaalsContact C-N 3.34Å; V689-S693 WeakPolarHBondContact O-CB 3.49Å; V689-S693 PolarHBondContact O-N 2.71Å |
| 690 | E | 93.3 | Very high | 92.2 | Very high | 55 Ų | 55 | 77.4 Ų | 77.4 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 172.5 | -73.2 | -179.8 | -167.9 | 0 | 0 | 111.9 | K686 N687 K688 L694 L837 R844 | K686-E690 WeakPolarHBondContact CE-OE1 3.44Å; K686-E690 IonicContact NZ-OE1 2.74Å; K686-E690 PolarHBondContact O-N 2.77Å; N687-E690 PolarHBondContact O-N 3.5Å; K688-E690 PolarHBondContact O-N 2.89Å; E690-L694 WeakPolarHBondContact O-CB 3.48Å; E690-L694 PolarHBondContact O-N 3.43Å; E690-L837 HydrophobicContact CB-CD1 4.29Å; E690-R844 IonicContact OE1-NH1 3.92Å; E690-R844 IonicContact OE1-NH2 3.67Å; E690-R844 IonicContact OE2-CZ 3Å; E690-R844 IonicContact OE2-NH1 2.68Å; E690-R844 PolarHBondContact OE2-NH1 3.18Å; E690-R844 IonicContact OE2-NH2 2.62Å; E690-R844 PolarHBondContact OE2-NH2 3.42Å |
| 691 | E | 91.7 | Very high | 92.4 | Very high | 51 Ų | 51 | 79.7 Ų | 79.7 | 24% | 0.238 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.8 | -46.9 | 179.2 | -165.2 | -163.5 | 147.6 | 0 | 0 | 112.8 | N687 K688 V689 S693 L694 K695 L834 L837 | N687-E691 PolarHBondContact O-N 2.87Å; K688-E691 WeakPolarHBondContact O-CB 3.38Å; K688-E691 PolarHBondContact O-N 3.34Å; V689-E691 VanDerWaalsContact C-N 3.34Å; E691-S693 VanDerWaalsContact C-N 3.33Å; E691-S693 PolarHBondContact O-N 3.41Å; E691-L694 PolarHBondContact O-N 3.22Å; E691-K695 HydrophobicContact CG-CD 4.31Å; E691-K695 WeakPolarHBondContact O-CB 3.39Å; E691-K695 WeakPolarHBondContact O-CG 3.34Å; E691-K695 PolarHBondContact O-N 3.21Å; E691-K695 VanDerWaalsContact OE1-CE 3.25Å; E691-K695 WeakPolarHBondContact OE1-CE 3.5Å; E691-K695 IonicContact OE1-NZ 3.4Å; E691-K695 PolarHBondContact OE1-NZ 3.14Å; E691-L834 HydrophobicContact CG-CD1 4.36Å; E691-L837 HydrophobicContact CB-CD2 4.18Å; E691-L837 HydrophobicContact CG-CD2 4.46Å |
| 692 | E | 92.4 | Very high | 92.6 | Very high | 98 Ų | 98 | 75.9 Ų | 75.9 | 46% | 0.458 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.9 | -72.2 | 176.9 | 164.7 | 0 | 0 | 111.3 | K688 S696 | K688-E692 WeakPolarHBondContact CE-OE1 3.41Å; K688-E692 HydrophobicContact CG-CG 4.43Å; K688-E692 IonicContact NZ-OE1 3.77Å; K688-E692 WeakPolarHBondContact O-CG 3.46Å; K688-E692 PolarHBondContact O-N 3.13Å; E692-S696 WeakPolarHBondContact O-CB 3.43Å; E692-S696 PolarHBondContact O-N 2.96Å; E692-S696 PolarHBondContact O-OG 3.18Å |
| 693 | S | 93.7 | Very high | 92.6 | Very high | 76 Ų | 76 | 74.5 Ų | 74.5 | 53% | 0.531 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | V689 E691 S696 R697 | V689-S693 WeakPolarHBondContact O-CB 3.49Å; V689-S693 PolarHBondContact O-N 2.71Å; E691-S693 VanDerWaalsContact C-N 3.33Å; E691-S693 PolarHBondContact O-N 3.41Å; S693-S696 PolarHBondContact O-N 3.34Å; S693-R697 PolarHBondContact O-N 3.01Å |
| 694 | L | 94 | Very high | 92.7 | Very high | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.1 | -53.4 | 176.1 | -179.9 | 61.3 | 0 | 0 | 0 | 111 | E690 E691 S696 R697 L698 E833 L834 L837 | E690-L694 WeakPolarHBondContact O-CB 3.48Å; E690-L694 PolarHBondContact O-N 3.43Å; E691-L694 PolarHBondContact O-N 3.22Å; L694-S696 PolarHBondContact O-N 3.1Å; L694-R697 WeakPolarHBondContact O-CA 3.23Å; L694-R697 WeakPolarHBondContact O-CB 3.47Å; L694-R697 PolarHBondContact O-N 2.88Å; L694-L698 HydrophobicContact CD1-CD1 3.97Å; L694-L698 HydrophobicContact CD1-CD2 4.12Å; L694-L698 HydrophobicContact CD1-CG 3.93Å; L694-L698 HydrophobicContact CD2-CD1 4.46Å; L694-L698 HydrophobicContact CG-CD1 3.88Å; L694-L698 HydrophobicContact CG-CG 4.21Å; L694-L698 WeakPolarHBondContact O-CG 3.41Å; L694-L698 PolarHBondContact O-N 3.31Å; L694-E833 HydrophobicContact CD1-CB 4.44Å; L694-E833 HydrophobicContact CD2-CB 4.47Å; L694-L834 HydrophobicContact CD2-CD1 4.4Å; L694-L837 HydrophobicContact CB-CD2 4.14Å; L694-L837 HydrophobicContact CD2-CB 3.99Å; L694-L837 HydrophobicContact CD2-CD2 3.65Å; L694-L837 HydrophobicContact CD2-CG 4.44Å |
| 695 | K | 91.8 | Very high | 92.8 | Very high | 104 Ų | 104 | 74.7 Ų | 74.7 | 45% | 0.452 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -53.4 | -43.7 | 176.9 | -76.4 | 172.7 | 168.2 | 175.6 | 0 | 111.7 | E691 R697 L698 N699 | E691-K695 HydrophobicContact CG-CD 4.31Å; E691-K695 WeakPolarHBondContact O-CB 3.39Å; E691-K695 WeakPolarHBondContact O-CG 3.34Å; E691-K695 PolarHBondContact O-N 3.21Å; E691-K695 VanDerWaalsContact OE1-CE 3.25Å; E691-K695 WeakPolarHBondContact OE1-CE 3.5Å; E691-K695 IonicContact OE1-NZ 3.4Å; E691-K695 PolarHBondContact OE1-NZ 3.14Å; K695-R697 VanDerWaalsContact C-N 3.32Å; K695-R697 PolarHBondContact O-N 2.92Å; K695-L698 PolarHBondContact O-N 3.41Å; K695-N699 WeakPolarHBondContact O-CB 3.41Å; K695-N699 PolarHBondContact O-N 2.91Å |
| 696 | S | 92.6 | Very high | 92.7 | Very high | 65 Ų | 65 | 72.6 Ų | 72.6 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.4 | -28.5 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 113.6 | E692 S693 L694 R700 | E692-S696 WeakPolarHBondContact O-CB 3.43Å; E692-S696 PolarHBondContact O-N 2.96Å; E692-S696 PolarHBondContact O-OG 3.18Å; S693-S696 PolarHBondContact O-N 3.34Å; L694-S696 PolarHBondContact O-N 3.1Å; S696-R700 PolarHBondContact O-NE 2.86Å; S696-R700 PolarHBondContact O-NH2 3.43Å |
| 697 | R | 93.8 | Very high | 92.7 | Very high | 118 Ų | 118 | 70.9 Ų | 70.9 | 45% | 0.445 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.8 | -54.4 | 171.5 | -177.5 | 176.7 | 76 | -166.1 | 4.6 | 110.7 | S693 L694 K695 N699 R700 D701 E833 | S693-R697 PolarHBondContact O-N 3.01Å; L694-R697 WeakPolarHBondContact O-CA 3.23Å; L694-R697 WeakPolarHBondContact O-CB 3.47Å; L694-R697 PolarHBondContact O-N 2.88Å; K695-R697 VanDerWaalsContact C-N 3.32Å; K695-R697 PolarHBondContact O-N 2.92Å; R697-N699 VanDerWaalsContact C-N 3.26Å; R697-N699 PolarHBondContact O-N 3.11Å; R697-R700 WeakPolarHBondContact O-CA 3.36Å; R697-R700 WeakPolarHBondContact O-CB 3.28Å; R697-R700 PolarHBondContact O-N 3.48Å; R697-D701 PolarHBondContact O-N 2.95Å; R697-E833 IonicContact CZ-OE2 2.82Å; R697-E833 IonicContact NH2-OE2 3.81Å; R697-E833 PolarHBondContact NH2-OE2 3.43Å |
| 698 | L | 92.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -37.1 | -176.4 | -60.5 | -178.6 | 0 | 0 | 0 | 112.1 | L694 K695 D701 Y702 Q830 E833 | L694-L698 HydrophobicContact CD1-CD1 3.97Å; L694-L698 HydrophobicContact CD1-CD2 4.12Å; L694-L698 HydrophobicContact CD1-CG 3.93Å; L694-L698 HydrophobicContact CD2-CD1 4.46Å; L694-L698 HydrophobicContact CG-CD1 3.88Å; L694-L698 HydrophobicContact CG-CG 4.21Å; L694-L698 WeakPolarHBondContact O-CG 3.41Å; L694-L698 PolarHBondContact O-N 3.31Å; K695-L698 PolarHBondContact O-N 3.41Å; L698-D701 PolarHBondContact O-N 3.14Å; L698-Y702 PolarHBondContact O-N 3.09Å; L698-Q830 HydrophobicContact CB-CG 3.94Å; L698-Q830 HydrophobicContact CD1-CB 4Å; L698-Q830 HydrophobicContact CD1-CG 4.13Å; L698-Q830 HydrophobicContact CD2-CG 4.08Å; L698-Q830 HydrophobicContact CG-CG 4.23Å; L698-Q830 PolarHBondContact O-NE2 3.01Å; L698-E833 HydrophobicContact CD1-CB 4.46Å |
| 699 | N | 91.3 | Very high | 92.7 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 174.5 | -170.6 | 72.2 | 0 | 0 | 0 | 113.4 | K695 R697 Y702 E703 | K695-N699 WeakPolarHBondContact O-CB 3.41Å; K695-N699 PolarHBondContact O-N 2.91Å; R697-N699 VanDerWaalsContact C-N 3.26Å; R697-N699 PolarHBondContact O-N 3.11Å; N699-Y702 PolarHBondContact O-N 3.41Å; N699-E703 PolarHBondContact O-N 3.21Å; N699-E703 VanDerWaalsContact O-N 3.1Å |
| 700 | R | 93.2 | Very high | 92.7 | Very high | 156 Ų | 156 | 70.7 Ų | 70.7 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 173.6 | -79.7 | 174.9 | -78.5 | 143.3 | -9.4 | 111.3 | S696 R697 Y702 A704 | S696-R700 PolarHBondContact O-NE 2.86Å; S696-R700 PolarHBondContact O-NH2 3.43Å; R697-R700 WeakPolarHBondContact O-CA 3.36Å; R697-R700 WeakPolarHBondContact O-CB 3.28Å; R697-R700 PolarHBondContact O-N 3.48Å; R700-Y702 VanDerWaalsContact C-N 3.33Å; R700-Y702 PolarHBondContact O-N 3.34Å; R700-A704 VanDerWaalsContact O-CB 3.23Å; R700-A704 WeakPolarHBondContact O-CB 3.29Å; R700-A704 PolarHBondContact O-N 3.11Å |
| 701 | D | 91.9 | Very high | 92.8 | Very high | 68 Ų | 68 | 73 Ų | 73 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.8 | -57.6 | -31 | 0 | 0 | 0 | 111.2 | R697 L698 A704 T705 | R697-D701 PolarHBondContact O-N 2.95Å; L698-D701 PolarHBondContact O-N 3.14Å; D701-A704 PolarHBondContact O-N 3.07Å; D701-T705 PolarHBondContact O-N 2.92Å; D701-T705 PolarHBondContact O-OG1 3.01Å |
| 702 | Y | 92.2 | Very high | 92.9 | Very high | 43 Ų | 43 | 74.1 Ų | 74.1 | 17% | 0.169 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61 | -53.9 | 175.5 | -179.5 | -98.1 | 0 | 0 | 0 | 113 | L698 N699 R700 A704 T705 K706 I823 L826 L827 | L698-Y702 PolarHBondContact O-N 3.09Å; N699-Y702 PolarHBondContact O-N 3.41Å; R700-Y702 VanDerWaalsContact C-N 3.33Å; R700-Y702 PolarHBondContact O-N 3.34Å; Y702-A704 VanDerWaalsContact C-N 3.28Å; Y702-A704 PolarHBondContact O-N 2.86Å; Y702-T705 PolarHBondContact O-N 3.15Å; Y702-K706 HydrophobicContact CD1-CD 4.39Å; Y702-K706 HydrophobicContact CE1-CD 3.71Å; Y702-K706 VanDerWaalsContact O-CB 3.28Å; Y702-K706 WeakPolarHBondContact O-CB 3.46Å; Y702-K706 PolarHBondContact O-N 2.75Å; Y702-I823 HydrophobicContact CE2-CG2 4.14Å; Y702-L826 HydrophobicContact CD2-CD2 4.45Å; Y702-L827 HydrophobicContact CD2-CD2 4.16Å; Y702-L827 HydrophobicContact CE2-CD2 4.11Å |
| 703 | E | 92.6 | Very high | 93 | Very high | 79 Ų | 79 | 71.4 Ų | 71.4 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68 | -28.6 | 178.9 | -71 | -58.8 | 145.1 | 0 | 0 | 112.2 | N699 K706 L707 | N699-E703 PolarHBondContact O-N 3.21Å; N699-E703 VanDerWaalsContact O-N 3.1Å; E703-K706 WeakPolarHBondContact OE1-CE 3.42Å; E703-K706 IonicContact OE1-NZ 3.2Å; E703-K706 PolarHBondContact OE1-NZ 3.46Å; E703-K706 WeakPolarHBondContact OE2-CD 3.42Å; E703-K706 WeakPolarHBondContact OE2-CE 3.24Å; E703-K706 IonicContact OE2-NZ 2.69Å; E703-K706 PolarHBondContact OE2-NZ 3.12Å; E703-L707 WeakPolarHBondContact O-CB 3.32Å; E703-L707 PolarHBondContact O-N 2.96Å |
| 704 | A | 94.1 | Very high | 93 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R700 D701 Y702 L707 A708 | R700-A704 VanDerWaalsContact O-CB 3.23Å; R700-A704 WeakPolarHBondContact O-CB 3.29Å; R700-A704 PolarHBondContact O-N 3.11Å; D701-A704 PolarHBondContact O-N 3.07Å; Y702-A704 VanDerWaalsContact C-N 3.28Å; Y702-A704 PolarHBondContact O-N 2.86Å; A704-L707 PolarHBondContact O-N 3.2Å; A704-A708 WeakPolarHBondContact O-CB 3.38Å; A704-A708 PolarHBondContact O-N 2.82Å |
| 705 | T | 92.6 | Very high | 93.1 | Very high | 36 Ų | 36 | 78.4 Ų | 78.4 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.4 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | D701 Y702 L707 A708 M709 I823 L826 | D701-T705 PolarHBondContact O-N 2.92Å; D701-T705 PolarHBondContact O-OG1 3.01Å; Y702-T705 PolarHBondContact O-N 3.15Å; T705-L707 PolarHBondContact O-N 2.87Å; T705-A708 WeakPolarHBondContact O-CB 3.28Å; T705-A708 PolarHBondContact O-N 3.11Å; T705-M709 WeakPolarHBondContact O-CG 3.4Å; T705-M709 PolarHBondContact O-N 3.16Å; T705-I823 HydrophobicContact CG2-CG1 4.44Å; T705-L826 HydrophobicContact CG2-CD2 4.27Å |
| 706 | K | 90.3 | Very high | 93.3 | Very high | 39 Ų | 39 | 74.6 Ų | 74.6 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 177.2 | -177.5 | 167.7 | 156.2 | -168.7 | 0 | 112.1 | Y702 E703 R710 | Y702-K706 HydrophobicContact CD1-CD 4.39Å; Y702-K706 HydrophobicContact CE1-CD 3.71Å; Y702-K706 VanDerWaalsContact O-CB 3.28Å; Y702-K706 WeakPolarHBondContact O-CB 3.46Å; Y702-K706 PolarHBondContact O-N 2.75Å; E703-K706 WeakPolarHBondContact OE1-CE 3.42Å; E703-K706 IonicContact OE1-NZ 3.2Å; E703-K706 PolarHBondContact OE1-NZ 3.46Å; E703-K706 WeakPolarHBondContact OE2-CD 3.42Å; E703-K706 WeakPolarHBondContact OE2-CE 3.24Å; E703-K706 IonicContact OE2-NZ 2.69Å; E703-K706 PolarHBondContact OE2-NZ 3.12Å; K706-R710 WeakPolarHBondContact O-CG 3.13Å; K706-R710 PolarHBondContact O-N 2.73Å; K706-R710 VanDerWaalsContact O-N 3.12Å |
| 707 | L | 93.1 | Very high | 93.2 | Very high | 90 Ų | 90 | 76.7 Ų | 76.7 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 173.1 | -179.8 | 60.7 | 0 | 0 | 0 | 112.6 | E703 A704 T705 R710 K711 | E703-L707 WeakPolarHBondContact O-CB 3.32Å; E703-L707 PolarHBondContact O-N 2.96Å; A704-L707 PolarHBondContact O-N 3.2Å; T705-L707 PolarHBondContact O-N 2.87Å; L707-R710 PolarHBondContact O-N 2.74Å; L707-K711 WeakPolarHBondContact O-CG 3.46Å; L707-K711 PolarHBondContact O-N 3.35Å; L707-K711 VanDerWaalsContact O-N 3.16Å |
| 708 | A | 94.3 | Very high | 93.3 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A704 T705 R710 K711 E712 | A704-A708 WeakPolarHBondContact O-CB 3.38Å; A704-A708 PolarHBondContact O-N 2.82Å; T705-A708 WeakPolarHBondContact O-CB 3.28Å; T705-A708 PolarHBondContact O-N 3.11Å; A708-R710 PolarHBondContact O-N 3.26Å; A708-K711 WeakPolarHBondContact O-CB 3.36Å; A708-K711 PolarHBondContact O-N 3.01Å; A708-K711 VanDerWaalsContact O-N 3.11Å; A708-E712 PolarHBondContact O-N 3.37Å; A708-E712 VanDerWaalsContact O-N 3.16Å |
| 709 | M | 92.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 81.6 Ų | 81.6 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 176 | -68.2 | -59.2 | 102.9 | 0 | 0 | 112.2 | T705 K711 E712 F713 A819 E822 | T705-M709 WeakPolarHBondContact O-CG 3.4Å; T705-M709 PolarHBondContact O-N 3.16Å; M709-K711 VanDerWaalsContact C-N 3.29Å; M709-K711 PolarHBondContact O-N 3.47Å; M709-E712 PolarHBondContact O-N 3.13Å; M709-F713 VanDerWaalsContact O-CD2 3.3Å; M709-F713 WeakPolarHBondContact O-CD2 3.37Å; M709-F713 PolarHBondContact O-N 2.65Å; M709-A819 HydrophobicContact CB-CB 4.3Å; M709-A819 HydrophobicContact CG-CB 3.9Å; M709-A819 HydrophobicContact SD-CB 3.67Å; M709-E822 WeakPolarHBondContact CE-OE2 3.39Å |
| 710 | R | 92.8 | Very high | 93.5 | Very high | 155 Ų | 155 | 77.9 Ų | 77.9 | 59% | 0.585 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.2 | -39.3 | 174.2 | -74.8 | 177.4 | -175 | -87.3 | 9.2 | 112.7 | K706 L707 A708 F713 M714 | K706-R710 WeakPolarHBondContact O-CG 3.13Å; K706-R710 PolarHBondContact O-N 2.73Å; K706-R710 VanDerWaalsContact O-N 3.12Å; L707-R710 PolarHBondContact O-N 2.74Å; A708-R710 PolarHBondContact O-N 3.26Å; R710-F713 PolarHBondContact O-N 2.68Å; R710-M714 WeakPolarHBondContact O-CG 3.47Å; R710-M714 PolarHBondContact O-N 3.21Å; R710-M714 VanDerWaalsContact O-N 3.12Å |
| 711 | K | 95.1 | Very high | 93.5 | Very high | 104 Ų | 104 | 73.5 Ų | 73.5 | 45% | 0.452 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67 | -37.4 | 177.6 | -71.8 | 172.3 | 179.4 | 178.6 | 0 | 112.6 | L707 A708 M709 M714 R715 | L707-K711 WeakPolarHBondContact O-CG 3.46Å; L707-K711 PolarHBondContact O-N 3.35Å; L707-K711 VanDerWaalsContact O-N 3.16Å; A708-K711 WeakPolarHBondContact O-CB 3.36Å; A708-K711 PolarHBondContact O-N 3.01Å; A708-K711 VanDerWaalsContact O-N 3.11Å; M709-K711 VanDerWaalsContact C-N 3.29Å; M709-K711 PolarHBondContact O-N 3.47Å; K711-M714 HydrophobicContact CB-CE 4.46Å; K711-M714 HydrophobicContact CG-CE 4.04Å; K711-M714 PolarHBondContact O-N 3.39Å; K711-R715 PolarHBondContact O-N 3.28Å; K711-R715 VanDerWaalsContact O-N 3.12Å |
| 712 | E | 94.6 | Very high | 93.5 | Very high | 75 Ų | 75 | 73.2 Ų | 73.2 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.3 | -32.5 | 176.4 | -62.7 | -58.9 | 101.6 | 0 | 0 | 112.4 | A708 M709 R715 L716 L815 | A708-E712 PolarHBondContact O-N 3.37Å; A708-E712 VanDerWaalsContact O-N 3.16Å; M709-E712 PolarHBondContact O-N 3.13Å; E712-R715 IonicContact OE1-CZ 3.95Å; E712-R715 IonicContact OE1-NH1 2.65Å; E712-R715 PolarHBondContact OE1-NH1 2.99Å; E712-L716 PolarHBondContact O-N 3.42Å; E712-L815 HydrophobicContact CB-CD1 4.34Å; E712-L815 HydrophobicContact CB-CD2 4.44Å |
| 713 | F | 94.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 74.2 Ų | 74.2 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 169.8 | -85.8 | -71.8 | 0 | 0 | 0 | 112.3 | M709 R710 R715 L716 E717 Y812 L815 Q816 A819 | M709-F713 VanDerWaalsContact O-CD2 3.3Å; M709-F713 WeakPolarHBondContact O-CD2 3.37Å; M709-F713 PolarHBondContact O-N 2.65Å; R710-F713 PolarHBondContact O-N 2.68Å; F713-R715 VanDerWaalsContact C-N 3.32Å; F713-R715 PolarHBondContact O-N 3.3Å; F713-L716 WeakPolarHBondContact O-CB 3.5Å; F713-L716 PolarHBondContact O-N 3.43Å; F713-L716 VanDerWaalsContact O-N 3.08Å; F713-E717 WeakPolarHBondContact O-CG 3.3Å; F713-E717 PolarHBondContact O-N 3.07Å; F713-Y812 HydrophobicContact CD1-CD2 4.34Å; F713-Y812 AromaticContact CD1-CE2 3.91Å; F713-Y812 HydrophobicContact CD1-CE2 3.91Å; F713-Y812 HydrophobicContact CE1-CD2 4.21Å; F713-Y812 HydrophobicContact CE1-CE1 4.19Å; F713-Y812 AromaticContact CE1-CE2 3.81Å; F713-Y812 HydrophobicContact CE1-CE2 3.81Å; F713-Y812 AromaticContact CE1-CZ 3.8Å; F713-L815 HydrophobicContact CD1-CD2 3.73Å; F713-L815 HydrophobicContact CD1-CG 4.31Å; F713-L815 HydrophobicContact CD2-CD2 4.35Å; F713-L815 HydrophobicContact CE1-CB 4.38Å; F713-L815 HydrophobicContact CE1-CD2 3.94Å; F713-L815 HydrophobicContact CE1-CG 4.03Å; F713-L815 HydrophobicContact CE2-CG 4.32Å; F713-L815 HydrophobicContact CG-CD2 3.94Å; F713-L815 HydrophobicContact CZ-CD2 4.35Å; F713-L815 HydrophobicContact CZ-CG 4.04Å; F713-Q816 HydrophobicContact CZ-CB 4.15Å; F713-A819 HydrophobicContact CE2-CB 4.21Å |
| 714 | M | 94.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 71.7 Ų | 71.7 | 51% | 0.507 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 177.7 | -68.6 | -176 | -61.4 | 0 | 0 | 111.9 | R710 K711 L716 E717 E718 | R710-M714 WeakPolarHBondContact O-CG 3.47Å; R710-M714 PolarHBondContact O-N 3.21Å; R710-M714 VanDerWaalsContact O-N 3.12Å; K711-M714 HydrophobicContact CB-CE 4.46Å; K711-M714 HydrophobicContact CG-CE 4.04Å; K711-M714 PolarHBondContact O-N 3.39Å; M714-L716 VanDerWaalsContact C-N 3.33Å; M714-L716 PolarHBondContact O-N 3.39Å; M714-E717 PolarHBondContact O-N 3.38Å; M714-E718 WeakPolarHBondContact O-CG 3.41Å; M714-E718 PolarHBondContact O-N 2.87Å |
| 715 | R | 95.7 | Very high | 93.2 | Very high | 139 Ų | 139 | 72.6 Ų | 72.6 | 53% | 0.525 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 173.9 | -78.4 | -175 | 173 | 124 | 2.7 | 113.4 | K711 E712 F713 E717 E718 I719 | K711-R715 PolarHBondContact O-N 3.28Å; K711-R715 VanDerWaalsContact O-N 3.12Å; E712-R715 IonicContact OE1-CZ 3.95Å; E712-R715 IonicContact OE1-NH1 2.65Å; E712-R715 PolarHBondContact OE1-NH1 2.99Å; F713-R715 VanDerWaalsContact C-N 3.32Å; F713-R715 PolarHBondContact O-N 3.3Å; R715-E717 VanDerWaalsContact C-N 3.34Å; R715-E718 PolarHBondContact O-N 3.47Å; R715-I719 WeakPolarHBondContact O-CB 3.4Å; R715-I719 WeakPolarHBondContact O-CD1 3.35Å; R715-I719 VanDerWaalsContact O-CG1 3.23Å; R715-I719 WeakPolarHBondContact O-CG1 3.38Å; R715-I719 PolarHBondContact O-N 2.84Å |
| 716 | L | 94.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.3 | -170.8 | 65.1 | 0 | 0 | 0 | 110.8 | E712 F713 M714 I719 H720 Q811 L815 | E712-L716 PolarHBondContact O-N 3.42Å; F713-L716 WeakPolarHBondContact O-CB 3.5Å; F713-L716 PolarHBondContact O-N 3.43Å; F713-L716 VanDerWaalsContact O-N 3.08Å; M714-L716 VanDerWaalsContact C-N 3.33Å; M714-L716 PolarHBondContact O-N 3.39Å; L716-I719 PolarHBondContact O-N 3.41Å; L716-H720 VanDerWaalsContact CD1-NE2 3.34Å; L716-H720 WeakPolarHBondContact CD1-NE2 3.39Å; L716-H720 WeakPolarHBondContact O-CB 3.48Å; L716-H720 PolarHBondContact O-CD2 3.47Å; L716-H720 VanDerWaalsContact O-CD2 3.25Å; L716-H720 PolarHBondContact O-N 2.97Å; L716-Q811 HydrophobicContact CD1-CB 4.19Å; L716-Q811 HydrophobicContact CD2-CB 4.45Å; L716-L815 HydrophobicContact CB-CD2 4.12Å; L716-L815 HydrophobicContact CD2-CB 4.17Å; L716-L815 HydrophobicContact CD2-CD2 3.75Å |
| 717 | E | 92.5 | Very high | 93.1 | Very high | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.8 | -68.7 | 171.5 | 164.7 | 0 | 0 | 112.2 | F713 M714 R715 H720 A721 | F713-E717 WeakPolarHBondContact O-CG 3.3Å; F713-E717 PolarHBondContact O-N 3.07Å; M714-E717 PolarHBondContact O-N 3.38Å; R715-E717 VanDerWaalsContact C-N 3.34Å; E717-H720 PolarHBondContact O-N 2.99Å; E717-A721 WeakPolarHBondContact O-CB 3.3Å; E717-A721 PolarHBondContact O-N 3.19Å |
| 718 | E | 93.9 | Very high | 93 | Very high | 132 Ų | 132 | 77.3 Ų | 77.3 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.2 | -47.4 | 171.5 | -73.3 | 169.8 | 175.4 | 0 | 0 | 112 | M714 R715 A721 A722 | M714-E718 WeakPolarHBondContact O-CG 3.41Å; M714-E718 PolarHBondContact O-N 2.87Å; R715-E718 PolarHBondContact O-N 3.47Å; E718-A721 PolarHBondContact O-N 2.97Å; E718-A722 WeakPolarHBondContact O-CB 3.37Å; E718-A722 PolarHBondContact O-N 3.47Å |
| 719 | I | 94.7 | Very high | 92.9 | Very high | 102 Ų | 102 | 81 Ų | 81 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 177.7 | -69.1 | 164.5 | 0 | 0 | 0 | 111 | R715 L716 A722 E723 | R715-I719 WeakPolarHBondContact O-CB 3.4Å; R715-I719 WeakPolarHBondContact O-CD1 3.35Å; R715-I719 VanDerWaalsContact O-CG1 3.23Å; R715-I719 WeakPolarHBondContact O-CG1 3.38Å; R715-I719 PolarHBondContact O-N 2.84Å; L716-I719 PolarHBondContact O-N 3.41Å; I719-A722 PolarHBondContact O-N 3.25Å; I719-E723 PolarHBondContact O-N 2.89Å |
| 720 | H | 94.3 | Very high | 92.8 | Very high | 23 Ų | 23 | 85.4 Ų | 85.4 | 11% | 0.106 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 179.4 | -72.3 | -175.7 | 0 | 0 | 0 | 112.1 | L716 E717 A722 V724 Q808 Q811 | L716-H720 VanDerWaalsContact CD1-NE2 3.34Å; L716-H720 WeakPolarHBondContact CD1-NE2 3.39Å; L716-H720 WeakPolarHBondContact O-CB 3.48Å; L716-H720 PolarHBondContact O-CD2 3.47Å; L716-H720 VanDerWaalsContact O-CD2 3.25Å; L716-H720 PolarHBondContact O-N 2.97Å; E717-H720 PolarHBondContact O-N 2.99Å; H720-A722 VanDerWaalsContact C-N 3.34Å; H720-V724 WeakPolarHBondContact O-CG2 3.44Å; H720-V724 PolarHBondContact O-N 3.02Å; H720-V724 VanDerWaalsContact O-N 3.17Å; H720-Q808 VanDerWaalsContact CA-NE2 3.32Å; H720-Q808 HydrophobicContact CB-CG 4.17Å; H720-Q808 PolarHBondContact CE1-O 3.18Å; H720-Q808 PolarHBondContact O-NE2 3.4Å; H720-Q811 PolarHBondContact NE2-OE1 3.47Å |
| 721 | A | 92.4 | Very high | 92.7 | Very high | 64 Ų | 64 | 79 Ų | 79 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E717 E718 V724 E725 | E717-A721 WeakPolarHBondContact O-CB 3.3Å; E717-A721 PolarHBondContact O-N 3.19Å; E718-A721 PolarHBondContact O-N 2.97Å; A721-V724 PolarHBondContact O-N 3.41Å; A721-E725 WeakPolarHBondContact O-CB 3.4Å; A721-E725 PolarHBondContact O-N 2.83Å |
| 722 | A | 93.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 79.5 Ų | 79.5 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E718 I719 H720 K726 | E718-A722 WeakPolarHBondContact O-CB 3.37Å; E718-A722 PolarHBondContact O-N 3.47Å; I719-A722 PolarHBondContact O-N 3.25Å; H720-A722 VanDerWaalsContact C-N 3.34Å; A722-K726 WeakPolarHBondContact O-CB 3.38Å; A722-K726 PolarHBondContact O-N 2.86Å |
| 723 | E | 91.8 | Very high | 92.3 | Very high | 64 Ų | 64 | 78.4 Ų | 78.4 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.6 | -35.9 | 179.6 | -162.5 | 66.9 | -155.3 | 0 | 0 | 112.2 | I719 K726 E727 R730 | I719-E723 PolarHBondContact O-N 2.89Å; E723-K726 PolarHBondContact O-N 3.37Å; E723-K726 WeakPolarHBondContact OE1-CD 3.42Å; E723-K726 WeakPolarHBondContact OE1-CE 3.17Å; E723-K726 IonicContact OE1-NZ 3.37Å; E723-K726 PolarHBondContact OE1-NZ 2.85Å; E723-K726 VanDerWaalsContact OE2-CD 3.23Å; E723-K726 WeakPolarHBondContact OE2-CD 3.18Å; E723-K726 IonicContact OE2-NZ 2.78Å; E723-K726 PolarHBondContact OE2-NZ 3.26Å; E723-E727 PolarHBondContact O-N 2.85Å; E723-R730 IonicContact OE1-NH1 2.78Å; E723-R730 PolarHBondContact OE1-NH1 2.88Å |
| 724 | V | 89.5 | Confident | 92.1 | Very high | 27 Ų | 27 | 79.4 Ų | 79.4 | 16% | 0.164 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 173.9 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | H720 A721 K726 E727 R728 I804 | H720-V724 WeakPolarHBondContact O-CG2 3.44Å; H720-V724 PolarHBondContact O-N 3.02Å; H720-V724 VanDerWaalsContact O-N 3.17Å; A721-V724 PolarHBondContact O-N 3.41Å; V724-K726 VanDerWaalsContact C-N 3.35Å; V724-E727 PolarHBondContact O-N 3.33Å; V724-R728 HydrophobicContact CG1-CG 4.5Å; V724-R728 WeakPolarHBondContact O-CG 3.4Å; V724-R728 PolarHBondContact O-N 3.12Å; V724-I804 HydrophobicContact CG2-CG2 4.47Å |
| 725 | E | 90.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 77.9 Ų | 77.9 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.6 | -36.7 | 179.8 | 176.4 | 53.5 | -159.7 | 0 | 0 | 112.2 | A721 R728 K729 | A721-E725 WeakPolarHBondContact O-CB 3.4Å; A721-E725 PolarHBondContact O-N 2.83Å; E725-R728 PolarHBondContact O-N 3.03Å; E725-K729 WeakPolarHBondContact O-CG 3.23Å; E725-K729 PolarHBondContact O-N 3.06Å; E725-K729 WeakPolarHBondContact OE1-CE 3.32Å; E725-K729 IonicContact OE1-NZ 2.71Å; E725-K729 PolarHBondContact OE1-NZ 3.15Å |
| 726 | K | 92.2 | Very high | 91.6 | Very high | 91 Ų | 91 | 73.7 Ų | 73.7 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 171.6 | 179.2 | -164.5 | -177.8 | -162.5 | 0 | 111.9 | A722 E723 V724 K729 R730 | A722-K726 WeakPolarHBondContact O-CB 3.38Å; A722-K726 PolarHBondContact O-N 2.86Å; E723-K726 PolarHBondContact O-N 3.37Å; E723-K726 WeakPolarHBondContact OE1-CD 3.42Å; E723-K726 WeakPolarHBondContact OE1-CE 3.17Å; E723-K726 IonicContact OE1-NZ 3.37Å; E723-K726 PolarHBondContact OE1-NZ 2.85Å; E723-K726 VanDerWaalsContact OE2-CD 3.23Å; E723-K726 WeakPolarHBondContact OE2-CD 3.18Å; E723-K726 IonicContact OE2-NZ 2.78Å; E723-K726 PolarHBondContact OE2-NZ 3.26Å; V724-K726 VanDerWaalsContact C-N 3.35Å; K726-K729 PolarHBondContact O-N 3.48Å; K726-R730 WeakPolarHBondContact O-CG 3.49Å; K726-R730 PolarHBondContact O-N 2.8Å |
| 727 | E | 89.1 | Confident | 91.5 | Very high | 27 Ų | 27 | 78.9 Ų | 78.9 | 13% | 0.126 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.7 | -37.5 | 175.4 | -159.4 | 60.4 | -128.6 | 0 | 0 | 112.7 | E723 V724 K729 R730 A731 I804 | E723-E727 PolarHBondContact O-N 2.85Å; V724-E727 PolarHBondContact O-N 3.33Å; E727-K729 VanDerWaalsContact C-N 3.26Å; E727-K729 PolarHBondContact O-N 3.38Å; E727-R730 CarbonylContact O-C 3.59Å; E727-R730 WeakPolarHBondContact O-CB 3.32Å; E727-R730 PolarHBondContact O-N 2.86Å; E727-R730 VanDerWaalsContact O-N 3.09Å; E727-R730 VanDerWaalsContact OE1-CB 3.28Å; E727-R730 WeakPolarHBondContact OE1-CB 3.24Å; E727-R730 WeakPolarHBondContact OE1-CD 3.32Å; E727-R730 WeakPolarHBondContact OE2-CD 3.36Å; E727-R730 IonicContact OE2-CZ 2.65Å; E727-R730 IonicContact OE2-NE 2.6Å; E727-R730 IonicContact OE2-NH1 3.79Å; E727-R730 PolarHBondContact OE2-NH1 2.86Å; E727-A731 WeakPolarHBondContact O-CB 3.39Å; E727-A731 PolarHBondContact O-N 3.33Å; E727-I804 HydrophobicContact CB-CD1 3.78Å; E727-I804 HydrophobicContact CG-CD1 3.6Å |
| 728 | R | 89.7 | Confident | 91.4 | Very high | 145 Ų | 145 | 74.7 Ų | 74.7 | 55% | 0.547 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.9 | -41.8 | 170.7 | -73.8 | 173.1 | 176.5 | -163.5 | -1.7 | 111.7 | V724 E725 A731 M732 | V724-R728 HydrophobicContact CG1-CG 4.5Å; V724-R728 WeakPolarHBondContact O-CG 3.4Å; V724-R728 PolarHBondContact O-N 3.12Å; E725-R728 PolarHBondContact O-N 3.03Å; R728-A731 PolarHBondContact O-N 3.31Å; R728-M732 WeakPolarHBondContact O-CG 3.43Å; R728-M732 PolarHBondContact O-N 3.06Å |
| 729 | K | 92.1 | Very high | 91.1 | Very high | 121 Ų | 121 | 71.2 Ų | 71.2 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 173.6 | -77.9 | 165.4 | 165.8 | 130.2 | 0 | 113.1 | E725 K726 E727 M732 S733 | E725-K729 WeakPolarHBondContact O-CG 3.23Å; E725-K729 PolarHBondContact O-N 3.06Å; E725-K729 WeakPolarHBondContact OE1-CE 3.32Å; E725-K729 IonicContact OE1-NZ 2.71Å; E725-K729 PolarHBondContact OE1-NZ 3.15Å; K726-K729 PolarHBondContact O-N 3.48Å; E727-K729 VanDerWaalsContact C-N 3.26Å; E727-K729 PolarHBondContact O-N 3.38Å; K729-M732 HydrophobicContact CG-CE 4.21Å; K729-S733 WeakPolarHBondContact O-CB 3.21Å; K729-S733 PolarHBondContact O-N 3.43Å; K729-S733 VanDerWaalsContact O-N 3.14Å |
| 730 | R | 91.1 | Very high | 90.9 | Very high | 109 Ų | 109 | 74.3 Ų | 74.3 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 172 | -74 | 163.9 | 168.6 | 158.8 | -6.4 | 111.3 | E723 K726 E727 M732 S733 V734 | E723-R730 IonicContact OE1-NH1 2.78Å; E723-R730 PolarHBondContact OE1-NH1 2.88Å; K726-R730 WeakPolarHBondContact O-CG 3.49Å; K726-R730 PolarHBondContact O-N 2.8Å; E727-R730 CarbonylContact O-C 3.59Å; E727-R730 WeakPolarHBondContact O-CB 3.32Å; E727-R730 PolarHBondContact O-N 2.86Å; E727-R730 VanDerWaalsContact O-N 3.09Å; E727-R730 VanDerWaalsContact OE1-CB 3.28Å; E727-R730 WeakPolarHBondContact OE1-CB 3.24Å; E727-R730 WeakPolarHBondContact OE1-CD 3.32Å; E727-R730 WeakPolarHBondContact OE2-CD 3.36Å; E727-R730 IonicContact OE2-CZ 2.65Å; E727-R730 IonicContact OE2-NE 2.6Å; E727-R730 IonicContact OE2-NH1 3.79Å; E727-R730 PolarHBondContact OE2-NH1 2.86Å; R730-M732 PolarHBondContact O-N 3.22Å; R730-S733 WeakPolarHBondContact O-CA 3.24Å; R730-S733 VanDerWaalsContact O-CB 3.3Å; R730-S733 WeakPolarHBondContact O-CB 3.27Å; R730-S733 PolarHBondContact O-N 2.9Å; R730-V734 WeakPolarHBondContact O-CG2 3.2Å; R730-V734 PolarHBondContact O-N 3.1Å |
| 731 | A | 89.5 | Confident | 90.7 | Very high | 22 Ų | 22 | 77.9 Ų | 77.9 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.7 | -52.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E727 R728 S733 V734 E735 L797 | E727-A731 WeakPolarHBondContact O-CB 3.39Å; E727-A731 PolarHBondContact O-N 3.33Å; R728-A731 PolarHBondContact O-N 3.31Å; A731-S733 VanDerWaalsContact C-N 3.26Å; A731-S733 PolarHBondContact O-N 3.37Å; A731-V734 PolarHBondContact O-N 2.7Å; A731-V734 VanDerWaalsContact O-N 3.09Å; A731-E735 PolarHBondContact O-N 2.94Å; A731-L797 HydrophobicContact CB-CD1 4.1Å; A731-L797 HydrophobicContact CB-CD2 3.89Å; A731-L797 HydrophobicContact CB-CG 4.44Å |
| 732 | M | 89.6 | Confident | 90.4 | Very high | 113 Ų | 113 | 75 Ų | 75 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.9 | -35.3 | 174.9 | -70.5 | -174.2 | -68.5 | 0 | 0 | 112.7 | R728 K729 R730 S736 | R728-M732 WeakPolarHBondContact O-CG 3.43Å; R728-M732 PolarHBondContact O-N 3.06Å; K729-M732 HydrophobicContact CG-CE 4.21Å; R730-M732 PolarHBondContact O-N 3.22Å; M732-S736 VanDerWaalsContact O-CB 3.27Å; M732-S736 WeakPolarHBondContact O-CB 3.35Å; M732-S736 PolarHBondContact O-N 3.25Å |
| 733 | S | 92.2 | Very high | 90.1 | Very high | 52 Ų | 52 | 76.7 Ų | 76.7 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 174.9 | -166.5 | 0 | 0 | 0 | 0 | 112.2 | K729 R730 A731 K737 | K729-S733 WeakPolarHBondContact O-CB 3.21Å; K729-S733 PolarHBondContact O-N 3.43Å; K729-S733 VanDerWaalsContact O-N 3.14Å; R730-S733 WeakPolarHBondContact O-CA 3.24Å; R730-S733 VanDerWaalsContact O-CB 3.3Å; R730-S733 WeakPolarHBondContact O-CB 3.27Å; R730-S733 PolarHBondContact O-N 2.9Å; A731-S733 VanDerWaalsContact C-N 3.26Å; A731-S733 PolarHBondContact O-N 3.37Å; S733-K737 WeakPolarHBondContact O-CB 3.43Å; S733-K737 WeakPolarHBondContact O-CD 3.43Å; S733-K737 WeakPolarHBondContact O-CG 3.4Å; S733-K737 PolarHBondContact O-N 2.99Å |
| 734 | V | 91.4 | Very high | 89.8 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.9 | -47.6 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | R730 A731 S736 K737 L738 T793 L797 | R730-V734 WeakPolarHBondContact O-CG2 3.2Å; R730-V734 PolarHBondContact O-N 3.1Å; A731-V734 PolarHBondContact O-N 2.7Å; A731-V734 VanDerWaalsContact O-N 3.09Å; V734-S736 PolarHBondContact O-N 2.78Å; V734-K737 PolarHBondContact O-N 3.41Å; V734-L738 WeakPolarHBondContact O-CB 3.36Å; V734-L738 PolarHBondContact O-N 3.34Å; V734-T793 HydrophobicContact CG1-CG2 3.7Å; V734-L797 HydrophobicContact CB-CD2 4.48Å; V734-L797 HydrophobicContact CG1-CD1 4.46Å |
| 735 | E | 88.9 | Confident | 89.6 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.6 | -69.2 | -166.5 | 131.1 | 0 | 0 | 112.1 | A731 K737 L738 A739 K794 L797 | A731-E735 PolarHBondContact O-N 2.94Å; E735-K737 VanDerWaalsContact C-N 3.33Å; E735-K737 PolarHBondContact O-N 2.95Å; E735-L738 PolarHBondContact O-N 3.4Å; E735-A739 WeakPolarHBondContact O-CB 3.41Å; E735-A739 PolarHBondContact O-N 3.22Å; E735-K794 WeakPolarHBondContact OE1-CE 3.33Å; E735-K794 VanDerWaalsContact OE1-CG 3.25Å; E735-K794 WeakPolarHBondContact OE1-CG 3.19Å; E735-L797 HydrophobicContact CG-CD1 3.8Å |
| 736 | S | 90.7 | Very high | 89.2 | Confident | 52 Ų | 52 | 76.8 Ų | 76.8 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 178.5 | -164.9 | 0 | 0 | 0 | 0 | 112.6 | M732 V734 R740 | M732-S736 VanDerWaalsContact O-CB 3.27Å; M732-S736 WeakPolarHBondContact O-CB 3.35Å; M732-S736 PolarHBondContact O-N 3.25Å; V734-S736 PolarHBondContact O-N 2.78Å; S736-R740 WeakPolarHBondContact O-CD 3.4Å; S736-R740 WeakPolarHBondContact O-CG 3.25Å; S736-R740 PolarHBondContact O-N 2.81Å; S736-R740 PolarHBondContact O-NE 3.01Å; S736-R740 PolarHBondContact OG-NE 3.48Å; S736-R740 PolarHBondContact OG-NH2 3.33Å |
| 737 | K | 92.1 | Very high | 88.8 | Confident | 133 Ų | 133 | 76.9 Ų | 76.9 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.3 | -47.9 | 173.1 | -75.4 | 165.4 | -175.2 | 170.7 | 0 | 111.4 | S733 V734 E735 R740 Q741 | S733-K737 WeakPolarHBondContact O-CB 3.43Å; S733-K737 WeakPolarHBondContact O-CD 3.43Å; S733-K737 WeakPolarHBondContact O-CG 3.4Å; S733-K737 PolarHBondContact O-N 2.99Å; V734-K737 PolarHBondContact O-N 3.41Å; E735-K737 VanDerWaalsContact C-N 3.33Å; E735-K737 PolarHBondContact O-N 2.95Å; K737-R740 PolarHBondContact O-N 3.38Å; K737-Q741 PolarHBondContact O-N 3.47Å |
| 738 | L | 89.8 | Confident | 88.5 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 178.3 | -177.4 | 73.7 | 0 | 0 | 0 | 111.5 | V734 E735 R740 Q741 L742 T793 | V734-L738 WeakPolarHBondContact O-CB 3.36Å; V734-L738 PolarHBondContact O-N 3.34Å; E735-L738 PolarHBondContact O-N 3.4Å; L738-R740 VanDerWaalsContact C-N 3.31Å; L738-R740 PolarHBondContact O-N 3.07Å; L738-Q741 PolarHBondContact O-N 2.96Å; L738-Q741 VanDerWaalsContact O-N 3.16Å; L738-L742 HydrophobicContact CD1-CD1 4.13Å; L738-L742 HydrophobicContact CD1-CG 4.29Å; L738-L742 HydrophobicContact CD2-CD1 4.21Å; L738-L742 HydrophobicContact CG-CD1 3.75Å; L738-L742 HydrophobicContact CG-CG 4.27Å; L738-L742 WeakPolarHBondContact O-CB 3.43Å; L738-L742 WeakPolarHBondContact O-CG 3.26Å; L738-L742 PolarHBondContact O-N 3.08Å; L738-T793 HydrophobicContact CD2-CG2 3.98Å; L738-T793 VanDerWaalsContact CD2-OG1 3.32Å; L738-T793 WeakPolarHBondContact CD2-OG1 3.47Å |
| 739 | A | 88.4 | Confident | 87.9 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E735 E743 | E735-A739 WeakPolarHBondContact O-CB 3.41Å; E735-A739 PolarHBondContact O-N 3.22Å; A739-E743 VanDerWaalsContact O-CB 3.27Å; A739-E743 WeakPolarHBondContact O-CB 2.89Å; A739-E743 PolarHBondContact O-N 3.41Å |
| 740 | R | 90.2 | Very high | 87 | Confident | 167 Ų | 167 | 71.8 Ų | 71.8 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 174.7 | -68.2 | 168.1 | -160.1 | -151.2 | 2.5 | 112.1 | S736 K737 L738 E743 T744 | S736-R740 WeakPolarHBondContact O-CD 3.4Å; S736-R740 WeakPolarHBondContact O-CG 3.25Å; S736-R740 PolarHBondContact O-N 2.81Å; S736-R740 PolarHBondContact O-NE 3.01Å; S736-R740 PolarHBondContact OG-NE 3.48Å; S736-R740 PolarHBondContact OG-NH2 3.33Å; K737-R740 PolarHBondContact O-N 3.38Å; L738-R740 VanDerWaalsContact C-N 3.31Å; L738-R740 PolarHBondContact O-N 3.07Å; R740-E743 PolarHBondContact O-N 2.9Å; R740-T744 WeakPolarHBondContact O-CG2 3.46Å; R740-T744 PolarHBondContact O-N 3.49Å; R740-T744 PolarHBondContact O-OG1 2.65Å |
| 741 | Q | 89.5 | Confident | 86.4 | Confident | 98 Ų | 98 | 73.5 Ų | 73.5 | 46% | 0.458 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.9 | -55.6 | 178 | 178.2 | 179.4 | -18 | 0 | 0 | 110.6 | K737 L738 E743 T744 E745 | K737-Q741 PolarHBondContact O-N 3.47Å; L738-Q741 PolarHBondContact O-N 2.96Å; L738-Q741 VanDerWaalsContact O-N 3.16Å; Q741-E743 VanDerWaalsContact C-N 3.27Å; Q741-E743 PolarHBondContact O-N 2.93Å; Q741-T744 WeakPolarHBondContact CA-OG1 3.43Å; Q741-T744 PolarHBondContact O-N 3.02Å; Q741-T744 PolarHBondContact O-OG1 2.84Å; Q741-E745 HydrophobicContact CG-CG 4.5Å; Q741-E745 VanDerWaalsContact CG-OE1 3.23Å; Q741-E745 WeakPolarHBondContact CG-OE1 3.31Å; Q741-E745 PolarHBondContact NE2-OE1 3.11Å; Q741-E745 WeakPolarHBondContact O-CG 3.36Å; Q741-E745 PolarHBondContact O-N 3.25Å |
| 742 | L | 87.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -54.1 | -43.8 | 176.7 | -73 | 172 | 0 | 0 | 0 | 111.5 | L738 E745 T746 E789 | L738-L742 HydrophobicContact CD1-CD1 4.13Å; L738-L742 HydrophobicContact CD1-CG 4.29Å; L738-L742 HydrophobicContact CD2-CD1 4.21Å; L738-L742 HydrophobicContact CG-CD1 3.75Å; L738-L742 HydrophobicContact CG-CG 4.27Å; L738-L742 WeakPolarHBondContact O-CB 3.43Å; L738-L742 WeakPolarHBondContact O-CG 3.26Å; L738-L742 PolarHBondContact O-N 3.08Å; L742-E745 PolarHBondContact O-N 2.6Å; L742-T746 WeakPolarHBondContact O-CG2 3.37Å; L742-T746 PolarHBondContact O-N 2.66Å; L742-E789 HydrophobicContact CD1-CB 4.28Å; L742-E789 HydrophobicContact CD2-CB 4.29Å; L742-E789 WeakPolarHBondContact CD2-OE2 3.42Å |
| 743 | E | 85 | Confident | 84.6 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 175.6 | -160.4 | -156.1 | -165.7 | 0 | 0 | 112 | A739 R740 Q741 E745 T746 K747 | A739-E743 VanDerWaalsContact O-CB 3.27Å; A739-E743 WeakPolarHBondContact O-CB 2.89Å; A739-E743 PolarHBondContact O-N 3.41Å; R740-E743 PolarHBondContact O-N 2.9Å; Q741-E743 VanDerWaalsContact C-N 3.27Å; Q741-E743 PolarHBondContact O-N 2.93Å; E743-E745 VanDerWaalsContact C-N 3.33Å; E743-E745 PolarHBondContact O-N 2.67Å; E743-T746 PolarHBondContact O-N 3.16Å; E743-T746 PolarHBondContact O-OG1 2.69Å; E743-K747 VanDerWaalsContact CD-CE 3.48Å; E743-K747 HydrophobicContact CG-CD 4.31Å; E743-K747 WeakPolarHBondContact O-CB 3.16Å; E743-K747 VanDerWaalsContact O-CG 3.3Å; E743-K747 WeakPolarHBondContact O-CG 3.44Å; E743-K747 PolarHBondContact O-N 3.06Å; E743-K747 VanDerWaalsContact OE1-CE 3.26Å; E743-K747 WeakPolarHBondContact OE1-CE 3.45Å; E743-K747 IonicContact OE1-NZ 2.72Å; E743-K747 PolarHBondContact OE1-NZ 3.4Å; E743-K747 IonicContact OE2-NZ 3.9Å; E743-K747 PolarHBondContact OE2-NZ 2.93Å |
| 744 | T | 87 | Confident | 83.4 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | R740 Q741 K747 S748 | R740-T744 WeakPolarHBondContact O-CG2 3.46Å; R740-T744 PolarHBondContact O-N 3.49Å; R740-T744 PolarHBondContact O-OG1 2.65Å; Q741-T744 WeakPolarHBondContact CA-OG1 3.43Å; Q741-T744 PolarHBondContact O-N 3.02Å; Q741-T744 PolarHBondContact O-OG1 2.84Å; T744-K747 PolarHBondContact O-N 3.02Å; T744-S748 PolarHBondContact O-N 3.14Å |
| 745 | E | 84.5 | Confident | 82.1 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 25% | 0.248 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72 | -39.8 | 176.2 | -68.1 | 178 | -157.6 | 0 | 0 | 112 | Q741 L742 E743 K747 S748 E749 R782 | Q741-E745 HydrophobicContact CG-CG 4.5Å; Q741-E745 VanDerWaalsContact CG-OE1 3.23Å; Q741-E745 WeakPolarHBondContact CG-OE1 3.31Å; Q741-E745 PolarHBondContact NE2-OE1 3.11Å; Q741-E745 WeakPolarHBondContact O-CG 3.36Å; Q741-E745 PolarHBondContact O-N 3.25Å; L742-E745 PolarHBondContact O-N 2.6Å; E743-E745 VanDerWaalsContact C-N 3.33Å; E743-E745 PolarHBondContact O-N 2.67Å; E745-K747 PolarHBondContact O-N 3.38Å; E745-S748 WeakPolarHBondContact CA-OG 3.34Å; E745-S748 PolarHBondContact O-N 3.47Å; E745-S748 VanDerWaalsContact O-N 3.12Å; E745-S748 PolarHBondContact O-OG 2.81Å; E745-E749 PolarHBondContact O-N 3.03Å; E745-R782 IonicContact OE2-CZ 3.65Å; E745-R782 IonicContact OE2-NH1 3.32Å; E745-R782 PolarHBondContact OE2-NH1 2.87Å; E745-R782 IonicContact OE2-NH2 2.65Å; E745-R782 PolarHBondContact OE2-NH2 2.8Å |
| 746 | T | 83.1 | Confident | 80.4 | Confident | 33 Ų | 33 | 82 Ų | 82 | 20% | 0.202 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.1 | -40 | 171.2 | 72.3 | 0 | 0 | 0 | 0 | 111.1 | L742 E743 L750 R782 | L742-T746 WeakPolarHBondContact O-CG2 3.37Å; L742-T746 PolarHBondContact O-N 2.66Å; E743-T746 PolarHBondContact O-N 3.16Å; E743-T746 PolarHBondContact O-OG1 2.69Å; T746-L750 VanDerWaalsContact O-CB 3.26Å; T746-L750 WeakPolarHBondContact O-CB 3.46Å; T746-L750 WeakPolarHBondContact O-CD1 3.34Å; T746-L750 VanDerWaalsContact O-CG 3.24Å; T746-L750 WeakPolarHBondContact O-CG 3.38Å; T746-L750 PolarHBondContact O-N 3.13Å; T746-R782 HydrophobicContact CG2-CG 3.43Å; T746-R782 VanDerWaalsContact CG2-CG 3.43Å |
| 747 | K | 83.8 | Confident | 78.4 | Confident | 92 Ų | 92 | 85.7 Ų | 85.7 | 40% | 0.4 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.7 | -23.9 | 178.8 | -72.3 | 169.1 | -179.2 | 171.4 | 0 | 112.9 | E743 T744 E745 K751 | E743-K747 VanDerWaalsContact CD-CE 3.48Å; E743-K747 HydrophobicContact CG-CD 4.31Å; E743-K747 WeakPolarHBondContact O-CB 3.16Å; E743-K747 VanDerWaalsContact O-CG 3.3Å; E743-K747 WeakPolarHBondContact O-CG 3.44Å; E743-K747 PolarHBondContact O-N 3.06Å; E743-K747 VanDerWaalsContact OE1-CE 3.26Å; E743-K747 WeakPolarHBondContact OE1-CE 3.45Å; E743-K747 IonicContact OE1-NZ 2.72Å; E743-K747 PolarHBondContact OE1-NZ 3.4Å; E743-K747 IonicContact OE2-NZ 3.9Å; E743-K747 PolarHBondContact OE2-NZ 2.93Å; T744-K747 PolarHBondContact O-N 3.02Å; E745-K747 PolarHBondContact O-N 3.38Å; K747-K751 VanDerWaalsContact O-CD 3.23Å; K747-K751 WeakPolarHBondContact O-CD 3.39Å; K747-K751 WeakPolarHBondContact O-CG 3.44Å |
| 748 | S | 82.7 | Confident | 76.4 | Confident | 66 Ų | 66 | 87.6 Ų | 87.6 | 46% | 0.462 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -83.1 | -44.5 | 175.6 | 67.4 | 0 | 0 | 0 | 0 | 111.4 | T744 E745 K751 S752 | T744-S748 PolarHBondContact O-N 3.14Å; E745-S748 WeakPolarHBondContact CA-OG 3.34Å; E745-S748 PolarHBondContact O-N 3.47Å; E745-S748 VanDerWaalsContact O-N 3.12Å; E745-S748 PolarHBondContact O-OG 2.81Å; S748-K751 WeakPolarHBondContact O-CA 3.46Å; S748-K751 WeakPolarHBondContact O-CB 2.9Å; S748-K751 PolarHBondContact O-N 2.8Å; S748-S752 PolarHBondContact O-N 2.72Å |
| 749 | E | 76.2 | Confident | 74.2 | Confident | 73 Ų | 73 | 90 Ų | 90 | 34% | 0.341 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 173.9 | -77 | 179.3 | -145.8 | 0 | 0 | 112.3 | E745 K751 S752 A753 R782 | E745-E749 PolarHBondContact O-N 3.03Å; E749-K751 PolarHBondContact O-N 2.9Å; E749-K751 VanDerWaalsContact O-N 3.13Å; E749-S752 PolarHBondContact O-N 2.71Å; E749-S752 VanDerWaalsContact O-N 3.15Å; E749-S752 PolarHBondContact O-OG 2.88Å; E749-S752 VanDerWaalsContact O-OG 3.06Å; E749-A753 WeakPolarHBondContact O-CB 3.4Å; E749-A753 PolarHBondContact O-N 3.32Å; E749-R782 VanDerWaalsContact CD-CD 3.46Å; E749-R782 VanDerWaalsContact OE1-CD 3.32Å; E749-R782 WeakPolarHBondContact OE1-CD 3.48Å; E749-R782 IonicContact OE1-CZ 3.95Å; E749-R782 IonicContact OE1-NE 3.01Å; E749-R782 IonicContact OE1-NH1 3.67Å; E749-R782 PolarHBondContact OE1-NH1 2.98Å; E749-R782 WeakPolarHBondContact OE2-CD 3.43Å |
| 750 | L | 74.4 | Confident | 71.7 | Confident | 48 Ų | 48 | 92.5 Ų | 92.5 | 25% | 0.251 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -11.3 | 175.3 | -71.3 | 169.9 | 0 | 0 | 0 | 113.5 | T746 K754 I778 R779 | T746-L750 VanDerWaalsContact O-CB 3.26Å; T746-L750 WeakPolarHBondContact O-CB 3.46Å; T746-L750 WeakPolarHBondContact O-CD1 3.34Å; T746-L750 VanDerWaalsContact O-CG 3.24Å; T746-L750 WeakPolarHBondContact O-CG 3.38Å; T746-L750 PolarHBondContact O-N 3.13Å; L750-K754 VanDerWaalsContact O-CD 3.31Å; L750-K754 WeakPolarHBondContact O-CD 3.39Å; L750-K754 VanDerWaalsContact O-CG 3.28Å; L750-K754 WeakPolarHBondContact O-CG 3.23Å; L750-I778 HydrophobicContact CD2-CG2 4.3Å; L750-R779 HydrophobicContact CD2-CG 4.15Å |
| 751 | K | 78.9 | Confident | 69.4 | Low | 144 Ų | 144 | 95 Ų | 95 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -93.9 | -31.5 | 170.6 | -76.4 | 172.5 | -172.5 | 177.7 | 0 | 112.9 | K747 S748 E749 | K747-K751 VanDerWaalsContact O-CD 3.23Å; K747-K751 WeakPolarHBondContact O-CD 3.39Å; K747-K751 WeakPolarHBondContact O-CG 3.44Å; S748-K751 WeakPolarHBondContact O-CA 3.46Å; S748-K751 WeakPolarHBondContact O-CB 2.9Å; S748-K751 PolarHBondContact O-N 2.8Å; E749-K751 PolarHBondContact O-N 2.9Å; E749-K751 VanDerWaalsContact O-N 3.13Å |
| 752 | S | 73.5 | Confident | 66.9 | Low | 74 Ų | 74 | 95.1 Ų | 95.1 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -78.2 | -42.2 | 175.8 | 60 | 0 | 0 | 0 | 0 | 111.8 | S748 E749 K754 K755 | S748-S752 PolarHBondContact O-N 2.72Å; E749-S752 PolarHBondContact O-N 2.71Å; E749-S752 VanDerWaalsContact O-N 3.15Å; E749-S752 PolarHBondContact O-OG 2.88Å; E749-S752 VanDerWaalsContact O-OG 3.06Å; S752-K754 PolarHBondContact O-N 3.04Å; S752-K755 WeakPolarHBondContact O-CB 3.38Å; S752-K755 PolarHBondContact O-N 3.37Å |
| 753 | A | 67 | Low | 64.4 | Low | 25 Ų | 25 | 99.3 Ų | 99.3 | 21% | 0.207 | 55% | 0.55 | C | S | . | * | G | 310 helix | trans | -60 | -27.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E749 K755 S756 L775 I778 | E749-A753 WeakPolarHBondContact O-CB 3.4Å; E749-A753 PolarHBondContact O-N 3.32Å; A753-K755 PolarHBondContact O-N 2.83Å; A753-S756 PolarHBondContact O-OG 3.41Å; A753-L775 HydrophobicContact CB-CD2 4.28Å; A753-I778 HydrophobicContact CB-CD1 3.64Å |
| 754 | K | 66.3 | Low | 62.4 | Low | 155 Ų | 155 | 102.2 Ų | 102.2 | 67% | 0.674 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -78.5 | -1.2 | 173.7 | -73 | -177.4 | -178.2 | -173.3 | 0 | 114.3 | L750 S752 L775 | L750-K754 VanDerWaalsContact O-CD 3.31Å; L750-K754 WeakPolarHBondContact O-CD 3.39Å; L750-K754 VanDerWaalsContact O-CG 3.28Å; L750-K754 WeakPolarHBondContact O-CG 3.23Å; S752-K754 PolarHBondContact O-N 3.04Å; K754-L775 HydrophobicContact CG-CD2 4.36Å |
| 755 | K | 64.6 | Low | 60.1 | Low | 181 Ų | 181 | 105.6 Ų | 105.6 | 79% | 0.787 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -114.8 | -5.6 | -177.2 | -71.3 | -176.2 | 173.5 | -168.3 | 0 | 114.4 | S752 A753 | S752-K755 WeakPolarHBondContact O-CB 3.38Å; S752-K755 PolarHBondContact O-N 3.37Å; A753-K755 PolarHBondContact O-N 2.83Å |
| 756 | S | 53.9 | Low | 57.9 | Low | 62 Ų | 62 | 107.8 Ų | 107.8 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -85.7 | 122.5 | 175.2 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | A753 F758 | A753-S756 PolarHBondContact O-OG 3.41Å; S756-F758 PolarHBondContact O-N 3.35Å |
| 757 | P | 48.2 | Very low | 55.9 | Low | 130 Ų | 130 | 113.3 Ų | 113.3 | 84% | 0.844 | 62% | 0.622 | S | S | * | * | trans | -74 | 114.5 | 175.7 | 29.7 | -32.8 | 0 | 0 | 0 | 110.6 | ||||
| 758 | F | 50.8 | Low | 53.8 | Low | 174 Ų | 174 | 113.6 Ų | 113.6 | 76% | 0.763 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 123.3 | 165.7 | -91.2 | -94.8 | 0 | 0 | 0 | 109.3 | S756 | S756-F758 PolarHBondContact O-N 3.35Š|
| 759 | G | 41.8 | Very low | 51.9 | Low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 158.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 760 | S | 35.9 | Very low | 50.4 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 139.8 | 176 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 761 | F | 42 | Very low | 49 | Very low | 219 Ų | 219 | 123.8 Ų | 123.8 | 96% | 0.961 | 71% | 0.708 | S | S | * | * | trans | -156.3 | 166 | 138 | -103.3 | -66.5 | 0 | 0 | 0 | 110.3 | ||||
| 762 | S | 37.5 | Very low | 47.9 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | -121.4 | 142.8 | -158.9 | -161.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 763 | S | 36 | Very low | 47.5 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | 25.8 | 116.2 | 147.1 | 59.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 764 | H | 43 | Very low | 47.6 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | -159.9 | 135.9 | 111.3 | -121.4 | -100.1 | 0 | 0 | 0 | 112.9 | |||||
| 765 | E | 38.2 | Very low | 47.8 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | 47.6 | 138.9 | 151.7 | -76.1 | 164.4 | 162.5 | 0 | 0 | 125.2 | ||||
| 766 | S | 37.6 | Very low | 48.2 | Very low | 98 Ų | 98 | 114.8 Ų | 114.8 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | trans | 16.8 | 132.4 | 152.4 | 52.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 767 | D | 41 | Very low | 49.2 | Very low | 149 Ų | 149 | 113.4 Ų | 113.4 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | cis | -159.5 | 157.7 | 38.8 | -117.6 | -28.9 | 0 | 0 | 0 | 115.3 | ||||
| 768 | S | 40.4 | Very low | 50.6 | Low | 99 Ų | 99 | 108.9 Ų | 108.9 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | trans | 55.4 | 119.5 | 161.4 | 68.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 769 | S | 42.6 | Very low | 52.1 | Low | 122 Ų | 122 | 106.4 Ų | 106.4 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 50.3 | 113.2 | 151.8 | 57 | 0 | 0 | 0 | 0 | 120.8 | ||
| 770 | G | 44.7 | Very low | 54 | Low | 74 Ų | 74 | 109.5 Ų | 109.5 | 76% | 0.763 | 62% | 0.62 | S | S | * | * | trans | 111.1 | 24.1 | 140.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | S772 | G770-S772 PolarHBondContact O-N 3.26Š| ||
| 771 | H | 45.9 | Very low | 56.2 | Low | 204 Ų | 204 | 112 Ų | 112 | 94% | 0.944 | 61% | 0.613 | S | S | * | * | trans | -62.4 | 94.6 | 170.2 | -90.7 | 6.2 | 0 | 0 | 0 | 112.4 | N773 | H771-N773 PolarHBondContact O-N 3.22Š| ||
| 772 | S | 54.6 | Low | 58.2 | Low | 81 Ų | 81 | 102.5 Ų | 102.5 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | trans | -70.1 | 126.6 | 175.1 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | G770 | G770-S772 PolarHBondContact O-N 3.26Š| ||
| 773 | N | 66.3 | Low | 60.5 | Low | 93 Ų | 93 | 103.3 Ų | 103.3 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | trans | -48.7 | 132.4 | 170.9 | 179.4 | -33 | 0 | 0 | 0 | 110.7 | H771 L775 E776 A777 | H771-N773 PolarHBondContact O-N 3.22Å; N773-L775 PolarHBondContact O-N 3.21Å; N773-L775 VanDerWaalsContact O-N 3.11Å; N773-L775 WeakPolarHBondContact OD1-CB 3.41Å; N773-L775 PolarHBondContact OD1-N 2.92Å; N773-E776 HydrophobicContact CB-CB 4.18Å; N773-E776 WeakPolarHBondContact O-CA 3.46Å; N773-E776 WeakPolarHBondContact O-CB 3.5Å; N773-E776 PolarHBondContact O-N 2.86Å; N773-A777 PolarHBondContact O-N 3.08Å | ||
| 774 | P | 67.9 | Low | 62.9 | Low | 76 Ų | 76 | 102.3 Ų | 102.3 | 49% | 0.494 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -53.2 | -33.6 | 180 | -29.6 | 36.1 | 0 | 0 | 0 | 114.6 | E776 A777 I778 | P774-E776 VanDerWaalsContact C-N 3.34Å; P774-A777 PolarHBondContact O-N 3.1Å; P774-I778 WeakPolarHBondContact O-CD1 3.38Å; P774-I778 VanDerWaalsContact O-CG1 3.28Å; P774-I778 WeakPolarHBondContact O-CG1 3.26Å; P774-I778 PolarHBondContact O-N 3.16Å |
| 775 | L | 71.2 | Confident | 65 | Low | 52 Ų | 52 | 97.7 Ų | 97.7 | 27% | 0.272 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.7 | -31.4 | 174.4 | -70 | 167.9 | 0 | 0 | 0 | 112.5 | A753 K754 N773 I778 R779 | A753-L775 HydrophobicContact CB-CD2 4.28Å; K754-L775 HydrophobicContact CG-CD2 4.36Å; N773-L775 PolarHBondContact O-N 3.21Å; N773-L775 VanDerWaalsContact O-N 3.11Å; N773-L775 WeakPolarHBondContact OD1-CB 3.41Å; N773-L775 PolarHBondContact OD1-N 2.92Å; L775-I778 PolarHBondContact O-N 2.74Å; L775-R779 WeakPolarHBondContact O-CG 3.43Å; L775-R779 PolarHBondContact O-N 3.12Å |
| 776 | E | 72.9 | Confident | 67.3 | Low | 89 Ų | 89 | 91.6 Ų | 91.6 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -75.3 | -39.5 | 175.5 | -157.3 | 57.1 | -128.9 | 0 | 0 | 111.3 | N773 P774 I778 R779 K780 | N773-E776 HydrophobicContact CB-CB 4.18Å; N773-E776 WeakPolarHBondContact O-CA 3.46Å; N773-E776 WeakPolarHBondContact O-CB 3.5Å; N773-E776 PolarHBondContact O-N 2.86Å; P774-E776 VanDerWaalsContact C-N 3.34Å; E776-I778 PolarHBondContact O-N 3.41Å; E776-R779 PolarHBondContact O-N 3Å; E776-R779 WeakPolarHBondContact OE1-CD 3.46Å; E776-R779 WeakPolarHBondContact OE2-CD 3.43Å; E776-R779 IonicContact OE2-CZ 3.14Å; E776-R779 IonicContact OE2-NE 2.65Å; E776-R779 IonicContact OE2-NH1 2.66Å; E776-R779 PolarHBondContact OE2-NH1 3.44Å; E776-K780 WeakPolarHBondContact O-CB 3.49Å; E776-K780 PolarHBondContact O-N 2.77Å |
| 777 | A | 74.9 | Confident | 69.8 | Low | 33 Ų | 33 | 88.4 Ų | 88.4 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -22.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | N773 P774 R781 | N773-A777 PolarHBondContact O-N 3.08Å; P774-A777 PolarHBondContact O-N 3.1Å; A777-R781 WeakPolarHBondContact O-CG 3.48Å; A777-R781 PolarHBondContact O-N 3.07Å; A777-R781 PolarHBondContact O-NE 3.35Å |
| 778 | I | 78.3 | Confident | 72.1 | Confident | 35 Ų | 35 | 83.2 Ų | 83.2 | 18% | 0.179 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -79.6 | -48.7 | 169.4 | -70.5 | 165.1 | 0 | 0 | 0 | 110.8 | L750 A753 P774 L775 E776 K780 R781 R782 | L750-I778 HydrophobicContact CD2-CG2 4.3Å; A753-I778 HydrophobicContact CB-CD1 3.64Å; P774-I778 WeakPolarHBondContact O-CD1 3.38Å; P774-I778 VanDerWaalsContact O-CG1 3.28Å; P774-I778 WeakPolarHBondContact O-CG1 3.26Å; P774-I778 PolarHBondContact O-N 3.16Å; L775-I778 PolarHBondContact O-N 2.74Å; E776-I778 PolarHBondContact O-N 3.41Å; I778-K780 VanDerWaalsContact C-N 3.33Å; I778-K780 PolarHBondContact O-N 2.88Å; I778-R781 PolarHBondContact O-N 2.98Å; I778-R782 WeakPolarHBondContact O-CB 3.04Å; I778-R782 PolarHBondContact O-N 2.93Å |
| 779 | R | 80.8 | Confident | 74.4 | Confident | 121 Ų | 121 | 81.4 Ų | 81.4 | 46% | 0.457 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -52.4 | -50.1 | 175.1 | -77 | 178 | -176.3 | 125.2 | -1.9 | 111.9 | L750 L775 E776 R782 H783 | L750-R779 HydrophobicContact CD2-CG 4.15Å; L775-R779 WeakPolarHBondContact O-CG 3.43Å; L775-R779 PolarHBondContact O-N 3.12Å; E776-R779 PolarHBondContact O-N 3Å; E776-R779 WeakPolarHBondContact OE1-CD 3.46Å; E776-R779 WeakPolarHBondContact OE2-CD 3.43Å; E776-R779 IonicContact OE2-CZ 3.14Å; E776-R779 IonicContact OE2-NE 2.65Å; E776-R779 IonicContact OE2-NH1 2.66Å; E776-R779 PolarHBondContact OE2-NH1 3.44Å; R779-R782 PolarHBondContact O-N 3.31Å; R779-H783 VanDerWaalsContact O-CB 3.31Å; R779-H783 WeakPolarHBondContact O-CB 3.29Å; R779-H783 PolarHBondContact O-N 2.95Å |
| 780 | K | 82.9 | Confident | 76.7 | Confident | 138 Ų | 138 | 77.9 Ų | 77.9 | 60% | 0.6 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.5 | -55 | 179.8 | -174.8 | 176.3 | 178.6 | -176.6 | 0 | 111.4 | E776 I778 R782 H783 D784 | E776-K780 WeakPolarHBondContact O-CB 3.49Å; E776-K780 PolarHBondContact O-N 2.77Å; I778-K780 VanDerWaalsContact C-N 3.33Å; I778-K780 PolarHBondContact O-N 2.88Å; K780-R782 VanDerWaalsContact C-N 3.29Å; K780-R782 PolarHBondContact O-N 3.21Å; K780-H783 WeakPolarHBondContact O-CB 3.43Å; K780-H783 PolarHBondContact O-N 2.7Å; K780-H783 VanDerWaalsContact O-N 3.1Å; K780-D784 WeakPolarHBondContact CG-OD2 3.36Å; K780-D784 PolarHBondContact O-N 3.06Å |
| 781 | R | 82.4 | Confident | 79 | Confident | 163 Ų | 163 | 75 Ų | 75 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.6 | -42.4 | 177.8 | -76.5 | -176.7 | -67.2 | 156.3 | -3.9 | 112.8 | A777 I778 D784 V785 | A777-R781 WeakPolarHBondContact O-CG 3.48Å; A777-R781 PolarHBondContact O-N 3.07Å; A777-R781 PolarHBondContact O-NE 3.35Å; I778-R781 PolarHBondContact O-N 2.98Å; R781-D784 PolarHBondContact O-N 3.18Å; R781-V785 WeakPolarHBondContact O-CG2 3.33Å; R781-V785 PolarHBondContact O-N 3.25Å |
| 782 | R | 83.7 | Confident | 81.1 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.3 | -34.5 | 179.3 | -170.6 | 70.4 | -129 | -161.8 | -3.4 | 112.3 | E745 T746 E749 I778 R779 K780 S786 | E745-R782 IonicContact OE2-CZ 3.65Å; E745-R782 IonicContact OE2-NH1 3.32Å; E745-R782 PolarHBondContact OE2-NH1 2.87Å; E745-R782 IonicContact OE2-NH2 2.65Å; E745-R782 PolarHBondContact OE2-NH2 2.8Å; T746-R782 HydrophobicContact CG2-CG 3.43Å; T746-R782 VanDerWaalsContact CG2-CG 3.43Å; E749-R782 VanDerWaalsContact CD-CD 3.46Å; E749-R782 VanDerWaalsContact OE1-CD 3.32Å; E749-R782 WeakPolarHBondContact OE1-CD 3.48Å; E749-R782 IonicContact OE1-CZ 3.95Å; E749-R782 IonicContact OE1-NE 3.01Å; E749-R782 IonicContact OE1-NH1 3.67Å; E749-R782 PolarHBondContact OE1-NH1 2.98Å; E749-R782 WeakPolarHBondContact OE2-CD 3.43Å; I778-R782 WeakPolarHBondContact O-CB 3.04Å; I778-R782 PolarHBondContact O-N 2.93Å; R779-R782 PolarHBondContact O-N 3.31Å; K780-R782 VanDerWaalsContact C-N 3.29Å; K780-R782 PolarHBondContact O-N 3.21Å; R782-S786 WeakPolarHBondContact O-CB 3.34Å; R782-S786 PolarHBondContact O-N 2.94Å |
| 783 | H | 85.5 | Confident | 82.9 | Confident | 118 Ų | 118 | 65.5 Ų | 65.5 | 55% | 0.546 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 170.5 | 171.2 | -84.4 | 0 | 0 | 0 | 111.6 | R779 K780 S786 T787 | R779-H783 VanDerWaalsContact O-CB 3.31Å; R779-H783 WeakPolarHBondContact O-CB 3.29Å; R779-H783 PolarHBondContact O-N 2.95Å; K780-H783 WeakPolarHBondContact O-CB 3.43Å; K780-H783 PolarHBondContact O-N 2.7Å; K780-H783 VanDerWaalsContact O-N 3.1Å; H783-S786 WeakPolarHBondContact O-CB 3.48Å; H783-S786 PolarHBondContact O-N 3.29Å; H783-T787 WeakPolarHBondContact O-CB 2.8Å; H783-T787 PolarHBondContact O-N 2.95Å; H783-T787 PolarHBondContact O-OG1 2.93Å |
| 784 | D | 86.7 | Confident | 84.1 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | -178.7 | -58.5 | -16.5 | 0 | 0 | 0 | 110.7 | K780 R781 T787 L788 | K780-D784 WeakPolarHBondContact CG-OD2 3.36Å; K780-D784 PolarHBondContact O-N 3.06Å; R781-D784 PolarHBondContact O-N 3.18Å; D784-T787 PolarHBondContact O-N 2.89Å; D784-L788 WeakPolarHBondContact O-CB 3.49Å; D784-L788 PolarHBondContact O-N 3.36Å |
| 785 | V | 86.7 | Confident | 85.2 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 170.3 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | R781 T787 L788 E789 | R781-V785 WeakPolarHBondContact O-CG2 3.33Å; R781-V785 PolarHBondContact O-N 3.25Å; V785-T787 VanDerWaalsContact C-N 3.28Å; V785-T787 PolarHBondContact O-N 3.48Å; V785-L788 PolarHBondContact O-N 3.42Å; V785-E789 PolarHBondContact O-N 3.1Å |
| 786 | S | 87 | Confident | 86.2 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -39.6 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | R782 H783 T790 | R782-S786 WeakPolarHBondContact O-CB 3.34Å; R782-S786 PolarHBondContact O-N 2.94Å; H783-S786 WeakPolarHBondContact O-CB 3.48Å; H783-S786 PolarHBondContact O-N 3.29Å; S786-T790 WeakPolarHBondContact O-CB 3.12Å; S786-T790 PolarHBondContact O-N 3.22Å; S786-T790 PolarHBondContact O-OG1 2.74Å |
| 787 | T | 89.5 | Confident | 87.1 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.3 | -43.7 | 176.9 | -52.9 | 0 | 0 | 0 | 0 | 111 | H783 D784 V785 T790 R791 L1103 I1105 | H783-T787 WeakPolarHBondContact O-CB 2.8Å; H783-T787 PolarHBondContact O-N 2.95Å; H783-T787 PolarHBondContact O-OG1 2.93Å; D784-T787 PolarHBondContact O-N 2.89Å; V785-T787 VanDerWaalsContact C-N 3.28Å; V785-T787 PolarHBondContact O-N 3.48Å; T787-T790 PolarHBondContact O-N 2.96Å; T787-R791 WeakPolarHBondContact O-CG 3.47Å; T787-R791 PolarHBondContact O-N 2.93Å; T787-L1103 HydrophobicContact CG2-CD1 3.68Å; T787-I1105 HydrophobicContact CG2-CD1 3.76Å |
| 788 | L | 89 | Confident | 87.8 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 176 | 176.8 | 61.6 | 0 | 0 | 0 | 112.5 | D784 V785 R791 K792 I1105 A1109 V1110 | D784-L788 WeakPolarHBondContact O-CB 3.49Å; D784-L788 PolarHBondContact O-N 3.36Å; V785-L788 PolarHBondContact O-N 3.42Å; L788-R791 PolarHBondContact O-N 3.39Å; L788-K792 HydrophobicContact CG-CD 4.29Å; L788-K792 VanDerWaalsContact O-CG 3.3Å; L788-K792 WeakPolarHBondContact O-CG 3.22Å; L788-K792 PolarHBondContact O-N 2.72Å; L788-I1105 HydrophobicContact CD1-CG2 3.76Å; L788-A1109 HydrophobicContact CD1-CB 4.15Å; L788-V1110 HydrophobicContact CD1-CG2 4.05Å |
| 789 | E | 89.1 | Confident | 88.4 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.9 | -38.7 | 176.4 | -73.4 | -172.8 | -162.6 | 0 | 0 | 112.7 | L742 V785 R791 K792 T793 | L742-E789 HydrophobicContact CD1-CB 4.28Å; L742-E789 HydrophobicContact CD2-CB 4.29Å; L742-E789 WeakPolarHBondContact CD2-OE2 3.42Å; V785-E789 PolarHBondContact O-N 3.1Å; E789-R791 VanDerWaalsContact C-N 3.32Å; E789-R791 PolarHBondContact O-N 2.86Å; E789-K792 PolarHBondContact O-N 3.25Å; E789-T793 PolarHBondContact O-N 3.34Å; E789-T793 PolarHBondContact O-OG1 2.84Å |
| 790 | T | 90.4 | Very high | 88.8 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 171.6 | -58.8 | 0 | 0 | 0 | 0 | 111 | S786 T787 K794 | S786-T790 WeakPolarHBondContact O-CB 3.12Å; S786-T790 PolarHBondContact O-N 3.22Å; S786-T790 PolarHBondContact O-OG1 2.74Å; T787-T790 PolarHBondContact O-N 2.96Å; T790-K794 HydrophobicContact CG2-CD 4.28Å; T790-K794 WeakPolarHBondContact O-CB 3.4Å; T790-K794 WeakPolarHBondContact O-CG 3.24Å; T790-K794 PolarHBondContact O-N 2.86Å |
| 791 | R | 92.4 | Very high | 89.2 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 174 | -75.4 | -68.2 | -173.5 | -159.3 | -9.5 | 112.5 | T787 L788 E789 T793 K794 R795 F1096 E1099 T1100 I1105 V1110 | T787-R791 WeakPolarHBondContact O-CG 3.47Å; T787-R791 PolarHBondContact O-N 2.93Å; L788-R791 PolarHBondContact O-N 3.39Å; E789-R791 VanDerWaalsContact C-N 3.32Å; E789-R791 PolarHBondContact O-N 2.86Å; R791-T793 VanDerWaalsContact C-N 3.34Å; R791-T793 PolarHBondContact O-N 2.86Å; R791-K794 PolarHBondContact O-N 3.4Å; R791-R795 WeakPolarHBondContact O-CB 3.5Å; R791-R795 PolarHBondContact O-N 2.65Å; R791-F1096 HydrophobicContact CB-CZ 4.27Å; R791-F1096 WeakPolarHBondContact O-CZ 3.34Å; R791-E1099 IonicContact CZ-OE1 3.26Å; R791-E1099 IonicContact CZ-OE2 3.65Å; R791-E1099 IonicContact NH1-OE1 2.74Å; R791-E1099 PolarHBondContact NH1-OE1 3.44Å; R791-E1099 IonicContact NH1-OE2 2.73Å; R791-E1099 PolarHBondContact NH1-OE2 2.9Å; R791-E1099 PolarHBondContact NH2-O 3.35Å; R791-E1099 VanDerWaalsContact NH2-O 3.16Å; R791-E1099 IonicContact NH2-OE1 3.8Å; R791-E1099 PolarHBondContact NH2-OE1 3.43Å; R791-E1099 IonicContact NH2-OE2 3.39Å; R791-T1100 WeakPolarHBondContact CD-OG1 3.38Å; R791-T1100 HydrophobicContact CG-CG2 4.43Å; R791-I1105 HydrophobicContact CG-CD1 4.06Å; R791-V1110 HydrophobicContact CB-CG1 4.11Å; R791-V1110 HydrophobicContact CB-CG2 4.18Å |
| 792 | K | 91.6 | Very high | 89.7 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.7 | -49 | 176.5 | -76.6 | 164.7 | 177 | 171.4 | 0 | 111.4 | L788 E789 R795 L796 A1109 V1110 A1113 | L788-K792 HydrophobicContact CG-CD 4.29Å; L788-K792 VanDerWaalsContact O-CG 3.3Å; L788-K792 WeakPolarHBondContact O-CG 3.22Å; L788-K792 PolarHBondContact O-N 2.72Å; E789-K792 PolarHBondContact O-N 3.25Å; K792-R795 PolarHBondContact O-N 2.73Å; K792-L796 PolarHBondContact O-N 3.13Å; K792-A1109 WeakPolarHBondContact CE-O 3.43Å; K792-V1110 HydrophobicContact CG-CG1 4.16Å; K792-A1113 HydrophobicContact CB-CB 4.3Å; K792-A1113 HydrophobicContact CD-CB 3.76Å; K792-A1113 HydrophobicContact CG-CB 3.87Å |
| 793 | T | 90.9 | Very high | 90.1 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 179 | -63.2 | 0 | 0 | 0 | 0 | 112 | V734 L738 E789 R791 R795 L796 L797 | V734-T793 HydrophobicContact CG1-CG2 3.7Å; L738-T793 HydrophobicContact CD2-CG2 3.98Å; L738-T793 VanDerWaalsContact CD2-OG1 3.32Å; L738-T793 WeakPolarHBondContact CD2-OG1 3.47Å; E789-T793 PolarHBondContact O-N 3.34Å; E789-T793 PolarHBondContact O-OG1 2.84Å; R791-T793 VanDerWaalsContact C-N 3.34Å; R791-T793 PolarHBondContact O-N 2.86Å; T793-R795 VanDerWaalsContact C-N 3.34Å; T793-R795 PolarHBondContact O-N 3.31Å; T793-L796 PolarHBondContact O-N 3.41Å; T793-L797 HydrophobicContact CG2-CD1 3.91Å; T793-L797 HydrophobicContact CG2-CG 4.38Å; T793-L797 VanDerWaalsContact O-CG 3.31Å; T793-L797 WeakPolarHBondContact O-CG 3.14Å; T793-L797 PolarHBondContact O-N 3.02Å |
| 794 | K | 91.7 | Very high | 90.4 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 38% | 0.378 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 175.8 | -78.5 | -177.5 | 169.5 | -174.1 | 0 | 113.1 | E735 T790 R791 L797 L798 F1096 | E735-K794 WeakPolarHBondContact OE1-CE 3.33Å; E735-K794 VanDerWaalsContact OE1-CG 3.25Å; E735-K794 WeakPolarHBondContact OE1-CG 3.19Å; T790-K794 HydrophobicContact CG2-CD 4.28Å; T790-K794 WeakPolarHBondContact O-CB 3.4Å; T790-K794 WeakPolarHBondContact O-CG 3.24Å; T790-K794 PolarHBondContact O-N 2.86Å; R791-K794 PolarHBondContact O-N 3.4Å; K794-L797 PolarHBondContact O-N 3.18Å; K794-L798 WeakPolarHBondContact O-CB 3.22Å; K794-L798 PolarHBondContact O-N 3.07Å; K794-F1096 HydrophobicContact CB-CE2 3.67Å; K794-F1096 HydrophobicContact CB-CZ 4.11Å |
| 795 | R | 92.2 | Very high | 90.7 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68 | -37.8 | 177.7 | -154.4 | 175.1 | -168.8 | -78.2 | 3.4 | 112 | R791 K792 T793 T799 F1096 D1097 V1110 | R791-R795 WeakPolarHBondContact O-CB 3.5Å; R791-R795 PolarHBondContact O-N 2.65Å; K792-R795 PolarHBondContact O-N 2.73Å; T793-R795 VanDerWaalsContact C-N 3.34Å; T793-R795 PolarHBondContact O-N 3.31Å; R795-T799 PolarHBondContact O-N 3.3Å; R795-T799 VanDerWaalsContact O-N 3.1Å; R795-T799 PolarHBondContact O-OG1 2.82Å; R795-F1096 HydrophobicContact CB-CD1 4.25Å; R795-F1096 HydrophobicContact CB-CE1 3.6Å; R795-F1096 HydrophobicContact CB-CZ 3.83Å; R795-F1096 HydrophobicContact CG-CD1 3.84Å; R795-F1096 HydrophobicContact CG-CE1 3.63Å; R795-F1096 HydrophobicContact CG-CZ 4.33Å; R795-D1097 IonicContact CZ-OD1 3.86Å; R795-D1097 IonicContact CZ-OD2 3.87Å; R795-D1097 IonicContact NE-OD1 3.01Å; R795-D1097 PolarHBondContact NE-OD1 3.43Å; R795-D1097 IonicContact NE-OD2 2.68Å; R795-D1097 VanDerWaalsContact NH2-CG 3.35Å; R795-D1097 IonicContact NH2-OD1 3.35Å; R795-D1097 PolarHBondContact NH2-OD1 3.25Å; R795-D1097 IonicContact NH2-OD2 3.42Å; R795-D1097 PolarHBondContact NH2-OD2 3.41Å; R795-V1110 HydrophobicContact CB-CG1 3.86Å; R795-V1110 HydrophobicContact CG-CG1 4.35Å |
| 796 | L | 90.7 | Very high | 91 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 173.5 | 178.8 | 62.6 | 0 | 0 | 0 | 111.5 | K792 T793 L798 T799 Q800 | K792-L796 PolarHBondContact O-N 3.13Å; T793-L796 PolarHBondContact O-N 3.41Å; L796-L798 VanDerWaalsContact C-N 3.33Å; L796-L798 PolarHBondContact O-N 3.43Å; L796-T799 PolarHBondContact O-N 3.33Å; L796-T799 VanDerWaalsContact O-N 3.14Å; L796-Q800 WeakPolarHBondContact O-CG 3.44Å; L796-Q800 PolarHBondContact O-N 2.98Å |
| 797 | L | 91.7 | Very high | 91.4 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 177.1 | -68.5 | 171.1 | 0 | 0 | 0 | 112.2 | A731 V734 E735 T793 K794 T799 Q800 L801 | A731-L797 HydrophobicContact CB-CD1 4.1Å; A731-L797 HydrophobicContact CB-CD2 3.89Å; A731-L797 HydrophobicContact CB-CG 4.44Å; V734-L797 HydrophobicContact CB-CD2 4.48Å; V734-L797 HydrophobicContact CG1-CD1 4.46Å; E735-L797 HydrophobicContact CG-CD1 3.8Å; T793-L797 HydrophobicContact CG2-CD1 3.91Å; T793-L797 HydrophobicContact CG2-CG 4.38Å; T793-L797 VanDerWaalsContact O-CG 3.31Å; T793-L797 WeakPolarHBondContact O-CG 3.14Å; T793-L797 PolarHBondContact O-N 3.02Å; K794-L797 PolarHBondContact O-N 3.18Å; L797-T799 VanDerWaalsContact C-N 3.34Å; L797-T799 PolarHBondContact O-N 3.4Å; L797-Q800 PolarHBondContact O-N 2.81Å; L797-L801 PolarHBondContact O-N 2.56Å |
| 798 | L | 91.2 | Very high | 91.6 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 172.7 | 177 | 60.7 | 0 | 0 | 0 | 111.3 | K794 L796 L801 Q802 A1092 V1093 F1096 | K794-L798 WeakPolarHBondContact O-CB 3.22Å; K794-L798 PolarHBondContact O-N 3.07Å; L796-L798 VanDerWaalsContact C-N 3.33Å; L796-L798 PolarHBondContact O-N 3.43Å; L798-L801 PolarHBondContact O-N 2.9Å; L798-Q802 VanDerWaalsContact O-CG 3.29Å; L798-Q802 WeakPolarHBondContact O-CG 3.43Å; L798-Q802 PolarHBondContact O-N 2.91Å; L798-Q802 VanDerWaalsContact O-N 3.09Å; L798-A1092 HydrophobicContact CD1-CB 4.19Å; L798-V1093 HydrophobicContact CD2-CG2 4.25Å; L798-F1096 HydrophobicContact CD2-CB 3.96Å; L798-F1096 HydrophobicContact CD2-CG 4.23Å |
| 799 | T | 89.4 | Confident | 91.8 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 31% | 0.307 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.7 | -42 | 179.8 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | R795 L796 L797 L801 Q802 D803 | R795-T799 PolarHBondContact O-N 3.3Å; R795-T799 VanDerWaalsContact O-N 3.1Å; R795-T799 PolarHBondContact O-OG1 2.82Å; L796-T799 PolarHBondContact O-N 3.33Å; L796-T799 VanDerWaalsContact O-N 3.14Å; L797-T799 VanDerWaalsContact C-N 3.34Å; L797-T799 PolarHBondContact O-N 3.4Å; T799-L801 VanDerWaalsContact C-N 3.33Å; T799-L801 PolarHBondContact O-N 3.01Å; T799-Q802 WeakPolarHBondContact O-CB 3.44Å; T799-Q802 PolarHBondContact O-N 3.48Å; T799-Q802 VanDerWaalsContact O-N 3.09Å; T799-D803 PolarHBondContact O-N 3.19Å |
| 800 | Q | 90.3 | Very high | 92.1 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 36% | 0.355 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -39 | 176.5 | -72.6 | 172.7 | -20.2 | 0 | 0 | 112.5 | L796 L797 D803 I804 | L796-Q800 WeakPolarHBondContact O-CG 3.44Å; L796-Q800 PolarHBondContact O-N 2.98Å; L797-Q800 PolarHBondContact O-N 2.81Å; Q800-D803 PolarHBondContact O-N 2.99Å; Q800-I804 WeakPolarHBondContact O-CG1 3.47Å; Q800-I804 PolarHBondContact O-N 2.85Å |
| 801 | L | 90.8 | Very high | 92.3 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 174 | -174.7 | 63.5 | 0 | 0 | 0 | 112 | L797 L798 T799 I804 E805 | L797-L801 PolarHBondContact O-N 2.56Å; L798-L801 PolarHBondContact O-N 2.9Å; T799-L801 VanDerWaalsContact C-N 3.33Å; T799-L801 PolarHBondContact O-N 3.01Å; L801-I804 PolarHBondContact O-N 3.48Å; L801-E805 PolarHBondContact O-N 3.26Å |
| 802 | Q | 92.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 175.7 | -70.2 | 179 | -12 | 0 | 0 | 112.1 | L798 T799 I804 E805 M806 H1089 | L798-Q802 VanDerWaalsContact O-CG 3.29Å; L798-Q802 WeakPolarHBondContact O-CG 3.43Å; L798-Q802 PolarHBondContact O-N 2.91Å; L798-Q802 VanDerWaalsContact O-N 3.09Å; T799-Q802 WeakPolarHBondContact O-CB 3.44Å; T799-Q802 PolarHBondContact O-N 3.48Å; T799-Q802 VanDerWaalsContact O-N 3.09Å; Q802-I804 VanDerWaalsContact C-N 3.29Å; Q802-I804 PolarHBondContact O-N 3.46Å; Q802-E805 PolarHBondContact O-N 2.88Å; Q802-M806 WeakPolarHBondContact O-CB 3.35Å; Q802-M806 WeakPolarHBondContact O-CG 3.45Å; Q802-M806 PolarHBondContact O-N 2.91Å; Q802-H1089 HydrophobicContact CG-CB 4.18Å; Q802-H1089 PolarHBondContact NE2-O 3.48Å; Q802-H1089 PolarHBondContact O-CE1 2.92Å; Q802-H1089 VanDerWaalsContact O-CE1 3.31Å |
| 803 | D | 92.2 | Very high | 92.5 | Very high | 101 Ų | 101 | 48.9 Ų | 48.9 | 54% | 0.54 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.2 | -38 | 174.5 | -76.4 | -38.8 | 0 | 0 | 0 | 112.2 | T799 Q800 E807 | T799-D803 PolarHBondContact O-N 3.19Å; Q800-D803 PolarHBondContact O-N 2.99Å; D803-E807 PolarHBondContact O-N 3.19Å |
| 804 | I | 92.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 53.7 Ų | 53.7 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -51.7 | 174.7 | -68 | 170.1 | 0 | 0 | 0 | 111.1 | V724 E727 Q800 L801 Q802 M806 E807 Q808 | V724-I804 HydrophobicContact CG2-CG2 4.47Å; E727-I804 HydrophobicContact CB-CD1 3.78Å; E727-I804 HydrophobicContact CG-CD1 3.6Å; Q800-I804 WeakPolarHBondContact O-CG1 3.47Å; Q800-I804 PolarHBondContact O-N 2.85Å; L801-I804 PolarHBondContact O-N 3.48Å; Q802-I804 VanDerWaalsContact C-N 3.29Å; Q802-I804 PolarHBondContact O-N 3.46Å; I804-M806 PolarHBondContact O-N 2.91Å; I804-E807 PolarHBondContact O-N 2.78Å; I804-Q808 HydrophobicContact CG2-CG 4.3Å; I804-Q808 WeakPolarHBondContact O-CG 3.4Å; I804-Q808 PolarHBondContact O-N 3.46Å |
| 805 | E | 93.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.229 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.8 | -36 | 177.1 | -71.7 | -167.1 | -174.3 | 0 | 0 | 111.6 | L801 Q802 Q808 L809 L1085 R1088 H1089 | L801-E805 PolarHBondContact O-N 3.26Å; Q802-E805 PolarHBondContact O-N 2.88Å; E805-Q808 PolarHBondContact O-N 3.14Å; E805-L809 PolarHBondContact O-N 3.34Å; E805-L1085 HydrophobicContact CB-CD1 3.98Å; E805-L1085 WeakPolarHBondContact OE2-CD1 3.42Å; E805-R1088 IonicContact OE1-NH1 3.53Å; E805-R1088 IonicContact OE2-CZ 2.83Å; E805-R1088 IonicContact OE2-NH1 3.57Å; E805-R1088 PolarHBondContact OE2-NH1 3.35Å; E805-R1088 IonicContact OE2-NH2 2.75Å; E805-R1088 PolarHBondContact OE2-NH2 2.99Å; E805-H1089 IonicContact OE2-CD2 3.87Å; E805-H1089 IonicContact OE2-CE1 3.82Å; E805-H1089 IonicContact OE2-NE2 2.88Å; E805-H1089 PolarHBondContact OE2-NE2 2.68Å |
| 806 | M | 93 | Very high | 92.8 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 16% | 0.163 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 174.7 | -79.2 | -60.7 | -53.2 | 0 | 0 | 113 | Q802 I804 R810 L1085 M1086 | Q802-M806 WeakPolarHBondContact O-CB 3.35Å; Q802-M806 WeakPolarHBondContact O-CG 3.45Å; Q802-M806 PolarHBondContact O-N 2.91Å; I804-M806 PolarHBondContact O-N 2.91Å; M806-R810 WeakPolarHBondContact O-CG 3.42Å; M806-R810 PolarHBondContact O-N 2.79Å; M806-R810 VanDerWaalsContact O-N 3.1Å; M806-L1085 HydrophobicContact CG-CD2 4.24Å; M806-L1085 HydrophobicContact SD-CD2 3.42Å; M806-L1085 WeakPolarHBondContact SD-CD2 3.27Å; M806-L1085 HydrophobicContact SD-CG 3.9Å; M806-M1086 HydrophobicContact CE-CE 4.03Å |
| 807 | E | 94.2 | Very high | 92.9 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.9 | -37.3 | 174.3 | -174.3 | 54.5 | -147.3 | 0 | 0 | 112.2 | D803 I804 L809 R810 Q811 R814 | D803-E807 PolarHBondContact O-N 3.19Å; I804-E807 PolarHBondContact O-N 2.78Å; E807-L809 VanDerWaalsContact C-N 3.35Å; E807-L809 PolarHBondContact O-N 2.98Å; E807-R810 PolarHBondContact O-N 2.82Å; E807-R810 VanDerWaalsContact O-N 3.14Å; E807-R810 IonicContact OE2-CZ 3.97Å; E807-R810 IonicContact OE2-NE 3.35Å; E807-R810 PolarHBondContact OE2-NE 3.34Å; E807-R810 IonicContact OE2-NH2 3.07Å; E807-R810 PolarHBondContact OE2-NH2 3.48Å; E807-Q811 HydrophobicContact CG-CG 4.43Å; E807-Q811 WeakPolarHBondContact O-CG 3.22Å; E807-Q811 PolarHBondContact O-N 2.79Å; E807-R814 IonicContact OE1-CZ 2.99Å; E807-R814 IonicContact OE1-NH1 2.87Å; E807-R814 PolarHBondContact OE1-NH1 3.33Å; E807-R814 IonicContact OE1-NH2 3.64Å; E807-R814 PolarHBondContact OE1-NH2 3.47Å; E807-R814 IonicContact OE2-NH2 2.81Å |
| 808 | Q | 94.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 174.3 | -71.7 | -174.4 | -10.3 | 0 | 0 | 111.2 | H720 I804 E805 R810 Q811 Y812 | H720-Q808 VanDerWaalsContact CA-NE2 3.32Å; H720-Q808 HydrophobicContact CB-CG 4.17Å; H720-Q808 PolarHBondContact CE1-O 3.18Å; H720-Q808 PolarHBondContact O-NE2 3.4Å; I804-Q808 HydrophobicContact CG2-CG 4.3Å; I804-Q808 WeakPolarHBondContact O-CG 3.4Å; I804-Q808 PolarHBondContact O-N 3.46Å; E805-Q808 PolarHBondContact O-N 3.14Å; Q808-R810 PolarHBondContact O-N 3.31Å; Q808-Q811 PolarHBondContact O-N 3.37Å; Q808-Y812 PolarHBondContact O-N 2.98Å |
| 809 | L | 94.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.12 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 174.2 | 180 | 61.7 | 0 | 0 | 0 | 112.5 | E805 E807 Q811 Y812 I813 K1081 L1085 | E805-L809 PolarHBondContact O-N 3.34Å; E807-L809 VanDerWaalsContact C-N 3.35Å; E807-L809 PolarHBondContact O-N 2.98Å; L809-Q811 VanDerWaalsContact C-N 3.33Å; L809-Q811 PolarHBondContact O-N 2.83Å; L809-Y812 PolarHBondContact O-N 3.49Å; L809-I813 HydrophobicContact CD1-CD1 3.87Å; L809-I813 HydrophobicContact CD1-CG1 4.01Å; L809-I813 HydrophobicContact CD2-CD1 4.33Å; L809-I813 HydrophobicContact CG-CD1 3.8Å; L809-I813 HydrophobicContact CG-CG1 4.36Å; L809-I813 WeakPolarHBondContact O-CG1 3.45Å; L809-I813 PolarHBondContact O-N 3.4Å; L809-K1081 HydrophobicContact CD1-CB 3.77Å; L809-K1081 HydrophobicContact CD1-CD 4.41Å; L809-K1081 HydrophobicContact CD2-CB 4.35Å; L809-L1085 HydrophobicContact CB-CD2 3.7Å; L809-L1085 HydrophobicContact CD2-CB 4.06Å; L809-L1085 HydrophobicContact CD2-CD2 3.51Å; L809-L1085 HydrophobicContact CD2-CG 4.44Å; L809-L1085 HydrophobicContact CG-CD2 4.24Å |
| 810 | R | 94.5 | Very high | 93 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 175 | -74.8 | -175.7 | -61.5 | -103.7 | 1.5 | 111.7 | M806 E807 Q808 I813 R814 | M806-R810 WeakPolarHBondContact O-CG 3.42Å; M806-R810 PolarHBondContact O-N 2.79Å; M806-R810 VanDerWaalsContact O-N 3.1Å; E807-R810 PolarHBondContact O-N 2.82Å; E807-R810 VanDerWaalsContact O-N 3.14Å; E807-R810 IonicContact OE2-CZ 3.97Å; E807-R810 IonicContact OE2-NE 3.35Å; E807-R810 PolarHBondContact OE2-NE 3.34Å; E807-R810 IonicContact OE2-NH2 3.07Å; E807-R810 PolarHBondContact OE2-NH2 3.48Å; Q808-R810 PolarHBondContact O-N 3.31Å; R810-I813 PolarHBondContact O-N 2.99Å; R810-R814 VanDerWaalsContact O-CG 3.28Å; R810-R814 WeakPolarHBondContact O-CG 3.43Å; R810-R814 PolarHBondContact O-N 3.12Å |
| 811 | Q | 95.1 | Very high | 93 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 175.3 | -68.4 | 173.9 | 10.6 | 0 | 0 | 112.3 | L716 H720 E807 Q808 L809 I813 R814 L815 | L716-Q811 HydrophobicContact CD1-CB 4.19Å; L716-Q811 HydrophobicContact CD2-CB 4.45Å; H720-Q811 PolarHBondContact NE2-OE1 3.47Å; E807-Q811 HydrophobicContact CG-CG 4.43Å; E807-Q811 WeakPolarHBondContact O-CG 3.22Å; E807-Q811 PolarHBondContact O-N 2.79Å; Q808-Q811 PolarHBondContact O-N 3.37Å; L809-Q811 VanDerWaalsContact C-N 3.33Å; L809-Q811 PolarHBondContact O-N 2.83Å; Q811-I813 PolarHBondContact O-N 3.14Å; Q811-R814 PolarHBondContact O-N 2.99Å; Q811-L815 PolarHBondContact O-N 3.2Å |
| 812 | Y | 94.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 56.8 Ų | 56.8 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 176.3 | -176.3 | -73.8 | 0 | 0 | 0 | 111.4 | F713 Q808 L809 L815 Q816 K1081 | F713-Y812 HydrophobicContact CD1-CD2 4.34Å; F713-Y812 AromaticContact CD1-CE2 3.91Å; F713-Y812 HydrophobicContact CD1-CE2 3.91Å; F713-Y812 HydrophobicContact CE1-CD2 4.21Å; F713-Y812 HydrophobicContact CE1-CE1 4.19Å; F713-Y812 AromaticContact CE1-CE2 3.81Å; F713-Y812 HydrophobicContact CE1-CE2 3.81Å; F713-Y812 AromaticContact CE1-CZ 3.8Å; Q808-Y812 PolarHBondContact O-N 2.98Å; L809-Y812 PolarHBondContact O-N 3.49Å; Y812-L815 PolarHBondContact O-N 3.35Å; Y812-Q816 HydrophobicContact CE1-CB 4.38Å; Y812-Q816 WeakPolarHBondContact O-CB 3.38Å; Y812-Q816 PolarHBondContact O-N 3.21Å; Y812-K1081 HydrophobicContact CE1-CD 4.24Å; Y812-K1081 PolarHBondContact OH-NZ 3.28Å; Y812-K1081 VanDerWaalsContact OH-NZ 3.17Å |
| 813 | I | 94.2 | Very high | 93 | Very high | 24 Ų | 24 | 57.1 Ų | 57.1 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 178.6 | -69.3 | 169.2 | 0 | 0 | 0 | 111.1 | L809 R810 Q811 L815 Q816 Q817 | L809-I813 HydrophobicContact CD1-CD1 3.87Å; L809-I813 HydrophobicContact CD1-CG1 4.01Å; L809-I813 HydrophobicContact CD2-CD1 4.33Å; L809-I813 HydrophobicContact CG-CD1 3.8Å; L809-I813 HydrophobicContact CG-CG1 4.36Å; L809-I813 WeakPolarHBondContact O-CG1 3.45Å; L809-I813 PolarHBondContact O-N 3.4Å; R810-I813 PolarHBondContact O-N 2.99Å; Q811-I813 PolarHBondContact O-N 3.14Å; I813-L815 VanDerWaalsContact C-N 3.34Å; I813-L815 PolarHBondContact O-N 2.92Å; I813-Q816 PolarHBondContact O-N 3.42Å; I813-Q817 HydrophobicContact CG2-CG 4.48Å; I813-Q817 VanDerWaalsContact O-CG 3.32Å; I813-Q817 WeakPolarHBondContact O-CG 3.16Å; I813-Q817 PolarHBondContact O-N 3.32Å |
| 814 | R | 94.3 | Very high | 93 | Very high | 127 Ų | 127 | 54.3 Ų | 54.3 | 48% | 0.479 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 173.6 | -69.9 | 172.4 | -160.8 | 130.2 | 0.3 | 111.7 | E807 R810 Q811 Q817 K818 | E807-R814 IonicContact OE1-CZ 2.99Å; E807-R814 IonicContact OE1-NH1 2.87Å; E807-R814 PolarHBondContact OE1-NH1 3.33Å; E807-R814 IonicContact OE1-NH2 3.64Å; E807-R814 PolarHBondContact OE1-NH2 3.47Å; E807-R814 IonicContact OE2-NH2 2.81Å; R810-R814 VanDerWaalsContact O-CG 3.28Å; R810-R814 WeakPolarHBondContact O-CG 3.43Å; R810-R814 PolarHBondContact O-N 3.12Å; Q811-R814 PolarHBondContact O-N 2.99Å; R814-Q817 PolarHBondContact O-N 3.36Å; R814-K818 PolarHBondContact O-N 3.31Å |
| 815 | L | 93.9 | Very high | 93 | Very high | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 177.7 | -176.6 | 59.7 | 0 | 0 | 0 | 111.9 | E712 F713 L716 Q811 Y812 I813 Q817 K818 A819 | E712-L815 HydrophobicContact CB-CD1 4.34Å; E712-L815 HydrophobicContact CB-CD2 4.44Å; F713-L815 HydrophobicContact CD1-CD2 3.73Å; F713-L815 HydrophobicContact CD1-CG 4.31Å; F713-L815 HydrophobicContact CD2-CD2 4.35Å; F713-L815 HydrophobicContact CE1-CB 4.38Å; F713-L815 HydrophobicContact CE1-CD2 3.94Å; F713-L815 HydrophobicContact CE1-CG 4.03Å; F713-L815 HydrophobicContact CE2-CG 4.32Å; F713-L815 HydrophobicContact CG-CD2 3.94Å; F713-L815 HydrophobicContact CZ-CD2 4.35Å; F713-L815 HydrophobicContact CZ-CG 4.04Å; L716-L815 HydrophobicContact CB-CD2 4.12Å; L716-L815 HydrophobicContact CD2-CB 4.17Å; L716-L815 HydrophobicContact CD2-CD2 3.75Å; Q811-L815 PolarHBondContact O-N 3.2Å; Y812-L815 PolarHBondContact O-N 3.35Å; I813-L815 VanDerWaalsContact C-N 3.34Å; I813-L815 PolarHBondContact O-N 2.92Å; L815-Q817 VanDerWaalsContact C-N 3.35Å; L815-Q817 PolarHBondContact O-N 3.03Å; L815-K818 PolarHBondContact O-N 3.14Å; L815-A819 WeakPolarHBondContact O-CB 3.46Å; L815-A819 PolarHBondContact O-N 2.87Å |
| 816 | Q | 92.5 | Very high | 93 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 175.4 | -171.6 | 171.3 | 7.8 | 0 | 0 | 112.4 | F713 Y812 I813 A820 E1077 | F713-Q816 HydrophobicContact CZ-CB 4.15Å; Y812-Q816 HydrophobicContact CE1-CB 4.38Å; Y812-Q816 WeakPolarHBondContact O-CB 3.38Å; Y812-Q816 PolarHBondContact O-N 3.21Å; I813-Q816 PolarHBondContact O-N 3.42Å; Q816-A820 WeakPolarHBondContact O-CB 3.43Å; Q816-A820 PolarHBondContact O-N 2.54Å; Q816-A820 VanDerWaalsContact O-N 3.1Å; Q816-E1077 PolarHBondContact NE2-OE2 3.03Å |
| 817 | Q | 91.5 | Very high | 93 | Very high | 94 Ų | 94 | 54.7 Ų | 54.7 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.7 | -51.8 | 172.9 | -73.1 | 168.9 | -21.6 | 0 | 0 | 111.3 | I813 R814 L815 A819 A820 E821 | I813-Q817 HydrophobicContact CG2-CG 4.48Å; I813-Q817 VanDerWaalsContact O-CG 3.32Å; I813-Q817 WeakPolarHBondContact O-CG 3.16Å; I813-Q817 PolarHBondContact O-N 3.32Å; R814-Q817 PolarHBondContact O-N 3.36Å; L815-Q817 VanDerWaalsContact C-N 3.35Å; L815-Q817 PolarHBondContact O-N 3.03Å; Q817-A819 VanDerWaalsContact C-N 3.34Å; Q817-A819 PolarHBondContact O-N 3.02Å; Q817-A820 WeakPolarHBondContact O-CB 3.36Å; Q817-A820 PolarHBondContact O-N 3.15Å; Q817-A820 VanDerWaalsContact O-N 3.11Å; Q817-E821 WeakPolarHBondContact O-CG 3.43Å; Q817-E821 PolarHBondContact O-N 2.76Å |
| 818 | K | 92.6 | Very high | 92.9 | Very high | 99 Ų | 99 | 55.8 Ų | 55.8 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.6 | -47 | 175.9 | 178.3 | -176.2 | 167.5 | -174.5 | 0 | 112.3 | R814 L815 A820 E821 E822 | R814-K818 PolarHBondContact O-N 3.31Å; L815-K818 PolarHBondContact O-N 3.14Å; K818-A820 VanDerWaalsContact C-N 3.32Å; K818-A820 PolarHBondContact O-N 3.35Å; K818-E821 PolarHBondContact O-N 3.07Å; K818-E822 WeakPolarHBondContact CE-OE1 3.31Å; K818-E822 IonicContact NZ-OE1 3.74Å; K818-E822 PolarHBondContact O-N 3.35Å |
| 819 | A | 92 | Very high | 92.8 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M709 F713 L815 Q817 I823 | M709-A819 HydrophobicContact CB-CB 4.3Å; M709-A819 HydrophobicContact CG-CB 3.9Å; M709-A819 HydrophobicContact SD-CB 3.67Å; F713-A819 HydrophobicContact CE2-CB 4.21Å; L815-A819 WeakPolarHBondContact O-CB 3.46Å; L815-A819 PolarHBondContact O-N 2.87Å; Q817-A819 VanDerWaalsContact C-N 3.34Å; Q817-A819 PolarHBondContact O-N 3.02Å; A819-I823 WeakPolarHBondContact O-CB 3.31Å; A819-I823 WeakPolarHBondContact O-CD1 3.45Å; A819-I823 VanDerWaalsContact O-CG1 3.28Å; A819-I823 WeakPolarHBondContact O-CG1 3.38Å; A819-I823 PolarHBondContact O-N 3.09Å; A819-I823 VanDerWaalsContact O-N 3.16Å |
| 820 | A | 90.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q816 Q817 K818 T824 | Q816-A820 WeakPolarHBondContact O-CB 3.43Å; Q816-A820 PolarHBondContact O-N 2.54Å; Q816-A820 VanDerWaalsContact O-N 3.1Å; Q817-A820 WeakPolarHBondContact O-CB 3.36Å; Q817-A820 PolarHBondContact O-N 3.15Å; Q817-A820 VanDerWaalsContact O-N 3.11Å; K818-A820 VanDerWaalsContact C-N 3.32Å; K818-A820 PolarHBondContact O-N 3.35Å; A820-T824 WeakPolarHBondContact O-CB 3.44Å; A820-T824 PolarHBondContact O-N 3.18Å; A820-T824 PolarHBondContact O-OG1 3.2Å |
| 821 | E | 91.1 | Very high | 92.8 | Very high | 127 Ų | 127 | 56.9 Ų | 56.9 | 59% | 0.593 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 178.6 | -72.1 | 168.6 | -172.3 | 0 | 0 | 112.9 | Q817 K818 T824 S825 | Q817-E821 WeakPolarHBondContact O-CG 3.43Å; Q817-E821 PolarHBondContact O-N 2.76Å; K818-E821 PolarHBondContact O-N 3.07Å; E821-T824 PolarHBondContact O-N 3.41Å; E821-S825 WeakPolarHBondContact O-CB 3.45Å; E821-S825 PolarHBondContact O-N 3.01Å; E821-S825 PolarHBondContact O-OG 2.98Å |
| 822 | E | 92 | Very high | 92.7 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 175.4 | -75.2 | -172.2 | -157.1 | 0 | 0 | 112 | M709 K818 S825 L826 | M709-E822 WeakPolarHBondContact CE-OE2 3.39Å; K818-E822 WeakPolarHBondContact CE-OE1 3.31Å; K818-E822 IonicContact NZ-OE1 3.74Å; K818-E822 PolarHBondContact O-N 3.35Å; E822-S825 PolarHBondContact O-N 3.02Å; E822-L826 WeakPolarHBondContact O-CB 3.15Å; E822-L826 PolarHBondContact O-N 3.42Å |
| 823 | I | 91.3 | Very high | 92.7 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.5 | -68.8 | 169 | 0 | 0 | 0 | 110.9 | Y702 T705 A819 S825 L826 L827 | Y702-I823 HydrophobicContact CE2-CG2 4.14Å; T705-I823 HydrophobicContact CG2-CG1 4.44Å; A819-I823 WeakPolarHBondContact O-CB 3.31Å; A819-I823 WeakPolarHBondContact O-CD1 3.45Å; A819-I823 VanDerWaalsContact O-CG1 3.28Å; A819-I823 WeakPolarHBondContact O-CG1 3.38Å; A819-I823 PolarHBondContact O-N 3.09Å; A819-I823 VanDerWaalsContact O-N 3.16Å; I823-S825 VanDerWaalsContact C-N 3.35Å; I823-S825 PolarHBondContact O-N 3.02Å; I823-L826 PolarHBondContact O-N 3.3Å; I823-L827 HydrophobicContact CG2-CD1 3.91Å; I823-L827 HydrophobicContact CG2-CG 4.36Å; I823-L827 WeakPolarHBondContact O-CG 3.41Å; I823-L827 PolarHBondContact O-N 3.07Å |
| 824 | T | 91.7 | Very high | 92.7 | Very high | 41 Ų | 41 | 56.8 Ų | 56.8 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | A820 E821 L828 M1067 | A820-T824 WeakPolarHBondContact O-CB 3.44Å; A820-T824 PolarHBondContact O-N 3.18Å; A820-T824 PolarHBondContact O-OG1 3.2Å; E821-T824 PolarHBondContact O-N 3.41Å; T824-L828 PolarHBondContact O-N 2.92Å; T824-M1067 HydrophobicContact CG2-CE 3.34Å; T824-M1067 HydrophobicContact CG2-CG 4.25Å |
| 825 | S | 92.4 | Very high | 92.7 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 48% | 0.476 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | E821 E822 I823 R829 | E821-S825 WeakPolarHBondContact O-CB 3.45Å; E821-S825 PolarHBondContact O-N 3.01Å; E821-S825 PolarHBondContact O-OG 2.98Å; E822-S825 PolarHBondContact O-N 3.02Å; I823-S825 VanDerWaalsContact C-N 3.35Å; I823-S825 PolarHBondContact O-N 3.02Å; S825-R829 PolarHBondContact O-N 3.35Å |
| 826 | L | 93 | Very high | 92.8 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -49.1 | 176.8 | -179.1 | 60.4 | 0 | 0 | 0 | 111.5 | Y702 T705 E822 I823 L828 R829 Q830 | Y702-L826 HydrophobicContact CD2-CD2 4.45Å; T705-L826 HydrophobicContact CG2-CD2 4.27Å; E822-L826 WeakPolarHBondContact O-CB 3.15Å; E822-L826 PolarHBondContact O-N 3.42Å; I823-L826 PolarHBondContact O-N 3.3Å; L826-L828 VanDerWaalsContact C-N 3.29Å; L826-L828 PolarHBondContact O-N 2.85Å; L826-R829 WeakPolarHBondContact O-CB 3.3Å; L826-R829 PolarHBondContact O-N 3.39Å; L826-R829 VanDerWaalsContact O-N 3.12Å; L826-Q830 WeakPolarHBondContact O-CG 3.47Å; L826-Q830 PolarHBondContact O-N 2.97Å |
| 827 | L | 92.6 | Very high | 92.9 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 179.3 | -69.3 | 169.9 | 0 | 0 | 0 | 112.3 | Y702 I823 Q830 H831 L1063 | Y702-L827 HydrophobicContact CD2-CD2 4.16Å; Y702-L827 HydrophobicContact CE2-CD2 4.11Å; I823-L827 HydrophobicContact CG2-CD1 3.91Å; I823-L827 HydrophobicContact CG2-CG 4.36Å; I823-L827 WeakPolarHBondContact O-CG 3.41Å; I823-L827 PolarHBondContact O-N 3.07Å; L827-Q830 WeakPolarHBondContact O-CB 3.24Å; L827-Q830 PolarHBondContact O-N 2.7Å; L827-H831 PolarHBondContact O-N 2.94Å; L827-L1063 HydrophobicContact CB-CD1 4.11Å; L827-L1063 HydrophobicContact CD1-CD1 4.4Å |
| 828 | L | 92.3 | Very high | 93 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 40% | 0.403 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.6 | -174.8 | 61.2 | 0 | 0 | 0 | 111.9 | T824 L826 Q830 H831 T832 M1067 | T824-L828 PolarHBondContact O-N 2.92Å; L826-L828 VanDerWaalsContact C-N 3.29Å; L826-L828 PolarHBondContact O-N 2.85Å; L828-Q830 PolarHBondContact O-N 2.79Å; L828-H831 WeakPolarHBondContact O-CB 3.1Å; L828-H831 PolarHBondContact O-N 2.85Å; L828-T832 PolarHBondContact O-N 3.29Å; L828-T832 VanDerWaalsContact O-N 3.13Å; L828-T832 PolarHBondContact O-OG1 3.46Å; L828-M1067 HydrophobicContact CB-CE 4.41Å |
| 829 | R | 93.6 | Very high | 93.1 | Very high | 141 Ų | 141 | 50.7 Ų | 50.7 | 53% | 0.532 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.9 | -169.8 | -171 | -55.2 | 132.2 | 7.9 | 111.8 | S825 L826 H831 T832 E833 | S825-R829 PolarHBondContact O-N 3.35Å; L826-R829 WeakPolarHBondContact O-CB 3.3Å; L826-R829 PolarHBondContact O-N 3.39Å; L826-R829 VanDerWaalsContact O-N 3.12Å; R829-H831 VanDerWaalsContact C-N 3.32Å; R829-H831 PolarHBondContact O-N 2.66Å; R829-T832 PolarHBondContact O-N 3.34Å; R829-E833 PolarHBondContact O-N 3.21Å |
| 830 | Q | 93.5 | Very high | 93.3 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 176.5 | -69.4 | -178.5 | -7.4 | 0 | 0 | 112.1 | L698 L826 L827 L828 L834 | L698-Q830 HydrophobicContact CB-CG 3.94Å; L698-Q830 HydrophobicContact CD1-CB 4Å; L698-Q830 HydrophobicContact CD1-CG 4.13Å; L698-Q830 HydrophobicContact CD2-CG 4.08Å; L698-Q830 HydrophobicContact CG-CG 4.23Å; L698-Q830 PolarHBondContact O-NE2 3.01Å; L826-Q830 WeakPolarHBondContact O-CG 3.47Å; L826-Q830 PolarHBondContact O-N 2.97Å; L827-Q830 WeakPolarHBondContact O-CB 3.24Å; L827-Q830 PolarHBondContact O-N 2.7Å; L828-Q830 PolarHBondContact O-N 2.79Å; Q830-L834 WeakPolarHBondContact O-CB 3.34Å; Q830-L834 PolarHBondContact O-N 3.15Å; Q830-L834 VanDerWaalsContact O-N 3.11Å |
| 831 | H | 94.2 | Very high | 93.5 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -49.3 | 174.3 | -177.4 | 105.4 | 0 | 0 | 0 | 111.4 | L827 L828 R829 L834 E835 R1059 K1060 L1063 | L827-H831 PolarHBondContact O-N 2.94Å; L828-H831 WeakPolarHBondContact O-CB 3.1Å; L828-H831 PolarHBondContact O-N 2.85Å; R829-H831 VanDerWaalsContact C-N 3.32Å; R829-H831 PolarHBondContact O-N 2.66Å; H831-L834 PolarHBondContact O-N 2.99Å; H831-E835 IonicContact CD2-OE2 3.18Å; H831-E835 VanDerWaalsContact O-CB 3.26Å; H831-E835 WeakPolarHBondContact O-CB 3.27Å; H831-E835 PolarHBondContact O-N 3.42Å; H831-R1059 PolarHBondContact CE1-NE 2.98Å; H831-R1059 VanDerWaalsContact CE1-NE 3.34Å; H831-R1059 PolarHBondContact ND1-NE 3.38Å; H831-K1060 PolarHBondContact CE1-N 3.39Å; H831-L1063 HydrophobicContact CB-CD2 3.79Å |
| 832 | T | 94.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 37% | 0.368 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.8 | -35.2 | -178.7 | -62.9 | 0 | 0 | 0 | 0 | 113 | L828 R829 N836 | L828-T832 PolarHBondContact O-N 3.29Å; L828-T832 VanDerWaalsContact O-N 3.13Å; L828-T832 PolarHBondContact O-OG1 3.46Å; R829-T832 PolarHBondContact O-N 3.34Å; T832-N836 WeakPolarHBondContact CG2-ND2 3.5Å; T832-N836 WeakPolarHBondContact O-CB 3.26Å; T832-N836 PolarHBondContact O-N 3.17Å; T832-N836 PolarHBondContact O-ND2 2.77Å |
| 833 | E | 94.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 48 Ų | 48 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 173.1 | -76.2 | -175.3 | -133.4 | 0 | 0 | 111.9 | L694 R697 L698 R829 L837 | L694-E833 HydrophobicContact CD1-CB 4.44Å; L694-E833 HydrophobicContact CD2-CB 4.47Å; R697-E833 IonicContact CZ-OE2 2.82Å; R697-E833 IonicContact NH2-OE2 3.81Å; R697-E833 PolarHBondContact NH2-OE2 3.43Å; L698-E833 HydrophobicContact CD1-CB 4.46Å; R829-E833 PolarHBondContact O-N 3.21Å; E833-L837 PolarHBondContact O-N 3.08Å; E833-L837 VanDerWaalsContact O-N 3.13Å |
| 834 | L | 93.7 | Very high | 93.8 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69 | -44.4 | 177.6 | -174.1 | 62.8 | 0 | 0 | 0 | 112.1 | E691 L694 Q830 H831 N836 L837 E838 | E691-L834 HydrophobicContact CG-CD1 4.36Å; L694-L834 HydrophobicContact CD2-CD1 4.4Å; Q830-L834 WeakPolarHBondContact O-CB 3.34Å; Q830-L834 PolarHBondContact O-N 3.15Å; Q830-L834 VanDerWaalsContact O-N 3.11Å; H831-L834 PolarHBondContact O-N 2.99Å; L834-N836 PolarHBondContact O-N 2.88Å; L834-L837 WeakPolarHBondContact O-CB 3.32Å; L834-L837 PolarHBondContact O-N 3.45Å; L834-L837 VanDerWaalsContact O-N 3.14Å; L834-E838 WeakPolarHBondContact O-CG 3.25Å; L834-E838 PolarHBondContact O-N 3.05Å |
| 835 | E | 94.7 | Very high | 93.8 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -53.9 | -49.7 | 173.2 | 167.7 | -179.8 | -148.2 | 0 | 0 | 112 | H831 L837 E838 I839 I1056 | H831-E835 IonicContact CD2-OE2 3.18Å; H831-E835 VanDerWaalsContact O-CB 3.26Å; H831-E835 WeakPolarHBondContact O-CB 3.27Å; H831-E835 PolarHBondContact O-N 3.42Å; E835-L837 VanDerWaalsContact C-N 3.3Å; E835-L837 PolarHBondContact O-N 3.3Å; E835-E838 PolarHBondContact O-N 2.84Å; E835-I839 HydrophobicContact CG-CD1 3.86Å; E835-I839 WeakPolarHBondContact O-CB 3.39Å; E835-I839 VanDerWaalsContact O-CG1 3.31Å; E835-I839 WeakPolarHBondContact O-CG1 3.47Å; E835-I839 PolarHBondContact O-N 3.44Å; E835-I1056 HydrophobicContact CB-CG2 4.44Å; E835-I1056 HydrophobicContact CG-CD1 4.24Å; E835-I1056 HydrophobicContact CG-CG2 4.01Å |
| 836 | N | 95.1 | Very high | 93.8 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 43% | 0.433 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -33.2 | 177.6 | -83.4 | -79.7 | 0 | 0 | 0 | 112.6 | T832 L834 N840 | T832-N836 WeakPolarHBondContact CG2-ND2 3.5Å; T832-N836 WeakPolarHBondContact O-CB 3.26Å; T832-N836 PolarHBondContact O-N 3.17Å; T832-N836 PolarHBondContact O-ND2 2.77Å; L834-N836 PolarHBondContact O-N 2.88Å; N836-N840 WeakPolarHBondContact O-CB 3.43Å; N836-N840 PolarHBondContact O-N 2.73Å; N836-N840 PolarHBondContact O-ND2 3.43Å |
| 837 | L | 94.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -53.3 | 174 | -178.3 | 63.5 | 0 | 0 | 0 | 110.9 | E690 E691 L694 E833 L834 E835 I839 N840 Q841 | E690-L837 HydrophobicContact CB-CD1 4.29Å; E691-L837 HydrophobicContact CB-CD2 4.18Å; E691-L837 HydrophobicContact CG-CD2 4.46Å; L694-L837 HydrophobicContact CB-CD2 4.14Å; L694-L837 HydrophobicContact CD2-CB 3.99Å; L694-L837 HydrophobicContact CD2-CD2 3.65Å; L694-L837 HydrophobicContact CD2-CG 4.44Å; E833-L837 PolarHBondContact O-N 3.08Å; E833-L837 VanDerWaalsContact O-N 3.13Å; L834-L837 WeakPolarHBondContact O-CB 3.32Å; L834-L837 PolarHBondContact O-N 3.45Å; L834-L837 VanDerWaalsContact O-N 3.14Å; E835-L837 VanDerWaalsContact C-N 3.3Å; E835-L837 PolarHBondContact O-N 3.3Å; L837-I839 VanDerWaalsContact C-N 3.35Å; L837-I839 PolarHBondContact O-N 3.24Å; L837-N840 PolarHBondContact O-N 3.32Å; L837-N840 VanDerWaalsContact O-N 3.14Å; L837-Q841 HydrophobicContact CD1-CG 4.16Å; L837-Q841 HydrophobicContact CG-CG 4.24Å; L837-Q841 WeakPolarHBondContact O-CG 3.35Å; L837-Q841 PolarHBondContact O-N 3.22Å |
| 838 | E | 93.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | -177.4 | -67.3 | 165.8 | 129.1 | 0 | 0 | 112.3 | L834 E835 N840 Q841 L842 L1052 R1059 | L834-E838 WeakPolarHBondContact O-CG 3.25Å; L834-E838 PolarHBondContact O-N 3.05Å; E835-E838 PolarHBondContact O-N 2.84Å; E838-N840 VanDerWaalsContact C-N 3.35Å; E838-N840 PolarHBondContact O-N 2.73Å; E838-Q841 PolarHBondContact O-N 2.82Å; E838-L842 PolarHBondContact O-N 2.99Å; E838-L1052 HydrophobicContact CB-CD1 3.78Å; E838-L1052 HydrophobicContact CB-CD2 4.37Å; E838-L1052 HydrophobicContact CG-CD1 4.5Å; E838-R1059 IonicContact OE1-CZ 3.88Å; E838-R1059 IonicContact OE1-NH1 3.84Å; E838-R1059 PolarHBondContact OE1-NH1 3.11Å; E838-R1059 IonicContact OE2-CZ 2.74Å; E838-R1059 IonicContact OE2-NH1 3.43Å; E838-R1059 PolarHBondContact OE2-NH1 3.27Å; E838-R1059 IonicContact OE2-NH2 2.65Å; E838-R1059 PolarHBondContact OE2-NH2 3Å |
| 839 | I | 94.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 28% | 0.277 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.5 | -43 | 177.1 | -72.3 | 169 | 0 | 0 | 0 | 111 | E835 L837 L842 K843 L1052 I1056 | E835-I839 HydrophobicContact CG-CD1 3.86Å; E835-I839 WeakPolarHBondContact O-CB 3.39Å; E835-I839 VanDerWaalsContact O-CG1 3.31Å; E835-I839 WeakPolarHBondContact O-CG1 3.47Å; E835-I839 PolarHBondContact O-N 3.44Å; L837-I839 VanDerWaalsContact C-N 3.35Å; L837-I839 PolarHBondContact O-N 3.24Å; I839-L842 PolarHBondContact O-N 2.93Å; I839-K843 WeakPolarHBondContact O-CG 3.4Å; I839-K843 PolarHBondContact O-N 2.96Å; I839-L1052 HydrophobicContact CG1-CD2 4.15Å; I839-I1056 HydrophobicContact CD1-CD1 4.09Å; I839-I1056 HydrophobicContact CG1-CD1 3.97Å |
| 840 | N | 94.9 | Very high | 93.6 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -76 | -30.1 | 179.4 | -70.1 | -44.2 | 0 | 0 | 0 | 112.7 | N836 L837 E838 K843 R844 | N836-N840 WeakPolarHBondContact O-CB 3.43Å; N836-N840 PolarHBondContact O-N 2.73Å; N836-N840 PolarHBondContact O-ND2 3.43Å; L837-N840 PolarHBondContact O-N 3.32Å; L837-N840 VanDerWaalsContact O-N 3.14Å; E838-N840 VanDerWaalsContact C-N 3.35Å; E838-N840 PolarHBondContact O-N 2.73Å; N840-K843 PolarHBondContact OD1-NZ 3.06Å; N840-R844 WeakPolarHBondContact O-CG 3.5Å; N840-R844 PolarHBondContact O-N 2.97Å; N840-R844 VanDerWaalsContact O-N 3.16Å |
| 841 | Q | 94.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 170 | -74.1 | -177.3 | 0.3 | 0 | 0 | 111.8 | N687 L837 E838 R844 I845 | N687-Q841 HydrophobicContact CB-CG 3.99Å; N687-Q841 PolarHBondContact O-NE2 3Å; L837-Q841 HydrophobicContact CD1-CG 4.16Å; L837-Q841 HydrophobicContact CG-CG 4.24Å; L837-Q841 WeakPolarHBondContact O-CG 3.35Å; L837-Q841 PolarHBondContact O-N 3.22Å; E838-Q841 PolarHBondContact O-N 2.82Å; Q841-R844 PolarHBondContact O-N 2.99Å; Q841-I845 PolarHBondContact O-N 3.44Å |
| 842 | L | 93.9 | Very high | 93.4 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 176.9 | 179.8 | 60.8 | 0 | 0 | 0 | 111.4 | E838 I839 R844 I845 Q846 Q1048 R1049 L1052 | E838-L842 PolarHBondContact O-N 2.99Å; I839-L842 PolarHBondContact O-N 2.93Å; L842-R844 PolarHBondContact O-N 3.25Å; L842-I845 PolarHBondContact O-N 3.16Å; L842-Q846 HydrophobicContact CD1-CG 4.14Å; L842-Q846 HydrophobicContact CG-CG 4.33Å; L842-Q846 WeakPolarHBondContact O-CG 3.49Å; L842-Q846 PolarHBondContact O-N 3.36Å; L842-Q1048 HydrophobicContact CD1-CB 4.01Å; L842-R1049 HydrophobicContact CD2-CB 4.28Å; L842-L1052 HydrophobicContact CB-CD2 3.98Å; L842-L1052 HydrophobicContact CD2-CB 4.24Å; L842-L1052 HydrophobicContact CD2-CD2 3.68Å; L842-L1052 HydrophobicContact CG-CD2 4.47Å |
| 843 | K | 94.3 | Very high | 93.1 | Very high | 61 Ų | 61 | 44 Ų | 44 | 27% | 0.265 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -52.7 | -53.8 | 174.8 | -67.4 | 170.9 | -161 | 173.5 | 0 | 111.8 | Y531 I839 N840 I845 Q846 D847 | Y531-K843 WeakPolarHBondContact OH-CE 3.46Å; Y531-K843 PolarHBondContact OH-NZ 2.7Å; I839-K843 WeakPolarHBondContact O-CG 3.4Å; I839-K843 PolarHBondContact O-N 2.96Å; N840-K843 PolarHBondContact OD1-NZ 3.06Å; K843-I845 PolarHBondContact O-N 3.49Å; K843-I845 VanDerWaalsContact O-N 3.09Å; K843-Q846 CarbonylContact O-C 3.52Å; K843-Q846 WeakPolarHBondContact O-CA 3.41Å; K843-Q846 WeakPolarHBondContact O-CB 3.48Å; K843-Q846 PolarHBondContact O-N 3.18Å; K843-D847 PolarHBondContact O-N 3.04Å; K843-D847 VanDerWaalsContact O-OD2 3.12Å |
| 844 | R | 93.2 | Very high | 93 | Very high | 90 Ų | 90 | 46 Ų | 46 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57 | -31.8 | -178 | -68 | -176.5 | -51.8 | -152 | 11.9 | 112.7 | N687 E690 N840 Q841 L842 L848 | N687-R844 PolarHBondContact OD1-NH2 3.35Å; E690-R844 IonicContact OE1-NH1 3.92Å; E690-R844 IonicContact OE1-NH2 3.67Å; E690-R844 IonicContact OE2-CZ 3Å; E690-R844 IonicContact OE2-NH1 2.68Å; E690-R844 PolarHBondContact OE2-NH1 3.18Å; E690-R844 IonicContact OE2-NH2 2.62Å; E690-R844 PolarHBondContact OE2-NH2 3.42Å; N840-R844 WeakPolarHBondContact O-CG 3.5Å; N840-R844 PolarHBondContact O-N 2.97Å; N840-R844 VanDerWaalsContact O-N 3.16Å; Q841-R844 PolarHBondContact O-N 2.99Å; L842-R844 PolarHBondContact O-N 3.25Å; R844-L848 VanDerWaalsContact O-CB 3.23Å; R844-L848 WeakPolarHBondContact O-CB 3.32Å; R844-L848 PolarHBondContact O-N 3.09Å |
| 845 | I | 92.3 | Very high | 92.7 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -75.7 | -40.8 | 173.3 | -68.5 | 170.7 | 0 | 0 | 0 | 111.5 | L680 V683 E684 N687 Q841 L842 K843 R849 | L680-I845 HydrophobicContact CD1-CG2 4.08Å; V683-I845 HydrophobicContact CG1-CG1 4.19Å; E684-I845 HydrophobicContact CG-CD1 4.31Å; N687-I845 WeakPolarHBondContact ND2-CD1 3.37Å; Q841-I845 PolarHBondContact O-N 3.44Å; L842-I845 PolarHBondContact O-N 3.16Å; K843-I845 PolarHBondContact O-N 3.49Å; K843-I845 VanDerWaalsContact O-N 3.09Å; I845-R849 WeakPolarHBondContact O-CB 3.46Å; I845-R849 VanDerWaalsContact O-CG 3.24Å; I845-R849 WeakPolarHBondContact O-CG 3.01Å; I845-R849 PolarHBondContact O-N 3.37Å |
| 846 | Q | 92.1 | Very high | 92.3 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -48.1 | 178.3 | -69.8 | -179.5 | -17.5 | 0 | 0 | 112.2 | L842 K843 L848 R849 I850 H1045 | L842-Q846 HydrophobicContact CD1-CG 4.14Å; L842-Q846 HydrophobicContact CG-CG 4.33Å; L842-Q846 WeakPolarHBondContact O-CG 3.49Å; L842-Q846 PolarHBondContact O-N 3.36Å; K843-Q846 CarbonylContact O-C 3.52Å; K843-Q846 WeakPolarHBondContact O-CA 3.41Å; K843-Q846 WeakPolarHBondContact O-CB 3.48Å; K843-Q846 PolarHBondContact O-N 3.18Å; Q846-L848 VanDerWaalsContact C-N 3.33Å; Q846-L848 PolarHBondContact O-N 2.87Å; Q846-R849 PolarHBondContact O-N 2.86Å; Q846-R849 VanDerWaalsContact O-N 3.14Å; Q846-I850 WeakPolarHBondContact O-CG1 3.44Å; Q846-I850 PolarHBondContact O-N 3.34Å; Q846-H1045 VanDerWaalsContact CA-CE1 3.46Å; Q846-H1045 WeakPolarHBondContact CA-CE1 2.8Å; Q846-H1045 HydrophobicContact CG-CB 4.28Å; Q846-H1045 PolarHBondContact NE2-O 2.94Å; Q846-H1045 PolarHBondContact O-CE1 3.05Å |
| 847 | D | 93 | Very high | 91.9 | Very high | 84 Ų | 84 | 41.6 Ų | 41.6 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.2 | -45.7 | 176.4 | -56.8 | -33.6 | 0 | 0 | 0 | 110.7 | K843 R849 I850 N851 | K843-D847 PolarHBondContact O-N 3.04Å; K843-D847 VanDerWaalsContact O-OD2 3.12Å; D847-R849 PolarHBondContact O-N 3.37Å; D847-I850 PolarHBondContact O-N 2.91Å; D847-N851 VanDerWaalsContact O-CG 3.26Å; D847-N851 PolarHBondContact O-N 3.46Å; D847-N851 PolarHBondContact O-ND2 2.85Å |
| 848 | L | 92.6 | Very high | 91.7 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.4 | 178 | 61 | 0 | 0 | 0 | 111.8 | L680 V683 R844 Q846 N851 Q852 | L680-L848 HydrophobicContact CB-CD2 4.36Å; L680-L848 HydrophobicContact CD1-CD2 4.26Å; V683-L848 HydrophobicContact CB-CD2 4.34Å; V683-L848 HydrophobicContact CG2-CD2 3.99Å; R844-L848 VanDerWaalsContact O-CB 3.23Å; R844-L848 WeakPolarHBondContact O-CB 3.32Å; R844-L848 PolarHBondContact O-N 3.09Å; Q846-L848 VanDerWaalsContact C-N 3.33Å; Q846-L848 PolarHBondContact O-N 2.87Å; L848-N851 PolarHBondContact O-N 3.25Å; L848-Q852 HydrophobicContact CD1-CG 4.15Å; L848-Q852 HydrophobicContact CG-CG 4.4Å; L848-Q852 WeakPolarHBondContact O-CB 3.34Å; L848-Q852 WeakPolarHBondContact O-CG 3.35Å; L848-Q852 PolarHBondContact O-N 3.39Å |
| 849 | R | 90.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 47 Ų | 47 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -34.3 | 178.6 | -76 | 170.8 | 178.5 | -162.9 | -2 | 113 | I845 Q846 D847 L853 | I845-R849 WeakPolarHBondContact O-CB 3.46Å; I845-R849 VanDerWaalsContact O-CG 3.24Å; I845-R849 WeakPolarHBondContact O-CG 3.01Å; I845-R849 PolarHBondContact O-N 3.37Å; Q846-R849 PolarHBondContact O-N 2.86Å; Q846-R849 VanDerWaalsContact O-N 3.14Å; D847-R849 PolarHBondContact O-N 3.37Å; R849-L853 WeakPolarHBondContact O-CB 3.33Å; R849-L853 PolarHBondContact O-N 2.79Å |
| 850 | I | 91 | Very high | 90.5 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 30% | 0.297 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.2 | -51.3 | 173.9 | -69.8 | 161.4 | 0 | 0 | 0 | 110 | Q846 D847 Q852 L853 Q854 M1041 | Q846-I850 WeakPolarHBondContact O-CG1 3.44Å; Q846-I850 PolarHBondContact O-N 3.34Å; D847-I850 PolarHBondContact O-N 2.91Å; I850-Q852 VanDerWaalsContact C-N 3.32Å; I850-Q852 PolarHBondContact O-N 3.24Å; I850-L853 WeakPolarHBondContact O-CB 3.46Å; I850-L853 PolarHBondContact O-N 3.45Å; I850-L853 VanDerWaalsContact O-N 3.08Å; I850-Q854 WeakPolarHBondContact O-CG 3.4Å; I850-Q854 PolarHBondContact O-N 2.99Å; I850-M1041 HydrophobicContact CG1-CE 3.8Å; I850-M1041 HydrophobicContact CG1-SD 4.12Å |
| 851 | N | 91.9 | Very high | 90 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 51% | 0.508 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 178.6 | -63.4 | -22.7 | 0 | 0 | 0 | 112 | D847 L848 L853 Q854 S855 | D847-N851 VanDerWaalsContact O-CG 3.26Å; D847-N851 PolarHBondContact O-N 3.46Å; D847-N851 PolarHBondContact O-ND2 2.85Å; L848-N851 PolarHBondContact O-N 3.25Å; N851-L853 VanDerWaalsContact C-N 3.34Å; N851-L853 PolarHBondContact O-N 3.47Å; N851-Q854 PolarHBondContact O-N 3.39Å; N851-S855 PolarHBondContact O-N 2.93Å |
| 852 | Q | 90.6 | Very high | 89.5 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.2 | -34.6 | 174.9 | -75.1 | -179.9 | 0.2 | 0 | 0 | 112.9 | H676 L848 I850 Q856 | H676-Q852 HydrophobicContact CB-CB 4.5Å; H676-Q852 HydrophobicContact CB-CG 3.98Å; H676-Q852 PolarHBondContact CE1-O 3.43Å; H676-Q852 PolarHBondContact O-NE2 2.93Å; L848-Q852 HydrophobicContact CD1-CG 4.15Å; L848-Q852 HydrophobicContact CG-CG 4.4Å; L848-Q852 WeakPolarHBondContact O-CB 3.34Å; L848-Q852 WeakPolarHBondContact O-CG 3.35Å; L848-Q852 PolarHBondContact O-N 3.39Å; I850-Q852 VanDerWaalsContact C-N 3.32Å; I850-Q852 PolarHBondContact O-N 3.24Å; Q852-Q856 WeakPolarHBondContact O-CB 3.05Å; Q852-Q856 PolarHBondContact O-N 2.95Å |
| 853 | L | 89.1 | Confident | 88.8 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.9 | -43.8 | 176.1 | -177.4 | 60.1 | 0 | 0 | 0 | 111.5 | F621 R849 I850 N851 Q856 H857 Q1037 R1038 M1041 | F621-L853 HydrophobicContact CE1-CD1 3.85Å; F621-L853 HydrophobicContact CZ-CD1 3.8Å; F621-L853 HydrophobicContact CZ-CD2 4.33Å; R849-L853 WeakPolarHBondContact O-CB 3.33Å; R849-L853 PolarHBondContact O-N 2.79Å; I850-L853 WeakPolarHBondContact O-CB 3.46Å; I850-L853 PolarHBondContact O-N 3.45Å; I850-L853 VanDerWaalsContact O-N 3.08Å; N851-L853 VanDerWaalsContact C-N 3.34Å; N851-L853 PolarHBondContact O-N 3.47Å; L853-Q856 PolarHBondContact O-N 2.8Å; L853-H857 WeakPolarHBondContact CD1-NE2 3.37Å; L853-H857 PolarHBondContact O-CD2 2.96Å; L853-H857 PolarHBondContact O-N 3.38Å; L853-Q1037 HydrophobicContact CD1-CB 4.2Å; L853-Q1037 VanDerWaalsContact CD1-OE1 3.27Å; L853-R1038 HydrophobicContact CD2-CB 4.36Å; L853-R1038 HydrophobicContact CD2-CG 4.4Å; L853-M1041 HydrophobicContact CD2-CB 4.06Å; L853-M1041 HydrophobicContact CD2-CE 3.71Å; L853-M1041 HydrophobicContact CD2-CG 4.14Å |
| 854 | Q | 91.1 | Very high | 88 | Confident | 99 Ų | 99 | 46.8 Ų | 46.8 | 46% | 0.463 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 176.7 | -72.1 | 168.1 | -49.2 | 0 | 0 | 111.4 | I850 N851 Q856 H857 E858 | I850-Q854 WeakPolarHBondContact O-CG 3.4Å; I850-Q854 PolarHBondContact O-N 2.99Å; N851-Q854 PolarHBondContact O-N 3.39Å; Q854-Q856 PolarHBondContact O-N 3.2Å; Q854-H857 PolarHBondContact O-N 2.9Å; Q854-E858 WeakPolarHBondContact O-CG 3.49Å; Q854-E858 PolarHBondContact O-N 3.02Å |
| 855 | S | 88 | Confident | 87.5 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -31.8 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 113 | N851 A859 | N851-S855 PolarHBondContact O-N 2.93Å; S855-A859 WeakPolarHBondContact O-CB 3.42Å; S855-A859 PolarHBondContact O-N 3.22Å; S855-A859 VanDerWaalsContact O-N 3.17Å |
| 856 | Q | 85.4 | Confident | 86.8 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.1 | -41.1 | 170.4 | -179.9 | 174.5 | -26.8 | 0 | 0 | 112.3 | Q852 L853 Q854 A859 E860 | Q852-Q856 WeakPolarHBondContact O-CB 3.05Å; Q852-Q856 PolarHBondContact O-N 2.95Å; L853-Q856 PolarHBondContact O-N 2.8Å; Q854-Q856 PolarHBondContact O-N 3.2Å; Q856-A859 PolarHBondContact O-N 3.26Å; Q856-E860 HydrophobicContact CG-CG 4.26Å; Q856-E860 PolarHBondContact NE2-OE1 3.41Å; Q856-E860 WeakPolarHBondContact O-CB 3.45Å; Q856-E860 WeakPolarHBondContact O-CG 3.43Å; Q856-E860 PolarHBondContact O-N 2.77Å |
| 857 | H | 88.4 | Confident | 86 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 7% | 0.069 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 179.5 | -72.1 | 178.8 | 0 | 0 | 0 | 112.1 | L853 Q854 E860 M861 Q1034 Q1037 | L853-H857 WeakPolarHBondContact CD1-NE2 3.37Å; L853-H857 PolarHBondContact O-CD2 2.96Å; L853-H857 PolarHBondContact O-N 3.38Å; Q854-H857 PolarHBondContact O-N 2.9Å; H857-E860 PolarHBondContact O-N 2.99Å; H857-M861 WeakPolarHBondContact O-CG 3.44Å; H857-M861 PolarHBondContact O-N 3.38Å; H857-Q1034 VanDerWaalsContact CA-NE2 3.32Å; H857-Q1034 HydrophobicContact CB-CG 4.34Å; H857-Q1034 PolarHBondContact CE1-O 3.27Å; H857-Q1034 VanDerWaalsContact CE1-O 3.23Å; H857-Q1034 PolarHBondContact O-NE2 3.5Å; H857-Q1037 PolarHBondContact NE2-OE1 3.13Å |
| 858 | E | 89.3 | Confident | 85.4 | Confident | 126 Ų | 126 | 46.5 Ų | 46.5 | 59% | 0.589 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -59.5 | -51.1 | 171.6 | -69 | 160.1 | -168.4 | 0 | 0 | 111.5 | Q854 E860 M861 E862 | Q854-E858 WeakPolarHBondContact O-CG 3.49Å; Q854-E858 PolarHBondContact O-N 3.02Å; E858-E860 VanDerWaalsContact C-N 3.32Å; E858-E860 PolarHBondContact O-N 3.11Å; E858-M861 PolarHBondContact O-N 2.76Å; E858-E862 PolarHBondContact O-N 3.29Å |
| 859 | A | 82.8 | Confident | 85.1 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.6 | -31.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L669 L672 S855 Q856 N863 | L669-A859 HydrophobicContact CD2-CB 3.83Å; L672-A859 HydrophobicContact CD2-CB 3.92Å; S855-A859 WeakPolarHBondContact O-CB 3.42Å; S855-A859 PolarHBondContact O-N 3.22Å; S855-A859 VanDerWaalsContact O-N 3.17Å; Q856-A859 PolarHBondContact O-N 3.26Å; A859-N863 VanDerWaalsContact O-CB 3.25Å; A859-N863 WeakPolarHBondContact O-CB 3.49Å; A859-N863 PolarHBondContact O-N 3.49Å |
| 860 | E | 81.7 | Confident | 84.6 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.5 | -40.3 | 172.7 | -76.1 | 175.9 | 175.1 | 0 | 0 | 112 | M629 L669 Q856 H857 E858 N863 L864 L1030 Q1034 | M629-E860 HydrophobicContact CE-CG 4.3Å; M629-E860 WeakPolarHBondContact CE-OE2 3.45Å; L669-E860 HydrophobicContact CD2-CG 4.45Å; Q856-E860 HydrophobicContact CG-CG 4.26Å; Q856-E860 PolarHBondContact NE2-OE1 3.41Å; Q856-E860 WeakPolarHBondContact O-CB 3.45Å; Q856-E860 WeakPolarHBondContact O-CG 3.43Å; Q856-E860 PolarHBondContact O-N 2.77Å; H857-E860 PolarHBondContact O-N 2.99Å; E858-E860 VanDerWaalsContact C-N 3.32Å; E858-E860 PolarHBondContact O-N 3.11Å; E860-N863 PolarHBondContact O-N 3.47Å; E860-L864 PolarHBondContact O-N 2.8Å; E860-L864 VanDerWaalsContact O-N 3.07Å; E860-L1030 HydrophobicContact CB-CD1 4.17Å; E860-L1030 HydrophobicContact CB-CD2 4.38Å; E860-Q1034 PolarHBondContact OE2-NE2 3.12Å |
| 861 | M | 84 | Confident | 83.9 | Confident | 64 Ų | 64 | 54 Ų | 54 | 32% | 0.315 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.8 | -46.3 | 176.9 | -79.1 | -69.7 | 178.5 | 0 | 0 | 112.3 | H857 E858 N863 L864 H865 L1030 | H857-M861 WeakPolarHBondContact O-CG 3.44Å; H857-M861 PolarHBondContact O-N 3.38Å; E858-M861 PolarHBondContact O-N 2.76Å; M861-N863 VanDerWaalsContact C-N 3.31Å; M861-N863 PolarHBondContact O-N 3.42Å; M861-L864 WeakPolarHBondContact O-CB 3.4Å; M861-L864 PolarHBondContact O-N 3.32Å; M861-L864 VanDerWaalsContact O-N 3.16Å; M861-H865 PolarHBondContact O-N 2.98Å; M861-L1030 HydrophobicContact CE-CB 4.4Å; M861-L1030 HydrophobicContact CE-CD2 3.96Å; M861-L1030 HydrophobicContact CE-CG 3.89Å; M861-L1030 HydrophobicContact CG-CD2 4.08Å; M861-L1030 HydrophobicContact SD-CD2 3.57Å; M861-L1030 VanDerWaalsContact SD-CD2 3.57Å; M861-L1030 HydrophobicContact SD-CG 4.19Å |
| 862 | E | 83.8 | Confident | 83.7 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 176.2 | 173.4 | 55.6 | -163.4 | 0 | 0 | 111.3 | E858 L864 H865 Q866 | E858-E862 PolarHBondContact O-N 3.29Å; E862-L864 VanDerWaalsContact C-N 3.34Å; E862-L864 PolarHBondContact O-N 2.9Å; E862-H865 PolarHBondContact O-N 3.36Å; E862-Q866 HydrophobicContact CG-CG 4.42Å; E862-Q866 WeakPolarHBondContact O-CB 3.48Å; E862-Q866 WeakPolarHBondContact O-CG 3.33Å; E862-Q866 PolarHBondContact O-N 3.5Å; E862-Q866 WeakPolarHBondContact OE1-CG 3.34Å; E862-Q866 PolarHBondContact OE1-NE2 3.42Å |
| 863 | N | 78.6 | Confident | 83.6 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 174.4 | -172.7 | -3 | 0 | 0 | 0 | 111.8 | Q665 A859 E860 M861 Q866 Y867 | Q665-N863 PolarHBondContact NE2-OD1 3.12Å; Q665-N863 PolarHBondContact OE1-OD1 2.92Å; A859-N863 VanDerWaalsContact O-CB 3.25Å; A859-N863 WeakPolarHBondContact O-CB 3.49Å; A859-N863 PolarHBondContact O-N 3.49Å; E860-N863 PolarHBondContact O-N 3.47Å; M861-N863 VanDerWaalsContact C-N 3.31Å; M861-N863 PolarHBondContact O-N 3.42Å; N863-Q866 PolarHBondContact O-N 2.75Å; N863-Y867 WeakPolarHBondContact O-CB 3.32Å; N863-Y867 PolarHBondContact O-N 3.35Å |
| 864 | L | 78.2 | Confident | 83.3 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.2 | -171.5 | 69.6 | 0 | 0 | 0 | 112.5 | E860 M861 E862 Y867 F868 V1027 L1030 | E860-L864 PolarHBondContact O-N 2.8Å; E860-L864 VanDerWaalsContact O-N 3.07Å; M861-L864 WeakPolarHBondContact O-CB 3.4Å; M861-L864 PolarHBondContact O-N 3.32Å; M861-L864 VanDerWaalsContact O-N 3.16Å; E862-L864 VanDerWaalsContact C-N 3.34Å; E862-L864 PolarHBondContact O-N 2.9Å; L864-Y867 WeakPolarHBondContact O-CB 3.49Å; L864-Y867 PolarHBondContact O-N 3.33Å; L864-F868 HydrophobicContact CD1-CD2 4.07Å; L864-F868 HydrophobicContact CD1-CE2 3.57Å; L864-F868 HydrophobicContact CD1-CZ 4.42Å; L864-F868 HydrophobicContact CD2-CE2 4.24Å; L864-F868 HydrophobicContact CG-CD2 3.97Å; L864-F868 HydrophobicContact CG-CE2 3.78Å; L864-F868 WeakPolarHBondContact O-CD2 3.19Å; L864-F868 PolarHBondContact O-N 3.39Å; L864-V1027 HydrophobicContact CD2-CG2 4.01Å; L864-L1030 HydrophobicContact CB-CD2 3.94Å; L864-L1030 HydrophobicContact CD2-CB 3.99Å; L864-L1030 HydrophobicContact CD2-CD2 3.63Å; L864-L1030 HydrophobicContact CD2-CG 4.46Å; L864-L1030 HydrophobicContact CG-CD2 4.36Å |
| 865 | H | 83.8 | Confident | 83.1 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.3 | -50.9 | 174.4 | 179.4 | 81.8 | 0 | 0 | 0 | 111 | M861 E862 Y867 F868 K869 | M861-H865 PolarHBondContact O-N 2.98Å; E862-H865 PolarHBondContact O-N 3.36Å; H865-Y867 PolarHBondContact O-N 3.1Å; H865-F868 PolarHBondContact O-N 2.99Å; H865-K869 VanDerWaalsContact O-CB 3.29Å; H865-K869 WeakPolarHBondContact O-CB 3.38Å; H865-K869 PolarHBondContact O-N 3.23Å |
| 866 | Q | 77.7 | Confident | 83.2 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -26 | 176.4 | -67.3 | -72.2 | -7.6 | 0 | 0 | 113 | E862 N863 R870 | E862-Q866 HydrophobicContact CG-CG 4.42Å; E862-Q866 WeakPolarHBondContact O-CB 3.48Å; E862-Q866 WeakPolarHBondContact O-CG 3.33Å; E862-Q866 PolarHBondContact O-N 3.5Å; E862-Q866 WeakPolarHBondContact OE1-CG 3.34Å; E862-Q866 PolarHBondContact OE1-NE2 3.42Å; N863-Q866 PolarHBondContact O-N 2.75Å; Q866-R870 VanDerWaalsContact O-CG 3.31Å; Q866-R870 WeakPolarHBondContact O-CG 3.47Å; Q866-R870 PolarHBondContact O-NE 3.03Å; Q866-R870 PolarHBondContact O-NH1 3.35Å; Q866-R870 VanDerWaalsContact O-NH1 3.16Å |
| 867 | Y | 74.5 | Confident | 83.4 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.4 | -55.8 | 173.9 | 177.7 | -101.6 | 0 | 0 | 0 | 111.7 | L648 N863 L864 H865 K869 R870 I871 | L648-Y867 WeakPolarHBondContact CD2-OH 3.44Å; N863-Y867 WeakPolarHBondContact O-CB 3.32Å; N863-Y867 PolarHBondContact O-N 3.35Å; L864-Y867 WeakPolarHBondContact O-CB 3.49Å; L864-Y867 PolarHBondContact O-N 3.33Å; H865-Y867 PolarHBondContact O-N 3.1Å; Y867-K869 VanDerWaalsContact C-N 3.32Å; Y867-K869 PolarHBondContact O-N 3.19Å; Y867-R870 PolarHBondContact O-N 2.9Å; Y867-R870 VanDerWaalsContact O-N 3.1Å; Y867-I871 HydrophobicContact CD1-CD1 4.13Å; Y867-I871 HydrophobicContact CE1-CD1 3.43Å; Y867-I871 VanDerWaalsContact CE1-CD1 3.43Å; Y867-I871 HydrophobicContact CE1-CG1 4.44Å; Y867-I871 PolarHBondContact O-N 3.11Å |
| 868 | F | 81 | Confident | 83.3 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 6% | 0.057 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 179.9 | -76 | -64.1 | 0 | 0 | 0 | 112.5 | L864 H865 R870 I871 E872 F1019 S1022 R1023 | L864-F868 HydrophobicContact CD1-CD2 4.07Å; L864-F868 HydrophobicContact CD1-CE2 3.57Å; L864-F868 HydrophobicContact CD1-CZ 4.42Å; L864-F868 HydrophobicContact CD2-CE2 4.24Å; L864-F868 HydrophobicContact CG-CD2 3.97Å; L864-F868 HydrophobicContact CG-CE2 3.78Å; L864-F868 WeakPolarHBondContact O-CD2 3.19Å; L864-F868 PolarHBondContact O-N 3.39Å; H865-F868 PolarHBondContact O-N 2.99Å; F868-R870 PolarHBondContact O-N 3.07Å; F868-I871 HydrophobicContact CD1-CD1 4.23Å; F868-I871 PolarHBondContact O-N 3.26Å; F868-E872 WeakPolarHBondContact O-CB 3.29Å; F868-E872 PolarHBondContact O-N 3.33Å; F868-F1019 HydrophobicContact CB-CE2 4.37Å; F868-F1019 HydrophobicContact CB-CZ 4.39Å; F868-F1019 AromaticContact CD1-CE2 3.98Å; F868-F1019 HydrophobicContact CD1-CE2 3.98Å; F868-S1022 WeakPolarHBondContact CZ-O 3.44Å; F868-R1023 HydrophobicContact CB-CG 4.12Å; F868-R1023 HydrophobicContact CD1-CB 4.13Å; F868-R1023 HydrophobicContact CD1-CG 4.21Å; F868-R1023 HydrophobicContact CD2-CG 3.92Å; F868-R1023 HydrophobicContact CE1-CB 4.28Å; F868-R1023 HydrophobicContact CE2-CG 4.37Å; F868-R1023 HydrophobicContact CG-CB 4.27Å; F868-R1023 HydrophobicContact CG-CG 3.83Å |
| 869 | K | 86.3 | Confident | 83.4 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.2 | -30 | 174.3 | -168.5 | 170.9 | -168.2 | 163.9 | 0 | 113.5 | H865 Y867 V873 | H865-K869 VanDerWaalsContact O-CB 3.29Å; H865-K869 WeakPolarHBondContact O-CB 3.38Å; H865-K869 PolarHBondContact O-N 3.23Å; Y867-K869 VanDerWaalsContact C-N 3.32Å; Y867-K869 PolarHBondContact O-N 3.19Å; K869-V873 WeakPolarHBondContact O-CG2 3.24Å; K869-V873 PolarHBondContact O-N 2.81Å |
| 870 | R | 79.1 | Confident | 83.8 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -80.6 | -32.4 | 174.8 | -69.1 | -179.6 | -53 | -115.2 | 11.6 | 113 | Q866 Y867 F868 G874 | Q866-R870 VanDerWaalsContact O-CG 3.31Å; Q866-R870 WeakPolarHBondContact O-CG 3.47Å; Q866-R870 PolarHBondContact O-NE 3.03Å; Q866-R870 PolarHBondContact O-NH1 3.35Å; Q866-R870 VanDerWaalsContact O-NH1 3.16Å; Y867-R870 PolarHBondContact O-N 2.9Å; Y867-R870 VanDerWaalsContact O-N 3.1Å; F868-R870 PolarHBondContact O-N 3.07Å; R870-G874 PolarHBondContact O-N 3.38Å; R870-G874 VanDerWaalsContact O-N 3.09Å |
| 871 | I | 77.9 | Confident | 84.1 | Confident | 55 Ų | 55 | 65 Ų | 65 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 170.8 | -65.5 | 174.2 | 0 | 0 | 0 | 109.7 | Y867 F868 V873 G874 L875 F1019 | Y867-I871 HydrophobicContact CD1-CD1 4.13Å; Y867-I871 HydrophobicContact CE1-CD1 3.43Å; Y867-I871 VanDerWaalsContact CE1-CD1 3.43Å; Y867-I871 HydrophobicContact CE1-CG1 4.44Å; Y867-I871 PolarHBondContact O-N 3.11Å; F868-I871 HydrophobicContact CD1-CD1 4.23Å; F868-I871 PolarHBondContact O-N 3.26Å; I871-V873 PolarHBondContact O-N 3.39Å; I871-G874 CarbonylContact O-C 3.48Å; I871-G874 WeakPolarHBondContact O-CA 3.37Å; I871-G874 PolarHBondContact O-N 2.97Å; I871-L875 WeakPolarHBondContact O-CB 3.46Å; I871-L875 PolarHBondContact O-N 3.48Å; I871-F1019 HydrophobicContact CB-CD2 4.34Å; I871-F1019 HydrophobicContact CB-CE2 3.86Å; I871-F1019 HydrophobicContact CG2-CD2 3.6Å; I871-F1019 HydrophobicContact CG2-CE2 3.64Å |
| 872 | E | 86.6 | Confident | 84.2 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.4 | -52.7 | 179 | -164.4 | 161.1 | -136.2 | 0 | 0 | 111.8 | F868 G874 L875 Q876 F1019 R1023 | F868-E872 WeakPolarHBondContact O-CB 3.29Å; F868-E872 PolarHBondContact O-N 3.33Å; E872-G874 VanDerWaalsContact C-N 3.33Å; E872-G874 PolarHBondContact O-N 3.12Å; E872-L875 PolarHBondContact O-N 2.78Å; E872-Q876 WeakPolarHBondContact O-CB 3.44Å; E872-Q876 VanDerWaalsContact O-CG 3.24Å; E872-Q876 WeakPolarHBondContact O-CG 3.31Å; E872-Q876 PolarHBondContact O-N 3.01Å; E872-F1019 HydrophobicContact CB-CE1 3.93Å; E872-F1019 HydrophobicContact CB-CE2 4.43Å; E872-F1019 HydrophobicContact CB-CZ 3.63Å; E872-F1019 HydrophobicContact CG-CE1 3.82Å; E872-F1019 HydrophobicContact CG-CZ 4.03Å; E872-R1023 IonicContact OE1-NH1 3.22Å; E872-R1023 PolarHBondContact OE1-NH1 3.18Å |
| 873 | V | 87.8 | Confident | 84.5 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | K869 I871 K877 | K869-V873 WeakPolarHBondContact O-CG2 3.24Å; K869-V873 PolarHBondContact O-N 2.81Å; I871-V873 PolarHBondContact O-N 3.39Å; V873-K877 VanDerWaalsContact O-CB 3.29Å; V873-K877 WeakPolarHBondContact O-CB 3.31Å; V873-K877 PolarHBondContact O-N 2.9Å |
| 874 | G | 83.8 | Confident | 85 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R870 I871 E872 K877 R878 | R870-G874 PolarHBondContact O-N 3.38Å; R870-G874 VanDerWaalsContact O-N 3.09Å; I871-G874 CarbonylContact O-C 3.48Å; I871-G874 WeakPolarHBondContact O-CA 3.37Å; I871-G874 PolarHBondContact O-N 2.97Å; E872-G874 VanDerWaalsContact C-N 3.33Å; E872-G874 PolarHBondContact O-N 3.12Å; G874-K877 PolarHBondContact O-N 3.1Å; G874-R878 PolarHBondContact O-N 3.42Å |
| 875 | L | 87.1 | Confident | 85.4 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.1 | -52.6 | 178.3 | -177.1 | 63.1 | 0 | 0 | 0 | 110.6 | I871 E872 K877 R878 H879 E1015 N1016 F1019 | I871-L875 WeakPolarHBondContact O-CB 3.46Å; I871-L875 PolarHBondContact O-N 3.48Å; E872-L875 PolarHBondContact O-N 2.78Å; L875-K877 PolarHBondContact O-N 2.8Å; L875-R878 VanDerWaalsContact CD1-NH2 3.26Å; L875-R878 PolarHBondContact O-N 3.02Å; L875-H879 VanDerWaalsContact CD1-CE1 3.49Å; L875-H879 WeakPolarHBondContact CD1-CE1 3.4Å; L875-H879 WeakPolarHBondContact CD1-NE2 3.1Å; L875-H879 PolarHBondContact O-N 2.76Å; L875-E1015 HydrophobicContact CD1-CB 3.96Å; L875-E1015 WeakPolarHBondContact CD1-OE2 3.43Å; L875-N1016 WeakPolarHBondContact CD2-OD1 3.36Å; L875-F1019 HydrophobicContact CD2-CB 3.78Å; L875-F1019 HydrophobicContact CD2-CD1 4.42Å; L875-F1019 HydrophobicContact CD2-CG 4.07Å |
| 876 | Q | 89.5 | Confident | 85.6 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -52.5 | -40.6 | 172.7 | -71.1 | 169 | -2 | 0 | 0 | 111.8 | E872 C880 | E872-Q876 WeakPolarHBondContact O-CB 3.44Å; E872-Q876 VanDerWaalsContact O-CG 3.24Å; E872-Q876 WeakPolarHBondContact O-CG 3.31Å; E872-Q876 PolarHBondContact O-N 3.01Å; Q876-C880 VanDerWaalsContact O-CB 3.27Å; Q876-C880 WeakPolarHBondContact O-CB 3.42Å; Q876-C880 PolarHBondContact O-N 3.08Å |
| 877 | K | 90.1 | Very high | 86.1 | Confident | 121 Ų | 121 | 70 Ų | 70 | 53% | 0.526 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 175.3 | -176.6 | -177.6 | 169.2 | -172 | 0 | 112.2 | V873 G874 L875 C880 E881 | V873-K877 VanDerWaalsContact O-CB 3.29Å; V873-K877 WeakPolarHBondContact O-CB 3.31Å; V873-K877 PolarHBondContact O-N 2.9Å; G874-K877 PolarHBondContact O-N 3.1Å; L875-K877 PolarHBondContact O-N 2.8Å; K877-C880 WeakPolarHBondContact O-CB 3.16Å; K877-C880 PolarHBondContact O-N 3.06Å; K877-E881 WeakPolarHBondContact CE-OE1 3.34Å; K877-E881 WeakPolarHBondContact CE-OE2 3.31Å; K877-E881 HydrophobicContact CG-CG 4.47Å; K877-E881 IonicContact NZ-OE1 3.97Å; K877-E881 PolarHBondContact NZ-OE1 3.35Å; K877-E881 WeakPolarHBondContact O-CG 3.36Å; K877-E881 PolarHBondContact O-N 2.94Å |
| 878 | R | 86.8 | Confident | 86.7 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 177.4 | -73.8 | -164.8 | -60.8 | 129.4 | -4.4 | 111.6 | G874 L875 C880 E881 E882 E1015 | G874-R878 PolarHBondContact O-N 3.42Å; L875-R878 VanDerWaalsContact CD1-NH2 3.26Å; L875-R878 PolarHBondContact O-N 3.02Å; R878-C880 VanDerWaalsContact C-N 3.28Å; R878-C880 PolarHBondContact O-N 3.34Å; R878-E881 PolarHBondContact O-N 3.3Å; R878-E882 WeakPolarHBondContact O-CG 3.47Å; R878-E882 PolarHBondContact O-N 3.37Å; R878-E1015 IonicContact CZ-OE1 2.73Å; R878-E1015 VanDerWaalsContact CZ-OE1 3.26Å; R878-E1015 IonicContact CZ-OE2 2.77Å; R878-E1015 IonicContact NH1-OE1 2.7Å; R878-E1015 PolarHBondContact NH1-OE1 3.04Å; R878-E1015 IonicContact NH1-OE2 3.58Å; R878-E1015 PolarHBondContact NH1-OE2 3.14Å; R878-E1015 IonicContact NH2-OE1 2.79Å; R878-E1015 PolarHBondContact NH2-OE1 3.19Å; R878-E1015 IonicContact NH2-OE2 3.85Å; R878-E1015 PolarHBondContact NH2-OE2 3.39Å; R878-E1015 VanDerWaalsContact NH2-OE2 3.14Å |
| 879 | H | 91 | Very high | 87 | Confident | 19 Ų | 19 | 78.1 Ų | 78.1 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.8 | -44 | 177.7 | -64.1 | 169 | 0 | 0 | 0 | 111.3 | L875 E881 E882 T883 H1012 E1015 N1016 | L875-H879 VanDerWaalsContact CD1-CE1 3.49Å; L875-H879 WeakPolarHBondContact CD1-CE1 3.4Å; L875-H879 WeakPolarHBondContact CD1-NE2 3.1Å; L875-H879 PolarHBondContact O-N 2.76Å; H879-E881 PolarHBondContact O-N 3.14Å; H879-E882 PolarHBondContact O-N 3.44Å; H879-T883 PolarHBondContact O-N 3.41Å; H879-T883 VanDerWaalsContact O-N 3.12Å; H879-T883 PolarHBondContact O-OG1 3.02Å; H879-T883 VanDerWaalsContact O-OG1 3.12Å; H879-H1012 VanDerWaalsContact CA-CE1 3.48Å; H879-H1012 WeakPolarHBondContact CA-CE1 3.41Å; H879-H1012 AromaticContact CD2-CD2 3.17Å; H879-H1012 PolarHBondContact CD2-CD2 2.79Å; H879-H1012 AromaticContact CD2-CG 3.54Å; H879-H1012 AromaticContact CD2-NE2 3.53Å; H879-H1012 AromaticContact CG-CD2 3.7Å; H879-H1012 AromaticContact CG-CG 3.59Å; H879-H1012 AromaticContact CG-ND1 3.8Å; H879-H1012 AromaticContact CG-NE2 3.96Å; H879-H1012 AromaticContact NE2-CD2 3.65Å; H879-H1012 AromaticContact NE2-CG 3.94Å; H879-H1012 PolarHBondContact O-CE1 3.33Å; H879-E1015 IonicContact CD2-OE2 3.84Å; H879-E1015 IonicContact CE1-OE2 3.17Å; H879-E1015 IonicContact NE2-OE2 3.16Å; H879-E1015 PolarHBondContact NE2-OE2 2.76Å; H879-N1016 PolarHBondContact CE1-ND2 3.49Å; H879-N1016 PolarHBondContact ND1-ND2 3.37Å |
| 880 | C | 90.9 | Very high | 87.2 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 175.4 | -164.5 | 0 | 0 | 0 | 0 | 113.3 | Q876 K877 R878 K884 | Q876-C880 VanDerWaalsContact O-CB 3.27Å; Q876-C880 WeakPolarHBondContact O-CB 3.42Å; Q876-C880 PolarHBondContact O-N 3.08Å; K877-C880 WeakPolarHBondContact O-CB 3.16Å; K877-C880 PolarHBondContact O-N 3.06Å; R878-C880 VanDerWaalsContact C-N 3.28Å; R878-C880 PolarHBondContact O-N 3.34Å; C880-K884 WeakPolarHBondContact O-CB 3.45Å; C880-K884 VanDerWaalsContact O-CD 3.32Å; C880-K884 WeakPolarHBondContact O-CD 3.26Å; C880-K884 WeakPolarHBondContact O-CG 3.42Å; C880-K884 PolarHBondContact O-N 2.98Å; C880-K884 VanDerWaalsContact O-N 3.12Å; C880-K884 WeakPolarHBondContact SG-CE 2.95Å; C880-K884 PolarHBondContact SG-NZ 2.92Å |
| 881 | E | 87.3 | Confident | 87.7 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.6 | -34.6 | 179.4 | -75.5 | 179.8 | 159.9 | 0 | 0 | 113 | K877 R878 H879 N885 | K877-E881 WeakPolarHBondContact CE-OE1 3.34Å; K877-E881 WeakPolarHBondContact CE-OE2 3.31Å; K877-E881 HydrophobicContact CG-CG 4.47Å; K877-E881 IonicContact NZ-OE1 3.97Å; K877-E881 PolarHBondContact NZ-OE1 3.35Å; K877-E881 WeakPolarHBondContact O-CG 3.36Å; K877-E881 PolarHBondContact O-N 2.94Å; R878-E881 PolarHBondContact O-N 3.3Å; H879-E881 PolarHBondContact O-N 3.14Å; E881-N885 WeakPolarHBondContact O-CB 3.48Å; E881-N885 PolarHBondContact O-N 3.44Å; E881-N885 PolarHBondContact O-ND2 3.19Å |
| 882 | E | 87.1 | Confident | 88.2 | Confident | 78 Ų | 78 | 81 Ų | 81 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.8 | -51.1 | 174.5 | -73.2 | 172.9 | -175.9 | 0 | 0 | 111 | R878 H879 K884 N885 L886 H1012 | R878-E882 WeakPolarHBondContact O-CG 3.47Å; R878-E882 PolarHBondContact O-N 3.37Å; H879-E882 PolarHBondContact O-N 3.44Å; E882-K884 VanDerWaalsContact C-N 3.26Å; E882-K884 PolarHBondContact O-N 2.79Å; E882-N885 PolarHBondContact O-N 2.96Å; E882-L886 PolarHBondContact O-N 3.22Å; E882-H1012 IonicContact OE2-CD2 2.74Å; E882-H1012 IonicContact OE2-CE1 2.87Å; E882-H1012 IonicContact OE2-NE2 2.67Å; E882-H1012 PolarHBondContact OE2-NE2 2.87Å |
| 883 | T | 89.1 | Confident | 88.4 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -35.2 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | H879 N885 P887 | H879-T883 PolarHBondContact O-N 3.41Å; H879-T883 VanDerWaalsContact O-N 3.12Å; H879-T883 PolarHBondContact O-OG1 3.02Å; H879-T883 VanDerWaalsContact O-OG1 3.12Å; T883-N885 VanDerWaalsContact C-N 3.33Å; T883-N885 PolarHBondContact O-N 3.39Å; T883-P887 WeakPolarHBondContact O-CD 3.48Å |
| 884 | K | 88.9 | Confident | 88.6 | Confident | 138 Ų | 138 | 79.2 Ų | 79.2 | 60% | 0.6 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70.6 | -21.2 | 173.7 | -78.6 | 168.9 | 179.4 | 164.7 | 0 | 114.7 | C880 E882 | C880-K884 WeakPolarHBondContact O-CB 3.45Å; C880-K884 VanDerWaalsContact O-CD 3.32Å; C880-K884 WeakPolarHBondContact O-CD 3.26Å; C880-K884 WeakPolarHBondContact O-CG 3.42Å; C880-K884 PolarHBondContact O-N 2.98Å; C880-K884 VanDerWaalsContact O-N 3.12Å; C880-K884 WeakPolarHBondContact SG-CE 2.95Å; C880-K884 PolarHBondContact SG-NZ 2.92Å; E882-K884 VanDerWaalsContact C-N 3.26Å; E882-K884 PolarHBondContact O-N 2.79Å |
| 885 | N | 88 | Confident | 88.9 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -103.1 | -22.8 | -178 | -74.9 | -49.7 | 0 | 0 | 0 | 113.5 | E881 E882 T883 K888 Y889 | E881-N885 WeakPolarHBondContact O-CB 3.48Å; E881-N885 PolarHBondContact O-N 3.44Å; E881-N885 PolarHBondContact O-ND2 3.19Å; E882-N885 PolarHBondContact O-N 2.96Å; T883-N885 VanDerWaalsContact C-N 3.33Å; T883-N885 PolarHBondContact O-N 3.39Å; N885-K888 WeakPolarHBondContact O-CB 3.41Å; N885-K888 PolarHBondContact O-N 3.28Å; N885-K888 PolarHBondContact OD1-NZ 3.26Å; N885-Y889 PolarHBondContact O-N 3.04Å |
| 886 | L | 87.2 | Confident | 89 | Confident | 25 Ų | 25 | 87.2 Ų | 87.2 | 13% | 0.131 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -48.6 | -46.3 | 178.1 | 177.1 | 62 | 0 | 0 | 0 | 113.8 | E882 K888 Y889 L890 Q1004 N1005 V1008 | E882-L886 PolarHBondContact O-N 3.22Å; L886-K888 VanDerWaalsContact C-N 3.28Å; L886-K888 PolarHBondContact O-N 2.87Å; L886-Y889 PolarHBondContact O-N 3.06Å; L886-L890 HydrophobicContact CD1-CD1 4.16Å; L886-L890 HydrophobicContact CD1-CG 4.08Å; L886-L890 HydrophobicContact CG-CD1 4.16Å; L886-L890 HydrophobicContact CG-CG 4.5Å; L886-L890 WeakPolarHBondContact O-CG 3.33Å; L886-L890 PolarHBondContact O-N 3.19Å; L886-Q1004 HydrophobicContact CD1-CB 4Å; L886-N1005 WeakPolarHBondContact CD2-OD1 3.3Å; L886-V1008 HydrophobicContact CD1-CG2 4.38Å; L886-V1008 HydrophobicContact CD2-CB 4.41Å; L886-V1008 HydrophobicContact CD2-CG2 4.15Å |
| 887 | P | 88.1 | Confident | 89.1 | Confident | 84 Ų | 84 | 83.2 Ų | 83.2 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.6 | -30.1 | 177.6 | -24.2 | 35.1 | 0 | 0 | 0 | 114.3 | T883 K891 | T883-P887 WeakPolarHBondContact O-CD 3.48Å; P887-K891 WeakPolarHBondContact O-CB 3.23Å; P887-K891 PolarHBondContact O-N 3.01Å; P887-K891 VanDerWaalsContact O-N 3.14Å |
| 888 | K | 87.7 | Confident | 89.1 | Confident | 136 Ų | 136 | 81.5 Ų | 81.5 | 59% | 0.591 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -71.9 | -43.4 | 178 | -54.3 | 173.1 | -169.1 | 163.4 | 0 | 110.6 | N885 L886 K891 Q892 | N885-K888 WeakPolarHBondContact O-CB 3.41Å; N885-K888 PolarHBondContact O-N 3.28Å; N885-K888 PolarHBondContact OD1-NZ 3.26Å; L886-K888 VanDerWaalsContact C-N 3.28Å; L886-K888 PolarHBondContact O-N 2.87Å; K888-K891 PolarHBondContact O-N 2.76Å; K888-Q892 PolarHBondContact O-N 2.64Å |
| 889 | Y | 87.5 | Confident | 89.3 | Confident | 95 Ų | 95 | 82.5 Ų | 82.5 | 37% | 0.373 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.1 | 171.8 | -104.8 | 0 | 0 | 0 | 111.7 | N885 L886 K891 Q892 K893 Q1004 | N885-Y889 PolarHBondContact O-N 3.04Å; L886-Y889 PolarHBondContact O-N 3.06Å; Y889-K891 PolarHBondContact O-N 2.88Å; Y889-Q892 WeakPolarHBondContact O-CB 3.23Å; Y889-Q892 PolarHBondContact O-N 2.84Å; Y889-K893 HydrophobicContact CD2-CG 4.47Å; Y889-K893 HydrophobicContact CE1-CG 4.26Å; Y889-K893 HydrophobicContact CE2-CD 4.44Å; Y889-K893 HydrophobicContact CE2-CG 4.01Å; Y889-K893 PolarHBondContact O-N 3.15Å; Y889-K893 WeakPolarHBondContact OH-CE 3.44Å; Y889-Q1004 HydrophobicContact CE1-CG 4.28Å |
| 890 | L | 89.6 | Confident | 89.3 | Confident | 12 Ų | 12 | 86.3 Ų | 86.3 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.4 | -50.1 | 175 | -72 | 177.1 | 0 | 0 | 0 | 111.4 | L886 Q892 K893 E894 L1000 Q1004 | L886-L890 HydrophobicContact CD1-CD1 4.16Å; L886-L890 HydrophobicContact CD1-CG 4.08Å; L886-L890 HydrophobicContact CG-CD1 4.16Å; L886-L890 HydrophobicContact CG-CG 4.5Å; L886-L890 WeakPolarHBondContact O-CG 3.33Å; L886-L890 PolarHBondContact O-N 3.19Å; L890-Q892 VanDerWaalsContact C-N 3.29Å; L890-Q892 PolarHBondContact O-N 2.93Å; L890-K893 PolarHBondContact O-N 3.17Å; L890-K893 VanDerWaalsContact O-N 3.1Å; L890-E894 WeakPolarHBondContact O-CB 3.24Å; L890-E894 PolarHBondContact O-N 2.66Å; L890-L1000 HydrophobicContact CD2-CG 4.44Å; L890-Q1004 HydrophobicContact CD2-CB 3.98Å; L890-Q1004 HydrophobicContact CD2-CG 4Å |
| 891 | K | 89.7 | Confident | 89.3 | Confident | 152 Ų | 152 | 85.2 Ų | 85.2 | 66% | 0.661 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.4 | -33.8 | 177.5 | -170.5 | 169.4 | -174.8 | 170.3 | 0 | 113.6 | P887 K888 Y889 L895 | P887-K891 WeakPolarHBondContact O-CB 3.23Å; P887-K891 PolarHBondContact O-N 3.01Å; P887-K891 VanDerWaalsContact O-N 3.14Å; K888-K891 PolarHBondContact O-N 2.76Å; Y889-K891 PolarHBondContact O-N 2.88Å; K891-L895 WeakPolarHBondContact O-CB 3.48Å; K891-L895 PolarHBondContact O-N 3.41Å; K891-L895 VanDerWaalsContact O-N 3.1Å |
| 892 | Q | 89.4 | Confident | 89.4 | Confident | 136 Ų | 136 | 86.9 Ų | 86.9 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.8 | -42 | 174.5 | -170.2 | -176.6 | 15.4 | 0 | 0 | 111.8 | K888 Y889 L890 L895 Q896 | K888-Q892 PolarHBondContact O-N 2.64Å; Y889-Q892 WeakPolarHBondContact O-CB 3.23Å; Y889-Q892 PolarHBondContact O-N 2.84Å; L890-Q892 VanDerWaalsContact C-N 3.29Å; L890-Q892 PolarHBondContact O-N 2.93Å; Q892-L895 PolarHBondContact O-N 2.84Å; Q892-Q896 PolarHBondContact O-N 3.04Å; Q892-Q896 VanDerWaalsContact O-N 3.12Å |
| 893 | K | 89.7 | Confident | 89.6 | Confident | 65 Ų | 65 | 85.5 Ų | 85.5 | 28% | 0.283 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 176.8 | -70.1 | -68.3 | -179.7 | -177.2 | 0 | 112.2 | Y889 L890 L895 Q896 I897 L1000 | Y889-K893 HydrophobicContact CD2-CG 4.47Å; Y889-K893 HydrophobicContact CE1-CG 4.26Å; Y889-K893 HydrophobicContact CE2-CD 4.44Å; Y889-K893 HydrophobicContact CE2-CG 4.01Å; Y889-K893 PolarHBondContact O-N 3.15Å; Y889-K893 WeakPolarHBondContact OH-CE 3.44Å; L890-K893 PolarHBondContact O-N 3.17Å; L890-K893 VanDerWaalsContact O-N 3.1Å; K893-L895 VanDerWaalsContact C-N 3.3Å; K893-L895 PolarHBondContact O-N 3.45Å; K893-Q896 WeakPolarHBondContact O-CB 3.12Å; K893-Q896 PolarHBondContact O-N 3.42Å; K893-Q896 VanDerWaalsContact O-N 3.12Å; K893-I897 WeakPolarHBondContact O-CG1 3.38Å; K893-I897 PolarHBondContact O-N 3.45Å; K893-L1000 HydrophobicContact CB-CD2 3.58Å; K893-L1000 HydrophobicContact CG-CD2 4.38Å |
| 894 | E | 91.7 | Very high | 89.6 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 23% | 0.229 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -54 | -47.3 | 171.2 | -168.2 | -157.1 | 165.8 | 0 | 0 | 110.9 | L890 Q896 I897 R898 I997 | L890-E894 WeakPolarHBondContact O-CB 3.24Å; L890-E894 PolarHBondContact O-N 2.66Å; E894-Q896 VanDerWaalsContact C-N 3.32Å; E894-Q896 PolarHBondContact O-N 2.86Å; E894-I897 PolarHBondContact O-N 3.08Å; E894-R898 WeakPolarHBondContact O-CB 3.42Å; E894-R898 WeakPolarHBondContact O-CG 3.26Å; E894-R898 PolarHBondContact O-N 2.71Å; E894-R898 IonicContact OE1-CZ 3.73Å; E894-R898 IonicContact OE1-NE 2.82Å; E894-R898 PolarHBondContact OE1-NE 2.93Å; E894-R898 IonicContact OE1-NH2 2.6Å; E894-R898 PolarHBondContact OE1-NH2 2.79Å; E894-I997 HydrophobicContact CG-CD1 3.93Å; E894-I997 HydrophobicContact CG-CG1 4.32Å; E894-I997 HydrophobicContact CG-CG2 4Å |
| 895 | L | 90.9 | Very high | 89.7 | Confident | 106 Ų | 106 | 77.5 Ų | 77.5 | 56% | 0.555 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.1 | -35 | 178.1 | -175.4 | 63 | 0 | 0 | 0 | 113 | K891 Q892 K893 K899 | K891-L895 WeakPolarHBondContact O-CB 3.48Å; K891-L895 PolarHBondContact O-N 3.41Å; K891-L895 VanDerWaalsContact O-N 3.1Å; Q892-L895 PolarHBondContact O-N 2.84Å; K893-L895 VanDerWaalsContact C-N 3.3Å; K893-L895 PolarHBondContact O-N 3.45Å; L895-K899 PolarHBondContact O-N 3.36Å |
| 896 | Q | 89.7 | Confident | 89.8 | Confident | 105 Ų | 105 | 80.4 Ų | 80.4 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 174.1 | -174.5 | 176.4 | 9.8 | 0 | 0 | 111.3 | Q892 K893 E894 K899 Q900 | Q892-Q896 PolarHBondContact O-N 3.04Å; Q892-Q896 VanDerWaalsContact O-N 3.12Å; K893-Q896 WeakPolarHBondContact O-CB 3.12Å; K893-Q896 PolarHBondContact O-N 3.42Å; K893-Q896 VanDerWaalsContact O-N 3.12Å; E894-Q896 VanDerWaalsContact C-N 3.32Å; E894-Q896 PolarHBondContact O-N 2.86Å; Q896-K899 WeakPolarHBondContact O-CB 3.37Å; Q896-K899 PolarHBondContact O-N 2.84Å; Q896-K899 VanDerWaalsContact O-N 3.12Å; Q896-Q900 PolarHBondContact O-N 3.29Å; Q896-Q900 VanDerWaalsContact O-N 3.09Å |
| 897 | I | 90.2 | Very high | 89.9 | Confident | 26 Ų | 26 | 83.9 Ų | 83.9 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 177.4 | -68.4 | 167.6 | 0 | 0 | 0 | 110.4 | K893 E894 K899 Q900 F901 Y993 I997 L1000 | K893-I897 WeakPolarHBondContact O-CG1 3.38Å; K893-I897 PolarHBondContact O-N 3.45Å; E894-I897 PolarHBondContact O-N 3.08Å; I897-K899 PolarHBondContact O-N 3.46Å; I897-Q900 WeakPolarHBondContact O-CB 3.48Å; I897-Q900 PolarHBondContact O-N 3.25Å; I897-Q900 VanDerWaalsContact O-N 3.16Å; I897-F901 PolarHBondContact O-N 2.9Å; I897-Y993 HydrophobicContact CG2-CD1 3.61Å; I897-Y993 HydrophobicContact CG2-CE1 4.2Å; I897-Y993 WeakPolarHBondContact O-CE1 3.34Å; I897-I997 HydrophobicContact CB-CG1 4.37Å; I897-I997 HydrophobicContact CD1-CG1 4.37Å; I897-I997 HydrophobicContact CG2-CD1 4.1Å; I897-I997 HydrophobicContact CG2-CG1 3.81Å; I897-L1000 HydrophobicContact CD1-CD2 3.86Å |
| 898 | R | 91 | Very high | 89.8 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 32% | 0.321 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -22.7 | 172.9 | -69.6 | -171.3 | -170.3 | -73.9 | -0.2 | 113.5 | E894 R902 N994 I997 | E894-R898 WeakPolarHBondContact O-CB 3.42Å; E894-R898 WeakPolarHBondContact O-CG 3.26Å; E894-R898 PolarHBondContact O-N 2.71Å; E894-R898 IonicContact OE1-CZ 3.73Å; E894-R898 IonicContact OE1-NE 2.82Å; E894-R898 PolarHBondContact OE1-NE 2.93Å; E894-R898 IonicContact OE1-NH2 2.6Å; E894-R898 PolarHBondContact OE1-NH2 2.79Å; R898-R902 WeakPolarHBondContact O-CG 3.44Å; R898-R902 PolarHBondContact O-N 2.88Å; R898-R902 PolarHBondContact O-NE 3.43Å; R898-N994 PolarHBondContact NH1-OD1 3.38Å; R898-I997 HydrophobicContact CG-CD1 4.21Å |
| 899 | K | 91.6 | Very high | 89.8 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.9 | -48.2 | 170.1 | -174.5 | -172.8 | 172.3 | -173.6 | 0 | 110.7 | L895 Q896 I897 F901 R902 D903 | L895-K899 PolarHBondContact O-N 3.36Å; Q896-K899 WeakPolarHBondContact O-CB 3.37Å; Q896-K899 PolarHBondContact O-N 2.84Å; Q896-K899 VanDerWaalsContact O-N 3.12Å; I897-K899 PolarHBondContact O-N 3.46Å; K899-F901 VanDerWaalsContact C-N 3.29Å; K899-F901 PolarHBondContact O-N 3.19Å; K899-R902 PolarHBondContact O-N 3.34Å; K899-R902 VanDerWaalsContact O-N 3.11Å; K899-D903 PolarHBondContact O-N 3.47Å |
| 900 | Q | 90.1 | Very high | 89.9 | Confident | 100 Ų | 100 | 83 Ų | 83 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.7 | -43.7 | 175.8 | -69.9 | 170.1 | -42.8 | 0 | 0 | 111.3 | Q896 I897 R902 D903 A904 Y993 | Q896-Q900 PolarHBondContact O-N 3.29Å; Q896-Q900 VanDerWaalsContact O-N 3.09Å; I897-Q900 WeakPolarHBondContact O-CB 3.48Å; I897-Q900 PolarHBondContact O-N 3.25Å; I897-Q900 VanDerWaalsContact O-N 3.16Å; Q900-R902 PolarHBondContact O-N 2.79Å; Q900-D903 PolarHBondContact O-N 3.44Å; Q900-A904 WeakPolarHBondContact O-CB 3.38Å; Q900-A904 PolarHBondContact O-N 3.16Å; Q900-Y993 HydrophobicContact CB-CE1 3.82Å |
| 901 | F | 91.2 | Very high | 89.7 | Confident | 31 Ų | 31 | 88.2 Ų | 88.2 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -54.2 | -50.4 | 171.8 | 173.4 | -112.5 | 0 | 0 | 0 | 113 | I897 K899 D903 A904 A905 L989 E990 Y993 | I897-F901 PolarHBondContact O-N 2.9Å; K899-F901 VanDerWaalsContact C-N 3.29Å; K899-F901 PolarHBondContact O-N 3.19Å; F901-D903 VanDerWaalsContact C-N 3.33Å; F901-D903 PolarHBondContact O-N 2.93Å; F901-A904 PolarHBondContact O-N 3.35Å; F901-A905 VanDerWaalsContact O-CB 3.31Å; F901-A905 WeakPolarHBondContact O-CB 3.31Å; F901-A905 PolarHBondContact O-N 3.33Å; F901-L989 HydrophobicContact CD2-CD2 4.11Å; F901-L989 HydrophobicContact CD2-CG 4.06Å; F901-L989 HydrophobicContact CE2-CB 4.37Å; F901-L989 HydrophobicContact CE2-CD2 4.06Å; F901-L989 HydrophobicContact CE2-CG 4.07Å; F901-E990 HydrophobicContact CE2-CB 3.75Å; F901-E990 HydrophobicContact CE2-CG 4.36Å; F901-E990 HydrophobicContact CZ-CB 3.74Å; F901-E990 HydrophobicContact CZ-CG 4.01Å; F901-Y993 HydrophobicContact CB-CD1 3.68Å; F901-Y993 HydrophobicContact CB-CD2 4.24Å; F901-Y993 HydrophobicContact CB-CE1 3.94Å; F901-Y993 HydrophobicContact CB-CE2 4.46Å; F901-Y993 HydrophobicContact CB-CG 3.84Å; F901-Y993 AromaticContact CD2-CD2 3.87Å; F901-Y993 HydrophobicContact CD2-CD2 3.87Å; F901-Y993 HydrophobicContact CD2-CE2 4.42Å; F901-Y993 AromaticContact CD2-CG 4Å; F901-Y993 HydrophobicContact CD2-CG 4Å; F901-Y993 HydrophobicContact CG-CG 4.3Å |
| 902 | R | 89.5 | Confident | 89.6 | Confident | 123 Ų | 123 | 81.9 Ų | 81.9 | 46% | 0.464 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 178.6 | -74.8 | -177.1 | -63.6 | -102.9 | -0.2 | 112.9 | R898 K899 Q900 R906 | R898-R902 WeakPolarHBondContact O-CG 3.44Å; R898-R902 PolarHBondContact O-N 2.88Å; R898-R902 PolarHBondContact O-NE 3.43Å; K899-R902 PolarHBondContact O-N 3.34Å; K899-R902 VanDerWaalsContact O-N 3.11Å; Q900-R902 PolarHBondContact O-N 2.79Å; R902-R906 WeakPolarHBondContact O-CB 3.49Å; R902-R906 PolarHBondContact O-N 2.97Å |
| 903 | D | 90.9 | Very high | 89.4 | Confident | 49 Ų | 49 | 81.6 Ų | 81.6 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.8 | -39.2 | 179.6 | -67.2 | -32.6 | 0 | 0 | 0 | 111.1 | K899 Q900 F901 R906 I907 | K899-D903 PolarHBondContact O-N 3.47Å; Q900-D903 PolarHBondContact O-N 3.44Å; F901-D903 VanDerWaalsContact C-N 3.33Å; F901-D903 PolarHBondContact O-N 2.93Å; D903-R906 WeakPolarHBondContact O-CB 3.4Å; D903-R906 PolarHBondContact O-N 3.32Å; D903-R906 IonicContact OD1-CZ 3.32Å; D903-R906 IonicContact OD1-NH1 2.87Å; D903-R906 PolarHBondContact OD1-NH1 3.12Å; D903-R906 IonicContact OD1-NH2 3.74Å; D903-R906 PolarHBondContact OD1-NH2 3Å; D903-I907 WeakPolarHBondContact O-CG1 3.49Å; D903-I907 PolarHBondContact O-N 2.73Å |
| 904 | A | 89.9 | Confident | 89.3 | Confident | 28 Ų | 28 | 83.9 Ų | 83.9 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q900 F901 R906 I907 Q908 L989 | Q900-A904 WeakPolarHBondContact O-CB 3.38Å; Q900-A904 PolarHBondContact O-N 3.16Å; F901-A904 PolarHBondContact O-N 3.35Å; A904-R906 VanDerWaalsContact C-N 3.27Å; A904-R906 PolarHBondContact O-N 2.84Å; A904-I907 WeakPolarHBondContact O-CB 3.42Å; A904-I907 PolarHBondContact O-N 3.06Å; A904-I907 VanDerWaalsContact O-N 3.08Å; A904-Q908 WeakPolarHBondContact O-CB 3.26Å; A904-Q908 PolarHBondContact O-N 3.45Å; A904-L989 HydrophobicContact CB-CD2 4.15Å |
| 905 | A | 89.7 | Confident | 89 | Confident | 20 Ų | 20 | 84 Ų | 84 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.1 | -34.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F901 K909 L989 | F901-A905 VanDerWaalsContact O-CB 3.31Å; F901-A905 WeakPolarHBondContact O-CB 3.31Å; F901-A905 PolarHBondContact O-N 3.33Å; A905-K909 VanDerWaalsContact O-CB 3.28Å; A905-K909 WeakPolarHBondContact O-CB 3.42Å; A905-K909 PolarHBondContact O-N 2.97Å; A905-L989 HydrophobicContact CB-CD2 4.46Å |
| 906 | R | 89.6 | Confident | 88.6 | Confident | 137 Ų | 137 | 84.9 Ų | 84.9 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 172.9 | -162.2 | -169.5 | -56 | 106.1 | 5.4 | 112.1 | R902 D903 A904 K910 | R902-R906 WeakPolarHBondContact O-CB 3.49Å; R902-R906 PolarHBondContact O-N 2.97Å; D903-R906 WeakPolarHBondContact O-CB 3.4Å; D903-R906 PolarHBondContact O-N 3.32Å; D903-R906 IonicContact OD1-CZ 3.32Å; D903-R906 IonicContact OD1-NH1 2.87Å; D903-R906 PolarHBondContact OD1-NH1 3.12Å; D903-R906 IonicContact OD1-NH2 3.74Å; D903-R906 PolarHBondContact OD1-NH2 3Å; A904-R906 VanDerWaalsContact C-N 3.27Å; A904-R906 PolarHBondContact O-N 2.84Å; R906-K910 WeakPolarHBondContact O-CG 3.42Å; R906-K910 PolarHBondContact O-N 2.91Å; R906-K910 VanDerWaalsContact O-N 3.1Å |
| 907 | I | 89.7 | Confident | 88.2 | Confident | 98 Ų | 98 | 82.8 Ų | 82.8 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.4 | -49.8 | 175.2 | -67.9 | 163.1 | 0 | 0 | 0 | 110.1 | D903 A904 K909 K910 Q911 | D903-I907 WeakPolarHBondContact O-CG1 3.49Å; D903-I907 PolarHBondContact O-N 2.73Å; A904-I907 WeakPolarHBondContact O-CB 3.42Å; A904-I907 PolarHBondContact O-N 3.06Å; A904-I907 VanDerWaalsContact O-N 3.08Å; I907-K909 VanDerWaalsContact C-N 3.32Å; I907-K909 PolarHBondContact O-N 3.1Å; I907-K910 WeakPolarHBondContact O-CB 3.27Å; I907-K910 PolarHBondContact O-N 2.78Å; I907-Q911 HydrophobicContact CG2-CG 4.46Å; I907-Q911 WeakPolarHBondContact O-CG 3.18Å; I907-Q911 PolarHBondContact O-N 3.47Å |
| 908 | Q | 86.8 | Confident | 87.9 | Confident | 28 Ų | 28 | 87.6 Ų | 87.6 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -53.8 | -46.7 | 175.8 | -176.4 | 179.1 | 63.8 | 0 | 0 | 111.5 | A904 K910 Q911 F912 K985 | A904-Q908 WeakPolarHBondContact O-CB 3.26Å; A904-Q908 PolarHBondContact O-N 3.45Å; Q908-K910 PolarHBondContact O-N 3.47Å; Q908-Q911 WeakPolarHBondContact O-CB 3.32Å; Q908-Q911 PolarHBondContact O-N 3.19Å; Q908-F912 HydrophobicContact CG-CD2 4.03Å; Q908-F912 HydrophobicContact CG-CE2 4.13Å; Q908-F912 WeakPolarHBondContact O-CD2 3.44Å; Q908-F912 PolarHBondContact O-N 2.96Å; Q908-K985 VanDerWaalsContact NE2-C 3.29Å; Q908-K985 PolarHBondContact NE2-O 3.25Å |
| 909 | K | 87.1 | Confident | 87.2 | Confident | 130 Ų | 130 | 90.4 Ų | 90.4 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.1 | -33.4 | 177 | -169.7 | 160.1 | -167 | 161.4 | 0 | 113.8 | A905 I907 K913 | A905-K909 VanDerWaalsContact O-CB 3.28Å; A905-K909 WeakPolarHBondContact O-CB 3.42Å; A905-K909 PolarHBondContact O-N 2.97Å; I907-K909 VanDerWaalsContact C-N 3.32Å; I907-K909 PolarHBondContact O-N 3.1Å; K909-K913 PolarHBondContact O-N 2.9Å |
| 910 | K | 89.1 | Confident | 86.4 | Confident | 140 Ų | 140 | 86.3 Ų | 86.3 | 61% | 0.609 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.3 | -43.8 | 170.2 | -78.9 | -178.1 | 173.8 | -170.8 | 0 | 111.4 | R906 I907 Q908 K913 L914 | R906-K910 WeakPolarHBondContact O-CG 3.42Å; R906-K910 PolarHBondContact O-N 2.91Å; R906-K910 VanDerWaalsContact O-N 3.1Å; I907-K910 WeakPolarHBondContact O-CB 3.27Å; I907-K910 PolarHBondContact O-N 2.78Å; Q908-K910 PolarHBondContact O-N 3.47Å; K910-K913 PolarHBondContact O-N 3.5Å; K910-L914 WeakPolarHBondContact O-CG 3.45Å; K910-L914 PolarHBondContact O-N 3.08Å |
| 911 | Q | 86.7 | Confident | 85.7 | Confident | 120 Ų | 120 | 86.8 Ų | 86.8 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.6 | -46 | 176.7 | -71.1 | 169.1 | -34.8 | 0 | 0 | 111.2 | I907 Q908 K913 L914 L915 | I907-Q911 HydrophobicContact CG2-CG 4.46Å; I907-Q911 WeakPolarHBondContact O-CG 3.18Å; I907-Q911 PolarHBondContact O-N 3.47Å; Q908-Q911 WeakPolarHBondContact O-CB 3.32Å; Q908-Q911 PolarHBondContact O-N 3.19Å; Q911-K913 VanDerWaalsContact C-N 3.35Å; Q911-K913 PolarHBondContact O-N 3.37Å; Q911-L914 PolarHBondContact O-N 2.92Å; Q911-L915 VanDerWaalsContact O-CB 3.32Å; Q911-L915 WeakPolarHBondContact O-CB 3.31Å; Q911-L915 PolarHBondContact O-N 3.06Å |
| 912 | F | 87.6 | Confident | 84.8 | Confident | 19 Ų | 19 | 87.5 Ų | 87.5 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 174.3 | -90.3 | -77.9 | 0 | 0 | 0 | 113.2 | Q908 L915 R916 E981 E982 K985 | Q908-F912 HydrophobicContact CG-CD2 4.03Å; Q908-F912 HydrophobicContact CG-CE2 4.13Å; Q908-F912 WeakPolarHBondContact O-CD2 3.44Å; Q908-F912 PolarHBondContact O-N 2.96Å; F912-L915 HydrophobicContact CD1-CD2 4.48Å; F912-R916 WeakPolarHBondContact O-CB 3.41Å; F912-R916 PolarHBondContact O-N 3.06Å; F912-E981 HydrophobicContact CE1-CB 4.11Å; F912-E981 HydrophobicContact CE1-CG 4.31Å; F912-E981 HydrophobicContact CZ-CB 4.23Å; F912-E981 HydrophobicContact CZ-CG 4.08Å; F912-E982 HydrophobicContact CB-CG 4.31Å; F912-E982 HydrophobicContact CD1-CB 3.9Å; F912-E982 HydrophobicContact CD1-CG 4.46Å; F912-E982 HydrophobicContact CD2-CB 4.16Å; F912-E982 HydrophobicContact CD2-CG 4.08Å; F912-E982 HydrophobicContact CE1-CB 4.02Å; F912-E982 HydrophobicContact CE2-CB 4.27Å; F912-E982 HydrophobicContact CG-CB 3.97Å; F912-E982 HydrophobicContact CG-CG 4.03Å; F912-E982 HydrophobicContact CZ-CB 4.2Å; F912-K985 HydrophobicContact CE2-CB 4.46Å; F912-K985 HydrophobicContact CE2-CD 4.2Å; F912-K985 HydrophobicContact CZ-CD 4.04Å |
| 913 | K | 85.8 | Confident | 83.7 | Confident | 131 Ų | 131 | 83 Ų | 83 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64 | -45 | 172.3 | -172.7 | 177.5 | -174.9 | -77.9 | 0 | 111.9 | K909 K910 Q911 R916 E917 | K909-K913 PolarHBondContact O-N 2.9Å; K910-K913 PolarHBondContact O-N 3.5Å; Q911-K913 VanDerWaalsContact C-N 3.35Å; Q911-K913 PolarHBondContact O-N 3.37Å; K913-R916 PolarHBondContact O-N 3.28Å; K913-E917 IonicContact NZ-OE1 2.62Å; K913-E917 PolarHBondContact NZ-OE1 3.44Å; K913-E917 WeakPolarHBondContact O-CG 3.41Å; K913-E917 PolarHBondContact O-N 3.23Å |
| 914 | L | 87 | Confident | 82.4 | Confident | 112 Ų | 112 | 87.9 Ų | 87.9 | 59% | 0.586 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.7 | -47.3 | 177.8 | -70.4 | 169.9 | 0 | 0 | 0 | 111.6 | K910 Q911 R916 E917 E918 | K910-L914 WeakPolarHBondContact O-CG 3.45Å; K910-L914 PolarHBondContact O-N 3.08Å; Q911-L914 PolarHBondContact O-N 2.92Å; L914-R916 VanDerWaalsContact C-N 3.28Å; L914-R916 PolarHBondContact O-N 3.43Å; L914-E917 PolarHBondContact O-N 3.47Å; L914-E917 VanDerWaalsContact O-N 3.15Å; L914-E918 WeakPolarHBondContact O-CB 3.43Å; L914-E918 PolarHBondContact O-N 3.1Å |
| 915 | L | 84.3 | Confident | 81 | Confident | 53 Ų | 53 | 94.8 Ų | 94.8 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 175.5 | 179.4 | 62.3 | 0 | 0 | 0 | 111.8 | Q911 F912 E918 R919 L978 | Q911-L915 VanDerWaalsContact O-CB 3.32Å; Q911-L915 WeakPolarHBondContact O-CB 3.31Å; Q911-L915 PolarHBondContact O-N 3.06Å; F912-L915 HydrophobicContact CD1-CD2 4.48Å; L915-E918 PolarHBondContact O-N 3.47Å; L915-R919 HydrophobicContact CD1-CG 4.3Å; L915-R919 WeakPolarHBondContact O-CB 3.18Å; L915-R919 WeakPolarHBondContact O-CG 3.39Å; L915-R919 PolarHBondContact O-N 3.22Å; L915-L978 HydrophobicContact CD2-CD2 3.78Å; L915-L978 HydrophobicContact CG-CD2 4.06Å |
| 916 | R | 83.1 | Confident | 79.6 | Confident | 123 Ų | 123 | 98.7 Ų | 98.7 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 173.7 | -179.9 | 176.6 | 176.3 | 162.6 | 5.8 | 111.8 | F912 K913 L914 E918 R919 L920 L975 | F912-R916 WeakPolarHBondContact O-CB 3.41Å; F912-R916 PolarHBondContact O-N 3.06Å; K913-R916 PolarHBondContact O-N 3.28Å; L914-R916 VanDerWaalsContact C-N 3.28Å; L914-R916 PolarHBondContact O-N 3.43Å; R916-E918 VanDerWaalsContact C-N 3.31Å; R916-E918 PolarHBondContact O-N 3.22Å; R916-R919 PolarHBondContact O-N 3Å; R916-L920 HydrophobicContact CG-CD1 4.04Å; R916-L920 WeakPolarHBondContact O-CB 3.5Å; R916-L920 WeakPolarHBondContact O-CD1 3.45Å; R916-L920 WeakPolarHBondContact O-CG 3.18Å; R916-L920 PolarHBondContact O-N 2.84Å; R916-L975 HydrophobicContact CG-CD2 3.59Å; R916-L975 VanDerWaalsContact NE-CD2 3.29Å |
| 917 | E | 81.9 | Confident | 78 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 29% | 0.29 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -37 | 175.4 | -75 | 176.2 | -148.2 | 0 | 0 | 112.7 | K913 L914 K921 | K913-E917 IonicContact NZ-OE1 2.62Å; K913-E917 PolarHBondContact NZ-OE1 3.44Å; K913-E917 WeakPolarHBondContact O-CG 3.41Å; K913-E917 PolarHBondContact O-N 3.23Å; L914-E917 PolarHBondContact O-N 3.47Å; L914-E917 VanDerWaalsContact O-N 3.15Å; E917-K921 WeakPolarHBondContact O-CB 3.48Å; E917-K921 WeakPolarHBondContact O-CD 3.5Å; E917-K921 WeakPolarHBondContact O-CG 3.48Å; E917-K921 PolarHBondContact O-N 3.48Å; E917-K921 IonicContact OE2-NZ 3.63Å |
| 918 | E | 82.6 | Confident | 76.1 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | 176.3 | -179.2 | 172.7 | -141.4 | 0 | 0 | 111.8 | L914 L915 R916 L920 K921 A922 | L914-E918 WeakPolarHBondContact O-CB 3.43Å; L914-E918 PolarHBondContact O-N 3.1Å; L915-E918 PolarHBondContact O-N 3.47Å; R916-E918 VanDerWaalsContact C-N 3.31Å; R916-E918 PolarHBondContact O-N 3.22Å; E918-L920 VanDerWaalsContact C-N 3.32Å; E918-L920 PolarHBondContact O-N 2.87Å; E918-K921 PolarHBondContact O-N 3.04Å; E918-K921 VanDerWaalsContact O-N 3.17Å; E918-A922 WeakPolarHBondContact O-CB 3.38Å; E918-A922 PolarHBondContact O-N 2.64Å |
| 919 | R | 77.7 | Confident | 74.3 | Confident | 145 Ų | 145 | 103.4 Ų | 103.4 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.2 | -71 | -74.5 | 179.3 | 167.4 | -0.3 | 112.2 | L915 R916 A922 A923 I974 L978 | L915-R919 HydrophobicContact CD1-CG 4.3Å; L915-R919 WeakPolarHBondContact O-CB 3.18Å; L915-R919 WeakPolarHBondContact O-CG 3.39Å; L915-R919 PolarHBondContact O-N 3.22Å; R916-R919 PolarHBondContact O-N 3Å; R919-A922 PolarHBondContact O-N 2.83Å; R919-A923 WeakPolarHBondContact O-CB 3.34Å; R919-A923 PolarHBondContact O-N 3.12Å; R919-I974 HydrophobicContact CB-CG2 4.27Å; R919-L978 HydrophobicContact CB-CD1 4.27Å; R919-L978 HydrophobicContact CG-CD1 4.23Å |
| 920 | L | 74.1 | Confident | 72.1 | Confident | 37 Ų | 37 | 100.7 Ų | 100.7 | 19% | 0.194 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 172.2 | -71.7 | 167.6 | 0 | 0 | 0 | 112.5 | R916 E918 R924 E971 L975 | R916-L920 HydrophobicContact CG-CD1 4.04Å; R916-L920 WeakPolarHBondContact O-CB 3.5Å; R916-L920 WeakPolarHBondContact O-CD1 3.45Å; R916-L920 WeakPolarHBondContact O-CG 3.18Å; R916-L920 PolarHBondContact O-N 2.84Å; E918-L920 VanDerWaalsContact C-N 3.32Å; E918-L920 PolarHBondContact O-N 2.87Å; L920-R924 WeakPolarHBondContact O-CG 3.26Å; L920-R924 PolarHBondContact O-N 3.34Å; L920-R924 VanDerWaalsContact O-N 3.16Å; L920-E971 HydrophobicContact CD2-CG 3.88Å; L920-E971 WeakPolarHBondContact CD2-OE1 3.48Å; L920-L975 HydrophobicContact CD1-CD2 4.47Å; L920-L975 HydrophobicContact CD2-CD1 4.37Å; L920-L975 HydrophobicContact CD2-CD2 4.29Å; L920-L975 HydrophobicContact CG-CD2 4.4Å |
| 921 | K | 75.4 | Confident | 69.6 | Low | 111 Ų | 111 | 99 Ų | 99 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 174.2 | -73.5 | 160.7 | -173.1 | 163 | 0 | 111.9 | E917 E918 R925 | E917-K921 WeakPolarHBondContact O-CB 3.48Å; E917-K921 WeakPolarHBondContact O-CD 3.5Å; E917-K921 WeakPolarHBondContact O-CG 3.48Å; E917-K921 PolarHBondContact O-N 3.48Å; E917-K921 IonicContact OE2-NZ 3.63Å; E918-K921 PolarHBondContact O-N 3.04Å; E918-K921 VanDerWaalsContact O-N 3.17Å; K921-R925 VanDerWaalsContact O-CG 3.31Å; K921-R925 WeakPolarHBondContact O-CG 3.18Å; K921-R925 PolarHBondContact O-N 2.9Å |
| 922 | A | 71.9 | Confident | 67 | Low | 46 Ų | 46 | 98.3 Ų | 98.3 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -49.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E918 R919 R924 R925 T926 | E918-A922 WeakPolarHBondContact O-CB 3.38Å; E918-A922 PolarHBondContact O-N 2.64Å; R919-A922 PolarHBondContact O-N 2.83Å; A922-R924 VanDerWaalsContact C-N 3.27Å; A922-R924 PolarHBondContact O-N 2.69Å; A922-R925 PolarHBondContact O-N 3.38Å; A922-R925 VanDerWaalsContact O-N 3.14Å; A922-T926 PolarHBondContact O-N 2.8Å; A922-T926 PolarHBondContact O-OG1 3.34Å; A922-T926 VanDerWaalsContact O-OG1 3.13Å |
| 923 | A | 66.8 | Low | 64.9 | Low | 28 Ų | 28 | 102.5 Ų | 102.5 | 23% | 0.231 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -57 | -37.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | R919 T926 S927 | R919-A923 WeakPolarHBondContact O-CB 3.34Å; R919-A923 PolarHBondContact O-N 3.12Å; A923-T926 VanDerWaalsContact C-OG1 3.27Å; A923-T926 VanDerWaalsContact CA-OG1 3.32Å; A923-T926 WeakPolarHBondContact CA-OG1 3.38Å; A923-T926 PolarHBondContact O-N 3.17Å; A923-T926 PolarHBondContact O-OG1 3.17Å; A923-S927 PolarHBondContact O-N 3.42Å |
| 924 | R | 64.8 | Low | 62.5 | Low | 152 Ų | 152 | 105.9 Ų | 105.9 | 57% | 0.574 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.3 | -39 | 175.6 | -68.6 | 175.5 | -174.2 | -154 | -2.5 | 113.4 | L920 A922 T926 S927 E928 | L920-R924 WeakPolarHBondContact O-CG 3.26Å; L920-R924 PolarHBondContact O-N 3.34Å; L920-R924 VanDerWaalsContact O-N 3.16Å; A922-R924 VanDerWaalsContact C-N 3.27Å; A922-R924 PolarHBondContact O-N 2.69Å; R924-T926 PolarHBondContact O-N 2.92Å; R924-S927 WeakPolarHBondContact CA-OG 3.47Å; R924-S927 PolarHBondContact O-N 2.89Å; R924-S927 PolarHBondContact O-OG 2.88Å; R924-E928 PolarHBondContact O-N 3.25Å |
| 925 | R | 60.2 | Low | 60.1 | Low | 172 Ų | 172 | 105.5 Ų | 105.5 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.4 | -35.1 | 172.2 | -74.8 | 168.7 | 176.5 | 169.5 | -3.7 | 111.7 | K921 A922 S927 L929 | K921-R925 VanDerWaalsContact O-CG 3.31Å; K921-R925 WeakPolarHBondContact O-CG 3.18Å; K921-R925 PolarHBondContact O-N 2.9Å; A922-R925 PolarHBondContact O-N 3.38Å; A922-R925 VanDerWaalsContact O-N 3.14Å; R925-S927 VanDerWaalsContact C-N 3.33Å; R925-L929 WeakPolarHBondContact O-CB 3.44Å; R925-L929 PolarHBondContact O-N 3.03Å |
| 926 | T | 59.6 | Low | 57.7 | Low | 103 Ų | 103 | 106.4 Ų | 106.4 | 63% | 0.632 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.1 | -15.8 | 173.7 | 45.1 | 0 | 0 | 0 | 0 | 114.7 | A922 A923 R924 | A922-T926 PolarHBondContact O-N 2.8Å; A922-T926 PolarHBondContact O-OG1 3.34Å; A922-T926 VanDerWaalsContact O-OG1 3.13Å; A923-T926 VanDerWaalsContact C-OG1 3.27Å; A923-T926 VanDerWaalsContact CA-OG1 3.32Å; A923-T926 WeakPolarHBondContact CA-OG1 3.38Å; A923-T926 PolarHBondContact O-N 3.17Å; A923-T926 PolarHBondContact O-OG1 3.17Å; R924-T926 PolarHBondContact O-N 2.92Å |
| 927 | S | 55 | Low | 55.6 | Low | 72 Ų | 72 | 105.9 Ų | 105.9 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -92.9 | -23.4 | 172.4 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | A923 R924 R925 | A923-S927 PolarHBondContact O-N 3.42Å; R924-S927 WeakPolarHBondContact CA-OG 3.47Å; R924-S927 PolarHBondContact O-N 2.89Å; R924-S927 PolarHBondContact O-OG 2.88Å; R925-S927 VanDerWaalsContact C-N 3.33Å |
| 928 | E | 51.3 | Low | 53.5 | Low | 158 Ų | 158 | 108.4 Ų | 108.4 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -94.4 | -13.8 | -177.5 | -69.3 | 174.8 | 177.1 | 0 | 0 | 113.8 | R924 | R924-E928 PolarHBondContact O-N 3.25Å |
| 929 | L | 48.1 | Very low | 51.4 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 69% | 0.686 | 65% | 0.645 | S | S | * | * | trans | -105.8 | 51.4 | -177.5 | -70.1 | 169.7 | 0 | 0 | 0 | 113.6 | R925 S931 | R925-L929 WeakPolarHBondContact O-CB 3.44Å; R925-L929 PolarHBondContact O-N 3.03Å; L929-S931 PolarHBondContact O-N 3.24Å; L929-S931 VanDerWaalsContact O-N 3.16Å | ||
| 930 | G | 41 | Very low | 49.7 | Very low | 74 Ų | 74 | 109.9 Ų | 109.9 | 76% | 0.763 | 65% | 0.654 | S | S | * | * | trans | -77.5 | 21.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 931 | S | 37.9 | Very low | 48.1 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -153.3 | 58.4 | -169.9 | -65.4 | 0 | 0 | 0 | 0 | 114.9 | L929 | L929-S931 PolarHBondContact O-N 3.24Å; L929-S931 VanDerWaalsContact O-N 3.16Å |
| 932 | S | 32.2 | Very low | 46.3 | Very low | 104 Ų | 104 | 114 Ų | 114 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | 64.9 | -179.4 | 173.6 | 85.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 933 | P | 42.9 | Very low | 44.9 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | cis | -132.3 | -174.9 | -11.2 | 37.8 | -20 | 0 | 0 | 0 | 114.9 | ||||
| 934 | F | 34.9 | Very low | 43.8 | Very low | 202 Ų | 202 | 121.1 Ų | 121.1 | 89% | 0.886 | 74% | 0.739 | S | S | * | * | trans | 80.3 | 164.6 | 146.7 | -123.1 | -102.9 | 0 | 0 | 0 | 121.1 | ||||
| 935 | S | 37.3 | Very low | 42.6 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -123.3 | 166.5 | -163.2 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 936 | G | 34.2 | Very low | 41.7 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 163.9 | 100.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 937 | A | 38.2 | Very low | 41.1 | Very low | 112 Ų | 112 | 120 Ų | 120 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | trans | 64.1 | 164 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 938 | S | 38 | Very low | 40.5 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -157.9 | 147.4 | -167.1 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 939 | E | 38.9 | Very low | 40.3 | Very low | 197 Ų | 197 | 117.5 Ų | 117.5 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -125.7 | 144.5 | 165.9 | -70.7 | -166.5 | 145.6 | 0 | 0 | 112.6 | ||||
| 940 | S | 41.7 | Very low | 40.1 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -78.1 | 164.8 | 176.4 | 48.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 941 | C | 40.7 | Very low | 40.3 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | cis | -166.6 | -153.3 | -18.3 | -94.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 942 | T | 37.4 | Very low | 40.7 | Very low | 120 Ų | 120 | 121 Ų | 121 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | cis | -160.9 | 152.4 | 5.5 | -33.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 943 | S | 41.6 | Very low | 41.2 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 47.7 | 140.4 | 150.2 | 56.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 944 | S | 43.3 | Very low | 41.1 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -170.1 | 134.3 | -2.2 | 42.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 945 | G | 41.1 | Very low | 41.4 | Very low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | 111.9 | 150.4 | 91.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 946 | L | 41.2 | Very low | 41.5 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | cis | -149.5 | 143.8 | 4.2 | -73.6 | 168.7 | 0 | 0 | 0 | 110.6 | ||||
| 947 | M | 45.4 | Very low | 42 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | 52.3 | 149.2 | 133.9 | -61.9 | -152.4 | 127 | 0 | 0 | 121.7 | ||||
| 948 | S | 44 | Very low | 42.2 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | cis | -173.5 | 174.7 | 1.2 | -105.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 949 | S | 45.7 | Very low | 42.6 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | cis | -176.4 | 161.4 | -16.5 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 950 | N | 44.6 | Very low | 43 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 71.6 | 148.2 | 151.3 | -69.3 | 8.2 | 0 | 0 | 0 | 121 | ||||
| 951 | S | 45.8 | Very low | 43.1 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | cis | -171.7 | 139.5 | -16.5 | 50.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 952 | N | 46.2 | Very low | 43.4 | Very low | 149 Ų | 149 | 119.8 Ų | 119.8 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | 57.4 | 145.4 | 139.6 | -52.9 | 5.9 | 0 | 0 | 0 | 119.9 | ||||
| 953 | N | 42.2 | Very low | 43.7 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | -161.2 | 176.5 | 52.6 | -121.7 | -11.3 | 0 | 0 | 0 | 114.5 | |||||
| 954 | C | 40.4 | Very low | 43.9 | Very low | 113 Ų | 113 | 120.2 Ų | 120.2 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | trans | -78.9 | -178.5 | 179.7 | -60.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 955 | S | 41.6 | Very low | 44.2 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | cis | -158.7 | 154.6 | 24.8 | -44.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 956 | D | 40.1 | Very low | 44.7 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | 21.4 | 127.5 | 145 | -46.9 | -25 | 0 | 0 | 0 | 123.1 | ||||
| 957 | S | 43 | Very low | 45.2 | Very low | 119 Ų | 119 | 116 Ų | 116 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | trans | -160.4 | 149.6 | 130.8 | -166.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 958 | V | 44.3 | Very low | 45.6 | Very low | 142 Ų | 142 | 112.7 Ų | 112.7 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | -64 | 140 | -169.1 | -77.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 959 | D | 45.8 | Very low | 46.4 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | trans | -152.5 | 130.4 | 138.5 | -172.6 | 2.3 | 0 | 0 | 0 | 110.5 | Q961 G962 Q963 | D959-Q961 WeakPolarHBondContact OD1-CB 3.31Å; D959-Q961 PolarHBondContact OD1-N 3.2Å; D959-Q961 WeakPolarHBondContact OD2-CB 3.4Å; D959-G962 VanDerWaalsContact O-CA 3.28Å; D959-G962 WeakPolarHBondContact O-CA 3.45Å; D959-G962 PolarHBondContact O-N 2.9Å; D959-G962 VanDerWaalsContact O-N 3.09Å; D959-Q963 PolarHBondContact O-N 3.46Å | ||
| 960 | L | 47.3 | Very low | 47.4 | Very low | 145 Ų | 145 | 114.1 Ų | 114.1 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.6 | -24.3 | 176.2 | -87.5 | 159.5 | 0 | 0 | 0 | 112.7 | G962 Q963 | L960-G962 PolarHBondContact O-N 3.39Å; L960-Q963 PolarHBondContact O-N 2.96Å |
| 961 | Q | 43.9 | Very low | 48.5 | Very low | 153 Ų | 153 | 109.8 Ų | 109.8 | 72% | 0.715 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63 | -36 | 163.1 | -139.8 | 84 | -0.1 | 0 | 0 | 109.9 | D959 Q963 | D959-Q961 WeakPolarHBondContact OD1-CB 3.31Å; D959-Q961 PolarHBondContact OD1-N 3.2Å; D959-Q961 WeakPolarHBondContact OD2-CB 3.4Å; Q961-Q963 PolarHBondContact O-N 3.33Å |
| 962 | G | 46.2 | Very low | 49.9 | Very low | 17 Ų | 17 | 114.4 Ų | 114.4 | 18% | 0.175 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -62.8 | -33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | D959 L960 L964 V965 I966 | D959-G962 VanDerWaalsContact O-CA 3.28Å; D959-G962 WeakPolarHBondContact O-CA 3.45Å; D959-G962 PolarHBondContact O-N 2.9Å; D959-G962 VanDerWaalsContact O-N 3.09Å; L960-G962 PolarHBondContact O-N 3.39Å; G962-L964 VanDerWaalsContact C-N 3.31Å; G962-L964 PolarHBondContact O-N 3.25Å; G962-V965 CarbonylContact O-C 3.58Å; G962-V965 PolarHBondContact O-N 3.17Å; G962-V965 VanDerWaalsContact O-N 3.1Å; G962-I966 WeakPolarHBondContact O-CB 3.46Å; G962-I966 VanDerWaalsContact O-CG1 3.23Å; G962-I966 WeakPolarHBondContact O-CG1 3.36Å; G962-I966 PolarHBondContact O-N 3.31Å |
| 963 | Q | 43.8 | Very low | 51.4 | Low | 107 Ų | 107 | 111.8 Ų | 111.8 | 50% | 0.5 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -56.5 | -41.9 | -178.7 | -130.2 | 90.2 | 52.3 | 0 | 0 | 112.8 | D959 L960 Q961 H967 | D959-Q963 PolarHBondContact O-N 3.46Å; L960-Q963 PolarHBondContact O-N 2.96Å; Q961-Q963 PolarHBondContact O-N 3.33Å; Q963-H967 PolarHBondContact O-CD2 3.47Å; Q963-H967 PolarHBondContact O-N 2.88Å; Q963-H967 VanDerWaalsContact O-N 3.1Å |
| 964 | L | 45.8 | Very low | 53.1 | Low | 129 Ų | 129 | 107.8 Ų | 107.8 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74 | -35.2 | 178.4 | -166.6 | 70.4 | 0 | 0 | 0 | 112 | G962 L968 | G962-L964 VanDerWaalsContact C-N 3.31Å; G962-L964 PolarHBondContact O-N 3.25Å; L964-L968 WeakPolarHBondContact O-CG 3.43Å; L964-L968 PolarHBondContact O-N 2.97Å |
| 965 | V | 50.7 | Low | 55 | Low | 81 Ų | 81 | 104 Ų | 104 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67 | -43 | 174.8 | 178 | 0 | 0 | 0 | 0 | 110.6 | G962 L968 Q969 | G962-V965 CarbonylContact O-C 3.58Å; G962-V965 PolarHBondContact O-N 3.17Å; G962-V965 VanDerWaalsContact O-N 3.1Å; V965-L968 CarbonylContact O-C 3.58Å; V965-L968 PolarHBondContact O-N 3.09Å; V965-Q969 WeakPolarHBondContact O-CB 3.46Å; V965-Q969 PolarHBondContact O-N 3.45Å |
| 966 | I | 51.6 | Low | 56.9 | Low | 90 Ų | 90 | 104.5 Ų | 104.5 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.3 | -69.6 | 162.8 | 0 | 0 | 0 | 110.4 | G962 L968 Q969 D970 | G962-I966 WeakPolarHBondContact O-CB 3.46Å; G962-I966 VanDerWaalsContact O-CG1 3.23Å; G962-I966 WeakPolarHBondContact O-CG1 3.36Å; G962-I966 PolarHBondContact O-N 3.31Å; I966-L968 VanDerWaalsContact C-N 3.28Å; I966-L968 PolarHBondContact O-N 3.29Å; I966-Q969 CarbonylContact O-C 3.57Å; I966-Q969 WeakPolarHBondContact O-CA 3.38Å; I966-Q969 WeakPolarHBondContact O-CB 3.46Å; I966-Q969 PolarHBondContact O-N 2.95Å; I966-D970 WeakPolarHBondContact O-CB 3.34Å; I966-D970 PolarHBondContact O-N 3.02Å |
| 967 | H | 51.2 | Low | 59 | Low | 88 Ų | 88 | 101.1 Ų | 101.1 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57 | -39.6 | 174.2 | -95.6 | -73.4 | 0 | 0 | 0 | 113.1 | Q963 E971 | Q963-H967 PolarHBondContact O-CD2 3.47Å; Q963-H967 PolarHBondContact O-N 2.88Å; Q963-H967 VanDerWaalsContact O-N 3.1Å; H967-E971 WeakPolarHBondContact O-CB 3.48Å; H967-E971 PolarHBondContact O-N 2.86Å |
| 968 | L | 54.7 | Low | 61 | Low | 104 Ų | 104 | 96.4 Ų | 96.4 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.9 | -30.8 | 175.3 | -69.7 | 168.9 | 0 | 0 | 0 | 112.9 | L964 V965 I966 R972 | L964-L968 WeakPolarHBondContact O-CG 3.43Å; L964-L968 PolarHBondContact O-N 2.97Å; V965-L968 CarbonylContact O-C 3.58Å; V965-L968 PolarHBondContact O-N 3.09Å; I966-L968 VanDerWaalsContact C-N 3.28Å; I966-L968 PolarHBondContact O-N 3.29Å; L968-R972 VanDerWaalsContact O-CB 3.3Å; L968-R972 WeakPolarHBondContact O-CB 3.33Å; L968-R972 PolarHBondContact O-N 3.34Å |
| 969 | Q | 59.8 | Low | 62.9 | Low | 120 Ų | 120 | 95.6 Ų | 95.6 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.2 | -46.3 | 174.6 | -145.8 | 89.5 | -38.2 | 0 | 0 | 110.2 | V965 I966 R972 Q973 | V965-Q969 WeakPolarHBondContact O-CB 3.46Å; V965-Q969 PolarHBondContact O-N 3.45Å; I966-Q969 CarbonylContact O-C 3.57Å; I966-Q969 WeakPolarHBondContact O-CA 3.38Å; I966-Q969 WeakPolarHBondContact O-CB 3.46Å; I966-Q969 PolarHBondContact O-N 2.95Å; Q969-R972 WeakPolarHBondContact O-CB 3.44Å; Q969-R972 PolarHBondContact O-N 3.49Å; Q969-Q973 WeakPolarHBondContact O-CB 3.13Å; Q969-Q973 PolarHBondContact O-N 2.95Å |
| 970 | D | 66.1 | Low | 64.9 | Low | 88 Ų | 88 | 94.7 Ų | 94.7 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 176.7 | -75.8 | -20.5 | 0 | 0 | 0 | 111.5 | I966 R972 Q973 I974 | I966-D970 WeakPolarHBondContact O-CB 3.34Å; I966-D970 PolarHBondContact O-N 3.02Å; D970-R972 VanDerWaalsContact C-N 3.3Å; D970-R972 PolarHBondContact O-N 2.83Å; D970-Q973 PolarHBondContact O-N 3.1Å; D970-I974 WeakPolarHBondContact O-CB 3.28Å; D970-I974 WeakPolarHBondContact O-CD1 3.4Å; D970-I974 VanDerWaalsContact O-CG1 3.22Å; D970-I974 WeakPolarHBondContact O-CG1 3.42Å; D970-I974 PolarHBondContact O-N 2.98Å |
| 971 | E | 67.4 | Low | 66.8 | Low | 59 Ų | 59 | 91.3 Ų | 91.3 | 28% | 0.276 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 173.1 | -172 | 178.8 | 172.9 | 0 | 0 | 110.5 | L920 H967 L975 | L920-E971 HydrophobicContact CD2-CG 3.88Å; L920-E971 WeakPolarHBondContact CD2-OE1 3.48Å; H967-E971 WeakPolarHBondContact O-CB 3.48Å; H967-E971 PolarHBondContact O-N 2.86Å; E971-L975 HydrophobicContact CG-CD1 4.31Å; E971-L975 WeakPolarHBondContact O-CB 3.46Å; E971-L975 WeakPolarHBondContact O-CG 3.24Å; E971-L975 PolarHBondContact O-N 3.13Å |
| 972 | R | 76.8 | Confident | 68.9 | Low | 181 Ų | 181 | 86.3 Ų | 86.3 | 68% | 0.683 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.7 | -46.8 | 174.4 | 177.8 | -178.2 | -78 | -152.2 | -0.4 | 112.1 | L968 Q969 D970 L975 E976 | L968-R972 VanDerWaalsContact O-CB 3.3Å; L968-R972 WeakPolarHBondContact O-CB 3.33Å; L968-R972 PolarHBondContact O-N 3.34Å; Q969-R972 WeakPolarHBondContact O-CB 3.44Å; Q969-R972 PolarHBondContact O-N 3.49Å; D970-R972 VanDerWaalsContact C-N 3.3Å; D970-R972 PolarHBondContact O-N 2.83Å; R972-L975 PolarHBondContact O-N 2.95Å; R972-E976 PolarHBondContact O-N 3.44Å |
| 973 | Q | 77.9 | Confident | 70.9 | Confident | 93 Ų | 93 | 92.2 Ų | 92.2 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | -176.4 | -168.3 | 63.3 | 57 | 0 | 0 | 111.8 | Q969 D970 L975 E976 N977 | Q969-Q973 WeakPolarHBondContact O-CB 3.13Å; Q969-Q973 PolarHBondContact O-N 2.95Å; D970-Q973 PolarHBondContact O-N 3.1Å; Q973-L975 VanDerWaalsContact C-N 3.34Å; Q973-E976 PolarHBondContact O-N 2.87Å; Q973-N977 PolarHBondContact NE2-OD1 3.43Å; Q973-N977 WeakPolarHBondContact O-CB 3.23Å; Q973-N977 PolarHBondContact O-N 2.64Å; Q973-N977 PolarHBondContact O-ND2 3.23Å; Q973-N977 PolarHBondContact O-OD1 3.05Å |
| 974 | I | 76.9 | Confident | 73.1 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 36% | 0.359 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 172.7 | -69.3 | 164.8 | 0 | 0 | 0 | 110.2 | R919 D970 E976 L978 | R919-I974 HydrophobicContact CB-CG2 4.27Å; D970-I974 WeakPolarHBondContact O-CB 3.28Å; D970-I974 WeakPolarHBondContact O-CD1 3.4Å; D970-I974 VanDerWaalsContact O-CG1 3.22Å; D970-I974 WeakPolarHBondContact O-CG1 3.42Å; D970-I974 PolarHBondContact O-N 2.98Å; I974-E976 PolarHBondContact O-N 3.48Å; I974-L978 HydrophobicContact CG2-CD1 3.99Å; I974-L978 WeakPolarHBondContact O-CB 3.34Å; I974-L978 VanDerWaalsContact O-CG 3.27Å; I974-L978 WeakPolarHBondContact O-CG 3.46Å; I974-L978 PolarHBondContact O-N 3.31Å |
| 975 | L | 79.4 | Confident | 75.2 | Confident | 34 Ų | 34 | 92.9 Ų | 92.9 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 178.2 | -72.2 | 179.7 | 0 | 0 | 0 | 113.4 | R916 L920 E971 R972 Q973 K979 | R916-L975 HydrophobicContact CG-CD2 3.59Å; R916-L975 VanDerWaalsContact NE-CD2 3.29Å; L920-L975 HydrophobicContact CD1-CD2 4.47Å; L920-L975 HydrophobicContact CD2-CD1 4.37Å; L920-L975 HydrophobicContact CD2-CD2 4.29Å; L920-L975 HydrophobicContact CG-CD2 4.4Å; E971-L975 HydrophobicContact CG-CD1 4.31Å; E971-L975 WeakPolarHBondContact O-CB 3.46Å; E971-L975 WeakPolarHBondContact O-CG 3.24Å; E971-L975 PolarHBondContact O-N 3.13Å; R972-L975 PolarHBondContact O-N 2.95Å; Q973-L975 VanDerWaalsContact C-N 3.34Å; L975-K979 WeakPolarHBondContact O-CB 3.48Å; L975-K979 PolarHBondContact O-N 2.93Å |
| 976 | E | 83 | Confident | 77 | Confident | 113 Ų | 113 | 92.8 Ų | 92.8 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.5 | -45.2 | 175.2 | -179.1 | 144.8 | -131 | 0 | 0 | 112 | R972 Q973 I974 L978 K979 L980 | R972-E976 PolarHBondContact O-N 3.44Å; Q973-E976 PolarHBondContact O-N 2.87Å; I974-E976 PolarHBondContact O-N 3.48Å; E976-L978 PolarHBondContact O-N 2.82Å; E976-K979 WeakPolarHBondContact O-CB 3.19Å; E976-K979 PolarHBondContact O-N 2.91Å; E976-K979 VanDerWaalsContact O-N 3.1Å; E976-L980 PolarHBondContact O-N 3.06Å |
| 977 | N | 84.4 | Confident | 78.8 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 47% | 0.465 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 175.8 | -69.9 | -9.4 | 0 | 0 | 0 | 111.2 | Q973 K979 L980 E981 | Q973-N977 PolarHBondContact NE2-OD1 3.43Å; Q973-N977 WeakPolarHBondContact O-CB 3.23Å; Q973-N977 PolarHBondContact O-N 2.64Å; Q973-N977 PolarHBondContact O-ND2 3.23Å; Q973-N977 PolarHBondContact O-OD1 3.05Å; N977-K979 VanDerWaalsContact C-N 3.3Å; N977-K979 PolarHBondContact O-N 3.31Å; N977-L980 PolarHBondContact O-N 3.48Å; N977-E981 WeakPolarHBondContact O-CB 3.28Å; N977-E981 PolarHBondContact O-N 3.49Å |
| 978 | L | 83.8 | Confident | 80.7 | Confident | 20 Ų | 20 | 92.1 Ų | 92.1 | 11% | 0.105 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 175.1 | -74.7 | 169.5 | 0 | 0 | 0 | 112.8 | L915 R919 I974 E976 E981 E982 | L915-L978 HydrophobicContact CD2-CD2 3.78Å; L915-L978 HydrophobicContact CG-CD2 4.06Å; R919-L978 HydrophobicContact CB-CD1 4.27Å; R919-L978 HydrophobicContact CG-CD1 4.23Å; I974-L978 HydrophobicContact CG2-CD1 3.99Å; I974-L978 WeakPolarHBondContact O-CB 3.34Å; I974-L978 VanDerWaalsContact O-CG 3.27Å; I974-L978 WeakPolarHBondContact O-CG 3.46Å; I974-L978 PolarHBondContact O-N 3.31Å; E976-L978 PolarHBondContact O-N 2.82Å; L978-E981 PolarHBondContact O-N 2.97Å; L978-E982 WeakPolarHBondContact O-CB 3.42Å; L978-E982 PolarHBondContact O-N 2.67Å |
| 979 | K | 85.3 | Confident | 82.3 | Confident | 125 Ų | 125 | 88.5 Ų | 88.5 | 54% | 0.543 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -73.5 | -31.5 | 178.7 | -175.7 | -175.4 | 178.1 | -169.8 | 0 | 112.4 | L975 E976 N977 K983 | L975-K979 WeakPolarHBondContact O-CB 3.48Å; L975-K979 PolarHBondContact O-N 2.93Å; E976-K979 WeakPolarHBondContact O-CB 3.19Å; E976-K979 PolarHBondContact O-N 2.91Å; E976-K979 VanDerWaalsContact O-N 3.1Å; N977-K979 VanDerWaalsContact C-N 3.3Å; N977-K979 PolarHBondContact O-N 3.31Å; K979-K983 WeakPolarHBondContact O-CG 3.47Å; K979-K983 PolarHBondContact O-N 3.01Å |
| 980 | L | 88.2 | Confident | 83.8 | Confident | 85 Ų | 85 | 86.7 Ų | 86.7 | 45% | 0.445 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.2 | -39 | 171.1 | -177.3 | 61.5 | 0 | 0 | 0 | 111.1 | E976 N977 K983 R984 | E976-L980 PolarHBondContact O-N 3.06Å; N977-L980 PolarHBondContact O-N 3.48Å; L980-K983 PolarHBondContact O-N 2.91Å; L980-R984 WeakPolarHBondContact O-CG 3.44Å; L980-R984 PolarHBondContact O-N 3.24Å |
| 981 | E | 87 | Confident | 85 | Confident | 74 Ų | 74 | 85.4 Ų | 85.4 | 35% | 0.346 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 175.5 | -161.8 | -174.3 | 173.2 | 0 | 0 | 112.4 | F912 N977 L978 K983 R984 K985 | F912-E981 HydrophobicContact CE1-CB 4.11Å; F912-E981 HydrophobicContact CE1-CG 4.31Å; F912-E981 HydrophobicContact CZ-CB 4.23Å; F912-E981 HydrophobicContact CZ-CG 4.08Å; N977-E981 WeakPolarHBondContact O-CB 3.28Å; N977-E981 PolarHBondContact O-N 3.49Å; L978-E981 PolarHBondContact O-N 2.97Å; E981-K983 VanDerWaalsContact C-N 3.35Å; E981-K983 PolarHBondContact O-N 3.39Å; E981-R984 PolarHBondContact O-N 3.49Å; E981-K985 HydrophobicContact CG-CD 4.41Å; E981-K985 PolarHBondContact O-N 2.91Å; E981-K985 WeakPolarHBondContact OE1-CE 3.39Å; E981-K985 IonicContact OE1-NZ 3.53Å; E981-K985 PolarHBondContact OE1-NZ 3.42Å |
| 982 | E | 87.6 | Confident | 86.2 | Confident | 47 Ų | 47 | 88.5 Ų | 88.5 | 22% | 0.22 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55.1 | -49.6 | 170.9 | -174.9 | -176 | -169.7 | 0 | 0 | 110.3 | F912 L978 Q986 | F912-E982 HydrophobicContact CB-CG 4.31Å; F912-E982 HydrophobicContact CD1-CB 3.9Å; F912-E982 HydrophobicContact CD1-CG 4.46Å; F912-E982 HydrophobicContact CD2-CB 4.16Å; F912-E982 HydrophobicContact CD2-CG 4.08Å; F912-E982 HydrophobicContact CE1-CB 4.02Å; F912-E982 HydrophobicContact CE2-CB 4.27Å; F912-E982 HydrophobicContact CG-CB 3.97Å; F912-E982 HydrophobicContact CG-CG 4.03Å; F912-E982 HydrophobicContact CZ-CB 4.2Å; L978-E982 WeakPolarHBondContact O-CB 3.42Å; L978-E982 PolarHBondContact O-N 2.67Å; E982-Q986 WeakPolarHBondContact O-CB 3.47Å; E982-Q986 PolarHBondContact O-N 2.95Å |
| 983 | K | 87.7 | Confident | 86.9 | Confident | 141 Ų | 141 | 82.3 Ų | 82.3 | 61% | 0.613 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.3 | -46.4 | 177.4 | -78.9 | -177.1 | 171.5 | -169.6 | 0 | 113.3 | K979 L980 E981 Q986 A987 | K979-K983 WeakPolarHBondContact O-CG 3.47Å; K979-K983 PolarHBondContact O-N 3.01Å; L980-K983 PolarHBondContact O-N 2.91Å; E981-K983 VanDerWaalsContact C-N 3.35Å; E981-K983 PolarHBondContact O-N 3.39Å; K983-Q986 PolarHBondContact O-N 3.49Å; K983-A987 PolarHBondContact O-N 3.13Å |
| 984 | R | 90.1 | Very high | 87.6 | Confident | 159 Ų | 159 | 80.7 Ų | 80.7 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.8 | -55.3 | -179.8 | -76.9 | 179.5 | 176.1 | 178 | -1 | 110.7 | L980 E981 Q986 A987 D988 | L980-R984 WeakPolarHBondContact O-CG 3.44Å; L980-R984 PolarHBondContact O-N 3.24Å; E981-R984 PolarHBondContact O-N 3.49Å; R984-Q986 PolarHBondContact O-N 3.18Å; R984-Q986 VanDerWaalsContact O-N 3.16Å; R984-A987 PolarHBondContact O-N 3.21Å; R984-D988 VanDerWaalsContact O-CG 3.23Å; R984-D988 PolarHBondContact O-N 3.47Å; R984-D988 VanDerWaalsContact O-OD2 3.09Å |
| 985 | K | 89.7 | Confident | 88.3 | Confident | 92 Ų | 92 | 83.8 Ų | 83.8 | 40% | 0.4 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.7 | -22.4 | -179.3 | -63.5 | -173.6 | -171.9 | 169.3 | 0 | 113.5 | Q908 F912 E981 L989 | Q908-K985 VanDerWaalsContact NE2-C 3.29Å; Q908-K985 PolarHBondContact NE2-O 3.25Å; F912-K985 HydrophobicContact CE2-CB 4.46Å; F912-K985 HydrophobicContact CE2-CD 4.2Å; F912-K985 HydrophobicContact CZ-CD 4.04Å; E981-K985 HydrophobicContact CG-CD 4.41Å; E981-K985 PolarHBondContact O-N 2.91Å; E981-K985 WeakPolarHBondContact OE1-CE 3.39Å; E981-K985 IonicContact OE1-NZ 3.53Å; E981-K985 PolarHBondContact OE1-NZ 3.42Å; K985-L989 WeakPolarHBondContact O-CB 3.5Å; K985-L989 PolarHBondContact O-N 3.45Å |
| 986 | Q | 87.9 | Confident | 88.9 | Confident | 79 Ų | 79 | 84.9 Ų | 84.9 | 37% | 0.369 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -75.1 | -40.5 | 170.3 | -171 | -175.7 | -33.8 | 0 | 0 | 111.9 | E982 K983 R984 L989 E990 | E982-Q986 WeakPolarHBondContact O-CB 3.47Å; E982-Q986 PolarHBondContact O-N 2.95Å; K983-Q986 PolarHBondContact O-N 3.49Å; R984-Q986 PolarHBondContact O-N 3.18Å; R984-Q986 VanDerWaalsContact O-N 3.16Å; Q986-L989 WeakPolarHBondContact O-CB 3.35Å; Q986-L989 PolarHBondContact O-N 3.16Å; Q986-E990 PolarHBondContact O-N 3.43Å |
| 987 | A | 89.6 | Confident | 89.3 | Confident | 56 Ų | 56 | 80.1 Ų | 80.1 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K983 R984 L989 E990 A991 | K983-A987 PolarHBondContact O-N 3.13Å; R984-A987 PolarHBondContact O-N 3.21Å; A987-L989 VanDerWaalsContact C-N 3.28Å; A987-L989 PolarHBondContact O-N 3.07Å; A987-E990 PolarHBondContact O-N 2.9Å; A987-A991 PolarHBondContact O-N 2.96Å |
| 988 | D | 91 | Very high | 89.6 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.3 | -41.9 | 175.2 | -58.8 | -37.1 | 0 | 0 | 0 | 111 | R984 A991 Q992 | R984-D988 VanDerWaalsContact O-CG 3.23Å; R984-D988 PolarHBondContact O-N 3.47Å; R984-D988 VanDerWaalsContact O-OD2 3.09Å; D988-A991 PolarHBondContact O-N 3.21Å; D988-Q992 WeakPolarHBondContact O-CB 3.38Å; D988-Q992 PolarHBondContact O-N 3.24Å |
| 989 | L | 89.5 | Confident | 90 | Very high | 28 Ų | 28 | 81.4 Ų | 81.4 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175 | -169.6 | 72.6 | 0 | 0 | 0 | 111.2 | F901 A904 A905 K985 Q986 A987 A991 Q992 Y993 | F901-L989 HydrophobicContact CD2-CD2 4.11Å; F901-L989 HydrophobicContact CD2-CG 4.06Å; F901-L989 HydrophobicContact CE2-CB 4.37Å; F901-L989 HydrophobicContact CE2-CD2 4.06Å; F901-L989 HydrophobicContact CE2-CG 4.07Å; A904-L989 HydrophobicContact CB-CD2 4.15Å; A905-L989 HydrophobicContact CB-CD2 4.46Å; K985-L989 WeakPolarHBondContact O-CB 3.5Å; K985-L989 PolarHBondContact O-N 3.45Å; Q986-L989 WeakPolarHBondContact O-CB 3.35Å; Q986-L989 PolarHBondContact O-N 3.16Å; A987-L989 VanDerWaalsContact C-N 3.28Å; A987-L989 PolarHBondContact O-N 3.07Å; L989-A991 PolarHBondContact O-N 2.95Å; L989-Q992 PolarHBondContact O-N 3.32Å; L989-Y993 HydrophobicContact CD1-CD2 4.06Å; L989-Y993 HydrophobicContact CD1-CE2 3.76Å; L989-Y993 HydrophobicContact CG-CD2 4.05Å; L989-Y993 HydrophobicContact CG-CE2 4.09Å; L989-Y993 VanDerWaalsContact O-CD2 3.31Å; L989-Y993 WeakPolarHBondContact O-CD2 3.44Å; L989-Y993 PolarHBondContact O-N 3.45Å |
| 990 | E | 90.6 | Very high | 90.3 | Very high | 82 Ų | 82 | 77.1 Ų | 77.1 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 178.3 | -175.2 | 159.6 | -171.2 | 0 | 0 | 112.3 | F901 Q986 A987 Y993 N994 | F901-E990 HydrophobicContact CE2-CB 3.75Å; F901-E990 HydrophobicContact CE2-CG 4.36Å; F901-E990 HydrophobicContact CZ-CB 3.74Å; F901-E990 HydrophobicContact CZ-CG 4.01Å; Q986-E990 PolarHBondContact O-N 3.43Å; A987-E990 PolarHBondContact O-N 2.9Å; E990-Y993 PolarHBondContact O-N 3.39Å; E990-N994 WeakPolarHBondContact CG-ND2 3.2Å; E990-N994 WeakPolarHBondContact O-CB 3.29Å; E990-N994 PolarHBondContact O-N 3.38Å; E990-N994 PolarHBondContact O-ND2 3.01Å |
| 991 | A | 92.4 | Very high | 90.4 | Very high | 61 Ų | 61 | 76.2 Ų | 76.2 | 50% | 0.504 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A987 D988 L989 N994 K995 | A987-A991 PolarHBondContact O-N 2.96Å; D988-A991 PolarHBondContact O-N 3.21Å; L989-A991 PolarHBondContact O-N 2.95Å; A991-N994 PolarHBondContact O-N 3.42Å; A991-K995 WeakPolarHBondContact O-CB 3.4Å; A991-K995 PolarHBondContact O-N 3.28Å |
| 992 | Q | 91.6 | Very high | 90.6 | Very high | 123 Ų | 123 | 78.4 Ų | 78.4 | 58% | 0.575 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.7 | -48.2 | 175.8 | -172.2 | -179.1 | 36.8 | 0 | 0 | 111.5 | D988 L989 K995 S996 | D988-Q992 WeakPolarHBondContact O-CB 3.38Å; D988-Q992 PolarHBondContact O-N 3.24Å; L989-Q992 PolarHBondContact O-N 3.32Å; Q992-K995 PolarHBondContact O-N 3.44Å; Q992-S996 PolarHBondContact O-N 3.11Å; Q992-S996 PolarHBondContact O-OG 3.46Å |
| 993 | Y | 91.9 | Very high | 90.8 | Very high | 52 Ų | 52 | 83.1 Ų | 83.1 | 20% | 0.204 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 179.5 | -89.7 | -92.9 | 0 | 0 | 0 | 112.9 | I897 Q900 F901 L989 E990 S996 I997 | I897-Y993 HydrophobicContact CG2-CD1 3.61Å; I897-Y993 HydrophobicContact CG2-CE1 4.2Å; I897-Y993 WeakPolarHBondContact O-CE1 3.34Å; Q900-Y993 HydrophobicContact CB-CE1 3.82Å; F901-Y993 HydrophobicContact CB-CD1 3.68Å; F901-Y993 HydrophobicContact CB-CD2 4.24Å; F901-Y993 HydrophobicContact CB-CE1 3.94Å; F901-Y993 HydrophobicContact CB-CE2 4.46Å; F901-Y993 HydrophobicContact CB-CG 3.84Å; F901-Y993 AromaticContact CD2-CD2 3.87Å; F901-Y993 HydrophobicContact CD2-CD2 3.87Å; F901-Y993 HydrophobicContact CD2-CE2 4.42Å; F901-Y993 AromaticContact CD2-CG 4Å; F901-Y993 HydrophobicContact CD2-CG 4Å; F901-Y993 HydrophobicContact CG-CG 4.3Å; L989-Y993 HydrophobicContact CD1-CD2 4.06Å; L989-Y993 HydrophobicContact CD1-CE2 3.76Å; L989-Y993 HydrophobicContact CG-CD2 4.05Å; L989-Y993 HydrophobicContact CG-CE2 4.09Å; L989-Y993 VanDerWaalsContact O-CD2 3.31Å; L989-Y993 WeakPolarHBondContact O-CD2 3.44Å; L989-Y993 PolarHBondContact O-N 3.45Å; E990-Y993 PolarHBondContact O-N 3.39Å; Y993-S996 PolarHBondContact O-N 2.91Å; Y993-I997 WeakPolarHBondContact O-CG1 3.25Å; Y993-I997 PolarHBondContact O-N 3.49Å |
| 994 | N | 91.7 | Very high | 91 | Very high | 59 Ų | 59 | 78.2 Ų | 78.2 | 32% | 0.316 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 175 | -75 | -36.1 | 0 | 0 | 0 | 111.7 | R898 E990 A991 S996 I997 S998 | R898-N994 PolarHBondContact NH1-OD1 3.38Å; E990-N994 WeakPolarHBondContact CG-ND2 3.2Å; E990-N994 WeakPolarHBondContact O-CB 3.29Å; E990-N994 PolarHBondContact O-N 3.38Å; E990-N994 PolarHBondContact O-ND2 3.01Å; A991-N994 PolarHBondContact O-N 3.42Å; N994-S996 VanDerWaalsContact C-N 3.32Å; N994-S996 PolarHBondContact O-N 2.93Å; N994-I997 WeakPolarHBondContact O-CB 3.5Å; N994-I997 PolarHBondContact O-N 3.16Å; N994-I997 VanDerWaalsContact O-N 3.08Å; N994-S998 PolarHBondContact O-N 3.44Å; N994-S998 VanDerWaalsContact O-N 3.13Å |
| 995 | K | 92.9 | Very high | 90.9 | Very high | 135 Ų | 135 | 73.8 Ų | 73.8 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.8 | -43.8 | 172.1 | 176.1 | 170.9 | 171.1 | 171 | 0 | 111.6 | A991 Q992 I997 S998 E999 | A991-K995 WeakPolarHBondContact O-CB 3.4Å; A991-K995 PolarHBondContact O-N 3.28Å; Q992-K995 PolarHBondContact O-N 3.44Å; K995-I997 PolarHBondContact O-N 3.31Å; K995-S998 PolarHBondContact O-N 3.16Å; K995-E999 WeakPolarHBondContact CE-OE1 3.31Å; K995-E999 HydrophobicContact CG-CG 4.4Å; K995-E999 IonicContact NZ-OE1 3.17Å; K995-E999 WeakPolarHBondContact O-CG 3.38Å; K995-E999 PolarHBondContact O-N 3.31Å |
| 996 | S | 91.3 | Very high | 91 | Very high | 56 Ų | 56 | 73.9 Ų | 73.9 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.9 | -25.3 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 114.2 | Q992 Y993 N994 L1000 | Q992-S996 PolarHBondContact O-N 3.11Å; Q992-S996 PolarHBondContact O-OG 3.46Å; Y993-S996 PolarHBondContact O-N 2.91Å; N994-S996 VanDerWaalsContact C-N 3.32Å; N994-S996 PolarHBondContact O-N 2.93Å; S996-L1000 WeakPolarHBondContact O-CB 3.21Å; S996-L1000 PolarHBondContact O-N 3.07Å |
| 997 | I | 91.3 | Very high | 91.1 | Very high | 14 Ų | 14 | 76.1 Ų | 76.1 | 7% | 0.072 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -77.5 | -45.7 | 174.5 | -68.5 | 163.5 | 0 | 0 | 0 | 110.6 | E894 I897 R898 Y993 N994 K995 L1000 H1001 | E894-I997 HydrophobicContact CG-CD1 3.93Å; E894-I997 HydrophobicContact CG-CG1 4.32Å; E894-I997 HydrophobicContact CG-CG2 4Å; I897-I997 HydrophobicContact CB-CG1 4.37Å; I897-I997 HydrophobicContact CD1-CG1 4.37Å; I897-I997 HydrophobicContact CG2-CD1 4.1Å; I897-I997 HydrophobicContact CG2-CG1 3.81Å; R898-I997 HydrophobicContact CG-CD1 4.21Å; Y993-I997 WeakPolarHBondContact O-CG1 3.25Å; Y993-I997 PolarHBondContact O-N 3.49Å; N994-I997 WeakPolarHBondContact O-CB 3.5Å; N994-I997 PolarHBondContact O-N 3.16Å; N994-I997 VanDerWaalsContact O-N 3.08Å; K995-I997 PolarHBondContact O-N 3.31Å; I997-L1000 WeakPolarHBondContact O-CB 3.12Å; I997-L1000 PolarHBondContact O-N 3.36Å; I997-L1000 VanDerWaalsContact O-N 3.13Å; I997-H1001 PolarHBondContact O-CD2 3.34Å; I997-H1001 PolarHBondContact O-N 2.83Å; I997-H1001 VanDerWaalsContact O-N 3.09Å |
| 998 | S | 91.4 | Very high | 91.1 | Very high | 80 Ų | 80 | 74.6 Ų | 74.6 | 56% | 0.559 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.8 | -48.4 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 112 | N994 K995 L1000 H1001 E1002 | N994-S998 PolarHBondContact O-N 3.44Å; N994-S998 VanDerWaalsContact O-N 3.13Å; K995-S998 PolarHBondContact O-N 3.16Å; S998-L1000 PolarHBondContact O-N 3.1Å; S998-H1001 PolarHBondContact O-N 3.39Å; S998-H1001 VanDerWaalsContact O-N 3.08Å; S998-E1002 PolarHBondContact O-N 3.19Å |
| 999 | E | 92 | Very high | 91.1 | Very high | 53 Ų | 53 | 76.1 Ų | 76.1 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.4 | -23.8 | 176.3 | -66.1 | -177.8 | -165.8 | 0 | 0 | 113.1 | K995 R1003 | K995-E999 WeakPolarHBondContact CE-OE1 3.31Å; K995-E999 HydrophobicContact CG-CG 4.4Å; K995-E999 IonicContact NZ-OE1 3.17Å; K995-E999 WeakPolarHBondContact O-CG 3.38Å; K995-E999 PolarHBondContact O-N 3.31Å; E999-R1003 VanDerWaalsContact O-CB 3.3Å; E999-R1003 WeakPolarHBondContact O-CB 3.19Å; E999-R1003 VanDerWaalsContact O-CD 3.27Å; E999-R1003 WeakPolarHBondContact O-CD 2.79Å; E999-R1003 WeakPolarHBondContact O-CG 3.48Å; E999-R1003 PolarHBondContact O-N 2.73Å; E999-R1003 IonicContact OE2-CZ 2.71Å; E999-R1003 IonicContact OE2-NH1 2.87Å; E999-R1003 PolarHBondContact OE2-NH1 3Å; E999-R1003 IonicContact OE2-NH2 2.77Å; E999-R1003 PolarHBondContact OE2-NH2 3.33Å |
| 1000 | L | 91.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 78.7 Ų | 78.7 | 19% | 0.188 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.3 | -42.2 | 173.1 | 177.3 | 70.6 | 0 | 0 | 0 | 111 | L890 K893 I897 S996 I997 S998 Q1004 | L890-L1000 HydrophobicContact CD2-CG 4.44Å; K893-L1000 HydrophobicContact CB-CD2 3.58Å; K893-L1000 HydrophobicContact CG-CD2 4.38Å; I897-L1000 HydrophobicContact CD1-CD2 3.86Å; S996-L1000 WeakPolarHBondContact O-CB 3.21Å; S996-L1000 PolarHBondContact O-N 3.07Å; I997-L1000 WeakPolarHBondContact O-CB 3.12Å; I997-L1000 PolarHBondContact O-N 3.36Å; I997-L1000 VanDerWaalsContact O-N 3.13Å; S998-L1000 PolarHBondContact O-N 3.1Å; L1000-Q1004 HydrophobicContact CD1-CG 4.18Å; L1000-Q1004 VanDerWaalsContact O-CG 3.28Å; L1000-Q1004 WeakPolarHBondContact O-CG 3.41Å; L1000-Q1004 PolarHBondContact O-N 2.74Å |
| 1001 | H | 90.5 | Very high | 91 | Very high | 65 Ų | 65 | 76.8 Ų | 76.8 | 30% | 0.301 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.1 | -50.1 | -178 | -78.2 | -141.6 | 0 | 0 | 0 | 111.2 | I997 S998 Q1004 N1005 | I997-H1001 PolarHBondContact O-CD2 3.34Å; I997-H1001 PolarHBondContact O-N 2.83Å; I997-H1001 VanDerWaalsContact O-N 3.09Å; S998-H1001 PolarHBondContact O-N 3.39Å; S998-H1001 VanDerWaalsContact O-N 3.08Å; H1001-Q1004 PolarHBondContact O-N 2.66Å; H1001-N1005 PolarHBondContact O-N 3.29Å |
| 1002 | E | 91.4 | Very high | 91 | Very high | 121 Ų | 121 | 75 Ų | 75 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -53.3 | -59.7 | 175.9 | -172.4 | 172.4 | -137.1 | 0 | 0 | 111 | S998 Q1004 N1005 D1006 | S998-E1002 PolarHBondContact O-N 3.19Å; E1002-Q1004 PolarHBondContact O-N 2.96Å; E1002-N1005 PolarHBondContact O-N 3.26Å; E1002-D1006 VanDerWaalsContact O-CG 3.27Å; E1002-D1006 PolarHBondContact O-N 2.92Å; E1002-D1006 VanDerWaalsContact O-N 3.11Å |
| 1003 | R | 91.5 | Very high | 91 | Very high | 146 Ų | 146 | 72 Ų | 72 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.4 | -12 | 178.8 | -68.3 | 175.5 | -174 | 131.9 | 7.1 | 115.6 | E999 K1007 | E999-R1003 VanDerWaalsContact O-CB 3.3Å; E999-R1003 WeakPolarHBondContact O-CB 3.19Å; E999-R1003 VanDerWaalsContact O-CD 3.27Å; E999-R1003 WeakPolarHBondContact O-CD 2.79Å; E999-R1003 WeakPolarHBondContact O-CG 3.48Å; E999-R1003 PolarHBondContact O-N 2.73Å; E999-R1003 IonicContact OE2-CZ 2.71Å; E999-R1003 IonicContact OE2-NH1 2.87Å; E999-R1003 PolarHBondContact OE2-NH1 3Å; E999-R1003 IonicContact OE2-NH2 2.77Å; E999-R1003 PolarHBondContact OE2-NH2 3.33Å; R1003-K1007 WeakPolarHBondContact O-CB 3.38Å |
| 1004 | Q | 90.2 | Very high | 91 | Very high | 37 Ų | 37 | 75 Ų | 75 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -99.7 | -32.1 | 172.9 | -64.7 | -54.8 | -94.7 | 0 | 0 | 112.7 | L886 Y889 L890 L1000 H1001 E1002 V1008 | L886-Q1004 HydrophobicContact CD1-CB 4Å; Y889-Q1004 HydrophobicContact CE1-CG 4.28Å; L890-Q1004 HydrophobicContact CD2-CB 3.98Å; L890-Q1004 HydrophobicContact CD2-CG 4Å; L1000-Q1004 HydrophobicContact CD1-CG 4.18Å; L1000-Q1004 VanDerWaalsContact O-CG 3.28Å; L1000-Q1004 WeakPolarHBondContact O-CG 3.41Å; L1000-Q1004 PolarHBondContact O-N 2.74Å; H1001-Q1004 PolarHBondContact O-N 2.66Å; E1002-Q1004 PolarHBondContact O-N 2.96Å; Q1004-V1008 WeakPolarHBondContact O-CG2 3.29Å; Q1004-V1008 PolarHBondContact O-N 2.99Å |
| 1005 | N | 89.9 | Confident | 90.9 | Very high | 67 Ų | 67 | 74 Ų | 74 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.2 | -57 | 172.9 | -71.8 | -0.7 | 0 | 0 | 0 | 110.4 | L886 H1001 E1002 K1007 V1008 E1009 | L886-N1005 WeakPolarHBondContact CD2-OD1 3.3Å; H1001-N1005 PolarHBondContact O-N 3.29Å; E1002-N1005 PolarHBondContact O-N 3.26Å; N1005-K1007 PolarHBondContact O-N 3.38Å; N1005-K1007 VanDerWaalsContact O-N 3.13Å; N1005-V1008 PolarHBondContact O-N 3.07Å; N1005-E1009 PolarHBondContact O-N 2.92Å |
| 1006 | D | 90.9 | Very high | 90.8 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.9 | -38.4 | -179.1 | -51.5 | -12.7 | 0 | 0 | 0 | 111.3 | E1002 S1010 | E1002-D1006 VanDerWaalsContact O-CG 3.27Å; E1002-D1006 PolarHBondContact O-N 2.92Å; E1002-D1006 VanDerWaalsContact O-N 3.11Å; D1006-S1010 WeakPolarHBondContact O-CB 3.45Å; D1006-S1010 PolarHBondContact O-N 3.22Å |
| 1007 | K | 90.8 | Very high | 90.8 | Very high | 125 Ų | 125 | 74.2 Ų | 74.2 | 54% | 0.543 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 177.5 | -179.1 | -179.9 | 176.2 | -175.4 | 0 | 111.8 | R1003 N1005 T1011 | R1003-K1007 WeakPolarHBondContact O-CB 3.38Å; N1005-K1007 PolarHBondContact O-N 3.38Å; N1005-K1007 VanDerWaalsContact O-N 3.13Å; K1007-T1011 WeakPolarHBondContact O-CG2 3.36Å; K1007-T1011 PolarHBondContact O-N 3.48Å; K1007-T1011 PolarHBondContact O-OG1 3.26Å |
| 1008 | V | 89.5 | Confident | 90.5 | Very high | 25 Ų | 25 | 77.6 Ų | 77.6 | 15% | 0.152 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.6 | -49.3 | -179.7 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | L886 Q1004 N1005 S1010 T1011 H1012 | L886-V1008 HydrophobicContact CD1-CG2 4.38Å; L886-V1008 HydrophobicContact CD2-CB 4.41Å; L886-V1008 HydrophobicContact CD2-CG2 4.15Å; Q1004-V1008 WeakPolarHBondContact O-CG2 3.29Å; Q1004-V1008 PolarHBondContact O-N 2.99Å; N1005-V1008 PolarHBondContact O-N 3.07Å; V1008-S1010 PolarHBondContact O-N 3.08Å; V1008-T1011 WeakPolarHBondContact CA-OG1 3.29Å; V1008-T1011 PolarHBondContact O-N 3.26Å; V1008-T1011 VanDerWaalsContact O-N 3.13Å; V1008-T1011 PolarHBondContact O-OG1 2.76Å; V1008-H1012 WeakPolarHBondContact CG1-CE1 3.37Å; V1008-H1012 PolarHBondContact O-CD2 3.43Å; V1008-H1012 PolarHBondContact O-N 3.04Å |
| 1009 | E | 89.9 | Confident | 90.4 | Very high | 140 Ų | 140 | 74.6 Ų | 74.6 | 65% | 0.654 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 178.5 | -66.7 | -178 | -170 | 0 | 0 | 111.7 | N1005 T1011 H1012 A1013 | N1005-E1009 PolarHBondContact O-N 2.92Å; E1009-T1011 VanDerWaalsContact C-N 3.33Å; E1009-T1011 PolarHBondContact O-N 3.47Å; E1009-H1012 PolarHBondContact O-N 3.09Å; E1009-H1012 VanDerWaalsContact O-N 3.17Å; E1009-A1013 PolarHBondContact O-N 3.14Å |
| 1010 | S | 89.5 | Confident | 90.2 | Very high | 82 Ų | 82 | 76.3 Ų | 76.3 | 57% | 0.573 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.4 | -40 | 174.1 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | D1006 V1008 R1014 | D1006-S1010 WeakPolarHBondContact O-CB 3.45Å; D1006-S1010 PolarHBondContact O-N 3.22Å; V1008-S1010 PolarHBondContact O-N 3.08Å; S1010-R1014 WeakPolarHBondContact O-CB 3.37Å; S1010-R1014 PolarHBondContact O-N 2.95Å; S1010-R1014 VanDerWaalsContact O-N 3.08Å |
| 1011 | T | 89.8 | Confident | 90 | Very high | 42 Ų | 42 | 79.5 Ų | 79.5 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 174.7 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | K1007 V1008 E1009 R1014 E1015 | K1007-T1011 WeakPolarHBondContact O-CG2 3.36Å; K1007-T1011 PolarHBondContact O-N 3.48Å; K1007-T1011 PolarHBondContact O-OG1 3.26Å; V1008-T1011 WeakPolarHBondContact CA-OG1 3.29Å; V1008-T1011 PolarHBondContact O-N 3.26Å; V1008-T1011 VanDerWaalsContact O-N 3.13Å; V1008-T1011 PolarHBondContact O-OG1 2.76Å; E1009-T1011 VanDerWaalsContact C-N 3.33Å; E1009-T1011 PolarHBondContact O-N 3.47Å; T1011-R1014 PolarHBondContact O-N 3.13Å; T1011-E1015 WeakPolarHBondContact O-CG 3.5Å; T1011-E1015 PolarHBondContact O-N 2.9Å |
| 1012 | H | 92.3 | Very high | 89.5 | Confident | 22 Ų | 22 | 79.2 Ų | 79.2 | 10% | 0.102 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 179.4 | -65.9 | -179.9 | 0 | 0 | 0 | 111.5 | H879 E882 V1008 E1009 N1016 | H879-H1012 VanDerWaalsContact CA-CE1 3.48Å; H879-H1012 WeakPolarHBondContact CA-CE1 3.41Å; H879-H1012 AromaticContact CD2-CD2 3.17Å; H879-H1012 PolarHBondContact CD2-CD2 2.79Å; H879-H1012 AromaticContact CD2-CG 3.54Å; H879-H1012 AromaticContact CD2-NE2 3.53Å; H879-H1012 AromaticContact CG-CD2 3.7Å; H879-H1012 AromaticContact CG-CG 3.59Å; H879-H1012 AromaticContact CG-ND1 3.8Å; H879-H1012 AromaticContact CG-NE2 3.96Å; H879-H1012 AromaticContact NE2-CD2 3.65Å; H879-H1012 AromaticContact NE2-CG 3.94Å; H879-H1012 PolarHBondContact O-CE1 3.33Å; E882-H1012 IonicContact OE2-CD2 2.74Å; E882-H1012 IonicContact OE2-CE1 2.87Å; E882-H1012 IonicContact OE2-NE2 2.67Å; E882-H1012 PolarHBondContact OE2-NE2 2.87Å; V1008-H1012 WeakPolarHBondContact CG1-CE1 3.37Å; V1008-H1012 PolarHBondContact O-CD2 3.43Å; V1008-H1012 PolarHBondContact O-N 3.04Å; E1009-H1012 PolarHBondContact O-N 3.09Å; E1009-H1012 VanDerWaalsContact O-N 3.17Å; H1012-N1016 WeakPolarHBondContact O-CB 3.35Å; H1012-N1016 PolarHBondContact O-N 2.76Å; H1012-N1016 PolarHBondContact O-ND2 3.41Å |
| 1013 | A | 90.8 | Very high | 89.1 | Confident | 62 Ų | 62 | 76.7 Ų | 76.7 | 51% | 0.512 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1009 N1016 K1017 | E1009-A1013 PolarHBondContact O-N 3.14Å; A1013-N1016 PolarHBondContact O-N 2.81Å; A1013-K1017 PolarHBondContact O-N 2.97Å |
| 1014 | R | 92 | Very high | 88.8 | Confident | 115 Ų | 115 | 74.7 Ų | 74.7 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 177.9 | -174.8 | -173 | 57.8 | 71.8 | 17.6 | 112.4 | S1010 T1011 N1016 K1017 E1018 | S1010-R1014 WeakPolarHBondContact O-CB 3.37Å; S1010-R1014 PolarHBondContact O-N 2.95Å; S1010-R1014 VanDerWaalsContact O-N 3.08Å; T1011-R1014 PolarHBondContact O-N 3.13Å; R1014-N1016 VanDerWaalsContact C-N 3.31Å; R1014-N1016 PolarHBondContact O-N 3.35Å; R1014-K1017 PolarHBondContact O-N 2.89Å; R1014-E1018 VanDerWaalsContact CG-OE1 3.29Å; R1014-E1018 WeakPolarHBondContact CG-OE1 3.39Å; R1014-E1018 IonicContact CZ-OE1 3.37Å; R1014-E1018 IonicContact CZ-OE2 2.76Å; R1014-E1018 IonicContact NH1-OE1 3.35Å; R1014-E1018 PolarHBondContact NH1-OE1 3.05Å; R1014-E1018 IonicContact NH1-OE2 2.81Å; R1014-E1018 PolarHBondContact NH1-OE2 3.38Å; R1014-E1018 WeakPolarHBondContact O-CG 3.5Å; R1014-E1018 PolarHBondContact O-N 3.05Å |
| 1015 | E | 89.7 | Confident | 88.3 | Confident | 36 Ų | 36 | 76.5 Ų | 76.5 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.1 | -34 | 179.2 | -72.1 | -167.7 | 136.5 | 0 | 0 | 112.7 | L875 R878 H879 T1011 F1019 | L875-E1015 HydrophobicContact CD1-CB 3.96Å; L875-E1015 WeakPolarHBondContact CD1-OE2 3.43Å; R878-E1015 IonicContact CZ-OE1 2.73Å; R878-E1015 VanDerWaalsContact CZ-OE1 3.26Å; R878-E1015 IonicContact CZ-OE2 2.77Å; R878-E1015 IonicContact NH1-OE1 2.7Å; R878-E1015 PolarHBondContact NH1-OE1 3.04Å; R878-E1015 IonicContact NH1-OE2 3.58Å; R878-E1015 PolarHBondContact NH1-OE2 3.14Å; R878-E1015 IonicContact NH2-OE1 2.79Å; R878-E1015 PolarHBondContact NH2-OE1 3.19Å; R878-E1015 IonicContact NH2-OE2 3.85Å; R878-E1015 PolarHBondContact NH2-OE2 3.39Å; R878-E1015 VanDerWaalsContact NH2-OE2 3.14Å; H879-E1015 IonicContact CD2-OE2 3.84Å; H879-E1015 IonicContact CE1-OE2 3.17Å; H879-E1015 IonicContact NE2-OE2 3.16Å; H879-E1015 PolarHBondContact NE2-OE2 2.76Å; T1011-E1015 WeakPolarHBondContact O-CG 3.5Å; T1011-E1015 PolarHBondContact O-N 2.9Å; E1015-F1019 WeakPolarHBondContact O-CB 3.4Å; E1015-F1019 PolarHBondContact O-N 2.84Å |
| 1016 | N | 90.2 | Very high | 87.4 | Confident | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69 | -35.8 | 175.5 | -80.3 | -56.2 | 0 | 0 | 0 | 112.4 | L875 H879 H1012 A1013 R1014 K1020 | L875-N1016 WeakPolarHBondContact CD2-OD1 3.36Å; H879-N1016 PolarHBondContact CE1-ND2 3.49Å; H879-N1016 PolarHBondContact ND1-ND2 3.37Å; H1012-N1016 WeakPolarHBondContact O-CB 3.35Å; H1012-N1016 PolarHBondContact O-N 2.76Å; H1012-N1016 PolarHBondContact O-ND2 3.41Å; A1013-N1016 PolarHBondContact O-N 2.81Å; R1014-N1016 VanDerWaalsContact C-N 3.31Å; R1014-N1016 PolarHBondContact O-N 3.35Å; N1016-K1020 PolarHBondContact O-N 2.84Å; N1016-K1020 VanDerWaalsContact O-N 3.08Å |
| 1017 | K | 91.6 | Very high | 86.9 | Confident | 132 Ų | 132 | 72.1 Ų | 72.1 | 57% | 0.574 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.3 | -50.9 | 171.5 | 178.5 | 174.9 | 173.1 | 175.7 | 0 | 111.2 | A1013 R1014 F1019 K1020 E1021 | A1013-K1017 PolarHBondContact O-N 2.97Å; R1014-K1017 PolarHBondContact O-N 2.89Å; K1017-F1019 PolarHBondContact O-N 3.08Å; K1017-K1020 PolarHBondContact O-N 3.35Å; K1017-K1020 VanDerWaalsContact O-N 3.07Å; K1017-E1021 WeakPolarHBondContact CE-OE1 3.49Å; K1017-E1021 IonicContact NZ-OE1 3.26Å; K1017-E1021 WeakPolarHBondContact O-CG 3.4Å; K1017-E1021 PolarHBondContact O-N 3.02Å |
| 1018 | E | 85.7 | Confident | 86.5 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.5 | -37.5 | 177 | -71.8 | 166.5 | 179.2 | 0 | 0 | 111.6 | R1014 S1022 | R1014-E1018 VanDerWaalsContact CG-OE1 3.29Å; R1014-E1018 WeakPolarHBondContact CG-OE1 3.39Å; R1014-E1018 IonicContact CZ-OE1 3.37Å; R1014-E1018 IonicContact CZ-OE2 2.76Å; R1014-E1018 IonicContact NH1-OE1 3.35Å; R1014-E1018 PolarHBondContact NH1-OE1 3.05Å; R1014-E1018 IonicContact NH1-OE2 2.81Å; R1014-E1018 PolarHBondContact NH1-OE2 3.38Å; R1014-E1018 WeakPolarHBondContact O-CG 3.5Å; R1014-E1018 PolarHBondContact O-N 3.05Å; E1018-S1022 WeakPolarHBondContact O-CB 3.38Å; E1018-S1022 PolarHBondContact O-N 2.77Å |
| 1019 | F | 88.4 | Confident | 85.9 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 8% | 0.075 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 173.1 | 173.3 | -109 | 0 | 0 | 0 | 113.4 | F868 I871 E872 L875 E1015 K1017 E1021 S1022 R1023 | F868-F1019 HydrophobicContact CB-CE2 4.37Å; F868-F1019 HydrophobicContact CB-CZ 4.39Å; F868-F1019 AromaticContact CD1-CE2 3.98Å; F868-F1019 HydrophobicContact CD1-CE2 3.98Å; I871-F1019 HydrophobicContact CB-CD2 4.34Å; I871-F1019 HydrophobicContact CB-CE2 3.86Å; I871-F1019 HydrophobicContact CG2-CD2 3.6Å; I871-F1019 HydrophobicContact CG2-CE2 3.64Å; E872-F1019 HydrophobicContact CB-CE1 3.93Å; E872-F1019 HydrophobicContact CB-CE2 4.43Å; E872-F1019 HydrophobicContact CB-CZ 3.63Å; E872-F1019 HydrophobicContact CG-CE1 3.82Å; E872-F1019 HydrophobicContact CG-CZ 4.03Å; L875-F1019 HydrophobicContact CD2-CB 3.78Å; L875-F1019 HydrophobicContact CD2-CD1 4.42Å; L875-F1019 HydrophobicContact CD2-CG 4.07Å; E1015-F1019 WeakPolarHBondContact O-CB 3.4Å; E1015-F1019 PolarHBondContact O-N 2.84Å; K1017-F1019 PolarHBondContact O-N 3.08Å; F1019-E1021 VanDerWaalsContact C-N 3.35Å; F1019-E1021 PolarHBondContact O-N 3.49Å; F1019-S1022 PolarHBondContact O-N 2.88Å; F1019-R1023 WeakPolarHBondContact O-CB 3.36Å; F1019-R1023 PolarHBondContact O-N 3.17Å |
| 1020 | K | 89.1 | Confident | 85.3 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.8 | -77.4 | -165.7 | 179 | -168.8 | 0 | 111.6 | D549 N1016 K1017 R1023 L1024 | D549-K1020 PolarHBondContact O-NZ 3.06Å; N1016-K1020 PolarHBondContact O-N 2.84Å; N1016-K1020 VanDerWaalsContact O-N 3.08Å; K1017-K1020 PolarHBondContact O-N 3.35Å; K1017-K1020 VanDerWaalsContact O-N 3.07Å; K1020-R1023 PolarHBondContact O-N 2.96Å; K1020-L1024 PolarHBondContact O-N 2.94Å; K1020-L1024 VanDerWaalsContact O-N 3.11Å |
| 1021 | E | 86.8 | Confident | 85 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 178 | -69.7 | 173.4 | 170.2 | 0 | 0 | 111.4 | K1017 F1019 R1023 L1024 E1025 | K1017-E1021 WeakPolarHBondContact CE-OE1 3.49Å; K1017-E1021 IonicContact NZ-OE1 3.26Å; K1017-E1021 WeakPolarHBondContact O-CG 3.4Å; K1017-E1021 PolarHBondContact O-N 3.02Å; F1019-E1021 VanDerWaalsContact C-N 3.35Å; F1019-E1021 PolarHBondContact O-N 3.49Å; E1021-R1023 VanDerWaalsContact C-N 3.32Å; E1021-R1023 PolarHBondContact O-N 3.02Å; E1021-L1024 PolarHBondContact O-N 3.22Å; E1021-E1025 PolarHBondContact O-N 3.05Å |
| 1022 | S | 80.3 | Confident | 84.5 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | F868 E1018 F1019 G1026 | F868-S1022 WeakPolarHBondContact CZ-O 3.44Å; E1018-S1022 WeakPolarHBondContact O-CB 3.38Å; E1018-S1022 PolarHBondContact O-N 2.77Å; F1019-S1022 PolarHBondContact O-N 2.88Å; S1022-G1026 PolarHBondContact O-N 3.33Å |
| 1023 | R | 81.4 | Confident | 83.8 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 26% | 0.26 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 176.7 | -169.7 | 173 | 80.5 | -180 | 7 | 112 | F868 E872 F1019 K1020 E1021 V1027 | F868-R1023 HydrophobicContact CB-CG 4.12Å; F868-R1023 HydrophobicContact CD1-CB 4.13Å; F868-R1023 HydrophobicContact CD1-CG 4.21Å; F868-R1023 HydrophobicContact CD2-CG 3.92Å; F868-R1023 HydrophobicContact CE1-CB 4.28Å; F868-R1023 HydrophobicContact CE2-CG 4.37Å; F868-R1023 HydrophobicContact CG-CB 4.27Å; F868-R1023 HydrophobicContact CG-CG 3.83Å; E872-R1023 IonicContact OE1-NH1 3.22Å; E872-R1023 PolarHBondContact OE1-NH1 3.18Å; F1019-R1023 WeakPolarHBondContact O-CB 3.36Å; F1019-R1023 PolarHBondContact O-N 3.17Å; K1020-R1023 PolarHBondContact O-N 2.96Å; E1021-R1023 VanDerWaalsContact C-N 3.32Å; E1021-R1023 PolarHBondContact O-N 3.02Å; R1023-V1027 WeakPolarHBondContact O-CG2 3.41Å; R1023-V1027 PolarHBondContact O-N 2.93Å |
| 1024 | L | 86 | Confident | 83.5 | Confident | 104 Ų | 104 | 65 Ų | 65 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 179.3 | -177.3 | 62.4 | 0 | 0 | 0 | 111.8 | K1020 E1021 G1026 V1027 K1028 | K1020-L1024 PolarHBondContact O-N 2.94Å; K1020-L1024 VanDerWaalsContact O-N 3.11Å; E1021-L1024 PolarHBondContact O-N 3.22Å; L1024-G1026 VanDerWaalsContact C-N 3.33Å; L1024-G1026 PolarHBondContact O-N 3.36Å; L1024-V1027 PolarHBondContact O-N 3.17Å; L1024-K1028 WeakPolarHBondContact O-CB 3.29Å; L1024-K1028 PolarHBondContact O-N 3Å |
| 1025 | E | 80.2 | Confident | 83.1 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 178.6 | -168.6 | 59.7 | -145.7 | 0 | 0 | 111.5 | E1021 V1027 K1028 I1029 | E1021-E1025 PolarHBondContact O-N 3.05Å; E1025-V1027 PolarHBondContact O-N 2.75Å; E1025-K1028 PolarHBondContact O-N 3.13Å; E1025-K1028 IonicContact OE1-NZ 3.85Å; E1025-K1028 PolarHBondContact OE1-NZ 3.19Å; E1025-K1028 WeakPolarHBondContact OE2-CD 3.34Å; E1025-K1028 IonicContact OE2-NZ 3.54Å; E1025-K1028 PolarHBondContact OE2-NZ 2.94Å; E1025-I1029 HydrophobicContact CG-CD1 3.92Å; E1025-I1029 HydrophobicContact CG-CG1 4.32Å; E1025-I1029 WeakPolarHBondContact O-CD1 3.48Å; E1025-I1029 VanDerWaalsContact O-CG1 3.24Å; E1025-I1029 WeakPolarHBondContact O-CG1 3.47Å; E1025-I1029 PolarHBondContact O-N 3.45Å |
| 1026 | G | 70 | Confident | 82.8 | Confident | 14 Ų | 14 | 65 Ų | 65 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1022 L1024 I1029 L1030 | S1022-G1026 PolarHBondContact O-N 3.33Å; L1024-G1026 VanDerWaalsContact C-N 3.33Å; L1024-G1026 PolarHBondContact O-N 3.36Å; G1026-I1029 PolarHBondContact O-N 3.22Å; G1026-L1030 PolarHBondContact O-N 3.13Å; G1026-L1030 VanDerWaalsContact O-N 3.1Å |
| 1027 | V | 81.2 | Confident | 82.4 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111 | L864 R1023 L1024 E1025 L1030 S1031 | L864-V1027 HydrophobicContact CD2-CG2 4.01Å; R1023-V1027 WeakPolarHBondContact O-CG2 3.41Å; R1023-V1027 PolarHBondContact O-N 2.93Å; L1024-V1027 PolarHBondContact O-N 3.17Å; E1025-V1027 PolarHBondContact O-N 2.75Å; V1027-L1030 PolarHBondContact O-N 2.9Å; V1027-S1031 WeakPolarHBondContact O-CB 3.27Å; V1027-S1031 PolarHBondContact O-N 3.39Å |
| 1028 | K | 82.5 | Confident | 82.3 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 47% | 0.47 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 177.2 | 174.9 | 177 | 153.1 | -135.5 | 0 | 112.6 | L1024 E1025 N1032 | L1024-K1028 WeakPolarHBondContact O-CB 3.29Å; L1024-K1028 PolarHBondContact O-N 3Å; E1025-K1028 PolarHBondContact O-N 3.13Å; E1025-K1028 IonicContact OE1-NZ 3.85Å; E1025-K1028 PolarHBondContact OE1-NZ 3.19Å; E1025-K1028 WeakPolarHBondContact OE2-CD 3.34Å; E1025-K1028 IonicContact OE2-NZ 3.54Å; E1025-K1028 PolarHBondContact OE2-NZ 2.94Å; K1028-N1032 WeakPolarHBondContact O-CB 3.44Å; K1028-N1032 PolarHBondContact O-N 3.03Å; K1028-N1032 PolarHBondContact O-ND2 3.19Å |
| 1029 | I | 77.6 | Confident | 82.4 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 22% | 0.221 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 174.3 | -69 | 159.8 | 0 | 0 | 0 | 110.5 | L633 E1025 G1026 N1032 F1033 | L633-I1029 HydrophobicContact CD1-CD1 3.91Å; L633-I1029 HydrophobicContact CD2-CD1 3.92Å; L633-I1029 HydrophobicContact CD2-CG1 4.32Å; L633-I1029 HydrophobicContact CG-CD1 4.25Å; E1025-I1029 HydrophobicContact CG-CD1 3.92Å; E1025-I1029 HydrophobicContact CG-CG1 4.32Å; E1025-I1029 WeakPolarHBondContact O-CD1 3.48Å; E1025-I1029 VanDerWaalsContact O-CG1 3.24Å; E1025-I1029 WeakPolarHBondContact O-CG1 3.47Å; E1025-I1029 PolarHBondContact O-N 3.45Å; G1026-I1029 PolarHBondContact O-N 3.22Å; I1029-N1032 PolarHBondContact O-N 3.35Å; I1029-F1033 WeakPolarHBondContact O-CB 3.4Å; I1029-F1033 PolarHBondContact O-N 3Å; I1029-F1033 VanDerWaalsContact O-N 3.1Å |
| 1030 | L | 77.2 | Confident | 82.2 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | -180 | 179.3 | 58 | 0 | 0 | 0 | 111.5 | M629 E860 M861 L864 G1026 V1027 N1032 F1033 Q1034 | M629-L1030 HydrophobicContact CE-CD1 3.41Å; M629-L1030 VanDerWaalsContact CE-CD1 3.41Å; M629-L1030 HydrophobicContact SD-CD1 3.57Å; M629-L1030 VanDerWaalsContact SD-CD1 3.57Å; E860-L1030 HydrophobicContact CB-CD1 4.17Å; E860-L1030 HydrophobicContact CB-CD2 4.38Å; M861-L1030 HydrophobicContact CE-CB 4.4Å; M861-L1030 HydrophobicContact CE-CD2 3.96Å; M861-L1030 HydrophobicContact CE-CG 3.89Å; M861-L1030 HydrophobicContact CG-CD2 4.08Å; M861-L1030 HydrophobicContact SD-CD2 3.57Å; M861-L1030 VanDerWaalsContact SD-CD2 3.57Å; M861-L1030 HydrophobicContact SD-CG 4.19Å; L864-L1030 HydrophobicContact CB-CD2 3.94Å; L864-L1030 HydrophobicContact CD2-CB 3.99Å; L864-L1030 HydrophobicContact CD2-CD2 3.63Å; L864-L1030 HydrophobicContact CD2-CG 4.46Å; L864-L1030 HydrophobicContact CG-CD2 4.36Å; G1026-L1030 PolarHBondContact O-N 3.13Å; G1026-L1030 VanDerWaalsContact O-N 3.1Å; V1027-L1030 PolarHBondContact O-N 2.9Å; L1030-N1032 PolarHBondContact O-N 3.16Å; L1030-F1033 WeakPolarHBondContact O-CB 3.36Å; L1030-F1033 PolarHBondContact O-N 3.48Å; L1030-F1033 VanDerWaalsContact O-N 3.12Å; L1030-Q1034 HydrophobicContact CD1-CG 4Å; L1030-Q1034 HydrophobicContact CG-CG 4.34Å; L1030-Q1034 WeakPolarHBondContact O-CG 3.07Å; L1030-Q1034 PolarHBondContact O-N 2.9Å |
| 1031 | S | 81.9 | Confident | 82.1 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 42% | 0.42 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | V1027 F1033 Q1034 E1035 | V1027-S1031 WeakPolarHBondContact O-CB 3.27Å; V1027-S1031 PolarHBondContact O-N 3.39Å; S1031-F1033 PolarHBondContact O-N 3.06Å; S1031-Q1034 PolarHBondContact O-N 2.95Å; S1031-E1035 VanDerWaalsContact O-CB 3.26Å; S1031-E1035 WeakPolarHBondContact O-CB 3.24Å; S1031-E1035 PolarHBondContact O-N 2.93Å |
| 1032 | N | 78.9 | Confident | 82.3 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.6 | -35.1 | 175.8 | -83.8 | -58.1 | 0 | 0 | 0 | 113.1 | K1028 I1029 L1030 K1036 | K1028-N1032 WeakPolarHBondContact O-CB 3.44Å; K1028-N1032 PolarHBondContact O-N 3.03Å; K1028-N1032 PolarHBondContact O-ND2 3.19Å; I1029-N1032 PolarHBondContact O-N 3.35Å; L1030-N1032 PolarHBondContact O-N 3.16Å; N1032-K1036 WeakPolarHBondContact O-CB 2.79Å; N1032-K1036 PolarHBondContact O-N 2.81Å |
| 1033 | F | 78.1 | Confident | 82.7 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76 | -41.5 | 177.6 | 174.5 | -96.3 | 0 | 0 | 0 | 113.1 | L624 M629 I1029 L1030 S1031 E1035 K1036 Q1037 | L624-F1033 HydrophobicContact CB-CE2 3.81Å; L624-F1033 HydrophobicContact CB-CZ 3.9Å; L624-F1033 HydrophobicContact CD1-CE2 4.06Å; M629-F1033 HydrophobicContact CB-CD2 4.42Å; M629-F1033 HydrophobicContact CB-CG 4.49Å; M629-F1033 HydrophobicContact CE-CD1 3.43Å; M629-F1033 VanDerWaalsContact CE-CD1 3.43Å; M629-F1033 HydrophobicContact CE-CE1 3.22Å; M629-F1033 HydrophobicContact CE-CG 4.41Å; M629-F1033 HydrophobicContact CE-CZ 4.11Å; M629-F1033 HydrophobicContact CG-CB 4.23Å; M629-F1033 HydrophobicContact CG-CD1 3.54Å; M629-F1033 HydrophobicContact CG-CD2 3.69Å; M629-F1033 HydrophobicContact CG-CE1 3.58Å; M629-F1033 HydrophobicContact CG-CE2 3.75Å; M629-F1033 HydrophobicContact CG-CG 3.57Å; M629-F1033 HydrophobicContact CG-CZ 3.68Å; M629-F1033 HydrophobicContact SD-CD1 3.9Å; M629-F1033 HydrophobicContact SD-CE1 4.07Å; M629-F1033 HydrophobicContact SD-CG 4.35Å; I1029-F1033 WeakPolarHBondContact O-CB 3.4Å; I1029-F1033 PolarHBondContact O-N 3Å; I1029-F1033 VanDerWaalsContact O-N 3.1Å; L1030-F1033 WeakPolarHBondContact O-CB 3.36Å; L1030-F1033 PolarHBondContact O-N 3.48Å; L1030-F1033 VanDerWaalsContact O-N 3.12Å; S1031-F1033 PolarHBondContact O-N 3.06Å; F1033-E1035 VanDerWaalsContact C-N 3.33Å; F1033-K1036 WeakPolarHBondContact O-CB 3.4Å; F1033-K1036 PolarHBondContact O-N 2.92Å; F1033-Q1037 HydrophobicContact CD1-CG 4.4Å; F1033-Q1037 HydrophobicContact CE1-CG 4.1Å; F1033-Q1037 HydrophobicContact CZ-CG 4.32Å; F1033-Q1037 PolarHBondContact O-N 3.31Å |
| 1034 | Q | 84.3 | Confident | 83 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 175 | -71.5 | -175 | -13 | 0 | 0 | 111.2 | H857 E860 L1030 S1031 K1036 Q1037 R1038 | H857-Q1034 VanDerWaalsContact CA-NE2 3.32Å; H857-Q1034 HydrophobicContact CB-CG 4.34Å; H857-Q1034 PolarHBondContact CE1-O 3.27Å; H857-Q1034 VanDerWaalsContact CE1-O 3.23Å; H857-Q1034 PolarHBondContact O-NE2 3.5Å; E860-Q1034 PolarHBondContact OE2-NE2 3.12Å; L1030-Q1034 HydrophobicContact CD1-CG 4Å; L1030-Q1034 HydrophobicContact CG-CG 4.34Å; L1030-Q1034 WeakPolarHBondContact O-CG 3.07Å; L1030-Q1034 PolarHBondContact O-N 2.9Å; S1031-Q1034 PolarHBondContact O-N 2.95Å; Q1034-K1036 VanDerWaalsContact C-N 3.34Å; Q1034-K1036 PolarHBondContact O-N 3.12Å; Q1034-Q1037 WeakPolarHBondContact O-CB 3.42Å; Q1034-Q1037 PolarHBondContact O-N 3.39Å; Q1034-R1038 PolarHBondContact O-N 3.39Å |
| 1035 | E | 84 | Confident | 83.2 | Confident | 61 Ų | 61 | 57.2 Ų | 57.2 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 173.5 | -168.3 | 28.9 | -110.2 | 0 | 0 | 111.2 | S1031 F1033 R1038 R1039 | S1031-E1035 VanDerWaalsContact O-CB 3.26Å; S1031-E1035 WeakPolarHBondContact O-CB 3.24Å; S1031-E1035 PolarHBondContact O-N 2.93Å; F1033-E1035 VanDerWaalsContact C-N 3.33Å; E1035-R1038 PolarHBondContact O-N 3.22Å; E1035-R1038 IonicContact OE2-CZ 3.14Å; E1035-R1038 IonicContact OE2-NH1 2.76Å; E1035-R1038 PolarHBondContact OE2-NH1 3.12Å; E1035-R1038 IonicContact OE2-NH2 3.39Å; E1035-R1039 PolarHBondContact O-N 2.94Å; E1035-R1039 PolarHBondContact O-NE 3.2Å; E1035-R1039 WeakPolarHBondContact OE1-CD 3.38Å; E1035-R1039 WeakPolarHBondContact OE1-CG 3.49Å; E1035-R1039 IonicContact OE1-CZ 2.71Å; E1035-R1039 IonicContact OE1-NE 2.74Å; E1035-R1039 PolarHBondContact OE1-NE 3.21Å |
| 1036 | K | 84.4 | Confident | 83.8 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 39% | 0.391 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 170.7 | -178.4 | -174.5 | 173.7 | -175.1 | 0 | 112.1 | N1032 F1033 Q1034 R1038 R1039 D1040 | N1032-K1036 WeakPolarHBondContact O-CB 2.79Å; N1032-K1036 PolarHBondContact O-N 2.81Å; F1033-K1036 WeakPolarHBondContact O-CB 3.4Å; F1033-K1036 PolarHBondContact O-N 2.92Å; Q1034-K1036 VanDerWaalsContact C-N 3.34Å; Q1034-K1036 PolarHBondContact O-N 3.12Å; K1036-R1038 VanDerWaalsContact C-N 3.3Å; K1036-R1038 PolarHBondContact O-N 3.38Å; K1036-R1039 PolarHBondContact O-N 3.12Å; K1036-D1040 WeakPolarHBondContact CE-OD2 3.28Å; K1036-D1040 PolarHBondContact O-N 3.11Å |
| 1037 | Q | 81.8 | Confident | 84.8 | Confident | 11 Ų | 11 | 65 Ų | 65 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -42.1 | 177.1 | -72.9 | -172.2 | -2.7 | 0 | 0 | 111.6 | L853 H857 F1033 Q1034 D1040 M1041 | L853-Q1037 HydrophobicContact CD1-CB 4.2Å; L853-Q1037 VanDerWaalsContact CD1-OE1 3.27Å; H857-Q1037 PolarHBondContact NE2-OE1 3.13Å; F1033-Q1037 HydrophobicContact CD1-CG 4.4Å; F1033-Q1037 HydrophobicContact CE1-CG 4.1Å; F1033-Q1037 HydrophobicContact CZ-CG 4.32Å; F1033-Q1037 PolarHBondContact O-N 3.31Å; Q1034-Q1037 WeakPolarHBondContact O-CB 3.42Å; Q1034-Q1037 PolarHBondContact O-N 3.39Å; Q1037-D1040 PolarHBondContact O-N 3.04Å; Q1037-M1041 VanDerWaalsContact O-CB 3.26Å; Q1037-M1041 WeakPolarHBondContact O-CB 3.44Å; Q1037-M1041 PolarHBondContact O-N 2.79Å |
| 1038 | R | 88.1 | Confident | 85.2 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 177.3 | -159 | -174.7 | -55.6 | 131.4 | 14.5 | 111.3 | L853 Q1034 E1035 K1036 D1040 M1041 L1042 | L853-R1038 HydrophobicContact CD2-CB 4.36Å; L853-R1038 HydrophobicContact CD2-CG 4.4Å; Q1034-R1038 PolarHBondContact O-N 3.39Å; E1035-R1038 PolarHBondContact O-N 3.22Å; E1035-R1038 IonicContact OE2-CZ 3.14Å; E1035-R1038 IonicContact OE2-NH1 2.76Å; E1035-R1038 PolarHBondContact OE2-NH1 3.12Å; E1035-R1038 IonicContact OE2-NH2 3.39Å; K1036-R1038 VanDerWaalsContact C-N 3.3Å; K1036-R1038 PolarHBondContact O-N 3.38Å; R1038-D1040 PolarHBondContact O-N 3.03Å; R1038-M1041 HydrophobicContact CG-CE 4.2Å; R1038-M1041 PolarHBondContact O-N 2.7Å; R1038-L1042 HydrophobicContact CG-CD1 4.36Å; R1038-L1042 VanDerWaalsContact O-CG 3.31Å; R1038-L1042 WeakPolarHBondContact O-CG 3.46Å; R1038-L1042 PolarHBondContact O-N 2.79Å |
| 1039 | R | 87.6 | Confident | 85.7 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 175.1 | -79.2 | 176 | -81.5 | 132.4 | -6.1 | 113.5 | E1035 K1036 K1043 | E1035-R1039 PolarHBondContact O-N 2.94Å; E1035-R1039 PolarHBondContact O-NE 3.2Å; E1035-R1039 WeakPolarHBondContact OE1-CD 3.38Å; E1035-R1039 WeakPolarHBondContact OE1-CG 3.49Å; E1035-R1039 IonicContact OE1-CZ 2.71Å; E1035-R1039 IonicContact OE1-NE 2.74Å; E1035-R1039 PolarHBondContact OE1-NE 3.21Å; K1036-R1039 PolarHBondContact O-N 3.12Å; R1039-K1043 WeakPolarHBondContact O-CD 3.47Å; R1039-K1043 WeakPolarHBondContact O-CE 3.38Å; R1039-K1043 WeakPolarHBondContact O-CG 3.36Å; R1039-K1043 PolarHBondContact O-N 3.11Å |
| 1040 | D | 84.1 | Confident | 86.4 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -78 | -30.9 | 178.5 | -69 | -20.7 | 0 | 0 | 0 | 112.2 | K1036 Q1037 R1038 K1043 Q1044 | K1036-D1040 WeakPolarHBondContact CE-OD2 3.28Å; K1036-D1040 PolarHBondContact O-N 3.11Å; Q1037-D1040 PolarHBondContact O-N 3.04Å; R1038-D1040 PolarHBondContact O-N 3.03Å; D1040-K1043 IonicContact OD1-NZ 3.66Å; D1040-K1043 PolarHBondContact OD1-NZ 2.73Å; D1040-Q1044 PolarHBondContact O-N 3.09Å; D1040-Q1044 VanDerWaalsContact O-N 3.14Å |
| 1041 | M | 88.9 | Confident | 87.1 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.03 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -50 | 169 | 179.3 | -86.3 | -73.5 | 0 | 0 | 111.9 | F621 I850 L853 Q1037 R1038 K1043 Q1044 H1045 | F621-M1041 HydrophobicContact CE2-CB 3.75Å; F621-M1041 HydrophobicContact CE2-CG 3.93Å; F621-M1041 HydrophobicContact CZ-CB 4.11Å; F621-M1041 HydrophobicContact CZ-CG 4.29Å; I850-M1041 HydrophobicContact CG1-CE 3.8Å; I850-M1041 HydrophobicContact CG1-SD 4.12Å; L853-M1041 HydrophobicContact CD2-CB 4.06Å; L853-M1041 HydrophobicContact CD2-CE 3.71Å; L853-M1041 HydrophobicContact CD2-CG 4.14Å; Q1037-M1041 VanDerWaalsContact O-CB 3.26Å; Q1037-M1041 WeakPolarHBondContact O-CB 3.44Å; Q1037-M1041 PolarHBondContact O-N 2.79Å; R1038-M1041 HydrophobicContact CG-CE 4.2Å; R1038-M1041 PolarHBondContact O-N 2.7Å; M1041-K1043 VanDerWaalsContact C-N 3.33Å; M1041-K1043 PolarHBondContact O-N 3.12Å; M1041-Q1044 WeakPolarHBondContact O-CA 3.43Å; M1041-Q1044 WeakPolarHBondContact O-CB 3.27Å; M1041-Q1044 PolarHBondContact O-N 3.39Å; M1041-H1045 PolarHBondContact O-N 3.43Å; M1041-H1045 PolarHBondContact SD-CE1 3.46Å; M1041-H1045 PolarHBondContact SD-ND1 3.29Å; M1041-H1045 VanDerWaalsContact SD-ND1 3.45Å |
| 1042 | L | 89.7 | Confident | 87.7 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 179.5 | -71.2 | 168.4 | 0 | 0 | 0 | 111.9 | R1038 Q1044 H1045 Q1046 | R1038-L1042 HydrophobicContact CG-CD1 4.36Å; R1038-L1042 VanDerWaalsContact O-CG 3.31Å; R1038-L1042 WeakPolarHBondContact O-CG 3.46Å; R1038-L1042 PolarHBondContact O-N 2.79Å; L1042-Q1044 VanDerWaalsContact C-N 3.29Å; L1042-Q1044 PolarHBondContact O-N 3.12Å; L1042-H1045 PolarHBondContact O-N 3.18Å; L1042-Q1046 PolarHBondContact O-N 3.48Å |
| 1043 | K | 89.3 | Confident | 88.4 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 171.7 | -69.6 | 166.8 | -156.8 | 161 | 0 | 113 | R1039 D1040 M1041 R1047 | R1039-K1043 WeakPolarHBondContact O-CD 3.47Å; R1039-K1043 WeakPolarHBondContact O-CE 3.38Å; R1039-K1043 WeakPolarHBondContact O-CG 3.36Å; R1039-K1043 PolarHBondContact O-N 3.11Å; D1040-K1043 IonicContact OD1-NZ 3.66Å; D1040-K1043 PolarHBondContact OD1-NZ 2.73Å; M1041-K1043 VanDerWaalsContact C-N 3.33Å; M1041-K1043 PolarHBondContact O-N 3.12Å; K1043-R1047 WeakPolarHBondContact O-CG 3.46Å; K1043-R1047 PolarHBondContact O-N 3.14Å |
| 1044 | Q | 86.4 | Confident | 89.1 | Confident | 50 Ų | 50 | 70.3 Ų | 70.3 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.6 | -44.9 | 174.3 | -171.4 | 179.7 | 4.5 | 0 | 0 | 110.7 | D1040 M1041 L1042 Q1046 R1047 Q1048 | D1040-Q1044 PolarHBondContact O-N 3.09Å; D1040-Q1044 VanDerWaalsContact O-N 3.14Å; M1041-Q1044 WeakPolarHBondContact O-CA 3.43Å; M1041-Q1044 WeakPolarHBondContact O-CB 3.27Å; M1041-Q1044 PolarHBondContact O-N 3.39Å; L1042-Q1044 VanDerWaalsContact C-N 3.29Å; L1042-Q1044 PolarHBondContact O-N 3.12Å; Q1044-Q1046 PolarHBondContact O-N 3.12Å; Q1044-R1047 PolarHBondContact O-N 3.02Å; Q1044-Q1048 WeakPolarHBondContact O-CG 3.12Å; Q1044-Q1048 PolarHBondContact O-N 3.1Å |
| 1045 | H | 92.2 | Very high | 89.6 | Confident | 13 Ų | 13 | 75.2 Ų | 75.2 | 6% | 0.06 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.9 | -73.5 | -170.6 | 0 | 0 | 0 | 112.4 | Q846 M1041 L1042 Q1048 R1049 | Q846-H1045 VanDerWaalsContact CA-CE1 3.46Å; Q846-H1045 WeakPolarHBondContact CA-CE1 2.8Å; Q846-H1045 HydrophobicContact CG-CB 4.28Å; Q846-H1045 PolarHBondContact NE2-O 2.94Å; Q846-H1045 PolarHBondContact O-CE1 3.05Å; M1041-H1045 PolarHBondContact O-N 3.43Å; M1041-H1045 PolarHBondContact SD-CE1 3.46Å; M1041-H1045 PolarHBondContact SD-ND1 3.29Å; M1041-H1045 VanDerWaalsContact SD-ND1 3.45Å; L1042-H1045 PolarHBondContact O-N 3.18Å; H1045-Q1048 PolarHBondContact O-N 3.21Å; H1045-R1049 WeakPolarHBondContact O-CB 3.3Å; H1045-R1049 PolarHBondContact O-N 3.45Å |
| 1046 | Q | 91.6 | Very high | 90 | Very high | 87 Ų | 87 | 72.9 Ų | 72.9 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -46 | 176 | -179.7 | 58.3 | 19.5 | 0 | 0 | 112.1 | L1042 Q1044 Q1048 R1049 E1050 | L1042-Q1046 PolarHBondContact O-N 3.48Å; Q1044-Q1046 PolarHBondContact O-N 3.12Å; Q1046-Q1048 PolarHBondContact O-N 3.25Å; Q1046-R1049 WeakPolarHBondContact O-CB 3.48Å; Q1046-R1049 PolarHBondContact O-N 2.85Å; Q1046-E1050 WeakPolarHBondContact CG-OE1 3.32Å; Q1046-E1050 PolarHBondContact NE2-OE1 2.91Å; Q1046-E1050 WeakPolarHBondContact O-CG 3.17Å; Q1046-E1050 PolarHBondContact O-N 3.25Å |
| 1047 | R | 90.8 | Very high | 90.5 | Very high | 164 Ų | 164 | 74.2 Ų | 74.2 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 175.4 | -70.7 | 171.7 | -175 | 176.5 | 2.3 | 112.3 | K1043 Q1044 R1049 E1050 D1051 | K1043-R1047 WeakPolarHBondContact O-CG 3.46Å; K1043-R1047 PolarHBondContact O-N 3.14Å; Q1044-R1047 PolarHBondContact O-N 3.02Å; R1047-R1049 PolarHBondContact O-N 2.97Å; R1047-E1050 PolarHBondContact O-N 3.23Å; R1047-D1051 WeakPolarHBondContact O-CB 3.46Å; R1047-D1051 VanDerWaalsContact O-CG 3.25Å; R1047-D1051 PolarHBondContact O-N 3.28Å |
| 1048 | Q | 90 | Very high | 91 | Very high | 52 Ų | 52 | 76.3 Ų | 76.3 | 24% | 0.243 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -29.8 | 177.9 | -70.2 | -179.1 | -76.3 | 0 | 0 | 112.6 | L842 Q1044 H1045 Q1046 L1052 | L842-Q1048 HydrophobicContact CD1-CB 4.01Å; Q1044-Q1048 WeakPolarHBondContact O-CG 3.12Å; Q1044-Q1048 PolarHBondContact O-N 3.1Å; H1045-Q1048 PolarHBondContact O-N 3.21Å; Q1046-Q1048 PolarHBondContact O-N 3.25Å; Q1048-L1052 WeakPolarHBondContact O-CB 3.36Å; Q1048-L1052 PolarHBondContact O-N 2.97Å |
| 1049 | R | 93.1 | Very high | 91.3 | Very high | 104 Ų | 104 | 73.6 Ų | 73.6 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.3 | -50.7 | 172.2 | 178.2 | -179.1 | 172.8 | -174 | -5.6 | 111.4 | L842 H1045 Q1046 R1047 D1051 L1052 E1053 | L842-R1049 HydrophobicContact CD2-CB 4.28Å; H1045-R1049 WeakPolarHBondContact O-CB 3.3Å; H1045-R1049 PolarHBondContact O-N 3.45Å; Q1046-R1049 WeakPolarHBondContact O-CB 3.48Å; Q1046-R1049 PolarHBondContact O-N 2.85Å; R1047-R1049 PolarHBondContact O-N 2.97Å; R1049-D1051 VanDerWaalsContact C-N 3.33Å; R1049-D1051 PolarHBondContact O-N 2.82Å; R1049-L1052 PolarHBondContact O-N 3.21Å; R1049-L1052 VanDerWaalsContact O-N 3.08Å; R1049-E1053 HydrophobicContact CG-CG 4.4Å; R1049-E1053 WeakPolarHBondContact CG-OE1 3.49Å; R1049-E1053 IonicContact CZ-OE1 2.64Å; R1049-E1053 IonicContact NE-OE1 2.64Å; R1049-E1053 PolarHBondContact NE-OE1 3.03Å; R1049-E1053 IonicContact NH2-OE1 2.98Å; R1049-E1053 PolarHBondContact NH2-OE1 3.39Å; R1049-E1053 VanDerWaalsContact NH2-OE1 3.12Å; R1049-E1053 WeakPolarHBondContact O-CG 3.32Å; R1049-E1053 PolarHBondContact O-N 3.08Å |
| 1050 | E | 92.8 | Very high | 91.6 | Very high | 83 Ų | 83 | 73 Ų | 73 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.4 | -45.6 | 175.7 | -70.9 | 165.4 | -175.1 | 0 | 0 | 111.6 | Q1046 R1047 L1052 E1053 N1054 | Q1046-E1050 WeakPolarHBondContact CG-OE1 3.32Å; Q1046-E1050 PolarHBondContact NE2-OE1 2.91Å; Q1046-E1050 WeakPolarHBondContact O-CG 3.17Å; Q1046-E1050 PolarHBondContact O-N 3.25Å; R1047-E1050 PolarHBondContact O-N 3.23Å; E1050-L1052 VanDerWaalsContact C-N 3.28Å; E1050-L1052 PolarHBondContact O-N 3.46Å; E1050-E1053 PolarHBondContact O-N 3.16Å; E1050-N1054 VanDerWaalsContact O-CB 3.24Å; E1050-N1054 WeakPolarHBondContact O-CB 3.36Å; E1050-N1054 PolarHBondContact O-N 3.25Å; E1050-N1054 PolarHBondContact O-ND2 2.96Å |
| 1051 | D | 91.8 | Very high | 92.1 | Very high | 97 Ų | 97 | 75.1 Ų | 75.1 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.3 | -28.2 | 176.5 | -70.3 | -28.8 | 0 | 0 | 0 | 113.1 | R1047 R1049 R1055 | R1047-D1051 WeakPolarHBondContact O-CB 3.46Å; R1047-D1051 VanDerWaalsContact O-CG 3.25Å; R1047-D1051 PolarHBondContact O-N 3.28Å; R1049-D1051 VanDerWaalsContact C-N 3.33Å; R1049-D1051 PolarHBondContact O-N 2.82Å; D1051-R1055 VanDerWaalsContact O-CG 3.28Å; D1051-R1055 WeakPolarHBondContact O-CG 3.42Å; D1051-R1055 PolarHBondContact O-N 3.19Å; D1051-R1055 PolarHBondContact O-NE 3.05Å |
| 1052 | L | 93.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 78.2 Ų | 78.2 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -79.1 | -48.8 | 173 | 175.9 | 59.4 | 0 | 0 | 0 | 111.4 | E838 I839 L842 Q1048 R1049 E1050 N1054 R1055 I1056 | E838-L1052 HydrophobicContact CB-CD1 3.78Å; E838-L1052 HydrophobicContact CB-CD2 4.37Å; E838-L1052 HydrophobicContact CG-CD1 4.5Å; I839-L1052 HydrophobicContact CG1-CD2 4.15Å; L842-L1052 HydrophobicContact CB-CD2 3.98Å; L842-L1052 HydrophobicContact CD2-CB 4.24Å; L842-L1052 HydrophobicContact CD2-CD2 3.68Å; L842-L1052 HydrophobicContact CG-CD2 4.47Å; Q1048-L1052 WeakPolarHBondContact O-CB 3.36Å; Q1048-L1052 PolarHBondContact O-N 2.97Å; R1049-L1052 PolarHBondContact O-N 3.21Å; R1049-L1052 VanDerWaalsContact O-N 3.08Å; E1050-L1052 VanDerWaalsContact C-N 3.28Å; E1050-L1052 PolarHBondContact O-N 3.46Å; L1052-N1054 VanDerWaalsContact C-N 3.27Å; L1052-N1054 PolarHBondContact O-N 3.13Å; L1052-R1055 PolarHBondContact O-N 3.08Å; L1052-R1055 VanDerWaalsContact O-N 3.11Å; L1052-I1056 HydrophobicContact CD1-CD1 3.75Å; L1052-I1056 HydrophobicContact CD1-CG1 4.01Å; L1052-I1056 HydrophobicContact CD2-CD1 4.42Å; L1052-I1056 HydrophobicContact CG-CD1 3.73Å; L1052-I1056 HydrophobicContact CG-CG1 4.43Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.35Å; L1052-I1056 PolarHBondContact O-N 3.41Å |
| 1053 | E | 93.5 | Very high | 92.4 | Very high | 79 Ų | 79 | 74.8 Ų | 74.8 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 178.2 | -71.2 | 178.8 | -175.4 | 0 | 0 | 111.3 | R1049 E1050 R1057 | R1049-E1053 HydrophobicContact CG-CG 4.4Å; R1049-E1053 WeakPolarHBondContact CG-OE1 3.49Å; R1049-E1053 IonicContact CZ-OE1 2.64Å; R1049-E1053 IonicContact NE-OE1 2.64Å; R1049-E1053 PolarHBondContact NE-OE1 3.03Å; R1049-E1053 IonicContact NH2-OE1 2.98Å; R1049-E1053 PolarHBondContact NH2-OE1 3.39Å; R1049-E1053 VanDerWaalsContact NH2-OE1 3.12Å; R1049-E1053 WeakPolarHBondContact O-CG 3.32Å; R1049-E1053 PolarHBondContact O-N 3.08Å; E1050-E1053 PolarHBondContact O-N 3.16Å; E1053-R1057 VanDerWaalsContact O-CB 3.32Å; E1053-R1057 WeakPolarHBondContact O-CB 3.41Å; E1053-R1057 PolarHBondContact O-N 3.26Å |
| 1054 | N | 94 | Very high | 92.5 | Very high | 77 Ų | 77 | 74.1 Ų | 74.1 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 174.2 | -70.9 | -29.4 | 0 | 0 | 0 | 112.6 | E1050 L1052 R1057 A1058 | E1050-N1054 VanDerWaalsContact O-CB 3.24Å; E1050-N1054 WeakPolarHBondContact O-CB 3.36Å; E1050-N1054 PolarHBondContact O-N 3.25Å; E1050-N1054 PolarHBondContact O-ND2 2.96Å; L1052-N1054 VanDerWaalsContact C-N 3.27Å; L1052-N1054 PolarHBondContact O-N 3.13Å; N1054-R1057 PolarHBondContact O-N 3.21Å; N1054-R1057 PolarHBondContact OD1-NH1 3.09Å; N1054-A1058 WeakPolarHBondContact O-CB 3.32Å; N1054-A1058 PolarHBondContact O-N 3.05Å |
| 1055 | R | 93.4 | Very high | 92.8 | Very high | 116 Ų | 116 | 74.5 Ų | 74.5 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 176.1 | -78 | -177.9 | -61.5 | 132.3 | -1.8 | 112.5 | D1051 L1052 R1059 | D1051-R1055 VanDerWaalsContact O-CG 3.28Å; D1051-R1055 WeakPolarHBondContact O-CG 3.42Å; D1051-R1055 PolarHBondContact O-N 3.19Å; D1051-R1055 PolarHBondContact O-NE 3.05Å; L1052-R1055 PolarHBondContact O-N 3.08Å; L1052-R1055 VanDerWaalsContact O-N 3.11Å; R1055-R1059 VanDerWaalsContact O-CB 3.29Å; R1055-R1059 WeakPolarHBondContact O-CB 3.43Å; R1055-R1059 PolarHBondContact O-N 2.67Å |
| 1056 | I | 93.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 75 Ų | 75 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 175.3 | -67 | 162.7 | 0 | 0 | 0 | 109.7 | E835 I839 L1052 R1059 K1060 | E835-I1056 HydrophobicContact CB-CG2 4.44Å; E835-I1056 HydrophobicContact CG-CD1 4.24Å; E835-I1056 HydrophobicContact CG-CG2 4.01Å; I839-I1056 HydrophobicContact CD1-CD1 4.09Å; I839-I1056 HydrophobicContact CG1-CD1 3.97Å; L1052-I1056 HydrophobicContact CD1-CD1 3.75Å; L1052-I1056 HydrophobicContact CD1-CG1 4.01Å; L1052-I1056 HydrophobicContact CD2-CD1 4.42Å; L1052-I1056 HydrophobicContact CG-CD1 3.73Å; L1052-I1056 HydrophobicContact CG-CG1 4.43Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.35Å; L1052-I1056 PolarHBondContact O-N 3.41Å; I1056-R1059 PolarHBondContact O-N 2.87Å; I1056-K1060 WeakPolarHBondContact O-CB 3.35Å; I1056-K1060 PolarHBondContact O-N 3.1Å |
| 1057 | R | 94.4 | Very high | 92.6 | Very high | 118 Ų | 118 | 72.3 Ų | 72.3 | 45% | 0.445 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.2 | -51.7 | 178.4 | -164.6 | -172.5 | -53.6 | 109.9 | 9.5 | 112 | E1053 N1054 R1059 K1060 E1061 | E1053-R1057 VanDerWaalsContact O-CB 3.32Å; E1053-R1057 WeakPolarHBondContact O-CB 3.41Å; E1053-R1057 PolarHBondContact O-N 3.26Å; N1054-R1057 PolarHBondContact O-N 3.21Å; N1054-R1057 PolarHBondContact OD1-NH1 3.09Å; R1057-R1059 VanDerWaalsContact C-N 3.32Å; R1057-R1059 PolarHBondContact O-N 3.49Å; R1057-K1060 WeakPolarHBondContact O-CA 3.44Å; R1057-K1060 WeakPolarHBondContact O-CB 3.43Å; R1057-K1060 PolarHBondContact O-N 2.97Å; R1057-E1061 WeakPolarHBondContact CD-OE1 3.39Å; R1057-E1061 VanDerWaalsContact CG-OE1 3.32Å; R1057-E1061 WeakPolarHBondContact CG-OE1 3.42Å; R1057-E1061 WeakPolarHBondContact O-CG 3.31Å; R1057-E1061 PolarHBondContact O-N 3.06Å |
| 1058 | A | 93.1 | Very high | 92.6 | Very high | 54 Ų | 54 | 70.9 Ų | 70.9 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1054 K1060 S1062 | N1054-A1058 WeakPolarHBondContact O-CB 3.32Å; N1054-A1058 PolarHBondContact O-N 3.05Å; A1058-K1060 VanDerWaalsContact C-N 3.3Å; A1058-K1060 PolarHBondContact O-N 3.26Å; A1058-S1062 VanDerWaalsContact O-CB 3.24Å; A1058-S1062 WeakPolarHBondContact O-CB 3.45Å; A1058-S1062 PolarHBondContact O-N 2.88Å |
| 1059 | R | 94.8 | Very high | 92.7 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 18% | 0.181 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 173.1 | -177.4 | 177.1 | 67.7 | -142 | 4.2 | 111.8 | H831 E838 R1055 I1056 R1057 L1063 | H831-R1059 PolarHBondContact CE1-NE 2.98Å; H831-R1059 VanDerWaalsContact CE1-NE 3.34Å; H831-R1059 PolarHBondContact ND1-NE 3.38Å; E838-R1059 IonicContact OE1-CZ 3.88Å; E838-R1059 IonicContact OE1-NH1 3.84Å; E838-R1059 PolarHBondContact OE1-NH1 3.11Å; E838-R1059 IonicContact OE2-CZ 2.74Å; E838-R1059 IonicContact OE2-NH1 3.43Å; E838-R1059 PolarHBondContact OE2-NH1 3.27Å; E838-R1059 IonicContact OE2-NH2 2.65Å; E838-R1059 PolarHBondContact OE2-NH2 3Å; R1055-R1059 VanDerWaalsContact O-CB 3.29Å; R1055-R1059 WeakPolarHBondContact O-CB 3.43Å; R1055-R1059 PolarHBondContact O-N 2.67Å; I1056-R1059 PolarHBondContact O-N 2.87Å; R1057-R1059 VanDerWaalsContact C-N 3.32Å; R1057-R1059 PolarHBondContact O-N 3.49Å; R1059-L1063 VanDerWaalsContact O-CB 3.24Å; R1059-L1063 WeakPolarHBondContact O-CB 3.48Å; R1059-L1063 PolarHBondContact O-N 3.06Å; R1059-L1063 VanDerWaalsContact O-N 3.11Å |
| 1060 | K | 93.3 | Very high | 92.4 | Very high | 96 Ų | 96 | 74.2 Ų | 74.2 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71 | -49.9 | 179.6 | -176 | 174.1 | 172.1 | 176.6 | 0 | 111.3 | H831 I1056 R1057 A1058 S1062 L1063 E1064 | H831-K1060 PolarHBondContact CE1-N 3.39Å; I1056-K1060 WeakPolarHBondContact O-CB 3.35Å; I1056-K1060 PolarHBondContact O-N 3.1Å; R1057-K1060 WeakPolarHBondContact O-CA 3.44Å; R1057-K1060 WeakPolarHBondContact O-CB 3.43Å; R1057-K1060 PolarHBondContact O-N 2.97Å; A1058-K1060 VanDerWaalsContact C-N 3.3Å; A1058-K1060 PolarHBondContact O-N 3.26Å; K1060-S1062 VanDerWaalsContact C-N 3.32Å; K1060-S1062 PolarHBondContact O-N 3.35Å; K1060-L1063 PolarHBondContact O-N 3.1Å; K1060-L1063 VanDerWaalsContact O-N 3.15Å; K1060-E1064 WeakPolarHBondContact CE-OE1 3.44Å; K1060-E1064 HydrophobicContact CG-CG 4.41Å; K1060-E1064 IonicContact NZ-OE1 3.87Å; K1060-E1064 WeakPolarHBondContact O-CB 3.43Å; K1060-E1064 WeakPolarHBondContact O-CG 3.42Å; K1060-E1064 PolarHBondContact O-N 3.34Å |
| 1061 | E | 93.6 | Very high | 92.2 | Very high | 112 Ų | 112 | 72 Ų | 72 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 177.4 | -69.8 | 166.6 | 179.7 | 0 | 0 | 111.6 | R1057 A1065 | R1057-E1061 WeakPolarHBondContact CD-OE1 3.39Å; R1057-E1061 VanDerWaalsContact CG-OE1 3.32Å; R1057-E1061 WeakPolarHBondContact CG-OE1 3.42Å; R1057-E1061 WeakPolarHBondContact O-CG 3.31Å; R1057-E1061 PolarHBondContact O-N 3.06Å; E1061-A1065 VanDerWaalsContact O-CB 3.29Å; E1061-A1065 WeakPolarHBondContact O-CB 3.41Å; E1061-A1065 PolarHBondContact O-N 3.29Å |
| 1062 | S | 92.6 | Very high | 92.2 | Very high | 72 Ų | 72 | 72.4 Ų | 72.4 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.8 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | A1058 K1060 A1066 | A1058-S1062 VanDerWaalsContact O-CB 3.24Å; A1058-S1062 WeakPolarHBondContact O-CB 3.45Å; A1058-S1062 PolarHBondContact O-N 2.88Å; K1060-S1062 VanDerWaalsContact C-N 3.32Å; K1060-S1062 PolarHBondContact O-N 3.35Å; S1062-A1066 WeakPolarHBondContact O-CB 3.45Å; S1062-A1066 PolarHBondContact O-N 3.08Å |
| 1063 | L | 92.1 | Very high | 92 | Very high | 20 Ų | 20 | 75.6 Ų | 75.6 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 178.5 | 177.2 | 57.1 | 0 | 0 | 0 | 111.8 | L827 H831 R1059 K1060 A1065 A1066 M1067 | L827-L1063 HydrophobicContact CB-CD1 4.11Å; L827-L1063 HydrophobicContact CD1-CD1 4.4Å; H831-L1063 HydrophobicContact CB-CD2 3.79Å; R1059-L1063 VanDerWaalsContact O-CB 3.24Å; R1059-L1063 WeakPolarHBondContact O-CB 3.48Å; R1059-L1063 PolarHBondContact O-N 3.06Å; R1059-L1063 VanDerWaalsContact O-N 3.11Å; K1060-L1063 PolarHBondContact O-N 3.1Å; K1060-L1063 VanDerWaalsContact O-N 3.15Å; L1063-A1065 PolarHBondContact O-N 3.04Å; L1063-A1066 PolarHBondContact O-N 2.84Å; L1063-M1067 HydrophobicContact CD1-CG 4.29Å; L1063-M1067 HydrophobicContact CD1-SD 3.9Å; L1063-M1067 HydrophobicContact CD2-SD 4.46Å; L1063-M1067 HydrophobicContact CG-SD 3.63Å; L1063-M1067 VanDerWaalsContact O-CG 3.26Å; L1063-M1067 WeakPolarHBondContact O-CG 3.46Å; L1063-M1067 PolarHBondContact O-N 3.26Å; L1063-M1067 VanDerWaalsContact O-SD 3.36Å |
| 1064 | E | 91.4 | Very high | 91.7 | Very high | 93 Ų | 93 | 73 Ų | 73 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 176.6 | -72.6 | 177.4 | 179.6 | 0 | 0 | 111.8 | K1060 M1067 K1068 | K1060-E1064 WeakPolarHBondContact CE-OE1 3.44Å; K1060-E1064 HydrophobicContact CG-CG 4.41Å; K1060-E1064 IonicContact NZ-OE1 3.87Å; K1060-E1064 WeakPolarHBondContact O-CB 3.43Å; K1060-E1064 WeakPolarHBondContact O-CG 3.42Å; K1060-E1064 PolarHBondContact O-N 3.34Å; E1064-M1067 PolarHBondContact O-N 2.74Å; E1064-K1068 WeakPolarHBondContact O-CB 3.49Å; E1064-K1068 PolarHBondContact O-N 2.81Å |
| 1065 | A | 92.6 | Very high | 91.5 | Very high | 58 Ų | 58 | 75.3 Ų | 75.3 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1061 L1063 K1068 K1069 | E1061-A1065 VanDerWaalsContact O-CB 3.29Å; E1061-A1065 WeakPolarHBondContact O-CB 3.41Å; E1061-A1065 PolarHBondContact O-N 3.29Å; L1063-A1065 PolarHBondContact O-N 3.04Å; A1065-K1068 PolarHBondContact O-N 2.85Å; A1065-K1069 WeakPolarHBondContact O-CB 3.43Å; A1065-K1069 PolarHBondContact O-N 2.73Å |
| 1066 | A | 90.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 72.8 Ų | 72.8 | 19% | 0.19 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V606 S1062 L1063 K1069 N1070 | V606-A1066 HydrophobicContact CG1-CB 3.98Å; V606-A1066 HydrophobicContact CG2-CB 4.48Å; S1062-A1066 WeakPolarHBondContact O-CB 3.45Å; S1062-A1066 PolarHBondContact O-N 3.08Å; L1063-A1066 PolarHBondContact O-N 2.84Å; A1066-K1069 PolarHBondContact O-N 3.37Å; A1066-N1070 WeakPolarHBondContact O-CB 3.47Å; A1066-N1070 PolarHBondContact O-N 3.41Å |
| 1067 | M | 90.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 75.7 Ų | 75.7 | 15% | 0.153 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 174.2 | -70.3 | 150.8 | 79.4 | 0 | 0 | 111 | T824 L828 L1063 E1064 N1070 A1071 | T824-M1067 HydrophobicContact CG2-CE 3.34Å; T824-M1067 HydrophobicContact CG2-CG 4.25Å; L828-M1067 HydrophobicContact CB-CE 4.41Å; L1063-M1067 HydrophobicContact CD1-CG 4.29Å; L1063-M1067 HydrophobicContact CD1-SD 3.9Å; L1063-M1067 HydrophobicContact CD2-SD 4.46Å; L1063-M1067 HydrophobicContact CG-SD 3.63Å; L1063-M1067 VanDerWaalsContact O-CG 3.26Å; L1063-M1067 WeakPolarHBondContact O-CG 3.46Å; L1063-M1067 PolarHBondContact O-N 3.26Å; L1063-M1067 VanDerWaalsContact O-SD 3.36Å; E1064-M1067 PolarHBondContact O-N 2.74Å; M1067-N1070 PolarHBondContact O-N 3.24Å; M1067-A1071 WeakPolarHBondContact O-CB 3.37Å; M1067-A1071 PolarHBondContact O-N 3.42Å |
| 1068 | K | 91.3 | Very high | 91.1 | Very high | 133 Ų | 133 | 70.6 Ų | 70.6 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.5 | -50.2 | 175.3 | 179.6 | 178 | 172.2 | -178.2 | 0 | 111.9 | E1064 A1065 N1070 A1071 E1072 | E1064-K1068 WeakPolarHBondContact O-CB 3.49Å; E1064-K1068 PolarHBondContact O-N 2.81Å; A1065-K1068 PolarHBondContact O-N 2.85Å; K1068-N1070 VanDerWaalsContact C-N 3.29Å; K1068-N1070 PolarHBondContact O-N 3.43Å; K1068-A1071 PolarHBondContact O-N 2.98Å; K1068-A1071 VanDerWaalsContact O-N 3.16Å; K1068-E1072 WeakPolarHBondContact CE-OE1 3.46Å; K1068-E1072 WeakPolarHBondContact CG-OE1 3.32Å; K1068-E1072 IonicContact NZ-OE1 3.9Å; K1068-E1072 WeakPolarHBondContact O-CG 3.41Å; K1068-E1072 PolarHBondContact O-N 3.42Å |
| 1069 | K | 91.4 | Very high | 91.1 | Very high | 158 Ų | 158 | 76.2 Ų | 76.2 | 69% | 0.687 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59 | -38.9 | 178 | -175.6 | 176.8 | 179.8 | 178.8 | 0 | 112.1 | A1065 A1066 E1072 S1073 | A1065-K1069 WeakPolarHBondContact O-CB 3.43Å; A1065-K1069 PolarHBondContact O-N 2.73Å; A1066-K1069 PolarHBondContact O-N 3.37Å; K1069-E1072 PolarHBondContact O-N 2.84Å; K1069-S1073 WeakPolarHBondContact O-CB 3.46Å; K1069-S1073 PolarHBondContact O-N 3.44Å |
| 1070 | N | 86.9 | Confident | 91.1 | Very high | 69 Ų | 69 | 80.8 Ų | 80.8 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 175.7 | -168.9 | 30.4 | 0 | 0 | 0 | 112.2 | A1066 M1067 K1068 E1072 S1073 T1074 | A1066-N1070 WeakPolarHBondContact O-CB 3.47Å; A1066-N1070 PolarHBondContact O-N 3.41Å; M1067-N1070 PolarHBondContact O-N 3.24Å; K1068-N1070 VanDerWaalsContact C-N 3.29Å; K1068-N1070 PolarHBondContact O-N 3.43Å; N1070-E1072 VanDerWaalsContact C-N 3.31Å; N1070-E1072 PolarHBondContact O-N 3.19Å; N1070-S1073 PolarHBondContact O-N 2.9Å; N1070-T1074 WeakPolarHBondContact O-CB 3.45Å; N1070-T1074 WeakPolarHBondContact O-CG2 3.31Å; N1070-T1074 PolarHBondContact O-N 2.88Å; N1070-T1074 PolarHBondContact O-OG1 2.86Å |
| 1071 | A | 89.3 | Confident | 91.1 | Very high | 37 Ų | 37 | 78.6 Ų | 78.6 | 31% | 0.306 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1067 K1068 T1074 K1075 | M1067-A1071 WeakPolarHBondContact O-CB 3.37Å; M1067-A1071 PolarHBondContact O-N 3.42Å; K1068-A1071 PolarHBondContact O-N 2.98Å; K1068-A1071 VanDerWaalsContact O-N 3.16Å; A1071-T1074 WeakPolarHBondContact CA-OG1 3.48Å; A1071-T1074 PolarHBondContact O-OG1 3.4Å; A1071-K1075 WeakPolarHBondContact O-CB 3.35Å; A1071-K1075 VanDerWaalsContact O-CD 3.24Å; A1071-K1075 WeakPolarHBondContact O-CD 3.4Å; A1071-K1075 WeakPolarHBondContact O-CG 3.11Å; A1071-K1075 PolarHBondContact O-N 3.33Å |
| 1072 | E | 91.2 | Very high | 91.1 | Very high | 105 Ų | 105 | 75.1 Ų | 75.1 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.5 | -45.3 | 173.2 | -73.5 | 168.2 | -179 | 0 | 0 | 111.4 | K1068 K1069 N1070 T1074 K1075 E1076 | K1068-E1072 WeakPolarHBondContact CE-OE1 3.46Å; K1068-E1072 WeakPolarHBondContact CG-OE1 3.32Å; K1068-E1072 IonicContact NZ-OE1 3.9Å; K1068-E1072 WeakPolarHBondContact O-CG 3.41Å; K1068-E1072 PolarHBondContact O-N 3.42Å; K1069-E1072 PolarHBondContact O-N 2.84Å; N1070-E1072 VanDerWaalsContact C-N 3.31Å; N1070-E1072 PolarHBondContact O-N 3.19Å; E1072-T1074 PolarHBondContact O-N 3.41Å; E1072-K1075 PolarHBondContact O-N 2.99Å; E1072-E1076 WeakPolarHBondContact O-CB 3.45Å; E1072-E1076 PolarHBondContact O-N 3.47Å |
| 1073 | S | 89.1 | Confident | 91.2 | Very high | 75 Ų | 75 | 79.4 Ų | 79.4 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 176.7 | -170.8 | 0 | 0 | 0 | 0 | 112.8 | K1069 N1070 E1076 E1077 | K1069-S1073 WeakPolarHBondContact O-CB 3.46Å; K1069-S1073 PolarHBondContact O-N 3.44Å; N1070-S1073 PolarHBondContact O-N 2.9Å; S1073-E1076 PolarHBondContact O-N 2.91Å; S1073-E1077 WeakPolarHBondContact O-CB 3.34Å; S1073-E1077 PolarHBondContact O-N 3.02Å |
| 1074 | T | 87.7 | Confident | 91.3 | Very high | 24 Ų | 24 | 86.9 Ų | 86.9 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.9 | -36 | 178.9 | 47.8 | 0 | 0 | 0 | 0 | 112.7 | N1070 A1071 E1072 S1078 | N1070-T1074 WeakPolarHBondContact O-CB 3.45Å; N1070-T1074 WeakPolarHBondContact O-CG2 3.31Å; N1070-T1074 PolarHBondContact O-N 2.88Å; N1070-T1074 PolarHBondContact O-OG1 2.86Å; A1071-T1074 WeakPolarHBondContact CA-OG1 3.48Å; A1071-T1074 PolarHBondContact O-OG1 3.4Å; E1072-T1074 PolarHBondContact O-N 3.41Å; T1074-S1078 WeakPolarHBondContact O-CB 3.43Å; T1074-S1078 PolarHBondContact O-N 2.92Å; T1074-S1078 PolarHBondContact O-OG 3.47Å |
| 1075 | K | 90.1 | Very high | 91.4 | Very high | 127 Ų | 127 | 82.9 Ų | 82.9 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 171.2 | -75.2 | 168.5 | -171.2 | 173.3 | 0 | 111.6 | A1071 E1072 S1078 R1079 | A1071-K1075 WeakPolarHBondContact O-CB 3.35Å; A1071-K1075 VanDerWaalsContact O-CD 3.24Å; A1071-K1075 WeakPolarHBondContact O-CD 3.4Å; A1071-K1075 WeakPolarHBondContact O-CG 3.11Å; A1071-K1075 PolarHBondContact O-N 3.33Å; E1072-K1075 PolarHBondContact O-N 2.99Å; K1075-S1078 WeakPolarHBondContact O-CB 3.49Å; K1075-S1078 PolarHBondContact O-N 3.49Å; K1075-R1079 WeakPolarHBondContact O-CG 3.38Å; K1075-R1079 PolarHBondContact O-N 3.5Å |
| 1076 | E | 91.7 | Very high | 91.4 | Very high | 62 Ų | 62 | 85 Ų | 85 | 29% | 0.29 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.8 | -38.6 | 178.6 | 176.5 | 56.3 | -167.6 | 0 | 0 | 112.5 | E1072 S1073 S1078 R1079 R1080 | E1072-E1076 WeakPolarHBondContact O-CB 3.45Å; E1072-E1076 PolarHBondContact O-N 3.47Å; S1073-E1076 PolarHBondContact O-N 2.91Å; E1076-S1078 VanDerWaalsContact C-N 3.33Å; E1076-S1078 PolarHBondContact O-N 3.17Å; E1076-R1079 WeakPolarHBondContact O-CB 3.37Å; E1076-R1079 PolarHBondContact O-N 3.18Å; E1076-R1079 WeakPolarHBondContact OE2-CD 3.28Å; E1076-R1079 IonicContact OE2-NH1 2.66Å; E1076-R1080 VanDerWaalsContact O-CG 3.31Å; E1076-R1080 WeakPolarHBondContact O-CG 3.18Å; E1076-R1080 PolarHBondContact O-N 2.95Å; E1076-R1080 IonicContact OE1-CZ 3.31Å; E1076-R1080 VanDerWaalsContact OE1-CZ 3.23Å; E1076-R1080 IonicContact OE1-NE 2.72Å; E1076-R1080 PolarHBondContact OE1-NE 3.47Å; E1076-R1080 IonicContact OE1-NH2 3.45Å; E1076-R1080 PolarHBondContact OE1-NH2 3.46Å |
| 1077 | E | 90 | Very high | 91.6 | Very high | 74 Ų | 74 | 88.3 Ų | 88.3 | 35% | 0.346 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 170.7 | -165.1 | -168.8 | 173.6 | 0 | 0 | 111.7 | Q816 S1073 R1079 R1080 K1081 | Q816-E1077 PolarHBondContact NE2-OE2 3.03Å; S1073-E1077 WeakPolarHBondContact O-CB 3.34Å; S1073-E1077 PolarHBondContact O-N 3.02Å; E1077-R1079 VanDerWaalsContact C-N 3.34Å; E1077-R1079 PolarHBondContact O-N 2.96Å; E1077-R1080 PolarHBondContact O-N 2.6Å; E1077-K1081 VanDerWaalsContact CD-NZ 3.29Å; E1077-K1081 HydrophobicContact CG-CD 4.4Å; E1077-K1081 WeakPolarHBondContact O-CG 3.19Å; E1077-K1081 PolarHBondContact O-N 2.62Å; E1077-K1081 WeakPolarHBondContact OE1-CE 3.49Å; E1077-K1081 IonicContact OE1-NZ 3.12Å; E1077-K1081 PolarHBondContact OE1-NZ 3.44Å; E1077-K1081 IonicContact OE2-NZ 2.69Å |
| 1078 | S | 91.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 92.7 Ų | 92.7 | 8% | 0.084 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 175.6 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | T1074 K1075 E1076 T1082 | T1074-S1078 WeakPolarHBondContact O-CB 3.43Å; T1074-S1078 PolarHBondContact O-N 2.92Å; T1074-S1078 PolarHBondContact O-OG 3.47Å; K1075-S1078 WeakPolarHBondContact O-CB 3.49Å; K1075-S1078 PolarHBondContact O-N 3.49Å; E1076-S1078 VanDerWaalsContact C-N 3.33Å; E1076-S1078 PolarHBondContact O-N 3.17Å; S1078-T1082 WeakPolarHBondContact O-CB 3.31Å; S1078-T1082 PolarHBondContact O-N 2.95Å; S1078-T1082 VanDerWaalsContact O-N 3.07Å; S1078-T1082 PolarHBondContact O-OG1 3.39Å |
| 1079 | R | 92.8 | Very high | 92 | Very high | 172 Ų | 172 | 87.3 Ų | 87.3 | 65% | 0.649 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 172.6 | -73.4 | 168.1 | 173.2 | 177.8 | -3.3 | 111.6 | K1075 E1076 E1077 T1082 R1083 | K1075-R1079 WeakPolarHBondContact O-CG 3.38Å; K1075-R1079 PolarHBondContact O-N 3.5Å; E1076-R1079 WeakPolarHBondContact O-CB 3.37Å; E1076-R1079 PolarHBondContact O-N 3.18Å; E1076-R1079 WeakPolarHBondContact OE2-CD 3.28Å; E1076-R1079 IonicContact OE2-NH1 2.66Å; E1077-R1079 VanDerWaalsContact C-N 3.34Å; E1077-R1079 PolarHBondContact O-N 2.96Å; R1079-T1082 PolarHBondContact O-N 3.36Å; R1079-R1083 WeakPolarHBondContact O-CB 3.46Å; R1079-R1083 PolarHBondContact O-N 2.91Å |
| 1080 | R | 93.7 | Very high | 92.1 | Very high | 144 Ų | 144 | 81.7 Ų | 81.7 | 54% | 0.543 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 178.5 | -71 | 170.7 | -171.1 | -174.9 | 4.7 | 112.4 | E1076 E1077 R1083 R1084 | E1076-R1080 VanDerWaalsContact O-CG 3.31Å; E1076-R1080 WeakPolarHBondContact O-CG 3.18Å; E1076-R1080 PolarHBondContact O-N 2.95Å; E1076-R1080 IonicContact OE1-CZ 3.31Å; E1076-R1080 VanDerWaalsContact OE1-CZ 3.23Å; E1076-R1080 IonicContact OE1-NE 2.72Å; E1076-R1080 PolarHBondContact OE1-NE 3.47Å; E1076-R1080 IonicContact OE1-NH2 3.45Å; E1076-R1080 PolarHBondContact OE1-NH2 3.46Å; E1077-R1080 PolarHBondContact O-N 2.6Å; R1080-R1083 PolarHBondContact O-N 2.82Å; R1080-R1084 WeakPolarHBondContact O-CB 3.47Å; R1080-R1084 WeakPolarHBondContact O-CG 3.21Å; R1080-R1084 PolarHBondContact O-N 3.14Å |
| 1081 | K | 93.2 | Very high | 92.4 | Very high | 49 Ų | 49 | 83.4 Ų | 83.4 | 21% | 0.213 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 175.1 | -71.6 | 173.7 | -180 | 165.2 | 0 | 111.1 | L809 Y812 E1077 R1084 L1085 | L809-K1081 HydrophobicContact CD1-CB 3.77Å; L809-K1081 HydrophobicContact CD1-CD 4.41Å; L809-K1081 HydrophobicContact CD2-CB 4.35Å; Y812-K1081 HydrophobicContact CE1-CD 4.24Å; Y812-K1081 PolarHBondContact OH-NZ 3.28Å; Y812-K1081 VanDerWaalsContact OH-NZ 3.17Å; E1077-K1081 VanDerWaalsContact CD-NZ 3.29Å; E1077-K1081 HydrophobicContact CG-CD 4.4Å; E1077-K1081 WeakPolarHBondContact O-CG 3.19Å; E1077-K1081 PolarHBondContact O-N 2.62Å; E1077-K1081 WeakPolarHBondContact OE1-CE 3.49Å; E1077-K1081 IonicContact OE1-NZ 3.12Å; E1077-K1081 PolarHBondContact OE1-NZ 3.44Å; E1077-K1081 IonicContact OE2-NZ 2.69Å; K1081-R1084 PolarHBondContact O-N 3.13Å; K1081-L1085 WeakPolarHBondContact O-CB 3.34Å; K1081-L1085 PolarHBondContact O-N 3.15Å |
| 1082 | T | 93.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 83.5 Ų | 83.5 | 24% | 0.239 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | S1078 R1079 L1085 M1086 | S1078-T1082 WeakPolarHBondContact O-CB 3.31Å; S1078-T1082 PolarHBondContact O-N 2.95Å; S1078-T1082 VanDerWaalsContact O-N 3.07Å; S1078-T1082 PolarHBondContact O-OG1 3.39Å; R1079-T1082 PolarHBondContact O-N 3.36Å; T1082-L1085 PolarHBondContact O-N 2.82Å; T1082-M1086 HydrophobicContact CG2-CE 3.77Å; T1082-M1086 HydrophobicContact CG2-SD 4.03Å; T1082-M1086 WeakPolarHBondContact O-CG 3.43Å; T1082-M1086 PolarHBondContact O-N 3.05Å |
| 1083 | R | 94.7 | Very high | 92.6 | Very high | 163 Ų | 163 | 80.1 Ų | 80.1 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.6 | -50.8 | 178.3 | -166 | -169.5 | -66.2 | 178.3 | -0.9 | 111.6 | R1079 R1080 L1085 M1086 E1087 | R1079-R1083 WeakPolarHBondContact O-CB 3.46Å; R1079-R1083 PolarHBondContact O-N 2.91Å; R1080-R1083 PolarHBondContact O-N 2.82Å; R1083-L1085 VanDerWaalsContact C-N 3.26Å; R1083-L1085 PolarHBondContact O-N 3.18Å; R1083-M1086 PolarHBondContact O-N 3.35Å; R1083-M1086 VanDerWaalsContact O-N 3.15Å; R1083-E1087 VanDerWaalsContact CD-OE1 3.23Å; R1083-E1087 WeakPolarHBondContact CD-OE1 3.18Å; R1083-E1087 HydrophobicContact CG-CG 4.35Å; R1083-E1087 VanDerWaalsContact CG-OE1 3.29Å; R1083-E1087 WeakPolarHBondContact CG-OE1 3.43Å; R1083-E1087 WeakPolarHBondContact O-CB 3.46Å; R1083-E1087 VanDerWaalsContact O-CG 3.31Å; R1083-E1087 WeakPolarHBondContact O-CG 3.47Å; R1083-E1087 PolarHBondContact O-N 3.28Å |
| 1084 | R | 94.1 | Very high | 92.8 | Very high | 177 Ų | 177 | 82.9 Ų | 82.9 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59 | -34.9 | 178 | -73.8 | 175.4 | 174.6 | -177.7 | -2.7 | 113.2 | R1080 K1081 E1087 R1088 | R1080-R1084 WeakPolarHBondContact O-CB 3.47Å; R1080-R1084 WeakPolarHBondContact O-CG 3.21Å; R1080-R1084 PolarHBondContact O-N 3.14Å; K1081-R1084 PolarHBondContact O-N 3.13Å; R1084-E1087 WeakPolarHBondContact CA-OE2 3.4Å; R1084-R1088 WeakPolarHBondContact O-CG 3.47Å; R1084-R1088 PolarHBondContact O-N 3Å; R1084-R1088 VanDerWaalsContact O-N 3.11Å |
| 1085 | L | 93.9 | Very high | 93 | Very high | 9 Ų | 9 | 84.7 Ų | 84.7 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.4 | -48.9 | 175.6 | -177 | 60.9 | 0 | 0 | 0 | 111.3 | E805 M806 L809 K1081 T1082 R1083 E1087 R1088 H1089 | E805-L1085 HydrophobicContact CB-CD1 3.98Å; E805-L1085 WeakPolarHBondContact OE2-CD1 3.42Å; M806-L1085 HydrophobicContact CG-CD2 4.24Å; M806-L1085 HydrophobicContact SD-CD2 3.42Å; M806-L1085 WeakPolarHBondContact SD-CD2 3.27Å; M806-L1085 HydrophobicContact SD-CG 3.9Å; L809-L1085 HydrophobicContact CB-CD2 3.7Å; L809-L1085 HydrophobicContact CD2-CB 4.06Å; L809-L1085 HydrophobicContact CD2-CD2 3.51Å; L809-L1085 HydrophobicContact CD2-CG 4.44Å; L809-L1085 HydrophobicContact CG-CD2 4.24Å; K1081-L1085 WeakPolarHBondContact O-CB 3.34Å; K1081-L1085 PolarHBondContact O-N 3.15Å; T1082-L1085 PolarHBondContact O-N 2.82Å; R1083-L1085 VanDerWaalsContact C-N 3.26Å; R1083-L1085 PolarHBondContact O-N 3.18Å; L1085-E1087 VanDerWaalsContact C-N 3.33Å; L1085-E1087 PolarHBondContact O-N 3.43Å; L1085-R1088 PolarHBondContact O-N 2.89Å; L1085-H1089 WeakPolarHBondContact CD1-NE2 3.37Å; L1085-H1089 WeakPolarHBondContact O-CB 3.45Å; L1085-H1089 PolarHBondContact O-CD2 3.39Å; L1085-H1089 VanDerWaalsContact O-CG 3.28Å; L1085-H1089 PolarHBondContact O-N 3.04Å |
| 1086 | M | 93.3 | Very high | 93.2 | Very high | 103 Ų | 103 | 79.5 Ų | 79.5 | 51% | 0.507 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 177.3 | -69.4 | 176.6 | 171.6 | 0 | 0 | 112.6 | M806 T1082 R1083 H1089 A1090 | M806-M1086 HydrophobicContact CE-CE 4.03Å; T1082-M1086 HydrophobicContact CG2-CE 3.77Å; T1082-M1086 HydrophobicContact CG2-SD 4.03Å; T1082-M1086 WeakPolarHBondContact O-CG 3.43Å; T1082-M1086 PolarHBondContact O-N 3.05Å; R1083-M1086 PolarHBondContact O-N 3.35Å; R1083-M1086 VanDerWaalsContact O-N 3.15Å; M1086-H1089 PolarHBondContact O-N 2.87Å; M1086-A1090 WeakPolarHBondContact O-CB 3.39Å; M1086-A1090 PolarHBondContact O-N 2.96Å |
| 1087 | E | 94.2 | Very high | 93.2 | Very high | 91 Ų | 91 | 78.1 Ų | 78.1 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.5 | -53.5 | 173 | -74.3 | 161.6 | 167.2 | 0 | 0 | 110.6 | R1083 R1084 L1085 H1089 A1090 E1091 | R1083-E1087 VanDerWaalsContact CD-OE1 3.23Å; R1083-E1087 WeakPolarHBondContact CD-OE1 3.18Å; R1083-E1087 HydrophobicContact CG-CG 4.35Å; R1083-E1087 VanDerWaalsContact CG-OE1 3.29Å; R1083-E1087 WeakPolarHBondContact CG-OE1 3.43Å; R1083-E1087 WeakPolarHBondContact O-CB 3.46Å; R1083-E1087 VanDerWaalsContact O-CG 3.31Å; R1083-E1087 WeakPolarHBondContact O-CG 3.47Å; R1083-E1087 PolarHBondContact O-N 3.28Å; R1084-E1087 WeakPolarHBondContact CA-OE2 3.4Å; L1085-E1087 VanDerWaalsContact C-N 3.33Å; L1085-E1087 PolarHBondContact O-N 3.43Å; E1087-H1089 VanDerWaalsContact C-N 3.32Å; E1087-H1089 PolarHBondContact O-N 2.94Å; E1087-A1090 PolarHBondContact O-N 3.03Å; E1087-E1091 WeakPolarHBondContact O-CB 3.32Å; E1087-E1091 WeakPolarHBondContact O-CG 3.02Å; E1087-E1091 PolarHBondContact O-N 3.16Å |
| 1088 | R | 95 | Very high | 93.3 | Very high | 123 Ų | 123 | 79.4 Ų | 79.4 | 46% | 0.464 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 174.8 | -74.7 | -164.5 | -62.4 | 103.6 | -8.3 | 113.2 | E805 R1084 L1085 E1091 A1092 | E805-R1088 IonicContact OE1-NH1 3.53Å; E805-R1088 IonicContact OE2-CZ 2.83Å; E805-R1088 IonicContact OE2-NH1 3.57Å; E805-R1088 PolarHBondContact OE2-NH1 3.35Å; E805-R1088 IonicContact OE2-NH2 2.75Å; E805-R1088 PolarHBondContact OE2-NH2 2.99Å; R1084-R1088 WeakPolarHBondContact O-CG 3.47Å; R1084-R1088 PolarHBondContact O-N 3Å; R1084-R1088 VanDerWaalsContact O-N 3.11Å; L1085-R1088 PolarHBondContact O-N 2.89Å; R1088-E1091 PolarHBondContact O-N 3Å; R1088-A1092 WeakPolarHBondContact O-CB 3.42Å; R1088-A1092 PolarHBondContact O-N 2.98Å |
| 1089 | H | 94.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 83.7 Ų | 83.7 | 9% | 0.093 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | -179.6 | -72.1 | -174.4 | 0 | 0 | 0 | 111.7 | Q802 E805 L1085 M1086 E1087 A1092 V1093 | Q802-H1089 HydrophobicContact CG-CB 4.18Å; Q802-H1089 PolarHBondContact NE2-O 3.48Å; Q802-H1089 PolarHBondContact O-CE1 2.92Å; Q802-H1089 VanDerWaalsContact O-CE1 3.31Å; E805-H1089 IonicContact OE2-CD2 3.87Å; E805-H1089 IonicContact OE2-CE1 3.82Å; E805-H1089 IonicContact OE2-NE2 2.88Å; E805-H1089 PolarHBondContact OE2-NE2 2.68Å; L1085-H1089 WeakPolarHBondContact CD1-NE2 3.37Å; L1085-H1089 WeakPolarHBondContact O-CB 3.45Å; L1085-H1089 PolarHBondContact O-CD2 3.39Å; L1085-H1089 VanDerWaalsContact O-CG 3.28Å; L1085-H1089 PolarHBondContact O-N 3.04Å; M1086-H1089 PolarHBondContact O-N 2.87Å; E1087-H1089 VanDerWaalsContact C-N 3.32Å; E1087-H1089 PolarHBondContact O-N 2.94Å; H1089-A1092 PolarHBondContact O-N 3.46Å; H1089-V1093 WeakPolarHBondContact O-CG2 3.47Å; H1089-V1093 PolarHBondContact O-N 3.06Å; H1089-V1093 VanDerWaalsContact O-N 3.07Å |
| 1090 | A | 92.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 75.5 Ų | 75.5 | 33% | 0.331 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1086 E1087 R1094 | M1086-A1090 WeakPolarHBondContact O-CB 3.39Å; M1086-A1090 PolarHBondContact O-N 2.96Å; E1087-A1090 PolarHBondContact O-N 3.03Å; A1090-R1094 WeakPolarHBondContact O-CB 3.47Å; A1090-R1094 VanDerWaalsContact O-CG 3.3Å; A1090-R1094 WeakPolarHBondContact O-CG 3.47Å; A1090-R1094 PolarHBondContact O-N 2.87Å; A1090-R1094 PolarHBondContact O-NH1 3.34Å |
| 1091 | E | 94.2 | Very high | 93.1 | Very high | 105 Ų | 105 | 71 Ų | 71 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 172 | -76.1 | 170.2 | 175.9 | 0 | 0 | 112.2 | E1087 R1088 V1093 R1094 A1095 | E1087-E1091 WeakPolarHBondContact O-CB 3.32Å; E1087-E1091 WeakPolarHBondContact O-CG 3.02Å; E1087-E1091 PolarHBondContact O-N 3.16Å; R1088-E1091 PolarHBondContact O-N 3Å; E1091-V1093 VanDerWaalsContact C-N 3.33Å; E1091-V1093 PolarHBondContact O-N 3.39Å; E1091-R1094 PolarHBondContact O-N 3.16Å; E1091-A1095 WeakPolarHBondContact O-CB 3.22Å; E1091-A1095 PolarHBondContact O-N 3.3Å |
| 1092 | A | 92.8 | Very high | 93 | Very high | 39 Ų | 39 | 74.8 Ų | 74.8 | 32% | 0.322 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L798 R1088 H1089 F1096 | L798-A1092 HydrophobicContact CD1-CB 4.19Å; R1088-A1092 WeakPolarHBondContact O-CB 3.42Å; R1088-A1092 PolarHBondContact O-N 2.98Å; H1089-A1092 PolarHBondContact O-N 3.46Å; A1092-F1096 WeakPolarHBondContact O-CB 3.38Å; A1092-F1096 PolarHBondContact O-N 3.47Å |
| 1093 | V | 91.8 | Very high | 92.8 | Very high | 34 Ų | 34 | 77.5 Ų | 77.5 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | L798 H1089 E1091 A1095 F1096 D1097 | L798-V1093 HydrophobicContact CD2-CG2 4.25Å; H1089-V1093 WeakPolarHBondContact O-CG2 3.47Å; H1089-V1093 PolarHBondContact O-N 3.06Å; H1089-V1093 VanDerWaalsContact O-N 3.07Å; E1091-V1093 VanDerWaalsContact C-N 3.33Å; E1091-V1093 PolarHBondContact O-N 3.39Å; V1093-A1095 PolarHBondContact O-N 2.73Å; V1093-F1096 PolarHBondContact O-N 3.16Å; V1093-D1097 WeakPolarHBondContact O-CB 3.33Å; V1093-D1097 PolarHBondContact O-N 3.21Å |
| 1094 | R | 92.3 | Very high | 92.4 | Very high | 134 Ų | 134 | 73.1 Ų | 73.1 | 51% | 0.506 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 175 | -76.7 | -170.4 | -56 | -88.3 | 11.7 | 112 | A1090 E1091 D1097 I1098 | A1090-R1094 WeakPolarHBondContact O-CB 3.47Å; A1090-R1094 VanDerWaalsContact O-CG 3.3Å; A1090-R1094 WeakPolarHBondContact O-CG 3.47Å; A1090-R1094 PolarHBondContact O-N 2.87Å; A1090-R1094 PolarHBondContact O-NH1 3.34Å; E1091-R1094 PolarHBondContact O-N 3.16Å; R1094-D1097 PolarHBondContact O-N 3.03Å; R1094-I1098 WeakPolarHBondContact O-CB 3.16Å; R1094-I1098 WeakPolarHBondContact O-CD1 3.5Å; R1094-I1098 WeakPolarHBondContact O-CG1 3.38Å; R1094-I1098 PolarHBondContact O-N 3.23Å |
| 1095 | A | 93.3 | Very high | 92.1 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1091 V1093 I1098 E1099 | E1091-A1095 WeakPolarHBondContact O-CB 3.22Å; E1091-A1095 PolarHBondContact O-N 3.3Å; V1093-A1095 PolarHBondContact O-N 2.73Å; A1095-I1098 PolarHBondContact O-N 3.07Å; A1095-E1099 WeakPolarHBondContact O-CB 3.39Å; A1095-E1099 PolarHBondContact O-N 3Å |
| 1096 | F | 93.9 | Very high | 91.8 | Very high | 18 Ų | 18 | 70.7 Ų | 70.7 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.5 | -177.4 | -84.9 | 0 | 0 | 0 | 112.8 | R791 K794 R795 L798 A1092 V1093 I1098 E1099 T1100 V1110 | R791-F1096 HydrophobicContact CB-CZ 4.27Å; R791-F1096 WeakPolarHBondContact O-CZ 3.34Å; K794-F1096 HydrophobicContact CB-CE2 3.67Å; K794-F1096 HydrophobicContact CB-CZ 4.11Å; R795-F1096 HydrophobicContact CB-CD1 4.25Å; R795-F1096 HydrophobicContact CB-CE1 3.6Å; R795-F1096 HydrophobicContact CB-CZ 3.83Å; R795-F1096 HydrophobicContact CG-CD1 3.84Å; R795-F1096 HydrophobicContact CG-CE1 3.63Å; R795-F1096 HydrophobicContact CG-CZ 4.33Å; L798-F1096 HydrophobicContact CD2-CB 3.96Å; L798-F1096 HydrophobicContact CD2-CG 4.23Å; A1092-F1096 WeakPolarHBondContact O-CB 3.38Å; A1092-F1096 PolarHBondContact O-N 3.47Å; V1093-F1096 PolarHBondContact O-N 3.16Å; F1096-I1098 VanDerWaalsContact C-N 3.33Å; F1096-I1098 PolarHBondContact O-N 3.5Å; F1096-E1099 PolarHBondContact O-N 2.86Å; F1096-T1100 WeakPolarHBondContact CE1-OG1 3.49Å; F1096-T1100 VanDerWaalsContact O-CB 3.29Å; F1096-T1100 WeakPolarHBondContact O-CB 3.35Å; F1096-T1100 PolarHBondContact O-N 3.24Å; F1096-T1100 PolarHBondContact O-OG1 3.43Å; F1096-V1110 HydrophobicContact CE1-CG1 4.27Å |
| 1097 | D | 91.9 | Very high | 91.5 | Very high | 33 Ų | 33 | 67.7 Ų | 67.7 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.9 | -28.5 | -178.9 | -72.5 | -10 | 0 | 0 | 0 | 111.5 | R795 V1093 R1094 A1101 N1107 | R795-D1097 IonicContact CZ-OD1 3.86Å; R795-D1097 IonicContact CZ-OD2 3.87Å; R795-D1097 IonicContact NE-OD1 3.01Å; R795-D1097 PolarHBondContact NE-OD1 3.43Å; R795-D1097 IonicContact NE-OD2 2.68Å; R795-D1097 VanDerWaalsContact NH2-CG 3.35Å; R795-D1097 IonicContact NH2-OD1 3.35Å; R795-D1097 PolarHBondContact NH2-OD1 3.25Å; R795-D1097 IonicContact NH2-OD2 3.42Å; R795-D1097 PolarHBondContact NH2-OD2 3.41Å; V1093-D1097 WeakPolarHBondContact O-CB 3.33Å; V1093-D1097 PolarHBondContact O-N 3.21Å; R1094-D1097 PolarHBondContact O-N 3.03Å; D1097-A1101 WeakPolarHBondContact O-CB 3.3Å; D1097-A1101 PolarHBondContact O-N 2.93Å; D1097-N1107 WeakPolarHBondContact CA-OD1 3.38Å; D1097-N1107 PolarHBondContact O-ND2 3.37Å; D1097-N1107 PolarHBondContact O-OD1 3.1Å |
| 1098 | I | 92 | Very high | 91.1 | Very high | 102 Ų | 102 | 66.2 Ų | 66.2 | 52% | 0.523 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.1 | -48.4 | 168.4 | -70.3 | 163.8 | 0 | 0 | 0 | 110.9 | R1094 A1095 F1096 T1100 A1101 N1102 | R1094-I1098 WeakPolarHBondContact O-CB 3.16Å; R1094-I1098 WeakPolarHBondContact O-CD1 3.5Å; R1094-I1098 WeakPolarHBondContact O-CG1 3.38Å; R1094-I1098 PolarHBondContact O-N 3.23Å; A1095-I1098 PolarHBondContact O-N 3.07Å; F1096-I1098 VanDerWaalsContact C-N 3.33Å; F1096-I1098 PolarHBondContact O-N 3.5Å; I1098-T1100 PolarHBondContact O-N 2.9Å; I1098-A1101 PolarHBondContact O-N 3.05Å; I1098-N1102 WeakPolarHBondContact O-CB 3.23Å; I1098-N1102 VanDerWaalsContact O-CG 3.25Å; I1098-N1102 PolarHBondContact O-N 2.98Å |
| 1099 | E | 91.9 | Very high | 90.5 | Very high | 101 Ų | 101 | 62.3 Ų | 62.3 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.7 | -27.3 | 178.9 | -155.7 | -145 | 147.4 | 0 | 0 | 112.2 | R791 A1095 F1096 | R791-E1099 IonicContact CZ-OE1 3.26Å; R791-E1099 IonicContact CZ-OE2 3.65Å; R791-E1099 IonicContact NH1-OE1 2.74Å; R791-E1099 PolarHBondContact NH1-OE1 3.44Å; R791-E1099 IonicContact NH1-OE2 2.73Å; R791-E1099 PolarHBondContact NH1-OE2 2.9Å; R791-E1099 PolarHBondContact NH2-O 3.35Å; R791-E1099 VanDerWaalsContact NH2-O 3.16Å; R791-E1099 IonicContact NH2-OE1 3.8Å; R791-E1099 PolarHBondContact NH2-OE1 3.43Å; R791-E1099 IonicContact NH2-OE2 3.39Å; A1095-E1099 WeakPolarHBondContact O-CB 3.39Å; A1095-E1099 PolarHBondContact O-N 3Å; F1096-E1099 PolarHBondContact O-N 2.86Å |
| 1100 | T | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.8 | -48.3 | 173.6 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | R791 F1096 I1098 N1102 L1103 I1105 N1107 V1110 | R791-T1100 WeakPolarHBondContact CD-OG1 3.38Å; R791-T1100 HydrophobicContact CG-CG2 4.43Å; F1096-T1100 WeakPolarHBondContact CE1-OG1 3.49Å; F1096-T1100 VanDerWaalsContact O-CB 3.29Å; F1096-T1100 WeakPolarHBondContact O-CB 3.35Å; F1096-T1100 PolarHBondContact O-N 3.24Å; F1096-T1100 PolarHBondContact O-OG1 3.43Å; I1098-T1100 PolarHBondContact O-N 2.9Å; T1100-N1102 VanDerWaalsContact C-N 3.26Å; T1100-N1102 PolarHBondContact O-N 3.1Å; T1100-L1103 PolarHBondContact O-N 3.4Å; T1100-I1105 HydrophobicContact CG2-CB 3.84Å; T1100-I1105 HydrophobicContact CG2-CG2 3.7Å; T1100-I1105 PolarHBondContact O-N 3.21Å; T1100-N1107 VanDerWaalsContact CB-OD1 3.28Å; T1100-N1107 WeakPolarHBondContact CB-OD1 3.49Å; T1100-N1107 VanDerWaalsContact CG2-OD1 3.23Å; T1100-N1107 WeakPolarHBondContact CG2-OD1 3.41Å; T1100-V1110 HydrophobicContact CG2-CG2 3.7Å |
| 1101 | A | 90.2 | Very high | 89.5 | Confident | 50 Ų | 50 | 63 Ų | 63 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1097 I1098 L1103 G1104 | D1097-A1101 WeakPolarHBondContact O-CB 3.3Å; D1097-A1101 PolarHBondContact O-N 2.93Å; I1098-A1101 PolarHBondContact O-N 3.05Å; A1101-L1103 PolarHBondContact O-N 3.33Å; A1101-G1104 PolarHBondContact O-N 3.43Å |
| 1102 | N | 91.5 | Very high | 87.8 | Confident | 129 Ų | 129 | 60.6 Ų | 60.6 | 69% | 0.69 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.4 | 175 | -72.2 | -13.1 | 0 | 0 | 0 | 114.1 | I1098 T1100 | I1098-N1102 WeakPolarHBondContact O-CB 3.23Å; I1098-N1102 VanDerWaalsContact O-CG 3.25Å; I1098-N1102 PolarHBondContact O-N 2.98Å; T1100-N1102 VanDerWaalsContact C-N 3.26Å; T1100-N1102 PolarHBondContact O-N 3.1Å |
| 1103 | L | 88.3 | Confident | 85.6 | Confident | 95 Ų | 95 | 60 Ų | 60 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 7 | 170.1 | -61.3 | -174.8 | 0 | 0 | 0 | 113.2 | T787 T1100 A1101 I1105 | T787-L1103 HydrophobicContact CG2-CD1 3.68Å; T1100-L1103 PolarHBondContact O-N 3.4Å; A1101-L1103 PolarHBondContact O-N 3.33Å; L1103-I1105 VanDerWaalsContact C-N 3.26Å; L1103-I1105 HydrophobicContact CB-CD1 4.19Å; L1103-I1105 HydrophobicContact CB-CG1 4.36Å; L1103-I1105 PolarHBondContact O-N 2.99Å |
| 1104 | G | 86.8 | Confident | 83.4 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 74% | 0.742 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 16.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | A1101 | A1101-G1104 PolarHBondContact O-N 3.43Š|
| 1105 | I | 87.3 | Confident | 80.8 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 39% | 0.388 | C | S | . | . | trans | -95.6 | 125.4 | 179.4 | -65 | 170 | 0 | 0 | 0 | 109.4 | T787 L788 R791 T1100 L1103 N1107 V1110 | T787-I1105 HydrophobicContact CG2-CD1 3.76Å; L788-I1105 HydrophobicContact CD1-CG2 3.76Å; R791-I1105 HydrophobicContact CG-CD1 4.06Å; T1100-I1105 HydrophobicContact CG2-CB 3.84Å; T1100-I1105 HydrophobicContact CG2-CG2 3.7Å; T1100-I1105 PolarHBondContact O-N 3.21Å; L1103-I1105 VanDerWaalsContact C-N 3.26Å; L1103-I1105 HydrophobicContact CB-CD1 4.19Å; L1103-I1105 HydrophobicContact CB-CG1 4.36Å; L1103-I1105 PolarHBondContact O-N 2.99Å; I1105-N1107 PolarHBondContact O-N 2.89Å; I1105-V1110 HydrophobicContact CG2-CG2 3.57Å | ||
| 1106 | D | 87.2 | Confident | 78.1 | Confident | 109 Ų | 109 | 66 Ų | 66 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | trans | -64.4 | 124.8 | 169 | 172.6 | 18.2 | 0 | 0 | 0 | 110.5 | A1108 A1109 | D1106-A1108 PolarHBondContact O-N 2.81Å; D1106-A1108 PolarHBondContact OD1-N 3.18Å; D1106-A1108 WeakPolarHBondContact OD2-CB 3.28Å; D1106-A1109 HydrophobicContact CB-CB 4.48Å; D1106-A1109 WeakPolarHBondContact O-CB 3.41Å; D1106-A1109 PolarHBondContact O-N 2.82Å | ||
| 1107 | N | 87.2 | Confident | 75.5 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 21% | 0.214 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.8 | -31.4 | 177.7 | -73.7 | -47.1 | 0 | 0 | 0 | 112.7 | D1097 T1100 I1105 A1109 V1110 V1111 | D1097-N1107 WeakPolarHBondContact CA-OD1 3.38Å; D1097-N1107 PolarHBondContact O-ND2 3.37Å; D1097-N1107 PolarHBondContact O-OD1 3.1Å; T1100-N1107 VanDerWaalsContact CB-OD1 3.28Å; T1100-N1107 WeakPolarHBondContact CB-OD1 3.49Å; T1100-N1107 VanDerWaalsContact CG2-OD1 3.23Å; T1100-N1107 WeakPolarHBondContact CG2-OD1 3.41Å; I1105-N1107 PolarHBondContact O-N 2.89Å; N1107-A1109 VanDerWaalsContact C-N 3.28Å; N1107-A1109 PolarHBondContact O-N 3.26Å; N1107-V1110 PolarHBondContact O-N 3.29Å; N1107-V1111 VanDerWaalsContact O-CG2 3.31Å; N1107-V1111 WeakPolarHBondContact O-CG2 3.35Å; N1107-V1111 PolarHBondContact O-N 3.06Å |
| 1108 | A | 87.3 | Confident | 72.8 | Confident | 60 Ų | 60 | 75.7 Ų | 75.7 | 50% | 0.496 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1106 V1110 V1111 G1112 | D1106-A1108 PolarHBondContact O-N 2.81Å; D1106-A1108 PolarHBondContact OD1-N 3.18Å; D1106-A1108 WeakPolarHBondContact OD2-CB 3.28Å; A1108-V1110 PolarHBondContact O-N 2.79Å; A1108-V1111 PolarHBondContact O-N 3.47Å; A1108-G1112 PolarHBondContact O-N 3.19Å |
| 1109 | A | 82.8 | Confident | 69.8 | Low | 42 Ų | 42 | 74.4 Ų | 74.4 | 35% | 0.347 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -21.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L788 K792 D1106 N1107 | L788-A1109 HydrophobicContact CD1-CB 4.15Å; K792-A1109 WeakPolarHBondContact CE-O 3.43Å; D1106-A1109 HydrophobicContact CB-CB 4.48Å; D1106-A1109 WeakPolarHBondContact O-CB 3.41Å; D1106-A1109 PolarHBondContact O-N 2.82Å; N1107-A1109 VanDerWaalsContact C-N 3.28Å; N1107-A1109 PolarHBondContact O-N 3.26Å |
| 1110 | V | 85.2 | Confident | 66.9 | Low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -89.2 | -40.5 | 174.8 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | L788 R791 K792 R795 F1096 T1100 I1105 N1107 A1108 G1112 | L788-V1110 HydrophobicContact CD1-CG2 4.05Å; R791-V1110 HydrophobicContact CB-CG1 4.11Å; R791-V1110 HydrophobicContact CB-CG2 4.18Å; K792-V1110 HydrophobicContact CG-CG1 4.16Å; R795-V1110 HydrophobicContact CB-CG1 3.86Å; R795-V1110 HydrophobicContact CG-CG1 4.35Å; F1096-V1110 HydrophobicContact CE1-CG1 4.27Å; T1100-V1110 HydrophobicContact CG2-CG2 3.7Å; I1105-V1110 HydrophobicContact CG2-CG2 3.57Å; N1107-V1110 PolarHBondContact O-N 3.29Å; A1108-V1110 PolarHBondContact O-N 2.79Å; V1110-G1112 PolarHBondContact O-N 3.1Å |
| 1111 | V | 79.4 | Confident | 64.2 | Low | 73 Ų | 73 | 80.5 Ų | 80.5 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | N1107 A1108 A1113 S1114 | N1107-V1111 VanDerWaalsContact O-CG2 3.31Å; N1107-V1111 WeakPolarHBondContact O-CG2 3.35Å; N1107-V1111 PolarHBondContact O-N 3.06Å; A1108-V1111 PolarHBondContact O-N 3.47Å; V1111-A1113 PolarHBondContact O-N 3.43Å; V1111-S1114 PolarHBondContact O-N 3.28Å |
| 1112 | G | 58.8 | Low | 61.3 | Low | 55 Ų | 55 | 81.8 Ų | 81.8 | 57% | 0.567 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -8.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | A1108 V1110 | A1108-G1112 PolarHBondContact O-N 3.19Å; V1110-G1112 PolarHBondContact O-N 3.1Å |
| 1113 | A | 47.8 | Very low | 58.6 | Low | 27 Ų | 27 | 82.8 Ų | 82.8 | 22% | 0.223 | 56% | 0.559 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -92.3 | -25.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K792 V1111 A1115 R1116 | K792-A1113 HydrophobicContact CB-CB 4.3Å; K792-A1113 HydrophobicContact CD-CB 3.76Å; K792-A1113 HydrophobicContact CG-CB 3.87Å; V1111-A1113 PolarHBondContact O-N 3.43Å; A1113-A1115 PolarHBondContact O-N 3.5Å; A1113-A1115 VanDerWaalsContact O-N 3.11Å; A1113-R1116 PolarHBondContact O-N 2.76Å |
| 1114 | S | 45.1 | Very low | 56.1 | Low | 39 Ų | 39 | 84 Ų | 84 | 27% | 0.273 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -65.1 | -22 | -168.5 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | V1111 R1116 | V1111-S1114 PolarHBondContact O-N 3.28Å; S1114-R1116 VanDerWaalsContact C-N 3.34Å; S1114-R1116 PolarHBondContact O-N 3.09Å |
| 1115 | A | 38.1 | Very low | 53.5 | Low | 94 Ų | 94 | 84.6 Ų | 84.6 | 78% | 0.777 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -82 | 4.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1113 | A1113-A1115 PolarHBondContact O-N 3.5Å; A1113-A1115 VanDerWaalsContact O-N 3.11Å |
| 1116 | R | 35.6 | Very low | 50.8 | Low | 222 Ų | 222 | 86.8 Ų | 86.8 | 84% | 0.838 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -128.6 | 5.2 | -167.3 | -57.6 | -167.1 | -170.3 | -158.9 | 3.3 | 117.2 | A1113 S1114 | A1113-R1116 PolarHBondContact O-N 2.76Å; S1114-R1116 VanDerWaalsContact C-N 3.34Å; S1114-R1116 PolarHBondContact O-N 3.09Å |
| 1117 | I | 39.8 | Very low | 48.3 | Very low | 131 Ų | 131 | 87.5 Ų | 87.5 | 67% | 0.672 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -117 | -16.5 | -169.6 | -61.4 | -179.5 | 0 | 0 | 0 | 113.9 | G1119 | I1117-G1119 VanDerWaalsContact C-N 3.27Å; I1117-G1119 PolarHBondContact O-N 2.91Å |
| 1118 | S | 34 | Very low | 45.8 | Very low | 124 Ų | 124 | 91.1 Ų | 91.1 | 87% | 0.867 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -84.8 | 39.9 | -175.4 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1119 | G | 28.8 | Very low | 43.2 | Very low | 75 Ų | 75 | 91.4 Ų | 91.4 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | trans | -142.8 | 53.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | I1117 | I1117-G1119 VanDerWaalsContact C-N 3.27Å; I1117-G1119 PolarHBondContact O-N 2.91Å | ||
| 1120 | S | 32 | Very low | 40.8 | Very low | 113 Ų | 113 | 95.2 Ų | 95.2 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | trans | -161.5 | 145.7 | 165.6 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1121 | S | 34.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 100 Ų | 100 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | 59.2 | 124.4 | -179.9 | 70.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1122 | G | 29.6 | Very low | 36.1 | Very low | 77 Ų | 77 | 102.2 Ų | 102.2 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | cis | 104 | 67 | -11.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1123 | V | 35.5 | Very low | 34.7 | Very low | 151 Ų | 151 | 104.5 Ų | 104.5 | 92% | 0.915 | 74% | 0.74 | S | S | * | * | trans | -137.5 | 150.9 | 158.2 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1124 | S | 34.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 113.6 Ų | 113.6 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -111.2 | 153.8 | -158.5 | 54.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1125 | G | 32.7 | Very low | 33.3 | Very low | 85 Ų | 85 | 117 Ų | 117 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 122.4 | 131.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1126 | G | 31.8 | Very low | 32.8 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | cis | 166.6 | 138.5 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1127 | S | 34.9 | Very low | 32.7 | Very low | 125 Ų | 125 | 113 Ų | 113 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | 66.8 | 148.5 | 170 | -63.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1128 | S | 34.6 | Very low | 32.3 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | cis | -167.7 | 157.3 | -15 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1129 | G | 32.2 | Very low | 31.9 | Very low | 65 Ų | 65 | 110.3 Ų | 110.3 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | 91.8 | 91.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1130 | S | 32.4 | Very low | 32 | Very low | 123 Ų | 123 | 116 Ų | 116 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | 68.2 | 129.2 | 78.9 | 74 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1131 | S | 33.2 | Very low | 32 | Very low | 100 Ų | 100 | 122 Ų | 122 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | cis | -155.3 | 163.1 | 42.3 | 55 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1132 | T | 31.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | 40.5 | 107 | 148 | 54.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1133 | S | 28.9 | Very low | 31.8 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | cis | 97.2 | 115.2 | 48.5 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1134 | F | 31.2 | Very low | 31.5 | Very low | 217 Ų | 217 | 122.1 Ų | 122.1 | 95% | 0.952 | 80% | 0.797 | S | S | * | * | trans | -135.9 | 145 | 151 | -104 | -80.7 | 0 | 0 | 0 | 109.3 | ||||
| 1135 | S | 32.8 | Very low | 31.5 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -94.2 | 148.7 | -162.4 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1136 | S | 29 | Very low | 31.4 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -48.4 | 146 | 165.9 | 51.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1137 | S | 32.1 | Very low | 31.3 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -114.9 | 154 | 132.6 | 65.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1138 | S | 31.1 | Very low | 31.2 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -90.9 | 147.8 | -166.6 | 43.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1139 | G | 27.4 | Very low | 30.9 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -84.6 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1140 | Q | 30.2 | Very low | 31.1 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -140.3 | 141 | 155.7 | -96.2 | 177.4 | -14.4 | 0 | 0 | 109.1 | ||||
| 1141 | R | 31.1 | Very low | 31.2 | Very low | 240 Ų | 240 | 147.2 Ų | 147.2 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -80.6 | 141.5 | 159.8 | -84.6 | 179.1 | 159.8 | -137.7 | -0.4 | 108.5 | ||||
| 1142 | P | 30.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -105.9 | 159.8 | 134.3 | -13.5 | 31.3 | 0 | 0 | 0 | 111.8 | ||||
| 1143 | S | 29.7 | Very low | 31.5 | Very low | 85 Ų | 85 | 154.7 Ų | 154.7 | 59% | 0.594 | 82% | 0.818 | S | S | * | * | trans | -96.4 | -174.1 | 170 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1144 | D | 30.6 | Very low | 31.9 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | 63.5 | 91.8 | 155.3 | -49.9 | -49.4 | 0 | 0 | 0 | 118.7 | ||||
| 1145 | W | 33.3 | Very low | 32.2 | Very low | 249 Ų | 249 | 154.5 Ų | 154.5 | 94% | 0.943 | 84% | 0.84 | S | S | * | * | trans | -123.1 | 96 | 150 | -93 | 74.4 | 0 | 0 | 0 | 110.6 | ||||
| 1146 | R | 30.2 | Very low | 32.2 | Very low | 214 Ų | 214 | 156.8 Ų | 156.8 | 81% | 0.808 | 84% | 0.844 | S | S | * | * | trans | -113.5 | 131.4 | 165.5 | -112.2 | -172.1 | 178.6 | -122.5 | 0.8 | 107.7 | ||||
| 1147 | H | 30.8 | Very low | 32.4 | Very low | 154 Ų | 154 | 159.1 Ų | 159.1 | 71% | 0.713 | 85% | 0.847 | S | S | * | * | trans | 61 | 105.1 | 164 | -59.1 | 60.4 | 0 | 0 | 0 | 117.3 | ||||
| 1148 | S | 32.9 | Very low | 32.4 | Very low | 123 Ų | 123 | 161.2 Ų | 161.2 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | -159.8 | 157 | 126.1 | -87.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 1149 | R | 28.2 | Very low | 32.5 | Very low | 235 Ų | 235 | 163.4 Ų | 163.4 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | trans | -133.6 | 105.9 | -170 | 172.4 | -173.9 | 172.4 | 179.3 | -1.2 | 109.5 | ||||
| 1150 | A | 36 | Very low | 32.8 | Very low | 90 Ų | 90 | 168.9 Ų | 168.9 | 74% | 0.744 | 85% | 0.851 | S | S | * | * | trans | -152.7 | 118.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1151 | E | 33.2 | Very low | 32.9 | Very low | 166 Ų | 166 | 167.3 Ų | 167.3 | 78% | 0.776 | 85% | 0.847 | S | S | * | * | 60.2 | 96.5 | 74.2 | -67.7 | -174.2 | -165.2 | 0 | 0 | 112.7 | |||||
| 1152 | F | 36.3 | Very low | 33.1 | Very low | 216 Ų | 216 | 162.1 Ų | 162.1 | 95% | 0.947 | 84% | 0.843 | S | S | * | * | -156.1 | 148 | 123.5 | -111.7 | -76.3 | 0 | 0 | 0 | 109.7 | |||||
| 1153 | L | 36.3 | Very low | 33.3 | Very low | 161 Ų | 161 | 165.2 Ų | 165.2 | 84% | 0.843 | 85% | 0.846 | S | S | * | * | trans | -87.2 | 160 | -177.7 | -79.8 | 164.6 | 0 | 0 | 0 | 111.9 | ||||
| 1154 | P | 36.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 171.8 Ų | 171.8 | 77% | 0.773 | 87% | 0.867 | S | S | * | * | trans | -80.6 | 160.8 | -177.6 | 34.1 | -36.6 | 0 | 0 | 0 | 113.6 | ||||
| 1155 | S | 38.5 | Very low | 33.8 | Very low | 197 Ų | 197 | 174.9 Ų | 174.9 | 100% | 1.378 | 88% | 0.879 | S | S | * | * | trans | -115.8 | 0 | 160.3 | -57.2 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 1,155 of 1,155 residues in 499.9 ms
(Link to these results)