| 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 | 60.8 | Low | 84.4 | Confident | 136 Ų | 136 | 89.9 Ų | 89.9 | 67% | 0.67 | 48% | 0.478 | S | S | * | . | 0 | -61 | 0 | -61.6 | -48.9 | 169.1 | 0 | 0 | 112.6 | D3 L4 T5 P142 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.92Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-T5 PolarHBondContact O-N 2.72Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.37Å; M1-P142 HydrophobicContact CE-CB 3.33Å | |||
| 2 | A | 73.2 | Confident | 85.1 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 69% | 0.686 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -52.3 | -44.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L4 T5 E6 | A2-L4 PolarHBondContact O-N 2.82Å; A2-T5 PolarHBondContact O-N 2.89Å; A2-E6 WeakPolarHBondContact O-CB 3.43Å; A2-E6 PolarHBondContact O-N 2.83Å |
| 3 | D | 84.2 | Confident | 85.7 | Confident | 103 Ų | 103 | 87.8 Ų | 87.8 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.2 | -36.2 | 177.5 | -179 | 61 | 0 | 0 | 0 | 113.6 | M1 R7 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.92Å; D3-R7 WeakPolarHBondContact O-CB 3.09Å; D3-R7 WeakPolarHBondContact O-CG 3.32Å; D3-R7 PolarHBondContact O-N 2.74Å; D3-R7 VanDerWaalsContact O-N 3.09Å |
| 4 | L | 84.1 | Confident | 86.1 | Confident | 47 Ų | 47 | 88.4 Ų | 88.4 | 25% | 0.246 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -70.5 | -43.9 | 178 | -175.3 | 66.4 | 0 | 0 | 0 | 110.9 | M1 A2 R7 V8 L137 | M1-L4 PolarHBondContact O-N 3.23Å; A2-L4 PolarHBondContact O-N 2.82Å; L4-R7 PolarHBondContact O-N 3.42Å; L4-V8 WeakPolarHBondContact O-CG2 3.41Å; L4-V8 PolarHBondContact O-N 2.95Å; L4-L137 HydrophobicContact CD1-CB 4.25Å; L4-L137 HydrophobicContact CD1-CD2 3.95Å |
| 5 | T | 87.5 | Confident | 86.6 | Confident | 94 Ų | 94 | 82.7 Ų | 82.7 | 58% | 0.577 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 177.2 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | M1 A2 R7 V8 E9 | M1-T5 PolarHBondContact O-N 2.72Å; M1-T5 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-OG1 3.37Å; A2-T5 PolarHBondContact O-N 2.89Å; T5-R7 PolarHBondContact O-N 3.2Å; T5-V8 PolarHBondContact O-N 2.9Å; T5-E9 WeakPolarHBondContact O-CB 3.22Å; T5-E9 PolarHBondContact O-N 2.61Å |
| 6 | E | 89.4 | Confident | 86.8 | Confident | 123 Ų | 123 | 86.4 Ų | 86.4 | 58% | 0.575 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 176.7 | -174.6 | 177.4 | -179 | 0 | 0 | 111.5 | A2 V8 E9 V10 | A2-E6 WeakPolarHBondContact O-CB 3.43Å; A2-E6 PolarHBondContact O-N 2.83Å; E6-V8 PolarHBondContact O-N 2.91Å; E6-E9 PolarHBondContact O-N 3.3Å; E6-V10 VanDerWaalsContact O-CG2 3.28Å; E6-V10 WeakPolarHBondContact O-CG2 3.38Å; E6-V10 PolarHBondContact O-N 3.31Å |
| 7 | R | 87.7 | Confident | 87 | Confident | 128 Ų | 128 | 87.6 Ų | 87.6 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 177.1 | -72.9 | 173.7 | 64.8 | -173 | -0.7 | 113.1 | D3 L4 T5 L11 | D3-R7 WeakPolarHBondContact O-CB 3.09Å; D3-R7 WeakPolarHBondContact O-CG 3.32Å; D3-R7 PolarHBondContact O-N 2.74Å; D3-R7 VanDerWaalsContact O-N 3.09Å; L4-R7 PolarHBondContact O-N 3.42Å; T5-R7 PolarHBondContact O-N 3.2Å; R7-L11 WeakPolarHBondContact O-CB 3.22Å; R7-L11 WeakPolarHBondContact O-CG 3.46Å; R7-L11 PolarHBondContact O-N 2.87Å; R7-L11 VanDerWaalsContact O-N 3.12Å |
| 8 | V | 90.6 | Very high | 87.4 | Confident | 22 Ų | 22 | 91.7 Ų | 91.7 | 13% | 0.133 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 174.4 | 169.4 | 0 | 0 | 0 | 0 | 109.7 | L4 T5 E6 V10 L11 E12 L134 L137 | L4-V8 WeakPolarHBondContact O-CG2 3.41Å; L4-V8 PolarHBondContact O-N 2.95Å; T5-V8 PolarHBondContact O-N 2.9Å; E6-V8 PolarHBondContact O-N 2.91Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V8-V10 PolarHBondContact O-N 3.46Å; V8-L11 PolarHBondContact O-N 3.36Å; V8-E12 HydrophobicContact CG1-CG 4.2Å; V8-E12 WeakPolarHBondContact O-CB 3.22Å; V8-E12 WeakPolarHBondContact O-CG 3.41Å; V8-E12 PolarHBondContact O-N 2.94Å; V8-L134 HydrophobicContact CG1-CD2 4.12Å; V8-L137 HydrophobicContact CG2-CB 4.26Å |
| 9 | E | 91.2 | Very high | 87.7 | Confident | 112 Ų | 112 | 87.5 Ų | 87.5 | 52% | 0.523 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 179.5 | -177.7 | 175.8 | -173.1 | 0 | 0 | 112.2 | T5 E6 N13 | T5-E9 WeakPolarHBondContact O-CB 3.22Å; T5-E9 PolarHBondContact O-N 2.61Å; E6-E9 PolarHBondContact O-N 3.3Å; E9-N13 WeakPolarHBondContact CG-ND2 3.19Å; E9-N13 VanDerWaalsContact O-CB 3.27Å; E9-N13 WeakPolarHBondContact O-CB 3.45Å; E9-N13 PolarHBondContact O-N 2.92Å; E9-N13 PolarHBondContact O-ND2 2.92Å |
| 10 | V | 89.9 | Confident | 88 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 175.9 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | E6 V8 F14 | E6-V10 VanDerWaalsContact O-CG2 3.28Å; E6-V10 WeakPolarHBondContact O-CG2 3.38Å; E6-V10 PolarHBondContact O-N 3.31Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V8-V10 PolarHBondContact O-N 3.46Å; V10-F14 WeakPolarHBondContact O-CB 3.5Å; V10-F14 PolarHBondContact O-N 3.34Å |
| 11 | L | 90.2 | Very high | 88.2 | Confident | 51 Ų | 51 | 84.1 Ų | 84.1 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.5 | -38.7 | 180 | -75.4 | 174.9 | 0 | 0 | 0 | 112.5 | R7 V8 F14 L15 V130 L134 L137 | R7-L11 WeakPolarHBondContact O-CB 3.22Å; R7-L11 WeakPolarHBondContact O-CG 3.46Å; R7-L11 PolarHBondContact O-N 2.87Å; R7-L11 VanDerWaalsContact O-N 3.12Å; V8-L11 PolarHBondContact O-N 3.36Å; L11-F14 PolarHBondContact O-N 3.16Å; L11-L15 VanDerWaalsContact O-CB 3.29Å; L11-L15 WeakPolarHBondContact O-CB 3.19Å; L11-L15 PolarHBondContact O-N 3.09Å; L11-V130 HydrophobicContact CD2-CG1 4.44Å; L11-L134 HydrophobicContact CB-CD1 4.47Å; L11-L134 HydrophobicContact CB-CD2 3.54Å; L11-L134 HydrophobicContact CB-CG 4.04Å; L11-L134 HydrophobicContact CD1-CD2 4.15Å; L11-L137 HydrophobicContact CD1-CD1 3.46Å; L11-L137 VanDerWaalsContact CD1-CD1 3.46Å |
| 12 | E | 92.1 | Very high | 89.9 | Confident | 78 Ų | 78 | 80.5 Ų | 80.5 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 173.2 | -74.6 | -173.9 | 150.2 | 0 | 0 | 110.8 | V8 F14 L15 Y16 L134 | V8-E12 HydrophobicContact CG1-CG 4.2Å; V8-E12 WeakPolarHBondContact O-CB 3.22Å; V8-E12 WeakPolarHBondContact O-CG 3.41Å; V8-E12 PolarHBondContact O-N 2.94Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 2.88Å; E12-L15 WeakPolarHBondContact O-CB 3.45Å; E12-L15 PolarHBondContact O-N 2.9Å; E12-Y16 HydrophobicContact CB-CD2 4.29Å; E12-Y16 HydrophobicContact CB-CE2 4.34Å; E12-Y16 WeakPolarHBondContact O-CD2 3.43Å; E12-Y16 PolarHBondContact O-N 3.5Å; E12-L134 HydrophobicContact CG-CD1 4.07Å; E12-L134 HydrophobicContact CG-CD2 3.99Å |
| 13 | N | 92.6 | Very high | 91 | Very high | 74 Ų | 74 | 77.9 Ų | 77.9 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 175.9 | -84.2 | -55.1 | 0 | 0 | 0 | 112 | E9 N17 | E9-N13 WeakPolarHBondContact CG-ND2 3.19Å; E9-N13 VanDerWaalsContact O-CB 3.27Å; E9-N13 WeakPolarHBondContact O-CB 3.45Å; E9-N13 PolarHBondContact O-N 2.92Å; E9-N13 PolarHBondContact O-ND2 2.92Å; N13-N17 WeakPolarHBondContact O-CA 3.42Å; N13-N17 WeakPolarHBondContact O-CB 3.39Å; N13-N17 PolarHBondContact O-N 3.04Å; N13-N17 PolarHBondContact O-ND2 2.82Å; N13-N17 PolarHBondContact OD1-ND2 3.41Å |
| 14 | F | 92.3 | Very high | 91.5 | Very high | 96 Ų | 96 | 78.9 Ų | 78.9 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 175.1 | 179.3 | -108.8 | 0 | 0 | 0 | 112.1 | V10 L11 E12 R18 L19 V130 | V10-F14 WeakPolarHBondContact O-CB 3.5Å; V10-F14 PolarHBondContact O-N 3.34Å; L11-F14 PolarHBondContact O-N 3.16Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 2.88Å; F14-R18 HydrophobicContact CD2-CB 4.07Å; F14-R18 HydrophobicContact CD2-CG 4.15Å; F14-R18 HydrophobicContact CE2-CB 4.18Å; F14-R18 HydrophobicContact CE2-CG 4.46Å; F14-R18 VanDerWaalsContact O-CB 3.31Å; F14-R18 WeakPolarHBondContact O-CB 3.4Å; F14-R18 PolarHBondContact O-N 3.42Å; F14-L19 HydrophobicContact CD1-CD1 3.88Å; F14-L19 HydrophobicContact CD1-CG 4.1Å; F14-L19 HydrophobicContact CE1-CD1 3.47Å; F14-L19 VanDerWaalsContact CE1-CD1 3.47Å; F14-L19 HydrophobicContact CE1-CD2 4.06Å; F14-L19 HydrophobicContact CE1-CG 3.61Å; F14-L19 HydrophobicContact CZ-CD1 4.25Å; F14-L19 HydrophobicContact CZ-CD2 4.01Å; F14-L19 HydrophobicContact CZ-CG 3.91Å; F14-L19 PolarHBondContact O-N 3.15Å; F14-V130 HydrophobicContact CD1-CG2 4.31Å; F14-V130 HydrophobicContact CE1-CG2 4.25Å |
| 15 | L | 92.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 80.8 Ų | 80.8 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | I | π-helix | trans | -62.9 | -52.3 | 178 | -177.3 | 65 | 0 | 0 | 0 | 111.6 | L11 E12 L19 N20 V127 V130 K131 L134 | L11-L15 VanDerWaalsContact O-CB 3.29Å; L11-L15 WeakPolarHBondContact O-CB 3.19Å; L11-L15 PolarHBondContact O-N 3.09Å; E12-L15 WeakPolarHBondContact O-CB 3.45Å; E12-L15 PolarHBondContact O-N 2.9Å; L15-L19 HydrophobicContact CD1-CB 4.5Å; L15-L19 HydrophobicContact CD1-CD1 4.17Å; L15-L19 PolarHBondContact O-N 3.2Å; L15-N20 VanDerWaalsContact O-CG 3.31Å; L15-N20 PolarHBondContact O-N 3.1Å; L15-N20 PolarHBondContact O-ND2 3.22Å; L15-V127 HydrophobicContact CD1-CB 4.39Å; L15-V127 HydrophobicContact CD1-CG1 4.02Å; L15-V127 HydrophobicContact CD1-CG2 4.4Å; L15-V130 HydrophobicContact CB-CG1 4.06Å; L15-V130 HydrophobicContact CD1-CB 4.28Å; L15-V130 HydrophobicContact CD1-CG1 4.14Å; L15-V130 HydrophobicContact CG-CG1 4.5Å; L15-K131 HydrophobicContact CD1-CG 4.31Å; L15-K131 HydrophobicContact CD2-CG 3.74Å; L15-L134 HydrophobicContact CD2-CD1 3.97Å |
| 16 | Y | 89.7 | Confident | 92.6 | Very high | 142 Ų | 142 | 76.8 Ų | 76.8 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | I | π-helix | trans | -77 | -47.2 | -173.8 | -70 | -64.7 | 0 | 0 | 0 | 112.9 | E12 N20 | E12-Y16 HydrophobicContact CB-CD2 4.29Å; E12-Y16 HydrophobicContact CB-CE2 4.34Å; E12-Y16 WeakPolarHBondContact O-CD2 3.43Å; E12-Y16 PolarHBondContact O-N 3.5Å; Y16-N20 WeakPolarHBondContact CD1-ND2 3.37Å |
| 17 | N | 91.4 | Very high | 93 | Very high | 107 Ų | 107 | 73.8 Ų | 73.8 | 57% | 0.572 | 36% | 0.358 | S | S | * | . | I | π-helix | trans | -90.1 | -12.6 | -170.7 | -57.3 | -37.8 | 0 | 0 | 0 | 113.7 | N13 | N13-N17 WeakPolarHBondContact O-CA 3.42Å; N13-N17 WeakPolarHBondContact O-CB 3.39Å; N13-N17 PolarHBondContact O-N 3.04Å; N13-N17 PolarHBondContact O-ND2 2.82Å; N13-N17 PolarHBondContact OD1-ND2 3.41Å |
| 18 | R | 92.7 | Very high | 93.5 | Very high | 161 Ų | 161 | 72.8 Ų | 72.8 | 61% | 0.608 | 36% | 0.359 | S | S | * | . | I | π-helix | trans | -118.6 | -71.7 | 174.9 | -64.1 | -71.5 | -153.7 | 178.4 | 3 | 111.3 | F14 N20 S21 D22 | F14-R18 HydrophobicContact CD2-CB 4.07Å; F14-R18 HydrophobicContact CD2-CG 4.15Å; F14-R18 HydrophobicContact CE2-CB 4.18Å; F14-R18 HydrophobicContact CE2-CG 4.46Å; F14-R18 VanDerWaalsContact O-CB 3.31Å; F14-R18 WeakPolarHBondContact O-CB 3.4Å; F14-R18 PolarHBondContact O-N 3.42Å; R18-N20 PolarHBondContact O-N 3.1Å; R18-S21 WeakPolarHBondContact O-CB 3.41Å; R18-S21 PolarHBondContact O-N 3.33Å; R18-S21 VanDerWaalsContact O-N 3.07Å; R18-D22 WeakPolarHBondContact O-CB 3.47Å; R18-D22 VanDerWaalsContact O-CG 3.31Å; R18-D22 PolarHBondContact O-N 3.2Å |
| 19 | L | 93.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 74.4 Ų | 74.4 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | I | π-helix | trans | -61 | -42.7 | -167.4 | -72.3 | 178.5 | 0 | 0 | 0 | 113.6 | F14 L15 L23 I123 H126 V127 V130 | F14-L19 HydrophobicContact CD1-CD1 3.88Å; F14-L19 HydrophobicContact CD1-CG 4.1Å; F14-L19 HydrophobicContact CE1-CD1 3.47Å; F14-L19 VanDerWaalsContact CE1-CD1 3.47Å; F14-L19 HydrophobicContact CE1-CD2 4.06Å; F14-L19 HydrophobicContact CE1-CG 3.61Å; F14-L19 HydrophobicContact CZ-CD1 4.25Å; F14-L19 HydrophobicContact CZ-CD2 4.01Å; F14-L19 HydrophobicContact CZ-CG 3.91Å; F14-L19 PolarHBondContact O-N 3.15Å; L15-L19 HydrophobicContact CD1-CB 4.5Å; L15-L19 HydrophobicContact CD1-CD1 4.17Å; L15-L19 PolarHBondContact O-N 3.2Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 PolarHBondContact O-N 3.46Å; L19-I123 HydrophobicContact CD2-CG2 4.47Å; L19-H126 HydrophobicContact CD1-CB 4.41Å; L19-H126 HydrophobicContact CD2-CB 4.15Å; L19-V127 HydrophobicContact CB-CG2 3.77Å; L19-V127 HydrophobicContact CD1-CG2 4.27Å; L19-V130 HydrophobicContact CD1-CB 4.3Å; L19-V130 HydrophobicContact CD1-CG2 3.79Å |
| 20 | N | 93.3 | Very high | 94.1 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.7 | -35.9 | 177.8 | -72.8 | -25.7 | 0 | 0 | 0 | 112.2 | L15 Y16 R18 K24 | L15-N20 VanDerWaalsContact O-CG 3.31Å; L15-N20 PolarHBondContact O-N 3.1Å; L15-N20 PolarHBondContact O-ND2 3.22Å; Y16-N20 WeakPolarHBondContact CD1-ND2 3.37Å; R18-N20 PolarHBondContact O-N 3.1Å; N20-K24 WeakPolarHBondContact O-CB 3.42Å; N20-K24 PolarHBondContact O-N 3.49Å |
| 21 | S | 93.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 71.8 Ų | 71.8 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.6 | -51.4 | 174.3 | -167.2 | 0 | 0 | 0 | 0 | 110.7 | R18 L23 K24 D25 | R18-S21 WeakPolarHBondContact O-CB 3.41Å; R18-S21 PolarHBondContact O-N 3.33Å; R18-S21 VanDerWaalsContact O-N 3.07Å; S21-L23 PolarHBondContact O-N 3Å; S21-K24 WeakPolarHBondContact O-CB 3.37Å; S21-K24 PolarHBondContact O-N 3.45Å; S21-K24 VanDerWaalsContact O-N 3.08Å; S21-D25 PolarHBondContact O-N 3.21Å |
| 22 | D | 95.5 | Very high | 94.9 | Very high | 61 Ų | 61 | 72.2 Ų | 72.2 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59 | -38.7 | 178 | -67.5 | -18 | 0 | 0 | 0 | 111.2 | R18 A26 I123 | R18-D22 WeakPolarHBondContact O-CB 3.47Å; R18-D22 VanDerWaalsContact O-CG 3.31Å; R18-D22 PolarHBondContact O-N 3.2Å; D22-A26 WeakPolarHBondContact O-CB 3.36Å; D22-A26 PolarHBondContact O-N 2.95Å; D22-I123 HydrophobicContact CB-CD1 4.26Å |
| 23 | L | 96.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 69.3 Ų | 69.3 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 176.3 | 179.8 | 60.7 | 0 | 0 | 0 | 111.4 | L19 S21 T27 V120 I123 N124 V127 | L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 PolarHBondContact O-N 3.46Å; S21-L23 PolarHBondContact O-N 3Å; L23-T27 VanDerWaalsContact O-CB 3.27Å; L23-T27 WeakPolarHBondContact O-CB 3.36Å; L23-T27 PolarHBondContact O-N 3.15Å; L23-T27 PolarHBondContact O-OG1 3.41Å; L23-V120 HydrophobicContact CD1-CG1 4.04Å; L23-I123 HydrophobicContact CB-CG2 3.71Å; L23-I123 HydrophobicContact CD1-CB 4.21Å; L23-I123 HydrophobicContact CD1-CG2 4.12Å; L23-I123 HydrophobicContact CG-CG2 4.45Å; L23-N124 WeakPolarHBondContact CD1-OD1 3.36Å; L23-N124 WeakPolarHBondContact CD2-OD1 3.38Å; L23-V127 HydrophobicContact CD2-CG2 4.47Å |
| 24 | K | 96.2 | Very high | 95.4 | Very high | 124 Ų | 124 | 68.6 Ų | 68.6 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60 | -52.9 | 177.3 | -178.8 | -176.2 | 171.3 | -173.1 | 0 | 110.2 | N20 S21 A26 T27 E28 | N20-K24 WeakPolarHBondContact O-CB 3.42Å; N20-K24 PolarHBondContact O-N 3.49Å; S21-K24 WeakPolarHBondContact O-CB 3.37Å; S21-K24 PolarHBondContact O-N 3.45Å; S21-K24 VanDerWaalsContact O-N 3.08Å; K24-A26 VanDerWaalsContact C-N 3.33Å; K24-A26 PolarHBondContact O-N 3.47Å; K24-T27 PolarHBondContact O-N 3.05Å; K24-T27 VanDerWaalsContact O-N 3.12Å; K24-E28 WeakPolarHBondContact CE-OE1 3.31Å; K24-E28 IonicContact NZ-OE1 3.94Å; K24-E28 WeakPolarHBondContact O-CG 3.46Å; K24-E28 PolarHBondContact O-N 3.01Å |
| 25 | D | 96.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | -178.7 | -63.7 | -17.5 | 0 | 0 | 0 | 111.6 | S21 T27 E28 S29 | S21-D25 PolarHBondContact O-N 3.21Å; D25-T27 VanDerWaalsContact C-N 3.35Å; D25-T27 PolarHBondContact O-N 2.93Å; D25-E28 PolarHBondContact O-N 3.32Å; D25-S29 VanDerWaalsContact O-CB 3.29Å; D25-S29 WeakPolarHBondContact O-CB 3.31Å; D25-S29 PolarHBondContact O-N 2.9Å |
| 26 | A | 97.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 74.2 Ų | 74.2 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D22 K24 L30 Y119 V120 I123 | D22-A26 WeakPolarHBondContact O-CB 3.36Å; D22-A26 PolarHBondContact O-N 2.95Å; K24-A26 VanDerWaalsContact C-N 3.33Å; K24-A26 PolarHBondContact O-N 3.47Å; A26-L30 WeakPolarHBondContact O-CB 3.42Å; A26-L30 PolarHBondContact O-N 3.32Å; A26-Y119 HydrophobicContact CB-CD1 3.73Å; A26-Y119 HydrophobicContact CB-CE1 3.75Å; A26-V120 HydrophobicContact CB-CG2 3.7Å; A26-V120 WeakPolarHBondContact O-CG2 3.48Å; A26-I123 HydrophobicContact CB-CD1 3.72Å |
| 27 | T | 97.6 | Very high | 96.3 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 111 | L23 K24 D25 L30 Q31 | L23-T27 VanDerWaalsContact O-CB 3.27Å; L23-T27 WeakPolarHBondContact O-CB 3.36Å; L23-T27 PolarHBondContact O-N 3.15Å; L23-T27 PolarHBondContact O-OG1 3.41Å; K24-T27 PolarHBondContact O-N 3.05Å; K24-T27 VanDerWaalsContact O-N 3.12Å; D25-T27 VanDerWaalsContact C-N 3.35Å; D25-T27 PolarHBondContact O-N 2.93Å; T27-L30 PolarHBondContact O-N 3.28Å; T27-Q31 WeakPolarHBondContact O-CB 3.44Å; T27-Q31 PolarHBondContact O-N 3.38Å |
| 28 | E | 98.1 | Very high | 96.6 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.9 | -72.3 | 179 | -176.8 | 0 | 0 | 111.5 | K24 D25 L30 Q31 S32 | K24-E28 WeakPolarHBondContact CE-OE1 3.31Å; K24-E28 IonicContact NZ-OE1 3.94Å; K24-E28 WeakPolarHBondContact O-CG 3.46Å; K24-E28 PolarHBondContact O-N 3.01Å; D25-E28 PolarHBondContact O-N 3.32Å; E28-L30 PolarHBondContact O-N 3.06Å; E28-Q31 PolarHBondContact O-N 3.47Å; E28-S32 WeakPolarHBondContact O-CB 3.35Å; E28-S32 PolarHBondContact O-N 2.96Å |
| 29 | S | 97.6 | Very high | 96.8 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 174.8 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | D25 T33 Q116 | D25-S29 VanDerWaalsContact O-CB 3.29Å; D25-S29 WeakPolarHBondContact O-CB 3.31Å; D25-S29 PolarHBondContact O-N 2.9Å; S29-T33 PolarHBondContact O-N 2.89Å; S29-T33 VanDerWaalsContact O-N 3.14Å; S29-T33 PolarHBondContact O-OG1 3.47Å; S29-Q116 PolarHBondContact O-NE2 3.29Å; S29-Q116 PolarHBondContact OG-NE2 2.95Å |
| 30 | L | 98.1 | Very high | 97 | Very high | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 173.6 | 175.4 | 61.2 | 0 | 0 | 0 | 111 | A26 T27 E28 S32 T33 L34 A113 Q116 A117 V120 | A26-L30 WeakPolarHBondContact O-CB 3.42Å; A26-L30 PolarHBondContact O-N 3.32Å; T27-L30 PolarHBondContact O-N 3.28Å; E28-L30 PolarHBondContact O-N 3.06Å; L30-S32 VanDerWaalsContact C-N 3.32Å; L30-S32 PolarHBondContact O-N 3.49Å; L30-T33 WeakPolarHBondContact O-CA 3.42Å; L30-T33 WeakPolarHBondContact O-CB 3.37Å; L30-T33 PolarHBondContact O-N 3.3Å; L30-L34 HydrophobicContact CD1-CD1 4.2Å; L30-L34 HydrophobicContact CD1-CG 4.09Å; L30-L34 HydrophobicContact CG-CD1 4.06Å; L30-L34 HydrophobicContact CG-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 3.05Å; L30-A113 HydrophobicContact CD1-CB 4.32Å; L30-A113 WeakPolarHBondContact CD1-O 3.2Å; L30-Q116 HydrophobicContact CB-CB 4.17Å; L30-Q116 HydrophobicContact CD1-CB 3.92Å; L30-A117 HydrophobicContact CD1-CB 4.24Å; L30-A117 HydrophobicContact CD2-CB 4.11Å; L30-V120 HydrophobicContact CB-CG2 4.43Å; L30-V120 HydrophobicContact CD2-CG2 4.24Å |
| 31 | Q | 98.1 | Very high | 97.1 | Very high | 122 Ų | 122 | 67 Ų | 67 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61 | -41.6 | -178.8 | -172.6 | 60.4 | 28.8 | 0 | 0 | 111.9 | T27 E28 T33 L34 S35 | T27-Q31 WeakPolarHBondContact O-CB 3.44Å; T27-Q31 PolarHBondContact O-N 3.38Å; E28-Q31 PolarHBondContact O-N 3.47Å; Q31-T33 VanDerWaalsContact C-N 3.28Å; Q31-T33 PolarHBondContact O-N 2.96Å; Q31-L34 PolarHBondContact O-N 3.23Å; Q31-S35 WeakPolarHBondContact O-CB 3.4Å; Q31-S35 PolarHBondContact O-N 2.8Å |
| 32 | S | 98 | Very high | 97.3 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 173.8 | -176 | 0 | 0 | 0 | 0 | 111.9 | E28 L30 S35 R36 | E28-S32 WeakPolarHBondContact O-CB 3.35Å; E28-S32 PolarHBondContact O-N 2.96Å; L30-S32 VanDerWaalsContact C-N 3.32Å; L30-S32 PolarHBondContact O-N 3.49Å; S32-S35 PolarHBondContact O-N 3.38Å; S32-R36 WeakPolarHBondContact O-CG 3.25Å; S32-R36 PolarHBondContact O-N 2.87Å; S32-R36 VanDerWaalsContact O-N 3.12Å |
| 33 | T | 98 | Very high | 97.3 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.4 | -37.9 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | S29 L30 Q31 R36 L37 V109 V112 A113 Q116 | S29-T33 PolarHBondContact O-N 2.89Å; S29-T33 VanDerWaalsContact O-N 3.14Å; S29-T33 PolarHBondContact O-OG1 3.47Å; L30-T33 WeakPolarHBondContact O-CA 3.42Å; L30-T33 WeakPolarHBondContact O-CB 3.37Å; L30-T33 PolarHBondContact O-N 3.3Å; Q31-T33 VanDerWaalsContact C-N 3.28Å; Q31-T33 PolarHBondContact O-N 2.96Å; T33-R36 PolarHBondContact O-N 2.82Å; T33-L37 PolarHBondContact O-N 3.29Å; T33-V109 HydrophobicContact CG2-CG1 3.84Å; T33-V112 HydrophobicContact CG2-CB 4.48Å; T33-V112 HydrophobicContact CG2-CG1 4.19Å; T33-A113 HydrophobicContact CG2-CB 4.03Å; T33-Q116 PolarHBondContact OG1-NE2 3.22Å; T33-Q116 VanDerWaalsContact OG1-NE2 3.16Å; T33-Q116 PolarHBondContact OG1-OE1 3.01Å |
| 34 | L | 98.1 | Very high | 97.3 | Very high | 60 Ų | 60 | 68.2 Ų | 68.2 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 173.6 | -68.7 | 176.4 | 0 | 0 | 0 | 111.9 | L30 Q31 R36 L37 D38 A113 | L30-L34 HydrophobicContact CD1-CD1 4.2Å; L30-L34 HydrophobicContact CD1-CG 4.09Å; L30-L34 HydrophobicContact CG-CD1 4.06Å; L30-L34 HydrophobicContact CG-CG 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 3.05Å; Q31-L34 PolarHBondContact O-N 3.23Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.41Å; L34-L37 HydrophobicContact CD2-CD2 4.43Å; L34-L37 WeakPolarHBondContact O-CA 3.32Å; L34-L37 VanDerWaalsContact O-CB 3.29Å; L34-L37 WeakPolarHBondContact O-CB 3.34Å; L34-L37 PolarHBondContact O-N 3.34Å; L34-D38 PolarHBondContact O-N 3.21Å; L34-A113 HydrophobicContact CD2-CB 4.14Å |
| 35 | S | 98 | Very high | 97.3 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 174.1 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | Q31 S32 L37 D38 D39 | Q31-S35 WeakPolarHBondContact O-CB 3.4Å; Q31-S35 PolarHBondContact O-N 2.8Å; S32-S35 PolarHBondContact O-N 3.38Å; S35-L37 VanDerWaalsContact C-N 3.28Å; S35-L37 PolarHBondContact O-N 2.93Å; S35-D38 PolarHBondContact O-N 2.93Å; S35-D38 VanDerWaalsContact O-N 3.14Å; S35-D39 PolarHBondContact O-N 3.12Å |
| 36 | R | 96.8 | Very high | 97.1 | Very high | 159 Ų | 159 | 63.1 Ų | 63.1 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.1 | -35.5 | 173.9 | -70.4 | 175.3 | -175.2 | -156.9 | 1.1 | 113.1 | S32 T33 L34 D38 D39 I40 | S32-R36 WeakPolarHBondContact O-CG 3.25Å; S32-R36 PolarHBondContact O-N 2.87Å; S32-R36 VanDerWaalsContact O-N 3.12Å; T33-R36 PolarHBondContact O-N 2.82Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.41Å; R36-D38 VanDerWaalsContact C-N 3.34Å; R36-D39 PolarHBondContact O-N 3.23Å; R36-I40 WeakPolarHBondContact O-CD1 3.39Å; R36-I40 VanDerWaalsContact O-CG1 3.27Å; R36-I40 WeakPolarHBondContact O-CG1 3.37Å; R36-I40 PolarHBondContact O-N 3.35Å |
| 37 | L | 97.8 | Very high | 97 | Very high | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.2 | 176.7 | 61.2 | 0 | 0 | 0 | 111 | T33 L34 S35 I40 R41 E106 V109 V110 | T33-L37 PolarHBondContact O-N 3.29Å; L34-L37 HydrophobicContact CD2-CD2 4.43Å; L34-L37 WeakPolarHBondContact O-CA 3.32Å; L34-L37 VanDerWaalsContact O-CB 3.29Å; L34-L37 WeakPolarHBondContact O-CB 3.34Å; L34-L37 PolarHBondContact O-N 3.34Å; S35-L37 VanDerWaalsContact C-N 3.28Å; S35-L37 PolarHBondContact O-N 2.93Å; L37-I40 PolarHBondContact O-N 3.45Å; L37-R41 WeakPolarHBondContact O-CG 3.29Å; L37-R41 PolarHBondContact O-N 2.86Å; L37-E106 HydrophobicContact CD1-CB 4.48Å; L37-E106 HydrophobicContact CD1-CG 3.74Å; L37-V109 HydrophobicContact CB-CG1 3.96Å; L37-V109 HydrophobicContact CD1-CG1 4.43Å; L37-V110 HydrophobicContact CD1-CG2 3.7Å; L37-V110 HydrophobicContact CD2-CG2 3.87Å; L37-V110 HydrophobicContact CG-CG2 4.47Å |
| 38 | D | 97.8 | Very high | 96.8 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 176.5 | -66.7 | -25.1 | 0 | 0 | 0 | 111.8 | L34 S35 R36 I40 R41 T42 | L34-D38 PolarHBondContact O-N 3.21Å; S35-D38 PolarHBondContact O-N 2.93Å; S35-D38 VanDerWaalsContact O-N 3.14Å; R36-D38 VanDerWaalsContact C-N 3.34Å; D38-I40 PolarHBondContact O-N 3.43Å; D38-R41 PolarHBondContact O-N 3.47Å; D38-T42 WeakPolarHBondContact O-CB 3.5Å; D38-T42 PolarHBondContact O-N 2.91Å; D38-T42 PolarHBondContact O-OG1 2.87Å |
| 39 | D | 96.8 | Very high | 96.6 | Very high | 95 Ų | 95 | 65.3 Ų | 65.3 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 173.1 | -68.5 | -26.3 | 0 | 0 | 0 | 111.9 | S35 R36 T42 T43 | S35-D39 PolarHBondContact O-N 3.12Å; R36-D39 PolarHBondContact O-N 3.23Å; D39-T42 PolarHBondContact O-N 2.84Å; D39-T43 VanDerWaalsContact O-CB 3.29Å; D39-T43 WeakPolarHBondContact O-CB 3.27Å; D39-T43 PolarHBondContact O-N 2.98Å; D39-T43 PolarHBondContact O-OG1 3.11Å |
| 40 | I | 97.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 64.7 Ų | 64.7 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.3 | -72.9 | 165.1 | 0 | 0 | 0 | 110.4 | R36 L37 D38 T43 S44 L102 L105 E106 V109 | R36-I40 WeakPolarHBondContact O-CD1 3.39Å; R36-I40 VanDerWaalsContact O-CG1 3.27Å; R36-I40 WeakPolarHBondContact O-CG1 3.37Å; R36-I40 PolarHBondContact O-N 3.35Å; L37-I40 PolarHBondContact O-N 3.45Å; D38-I40 PolarHBondContact O-N 3.43Å; I40-T43 PolarHBondContact O-N 2.79Å; I40-S44 VanDerWaalsContact O-CB 3.25Å; I40-S44 WeakPolarHBondContact O-CB 3.42Å; I40-S44 PolarHBondContact O-N 2.88Å; I40-L102 HydrophobicContact CG2-CB 4.44Å; I40-L102 HydrophobicContact CG2-CD2 4.12Å; I40-L105 HydrophobicContact CD1-CB 4.37Å; I40-E106 HydrophobicContact CG2-CB 3.96Å; I40-V109 HydrophobicContact CD1-CB 4.35Å; I40-V109 HydrophobicContact CD1-CG2 3.74Å |
| 41 | R | 97.1 | Very high | 95.9 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 179.7 | -75.1 | 172.1 | 173.2 | 159.3 | -0.1 | 112.3 | L37 D38 T43 S44 S45 E106 | L37-R41 WeakPolarHBondContact O-CG 3.29Å; L37-R41 PolarHBondContact O-N 2.86Å; D38-R41 PolarHBondContact O-N 3.47Å; R41-T43 VanDerWaalsContact C-N 3.34Å; R41-S44 PolarHBondContact O-N 3.5Å; R41-S45 PolarHBondContact O-N 3.26Å; R41-E106 IonicContact CZ-OE1 3.33Å; R41-E106 IonicContact NE-OE1 2.77Å; R41-E106 PolarHBondContact NE-OE1 3.44Å; R41-E106 IonicContact NH2-OE1 2.98Å; R41-E106 PolarHBondContact NH2-OE1 3.37Å |
| 42 | T | 96.9 | Very high | 95.6 | Very high | 97 Ų | 97 | 68 Ų | 68 | 60% | 0.595 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 178.9 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | D38 D39 S44 S45 A46 | D38-T42 WeakPolarHBondContact O-CB 3.5Å; D38-T42 PolarHBondContact O-N 2.91Å; D38-T42 PolarHBondContact O-OG1 2.87Å; D39-T42 PolarHBondContact O-N 2.84Å; T42-S44 PolarHBondContact O-N 2.77Å; T42-S45 PolarHBondContact O-N 3.13Å; T42-A46 PolarHBondContact O-N 3.16Å |
| 43 | T | 95.9 | Very high | 95.1 | Very high | 69 Ų | 69 | 68.8 Ų | 68.8 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | D39 I40 R41 S45 A46 L47 L102 | D39-T43 VanDerWaalsContact O-CB 3.29Å; D39-T43 WeakPolarHBondContact O-CB 3.27Å; D39-T43 PolarHBondContact O-N 2.98Å; D39-T43 PolarHBondContact O-OG1 3.11Å; I40-T43 PolarHBondContact O-N 2.79Å; R41-T43 VanDerWaalsContact C-N 3.34Å; T43-S45 VanDerWaalsContact C-N 3.32Å; T43-S45 PolarHBondContact O-N 3.4Å; T43-A46 PolarHBondContact O-N 2.9Å; T43-L47 WeakPolarHBondContact O-CG 3.32Å; T43-L47 PolarHBondContact O-N 3.39Å; T43-L102 HydrophobicContact CG2-CD1 3.99Å |
| 44 | S | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.007 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 177.8 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | I40 R41 T42 R48 | I40-S44 VanDerWaalsContact O-CB 3.25Å; I40-S44 WeakPolarHBondContact O-CB 3.42Å; I40-S44 PolarHBondContact O-N 2.88Å; R41-S44 PolarHBondContact O-N 3.5Å; T42-S44 PolarHBondContact O-N 2.77Å; S44-R48 WeakPolarHBondContact O-CG 3.44Å; S44-R48 PolarHBondContact O-N 3.27Å; S44-R48 VanDerWaalsContact O-N 3.15Å; S44-R48 PolarHBondContact O-NH1 3.04Å; S44-R48 VanDerWaalsContact OG-CZ 3.28Å; S44-R48 PolarHBondContact OG-NH1 3.32Å; S44-R48 PolarHBondContact OG-NH2 3.37Å |
| 45 | S | 95.7 | Very high | 93.3 | Very high | 58 Ų | 58 | 73 Ų | 73 | 41% | 0.406 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 172.6 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | R41 T42 T43 L47 R48 D49 | R41-S45 PolarHBondContact O-N 3.26Å; T42-S45 PolarHBondContact O-N 3.13Å; T43-S45 VanDerWaalsContact C-N 3.32Å; T43-S45 PolarHBondContact O-N 3.4Å; S45-L47 VanDerWaalsContact C-N 3.31Å; S45-L47 PolarHBondContact O-N 3.47Å; S45-R48 WeakPolarHBondContact O-CB 3.49Å; S45-R48 PolarHBondContact O-N 3.44Å; S45-D49 VanDerWaalsContact O-CG 3.31Å; S45-D49 PolarHBondContact O-N 3.05Å |
| 46 | A | 93.4 | Very high | 92 | Very high | 45 Ų | 45 | 76.4 Ų | 76.4 | 37% | 0.372 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T42 T43 D49 I50 | T42-A46 PolarHBondContact O-N 3.16Å; T43-A46 PolarHBondContact O-N 2.9Å; A46-D49 PolarHBondContact O-N 3.49Å; A46-I50 VanDerWaalsContact O-CG1 3.31Å; A46-I50 WeakPolarHBondContact O-CG1 3.4Å; A46-I50 PolarHBondContact O-N 2.79Å |
| 47 | L | 94.2 | Very high | 91.1 | Very high | 21 Ų | 21 | 72.3 Ų | 72.3 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 174.7 | -67.4 | -173.9 | 0 | 0 | 0 | 112.4 | T43 S45 I50 L51 V81 L95 A98 I99 L102 | T43-L47 WeakPolarHBondContact O-CG 3.32Å; T43-L47 PolarHBondContact O-N 3.39Å; S45-L47 VanDerWaalsContact C-N 3.31Å; S45-L47 PolarHBondContact O-N 3.47Å; L47-I50 HydrophobicContact CD2-CD1 4.44Å; L47-I50 PolarHBondContact O-N 3.48Å; L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 PolarHBondContact O-N 2.88Å; L47-V81 HydrophobicContact CD2-CG1 3.93Å; L47-L95 HydrophobicContact CD2-CD2 4.01Å; L47-A98 HydrophobicContact CD1-CB 3.9Å; L47-I99 HydrophobicContact CB-CD1 4.27Å; L47-I99 HydrophobicContact CB-CG1 3.92Å; L47-I99 HydrophobicContact CD1-CG1 4.45Å; L47-L102 HydrophobicContact CD1-CD1 3.68Å |
| 48 | R | 94.5 | Very high | 90.4 | Very high | 106 Ų | 106 | 76.4 Ų | 76.4 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 173.6 | -73.1 | -176.5 | -170.9 | 94.4 | 4.4 | 111.7 | S44 S45 I50 L51 L52 I99 | S44-R48 WeakPolarHBondContact O-CG 3.44Å; S44-R48 PolarHBondContact O-N 3.27Å; S44-R48 VanDerWaalsContact O-N 3.15Å; S44-R48 PolarHBondContact O-NH1 3.04Å; S44-R48 VanDerWaalsContact OG-CZ 3.28Å; S44-R48 PolarHBondContact OG-NH1 3.32Å; S44-R48 PolarHBondContact OG-NH2 3.37Å; S45-R48 WeakPolarHBondContact O-CB 3.49Å; S45-R48 PolarHBondContact O-N 3.44Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 2.83Å; R48-L51 WeakPolarHBondContact O-CB 3.39Å; R48-L51 PolarHBondContact O-N 3.18Å; R48-L52 WeakPolarHBondContact O-CG 3.29Å; R48-L52 PolarHBondContact O-N 2.75Å; R48-L52 VanDerWaalsContact O-N 3.1Å; R48-I99 HydrophobicContact CG-CD1 3.85Å; R48-I99 HydrophobicContact CG-CG1 4.42Å |
| 49 | D | 92.7 | Very high | 89.9 | Confident | 96 Ų | 96 | 74.4 Ų | 74.4 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 177 | -63.9 | -26.5 | 0 | 0 | 0 | 110.8 | S45 A46 L52 L53 | S45-D49 VanDerWaalsContact O-CG 3.31Å; S45-D49 PolarHBondContact O-N 3.05Å; A46-D49 PolarHBondContact O-N 3.49Å; D49-L52 PolarHBondContact O-N 3.15Å; D49-L53 PolarHBondContact O-N 2.83Å |
| 50 | I | 91.8 | Very high | 89.6 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 23% | 0.226 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 173.8 | -65.7 | 165.4 | 0 | 0 | 0 | 111 | A46 L47 R48 L52 L53 L59 A78 L95 | A46-I50 VanDerWaalsContact O-CG1 3.31Å; A46-I50 WeakPolarHBondContact O-CG1 3.4Å; A46-I50 PolarHBondContact O-N 2.79Å; L47-I50 HydrophobicContact CD2-CD1 4.44Å; L47-I50 PolarHBondContact O-N 3.48Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 2.83Å; I50-L52 PolarHBondContact O-N 3.14Å; I50-L53 VanDerWaalsContact O-CB 3.31Å; I50-L53 WeakPolarHBondContact O-CB 3.25Å; I50-L53 PolarHBondContact O-N 3.47Å; I50-L59 HydrophobicContact CD1-CD2 4.2Å; I50-L59 HydrophobicContact CG1-CD2 4.27Å; I50-L59 HydrophobicContact CG2-CD2 4.32Å; I50-A78 HydrophobicContact CG2-CB 4.15Å; I50-L95 HydrophobicContact CG2-CD1 3.9Å; I50-L95 HydrophobicContact CG2-CD2 4.4Å |
| 51 | L | 90.5 | Very high | 89.1 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -27.4 | 178.5 | -176.9 | 62.7 | 0 | 0 | 0 | 112.9 | L47 R48 L53 L95 E96 I99 | L47-L51 WeakPolarHBondContact O-CB 3.4Å; L47-L51 PolarHBondContact O-N 2.88Å; R48-L51 WeakPolarHBondContact O-CB 3.39Å; R48-L51 PolarHBondContact O-N 3.18Å; L51-L53 VanDerWaalsContact C-N 3.35Å; L51-L95 HydrophobicContact CB-CD1 4.02Å; L51-L95 HydrophobicContact CD1-CB 4.11Å; L51-L95 HydrophobicContact CD1-CD1 3.96Å; L51-E96 WeakPolarHBondContact CD1-OE1 3.37Å; L51-E96 HydrophobicContact CD2-CG 4.37Å; L51-I99 HydrophobicContact CD2-CD1 3.98Å |
| 52 | L | 90.2 | Very high | 88.9 | Confident | 145 Ų | 145 | 76.4 Ų | 76.4 | 76% | 0.759 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -12.5 | 176.3 | -67.7 | 172.2 | 0 | 0 | 0 | 113.4 | R48 D49 I50 | R48-L52 WeakPolarHBondContact O-CG 3.29Å; R48-L52 PolarHBondContact O-N 2.75Å; R48-L52 VanDerWaalsContact O-N 3.1Å; D49-L52 PolarHBondContact O-N 3.15Å; I50-L52 PolarHBondContact O-N 3.14Å |
| 53 | L | 87.9 | Confident | 88.7 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -70.6 | 142.8 | 175.3 | -66.4 | 169.1 | 0 | 0 | 0 | 109.9 | D49 I50 L51 S55 L59 | D49-L53 PolarHBondContact O-N 2.83Å; I50-L53 VanDerWaalsContact O-CB 3.31Å; I50-L53 WeakPolarHBondContact O-CB 3.25Å; I50-L53 PolarHBondContact O-N 3.47Å; L51-L53 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 3.33Å; L53-L59 HydrophobicContact CD1-CD1 4Å |
| 54 | P | 82.9 | Confident | 88.7 | Confident | 77 Ų | 77 | 77.1 Ų | 77.1 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | trans | -61.5 | 133.7 | 172.4 | -15 | 26.5 | 0 | 0 | 0 | 110.1 | T56 V57 | P54-T56 PolarHBondContact O-N 3.05Å; P54-V57 HydrophobicContact CB-CG2 4.03Å; P54-V57 HydrophobicContact CG-CG2 3.97Å; P54-V57 WeakPolarHBondContact O-CB 3.48Å; P54-V57 PolarHBondContact O-N 2.97Å | ||
| 55 | S | 75.2 | Confident | 88.6 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -12.8 | -179.5 | -46.8 | 0 | 0 | 0 | 0 | 114.3 | L53 | L53-S55 PolarHBondContact O-N 3.33Š|
| 56 | T | 71.8 | Confident | 88.5 | Confident | 131 Ų | 131 | 81.7 Ų | 81.7 | 80% | 0.804 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | P54 | P54-T56 PolarHBondContact O-N 3.05Š|
| 57 | V | 77.2 | Confident | 88.4 | Confident | 73 Ų | 73 | 87.3 Ų | 87.3 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -89.6 | 118.9 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | P54 L59 | P54-V57 HydrophobicContact CB-CG2 4.03Å; P54-V57 HydrophobicContact CG-CG2 3.97Å; P54-V57 WeakPolarHBondContact O-CB 3.48Å; P54-V57 PolarHBondContact O-N 2.97Å; V57-L59 PolarHBondContact O-N 3.05Å; V57-L59 VanDerWaalsContact O-N 3.16Å |
| 58 | N | 83.9 | Confident | 88.3 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 118.3 | 169.1 | -69.2 | -16.4 | 0 | 0 | 0 | 109.2 | T60 I74 | N58-T60 PolarHBondContact O-N 2.77Å; N58-I74 HydrophobicContact CB-CG2 4.02Å |
| 59 | L | 87.5 | Confident | 88.3 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 23% | 0.23 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 118.4 | 175.4 | 178.8 | 65.8 | 0 | 0 | 0 | 108.7 | I50 L53 V57 I75 A78 | I50-L59 HydrophobicContact CD1-CD2 4.2Å; I50-L59 HydrophobicContact CG1-CD2 4.27Å; I50-L59 HydrophobicContact CG2-CD2 4.32Å; L53-L59 HydrophobicContact CD1-CD1 4Å; V57-L59 PolarHBondContact O-N 3.05Å; V57-L59 VanDerWaalsContact O-N 3.16Å; L59-I75 HydrophobicContact CB-CB 4.16Å; L59-I75 HydrophobicContact CB-CD1 4.35Å; L59-I75 HydrophobicContact CD2-CD1 3.97Å; L59-I75 HydrophobicContact CG-CD1 4.09Å; L59-I75 PolarHBondContact N-O 3.14Å; L59-I75 WeakPolarHBondContact O-CB 3.39Å; L59-I75 PolarHBondContact O-N 2.8Å; L59-A78 HydrophobicContact CB-CB 4.14Å; L59-A78 HydrophobicContact CD2-CB 4.02Å |
| 60 | T | 88.7 | Confident | 88.4 | Confident | 82 Ų | 82 | 90.2 Ų | 90.2 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.2 | 175.5 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | N58 A73 I74 | N58-T60 PolarHBondContact O-N 2.77Å; T60-A73 WeakPolarHBondContact CA-O 3.36Å; T60-I74 HydrophobicContact CG2-CG1 4.41Å |
| 61 | S | 88.4 | Confident | 88.6 | Confident | 56 Ų | 56 | 90.3 Ų | 90.3 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.3 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | Q72 A73 | S61-Q72 CarbonylContact O-C 3.58Å; S61-Q72 WeakPolarHBondContact O-CA 3.37Å; S61-A73 PolarHBondContact N-O 3.41Å; S61-A73 PolarHBondContact O-N 3.43Å |
| 62 | K | 92.9 | Very high | 88.8 | Confident | 131 Ų | 131 | 93.3 Ų | 93.3 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.8 | 179.8 | -170.7 | -179.8 | 179.3 | -169.9 | 0 | 108.8 | F70 A71 | K62-F70 HydrophobicContact CD-CB 4.31Å; K62-F70 HydrophobicContact CD-CD1 4.29Å; K62-F70 HydrophobicContact CD-CG 4.41Å; K62-F70 VanDerWaalsContact CE-CD1 3.41Å; K62-F70 HydrophobicContact CG-CB 4.09Å; K62-F70 HydrophobicContact CG-CD1 4.28Å; K62-A71 WeakPolarHBondContact CA-O 3.36Å |
| 63 | V | 92.9 | Very high | 88.9 | Confident | 84 Ų | 84 | 88.7 Ų | 88.7 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.6 | 179.9 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | F70 A71 | V63-F70 CarbonylContact O-C 3.57Å; V63-F70 WeakPolarHBondContact O-CA 3.34Å; V63-A71 PolarHBondContact N-O 2.99Å; V63-A71 PolarHBondContact O-N 3.22Å |
| 64 | D | 94.2 | Very high | 89.1 | Confident | 97 Ų | 97 | 90.3 Ų | 90.3 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 127.3 | 172.4 | -168 | -10.6 | 0 | 0 | 0 | 109.7 | G66 F70 | D64-G66 WeakPolarHBondContact OD1-CA 3.24Å; D64-G66 PolarHBondContact OD1-N 3.24Å; D64-F70 HydrophobicContact CB-CD1 3.9Å; D64-F70 HydrophobicContact CB-CE1 3.78Å |
| 65 | L | 94 | Very high | 89.4 | Confident | 120 Ų | 120 | 89.3 Ų | 89.3 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | -0.5 | 177.4 | -55.9 | -179.4 | 0 | 0 | 0 | 112.1 | A69 A71 | L65-A69 HydrophobicContact CB-CB 4.23Å; L65-A69 WeakPolarHBondContact CB-O 3.41Å; L65-A69 PolarHBondContact N-O 2.9Å; L65-A71 HydrophobicContact CD1-CB 4Å; L65-A71 HydrophobicContact CD2-CB 4.12Å; L65-A71 HydrophobicContact CG-CB 4.16Å |
| 66 | G | 93.1 | Very high | 90 | Very high | 34 Ų | 34 | 89.9 Ų | 89.9 | 35% | 0.351 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.7 | 162.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D64 N68 A69 | D64-G66 WeakPolarHBondContact OD1-CA 3.24Å; D64-G66 PolarHBondContact OD1-N 3.24Å; G66-N68 VanDerWaalsContact C-N 3.27Å; G66-N68 PolarHBondContact O-N 3.32Å; G66-A69 VanDerWaalsContact O-CB 3.24Å; G66-A69 WeakPolarHBondContact O-CB 3.49Å; G66-A69 PolarHBondContact O-N 3.14Å |
| 67 | N | 93.1 | Very high | 90.8 | Very high | 163 Ų | 163 | 88 Ų | 88 | 87% | 0.872 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 38.5 | 179.1 | -159.5 | 44 | 0 | 0 | 0 | 114.3 | A69 | N67-A69 PolarHBondContact O-N 3.41Š|
| 68 | N | 91.7 | Very high | 91.3 | Very high | 143 Ų | 143 | 85.6 Ų | 85.6 | 77% | 0.765 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 20.2 | -173.5 | -55.6 | -48.6 | 0 | 0 | 0 | 114.4 | G66 F70 | G66-N68 VanDerWaalsContact C-N 3.27Å; G66-N68 PolarHBondContact O-N 3.32Å; N68-F70 WeakPolarHBondContact O-CD2 3.42Å; N68-F70 WeakPolarHBondContact O-CE2 3.48Å |
| 69 | A | 94.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 84.3 Ų | 84.3 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | L65 G66 N67 | L65-A69 HydrophobicContact CB-CB 4.23Å; L65-A69 WeakPolarHBondContact CB-O 3.41Å; L65-A69 PolarHBondContact N-O 2.9Å; G66-A69 VanDerWaalsContact O-CB 3.24Å; G66-A69 WeakPolarHBondContact O-CB 3.49Å; G66-A69 PolarHBondContact O-N 3.14Å; N67-A69 PolarHBondContact O-N 3.41Å |
| 70 | F | 95.1 | Very high | 91.9 | Very high | 96 Ų | 96 | 84.5 Ų | 84.5 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.9 | -177.5 | -59.1 | -89.3 | 0 | 0 | 0 | 110.9 | K62 V63 D64 N68 | K62-F70 HydrophobicContact CD-CB 4.31Å; K62-F70 HydrophobicContact CD-CD1 4.29Å; K62-F70 HydrophobicContact CD-CG 4.41Å; K62-F70 VanDerWaalsContact CE-CD1 3.41Å; K62-F70 HydrophobicContact CG-CB 4.09Å; K62-F70 HydrophobicContact CG-CD1 4.28Å; V63-F70 CarbonylContact O-C 3.57Å; V63-F70 WeakPolarHBondContact O-CA 3.34Å; D64-F70 HydrophobicContact CB-CD1 3.9Å; D64-F70 HydrophobicContact CB-CE1 3.78Å; N68-F70 WeakPolarHBondContact O-CD2 3.42Å; N68-F70 WeakPolarHBondContact O-CE2 3.48Å |
| 71 | A | 95.5 | Very high | 92.1 | Very high | 45 Ų | 45 | 82.1 Ų | 82.1 | 37% | 0.372 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | K62 V63 L65 | K62-A71 WeakPolarHBondContact CA-O 3.36Å; V63-A71 PolarHBondContact N-O 2.99Å; V63-A71 PolarHBondContact O-N 3.22Å; L65-A71 HydrophobicContact CD1-CB 4Å; L65-A71 HydrophobicContact CD2-CB 4.12Å; L65-A71 HydrophobicContact CG-CB 4.16Å |
| 72 | Q | 95 | Very high | 92.4 | Very high | 132 Ų | 132 | 86 Ų | 86 | 62% | 0.617 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.9 | 172.5 | -172.7 | 171.5 | 10.1 | 0 | 0 | 109.5 | S61 | S61-Q72 CarbonylContact O-C 3.58Å; S61-Q72 WeakPolarHBondContact O-CA 3.37Å |
| 73 | A | 91.8 | Very high | 92.5 | Very high | 49 Ų | 49 | 81.7 Ų | 81.7 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | T60 S61 | T60-A73 WeakPolarHBondContact CA-O 3.36Å; S61-A73 PolarHBondContact N-O 3.41Å; S61-A73 PolarHBondContact O-N 3.43Å |
| 74 | I | 91.6 | Very high | 92.6 | Very high | 112 Ų | 112 | 83.7 Ų | 83.7 | 57% | 0.574 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.2 | 170.7 | -56.2 | 176.1 | 0 | 0 | 0 | 106.2 | N58 T60 P76 | N58-I74 HydrophobicContact CB-CG2 4.02Å; T60-I74 HydrophobicContact CG2-CG1 4.41Å; I74-P76 WeakPolarHBondContact O-CD 3.46Å |
| 75 | I | 90.2 | Very high | 92.5 | Very high | 55 Ų | 55 | 82.7 Ų | 82.7 | 28% | 0.282 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 107.2 | -176.6 | -59.2 | 150.8 | 0 | 0 | 0 | 106.7 | L59 D77 A78 | L59-I75 HydrophobicContact CB-CB 4.16Å; L59-I75 HydrophobicContact CB-CD1 4.35Å; L59-I75 HydrophobicContact CD2-CD1 3.97Å; L59-I75 HydrophobicContact CG-CD1 4.09Å; L59-I75 PolarHBondContact N-O 3.14Å; L59-I75 WeakPolarHBondContact O-CB 3.39Å; L59-I75 PolarHBondContact O-N 2.8Å; I75-D77 WeakPolarHBondContact CG2-O 3.49Å; I75-A78 HydrophobicContact CG2-CB 4.06Å |
| 76 | P | 87.5 | Confident | 92.5 | Very high | 100 Ų | 100 | 81.8 Ų | 81.8 | 65% | 0.649 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -74.2 | -29.7 | -176.4 | 29.1 | -34.3 | 0 | 0 | 0 | 112.6 | I74 | I74-P76 WeakPolarHBondContact O-CD 3.46Š|
| 77 | D | 87.5 | Confident | 92.6 | Very high | 90 Ų | 90 | 85.2 Ų | 85.2 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | trans | -132 | 114.4 | 175.7 | -175.4 | -1.3 | 0 | 0 | 0 | 108.5 | I75 N79 | I75-D77 WeakPolarHBondContact CG2-O 3.49Å; D77-N79 VanDerWaalsContact OD1-CB 3.22Å; D77-N79 WeakPolarHBondContact OD1-CB 3.44Å; D77-N79 PolarHBondContact OD1-N 2.99Å; D77-N79 PolarHBondContact OD1-ND2 3.25Å | ||
| 78 | A | 88.8 | Confident | 92.6 | Very high | 23 Ų | 23 | 82.8 Ų | 82.8 | 19% | 0.19 | 47% | 0.469 | C | S | . | . | trans | -105.9 | 15.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I50 L59 I75 T80 L95 | I50-A78 HydrophobicContact CG2-CB 4.15Å; L59-A78 HydrophobicContact CB-CB 4.14Å; L59-A78 HydrophobicContact CD2-CB 4.02Å; I75-A78 HydrophobicContact CG2-CB 4.06Å; A78-T80 VanDerWaalsContact C-N 3.26Å; A78-T80 PolarHBondContact O-N 3.05Å; A78-L95 WeakPolarHBondContact O-CD1 3.4Å | ||
| 79 | N | 90 | Very high | 92.8 | Very high | 69 Ų | 69 | 80 Ų | 80 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -74.8 | -14.8 | -178.5 | -63.8 | -45.6 | 0 | 0 | 0 | 113.5 | D77 L95 | D77-N79 VanDerWaalsContact OD1-CB 3.22Å; D77-N79 WeakPolarHBondContact OD1-CB 3.44Å; D77-N79 PolarHBondContact OD1-N 2.99Å; D77-N79 PolarHBondContact OD1-ND2 3.25Å; N79-L95 PolarHBondContact O-N 2.95Å |
| 80 | T | 92.9 | Very high | 93 | Very high | 48 Ų | 48 | 84.1 Ų | 84.1 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.1 | 177.6 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | A78 E92 M93 | A78-T80 VanDerWaalsContact C-N 3.26Å; A78-T80 PolarHBondContact O-N 3.05Å; T80-E92 WeakPolarHBondContact CB-OE1 3.47Å; T80-E92 HydrophobicContact CG2-CG 4.29Å; T80-E92 PolarHBondContact OG1-OE1 2.95Å; T80-M93 CarbonylContact C-O 3.52Å; T80-M93 VanDerWaalsContact CA-O 3.22Å; T80-M93 WeakPolarHBondContact CA-O 3.39Å; T80-M93 WeakPolarHBondContact CB-O 3.48Å |
| 81 | V | 94.2 | Very high | 93.1 | Very high | 32 Ų | 32 | 82.4 Ų | 82.4 | 19% | 0.194 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.6 | 175.8 | -68.8 | 0 | 0 | 0 | 0 | 110.6 | L47 V83 E92 M93 L95 A98 | L47-V81 HydrophobicContact CD2-CG1 3.93Å; V81-V83 HydrophobicContact CG2-CG2 4.33Å; V81-E92 WeakPolarHBondContact O-CA 3.37Å; V81-M93 PolarHBondContact N-O 3.5Å; V81-M93 PolarHBondContact O-N 2.93Å; V81-L95 HydrophobicContact CG1-CD2 3.65Å; V81-A98 HydrophobicContact CG2-CB 3.5Å; V81-A98 VanDerWaalsContact CG2-CB 3.5Å |
| 82 | F | 95.1 | Very high | 93.1 | Very high | 136 Ų | 136 | 85.6 Ų | 85.6 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 114 | 172.8 | -71.1 | -79.9 | 0 | 0 | 0 | 110.5 | Y90 V91 E92 | F82-Y90 HydrophobicContact CB-CD1 4.33Å; F82-V91 WeakPolarHBondContact CA-O 3.34Å; F82-E92 HydrophobicContact CD1-CB 4.01Å; F82-E92 HydrophobicContact CE1-CB 3.64Å; F82-E92 HydrophobicContact CE1-CG 4.05Å; F82-E92 HydrophobicContact CZ-CB 4.23Å; F82-E92 HydrophobicContact CZ-CG 4.14Å |
| 83 | V | 94.9 | Very high | 93.2 | Very high | 41 Ų | 41 | 80.9 Ų | 80.9 | 25% | 0.248 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.6 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | V81 V85 Y90 V91 M93 L101 | V81-V83 HydrophobicContact CG2-CG2 4.33Å; V83-V85 PolarHBondContact O-N 2.87Å; V83-Y90 WeakPolarHBondContact O-CA 3.49Å; V83-V91 PolarHBondContact N-O 3.12Å; V83-V91 PolarHBondContact O-N 2.79Å; V83-M93 HydrophobicContact CB-SD 4.21Å; V83-M93 HydrophobicContact CG2-SD 3.98Å; V83-L101 HydrophobicContact CG1-CD2 4.08Å |
| 84 | K | 94.9 | Very high | 93.4 | Very high | 126 Ų | 126 | 81 Ų | 81 | 55% | 0.548 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 118 | 175.2 | -168.6 | 179 | -175.3 | 172.8 | 0 | 110.2 | Y90 | K84-Y90 HydrophobicContact CB-CD1 3.84Å; K84-Y90 HydrophobicContact CB-CE1 3.6Å; K84-Y90 HydrophobicContact CD-CE1 4.1Å; K84-Y90 HydrophobicContact CG-CD1 4.28Å; K84-Y90 HydrophobicContact CG-CE1 3.87Å; K84-Y90 HydrophobicContact CG-CE2 4.44Å |
| 85 | V | 92.5 | Very high | 93.5 | Very high | 76 Ų | 76 | 75.8 Ų | 75.8 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -28.6 | -178.1 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | V83 I89 V91 | V83-V85 PolarHBondContact O-N 2.87Å; V85-I89 HydrophobicContact CG2-CB 4.26Å; V85-I89 HydrophobicContact CG2-CG2 3.82Å; V85-I89 PolarHBondContact N-O 3.37Å; V85-I89 VanDerWaalsContact N-O 3.09Å; V85-V91 HydrophobicContact CG1-CB 4.48Å; V85-V91 HydrophobicContact CG1-CG2 3.97Å; V85-V91 HydrophobicContact CG2-CG2 3.76Å |
| 86 | L | 92.6 | Very high | 93.7 | Very high | 101 Ų | 101 | 78.5 Ų | 78.5 | 53% | 0.529 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 168.5 | 179.2 | -72.9 | 172.4 | 0 | 0 | 0 | 110.1 | S88 I89 | L86-S88 PolarHBondContact O-N 3.43Å; L86-S88 VanDerWaalsContact O-N 3.1Å; L86-I89 HydrophobicContact CB-CB 4.03Å; L86-I89 HydrophobicContact CB-CD1 4.06Å; L86-I89 HydrophobicContact CB-CG1 4.28Å; L86-I89 HydrophobicContact CD1-CD1 3.86Å; L86-I89 PolarHBondContact N-O 3.4Å; L86-I89 PolarHBondContact O-N 3.39Å; L86-I89 VanDerWaalsContact O-N 3.15Å |
| 87 | P | 95.2 | Very high | 94.1 | Very high | 107 Ų | 107 | 78.6 Ų | 78.6 | 70% | 0.695 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 121.2 | 166.8 | -24.8 | 35.3 | 0 | 0 | 0 | 109.8 | I89 | P87-I89 PolarHBondContact O-N 3.04Š|
| 88 | S | 94 | Very high | 94.6 | Very high | 112 Ų | 112 | 74.4 Ų | 74.4 | 78% | 0.783 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 11.9 | 179.3 | -47.7 | 0 | 0 | 0 | 0 | 117 | L86 | L86-S88 PolarHBondContact O-N 3.43Å; L86-S88 VanDerWaalsContact O-N 3.1Å |
| 89 | I | 96.4 | Very high | 94.9 | Very high | 85 Ų | 85 | 74.3 Ų | 74.3 | 44% | 0.436 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.7 | 177.1 | -56.2 | 174.3 | 0 | 0 | 0 | 109.9 | V85 L86 P87 | V85-I89 HydrophobicContact CG2-CB 4.26Å; V85-I89 HydrophobicContact CG2-CG2 3.82Å; V85-I89 PolarHBondContact N-O 3.37Å; V85-I89 VanDerWaalsContact N-O 3.09Å; L86-I89 HydrophobicContact CB-CB 4.03Å; L86-I89 HydrophobicContact CB-CD1 4.06Å; L86-I89 HydrophobicContact CB-CG1 4.28Å; L86-I89 HydrophobicContact CD1-CD1 3.86Å; L86-I89 PolarHBondContact N-O 3.4Å; L86-I89 PolarHBondContact O-N 3.39Å; L86-I89 VanDerWaalsContact O-N 3.15Å; P87-I89 PolarHBondContact O-N 3.04Å |
| 90 | Y | 97.1 | Very high | 95.2 | Very high | 132 Ų | 132 | 74.7 Ų | 74.7 | 52% | 0.518 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.4 | 176 | -64.6 | -99 | 0 | 0 | 0 | 108.5 | F82 V83 K84 | F82-Y90 HydrophobicContact CB-CD1 4.33Å; V83-Y90 WeakPolarHBondContact O-CA 3.49Å; K84-Y90 HydrophobicContact CB-CD1 3.84Å; K84-Y90 HydrophobicContact CB-CE1 3.6Å; K84-Y90 HydrophobicContact CD-CE1 4.1Å; K84-Y90 HydrophobicContact CG-CD1 4.28Å; K84-Y90 HydrophobicContact CG-CE1 3.87Å; K84-Y90 HydrophobicContact CG-CE2 4.44Å |
| 91 | V | 96.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 75 Ų | 75 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.5 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | F82 V83 V85 M93 | F82-V91 WeakPolarHBondContact CA-O 3.34Å; V83-V91 PolarHBondContact N-O 3.12Å; V83-V91 PolarHBondContact O-N 2.79Å; V85-V91 HydrophobicContact CG1-CB 4.48Å; V85-V91 HydrophobicContact CG1-CG2 3.97Å; V85-V91 HydrophobicContact CG2-CG2 3.76Å; V91-M93 HydrophobicContact CB-CG 4.47Å; V91-M93 HydrophobicContact CG1-CG 3.87Å; V91-M93 HydrophobicContact CG1-SD 4.47Å |
| 92 | E | 96.6 | Very high | 95.5 | Very high | 111 Ų | 111 | 74.5 Ų | 74.5 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.6 | 168.7 | -169.5 | 173.6 | -177.7 | 0 | 0 | 108.8 | T80 V81 F82 | T80-E92 WeakPolarHBondContact CB-OE1 3.47Å; T80-E92 HydrophobicContact CG2-CG 4.29Å; T80-E92 PolarHBondContact OG1-OE1 2.95Å; V81-E92 WeakPolarHBondContact O-CA 3.37Å; F82-E92 HydrophobicContact CD1-CB 4.01Å; F82-E92 HydrophobicContact CE1-CB 3.64Å; F82-E92 HydrophobicContact CE1-CG 4.05Å; F82-E92 HydrophobicContact CZ-CB 4.23Å; F82-E92 HydrophobicContact CZ-CG 4.14Å |
| 93 | M | 96.1 | Very high | 95.6 | Very high | 34 Ų | 34 | 71.1 Ų | 71.1 | 17% | 0.167 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.7 | -179.5 | -59.2 | -178.2 | 67.9 | 0 | 0 | 108.8 | T80 V81 V83 V91 E97 A98 L101 | T80-M93 CarbonylContact C-O 3.52Å; T80-M93 VanDerWaalsContact CA-O 3.22Å; T80-M93 WeakPolarHBondContact CA-O 3.39Å; T80-M93 WeakPolarHBondContact CB-O 3.48Å; V81-M93 PolarHBondContact N-O 3.5Å; V81-M93 PolarHBondContact O-N 2.93Å; V83-M93 HydrophobicContact CB-SD 4.21Å; V83-M93 HydrophobicContact CG2-SD 3.98Å; V91-M93 HydrophobicContact CB-CG 4.47Å; V91-M93 HydrophobicContact CG1-CG 3.87Å; V91-M93 HydrophobicContact CG1-SD 4.47Å; M93-E97 HydrophobicContact CB-CB 4.23Å; M93-E97 HydrophobicContact CE-CB 3.72Å; M93-A98 HydrophobicContact CB-CB 4.48Å; M93-L101 HydrophobicContact CE-CB 4.29Å; M93-L101 HydrophobicContact CE-CD2 4.19Å; M93-L101 HydrophobicContact SD-CD2 3.97Å |
| 94 | T | 95.5 | Very high | 95.7 | Very high | 51 Ų | 51 | 75.3 Ų | 75.3 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 158 | 165.9 | 59 | 0 | 0 | 0 | 0 | 110.4 | E96 E97 A98 | T94-E96 PolarHBondContact O-N 3.14Å; T94-E97 PolarHBondContact N-OE2 3.42Å; T94-E97 PolarHBondContact O-N 3.36Å; T94-E97 WeakPolarHBondContact OG1-CB 3.39Å; T94-E97 WeakPolarHBondContact OG1-CG 3.46Å; T94-E97 PolarHBondContact OG1-N 3.16Å; T94-E97 PolarHBondContact OG1-OE2 2.94Å; T94-A98 WeakPolarHBondContact O-CB 3.45Å; T94-A98 PolarHBondContact O-N 3.07Å |
| 95 | L | 94.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.1 | -40.3 | 175.7 | -69.4 | 176.8 | 0 | 0 | 0 | 111.7 | L47 I50 L51 A78 N79 V81 A98 I99 | L47-L95 HydrophobicContact CD2-CD2 4.01Å; I50-L95 HydrophobicContact CG2-CD1 3.9Å; I50-L95 HydrophobicContact CG2-CD2 4.4Å; L51-L95 HydrophobicContact CB-CD1 4.02Å; L51-L95 HydrophobicContact CD1-CB 4.11Å; L51-L95 HydrophobicContact CD1-CD1 3.96Å; A78-L95 WeakPolarHBondContact O-CD1 3.4Å; N79-L95 PolarHBondContact O-N 2.95Å; V81-L95 HydrophobicContact CG1-CD2 3.65Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-I99 WeakPolarHBondContact O-CB 3.46Å; L95-I99 WeakPolarHBondContact O-CD1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.13Å; L95-I99 PolarHBondContact O-N 2.84Å |
| 96 | E | 94.8 | Very high | 96 | Very high | 111 Ų | 111 | 71.5 Ų | 71.5 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 178.4 | -65.5 | 86.7 | 166.4 | 0 | 0 | 112.1 | L51 T94 A98 I99 D100 | L51-E96 WeakPolarHBondContact CD1-OE1 3.37Å; L51-E96 HydrophobicContact CD2-CG 4.37Å; T94-E96 PolarHBondContact O-N 3.14Å; E96-A98 VanDerWaalsContact C-N 3.31Å; E96-A98 PolarHBondContact O-N 3.43Å; E96-I99 PolarHBondContact O-N 3.5Å; E96-D100 WeakPolarHBondContact O-CB 3.41Å; E96-D100 PolarHBondContact O-N 2.94Å |
| 97 | E | 96.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 69.1 Ų | 69.1 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.8 | -72.2 | 166.3 | 147.3 | 0 | 0 | 111.5 | M93 T94 D100 L101 | M93-E97 HydrophobicContact CB-CB 4.23Å; M93-E97 HydrophobicContact CE-CB 3.72Å; T94-E97 PolarHBondContact N-OE2 3.42Å; T94-E97 PolarHBondContact O-N 3.36Å; T94-E97 WeakPolarHBondContact OG1-CB 3.39Å; T94-E97 WeakPolarHBondContact OG1-CG 3.46Å; T94-E97 PolarHBondContact OG1-N 3.16Å; T94-E97 PolarHBondContact OG1-OE2 2.94Å; E97-D100 PolarHBondContact O-N 2.86Å; E97-L101 WeakPolarHBondContact O-CB 3.39Å; E97-L101 PolarHBondContact O-N 2.84Å |
| 98 | A | 96.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.017 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L47 V81 M93 T94 L95 E96 L101 L102 | L47-A98 HydrophobicContact CD1-CB 3.9Å; V81-A98 HydrophobicContact CG2-CB 3.5Å; V81-A98 VanDerWaalsContact CG2-CB 3.5Å; M93-A98 HydrophobicContact CB-CB 4.48Å; T94-A98 WeakPolarHBondContact O-CB 3.45Å; T94-A98 PolarHBondContact O-N 3.07Å; L95-A98 PolarHBondContact O-N 3.48Å; E96-A98 VanDerWaalsContact C-N 3.31Å; E96-A98 PolarHBondContact O-N 3.43Å; A98-L101 PolarHBondContact O-N 3.32Å; A98-L102 WeakPolarHBondContact O-CG 3.42Å; A98-L102 PolarHBondContact O-N 2.93Å |
| 99 | I | 96.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.108 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.9 | -70.4 | 161.4 | 0 | 0 | 0 | 110.5 | L47 R48 L51 L95 E96 L101 L102 V103 | L47-I99 HydrophobicContact CB-CD1 4.27Å; L47-I99 HydrophobicContact CB-CG1 3.92Å; L47-I99 HydrophobicContact CD1-CG1 4.45Å; R48-I99 HydrophobicContact CG-CD1 3.85Å; R48-I99 HydrophobicContact CG-CG1 4.42Å; L51-I99 HydrophobicContact CD2-CD1 3.98Å; L95-I99 WeakPolarHBondContact O-CB 3.46Å; L95-I99 WeakPolarHBondContact O-CD1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.13Å; L95-I99 PolarHBondContact O-N 2.84Å; E96-I99 PolarHBondContact O-N 3.5Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 PolarHBondContact O-N 2.88Å; I99-L102 PolarHBondContact O-N 3.42Å; I99-V103 WeakPolarHBondContact O-CG2 3.5Å; I99-V103 PolarHBondContact O-N 3.28Å |
| 100 | D | 96.9 | Very high | 96.7 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.9 | 177.2 | 60.7 | 0 | 0 | 0 | 111.9 | E96 E97 L102 V103 K104 | E96-D100 WeakPolarHBondContact O-CB 3.41Å; E96-D100 PolarHBondContact O-N 2.94Å; E97-D100 PolarHBondContact O-N 2.86Å; D100-L102 PolarHBondContact O-N 3Å; D100-V103 PolarHBondContact O-N 2.87Å; D100-K104 WeakPolarHBondContact O-CG 3.4Å; D100-K104 PolarHBondContact O-N 2.9Å; D100-K104 IonicContact OD1-NZ 3.81Å; D100-K104 WeakPolarHBondContact OD2-CE 3.46Å; D100-K104 IonicContact OD2-NZ 2.61Å; D100-K104 PolarHBondContact OD2-NZ 3.5Å |
| 101 | L | 96.2 | Very high | 96.7 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 173 | 179.8 | 66.4 | 0 | 0 | 0 | 111.7 | V83 M93 E97 A98 I99 V103 K104 L105 | V83-L101 HydrophobicContact CG1-CD2 4.08Å; M93-L101 HydrophobicContact CE-CB 4.29Å; M93-L101 HydrophobicContact CE-CD2 4.19Å; M93-L101 HydrophobicContact SD-CD2 3.97Å; E97-L101 WeakPolarHBondContact O-CB 3.39Å; E97-L101 PolarHBondContact O-N 2.84Å; A98-L101 PolarHBondContact O-N 3.32Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 PolarHBondContact O-N 2.88Å; L101-V103 PolarHBondContact O-N 3.5Å; L101-K104 PolarHBondContact O-N 2.73Å; L101-L105 HydrophobicContact CD1-CD1 4.38Å; L101-L105 HydrophobicContact CD2-CD1 4.49Å; L101-L105 HydrophobicContact CG-CD1 3.93Å; L101-L105 WeakPolarHBondContact O-CB 3.46Å; L101-L105 WeakPolarHBondContact O-CG 3.27Å; L101-L105 PolarHBondContact O-N 3.28Å |
| 102 | L | 96.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 178 | -72.7 | 170 | 0 | 0 | 0 | 112.3 | I40 T43 L47 A98 I99 D100 K104 L105 E106 | I40-L102 HydrophobicContact CG2-CB 4.44Å; I40-L102 HydrophobicContact CG2-CD2 4.12Å; T43-L102 HydrophobicContact CG2-CD1 3.99Å; L47-L102 HydrophobicContact CD1-CD1 3.68Å; A98-L102 WeakPolarHBondContact O-CG 3.42Å; A98-L102 PolarHBondContact O-N 2.93Å; I99-L102 PolarHBondContact O-N 3.42Å; D100-L102 PolarHBondContact O-N 3Å; L102-K104 VanDerWaalsContact C-N 3.35Å; L102-L105 HydrophobicContact CD2-CD1 4.38Å; L102-L105 PolarHBondContact O-N 2.94Å; L102-E106 WeakPolarHBondContact O-CB 3.37Å; L102-E106 PolarHBondContact O-N 3.17Å |
| 103 | V | 96.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | I99 D100 L101 E106 A107 | I99-V103 WeakPolarHBondContact O-CG2 3.5Å; I99-V103 PolarHBondContact O-N 3.28Å; D100-V103 PolarHBondContact O-N 2.87Å; L101-V103 PolarHBondContact O-N 3.5Å; V103-E106 PolarHBondContact O-N 3.38Å; V103-A107 PolarHBondContact O-N 2.9Å |
| 104 | K | 97.5 | Very high | 97 | Very high | 128 Ų | 128 | 60.7 Ų | 60.7 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 175.6 | -69.9 | 166.4 | 179.4 | 166.2 | 0 | 111.9 | D100 L101 L102 A107 C108 | D100-K104 WeakPolarHBondContact O-CG 3.4Å; D100-K104 PolarHBondContact O-N 2.9Å; D100-K104 IonicContact OD1-NZ 3.81Å; D100-K104 WeakPolarHBondContact OD2-CE 3.46Å; D100-K104 IonicContact OD2-NZ 2.61Å; D100-K104 PolarHBondContact OD2-NZ 3.5Å; L101-K104 PolarHBondContact O-N 2.73Å; L102-K104 VanDerWaalsContact C-N 3.35Å; K104-A107 PolarHBondContact O-N 3.19Å; K104-C108 PolarHBondContact O-N 3.5Å; K104-C108 VanDerWaalsContact O-N 3.12Å |
| 105 | L | 96.5 | Very high | 97.1 | Very high | 75 Ų | 75 | 68 Ų | 68 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 175.2 | -81.2 | 161.9 | 0 | 0 | 0 | 111.5 | I40 L101 L102 A107 C108 V109 | I40-L105 HydrophobicContact CD1-CB 4.37Å; L101-L105 HydrophobicContact CD1-CD1 4.38Å; L101-L105 HydrophobicContact CD2-CD1 4.49Å; L101-L105 HydrophobicContact CG-CD1 3.93Å; L101-L105 WeakPolarHBondContact O-CB 3.46Å; L101-L105 WeakPolarHBondContact O-CG 3.27Å; L101-L105 PolarHBondContact O-N 3.28Å; L102-L105 HydrophobicContact CD2-CD1 4.38Å; L102-L105 PolarHBondContact O-N 2.94Å; L105-A107 VanDerWaalsContact C-N 3.35Å; L105-A107 PolarHBondContact O-N 2.99Å; L105-C108 WeakPolarHBondContact O-CB 2.88Å; L105-C108 PolarHBondContact O-N 3.28Å; L105-C108 VanDerWaalsContact O-N 3.11Å; L105-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 PolarHBondContact O-N 3.1Å |
| 106 | E | 97.8 | Very high | 97.3 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.7 | -51.1 | 175.3 | 172.2 | 166.7 | -162.8 | 0 | 0 | 110.5 | L37 I40 R41 L102 V103 C108 V109 V110 | L37-E106 HydrophobicContact CD1-CB 4.48Å; L37-E106 HydrophobicContact CD1-CG 3.74Å; I40-E106 HydrophobicContact CG2-CB 3.96Å; R41-E106 IonicContact CZ-OE1 3.33Å; R41-E106 IonicContact NE-OE1 2.77Å; R41-E106 PolarHBondContact NE-OE1 3.44Å; R41-E106 IonicContact NH2-OE1 2.98Å; R41-E106 PolarHBondContact NH2-OE1 3.37Å; L102-E106 WeakPolarHBondContact O-CB 3.37Å; L102-E106 PolarHBondContact O-N 3.17Å; V103-E106 PolarHBondContact O-N 3.38Å; E106-C108 PolarHBondContact O-N 2.91Å; E106-V109 PolarHBondContact O-N 2.68Å; E106-V110 HydrophobicContact CG-CG2 4.1Å; E106-V110 WeakPolarHBondContact O-CB 3.41Å; E106-V110 VanDerWaalsContact O-CG2 3.25Å; E106-V110 WeakPolarHBondContact O-CG2 3.46Å; E106-V110 PolarHBondContact O-N 2.92Å |
| 107 | A | 98 | Very high | 97.4 | Very high | 51 Ų | 51 | 66 Ų | 66 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59 | -35.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | V103 K104 L105 K111 | V103-A107 PolarHBondContact O-N 2.9Å; K104-A107 PolarHBondContact O-N 3.19Å; L105-A107 VanDerWaalsContact C-N 3.35Å; L105-A107 PolarHBondContact O-N 2.99Å; A107-K111 VanDerWaalsContact O-CG 3.32Å; A107-K111 WeakPolarHBondContact O-CG 3.18Å; A107-K111 PolarHBondContact O-N 3.46Å |
| 108 | C | 97.7 | Very high | 97.5 | Very high | 75 Ų | 75 | 66.6 Ų | 66.6 | 51% | 0.507 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.8 | -50 | 174.9 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | K104 L105 E106 V110 K111 V112 | K104-C108 PolarHBondContact O-N 3.5Å; K104-C108 VanDerWaalsContact O-N 3.12Å; L105-C108 WeakPolarHBondContact O-CB 2.88Å; L105-C108 PolarHBondContact O-N 3.28Å; L105-C108 VanDerWaalsContact O-N 3.11Å; E106-C108 PolarHBondContact O-N 2.91Å; C108-V110 VanDerWaalsContact C-N 3.35Å; C108-V110 PolarHBondContact O-N 3.49Å; C108-K111 WeakPolarHBondContact O-CB 3.49Å; C108-K111 PolarHBondContact O-N 2.82Å; C108-K111 VanDerWaalsContact O-N 3.16Å; C108-V112 PolarHBondContact O-N 2.99Å; C108-V112 VanDerWaalsContact O-N 3.14Å |
| 109 | V | 97.7 | Very high | 97.5 | Very high | 26 Ų | 26 | 71.1 Ų | 71.1 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | -178.7 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | T33 L37 I40 L105 E106 K111 V112 A113 | T33-V109 HydrophobicContact CG2-CG1 3.84Å; L37-V109 HydrophobicContact CB-CG1 3.96Å; L37-V109 HydrophobicContact CD1-CG1 4.43Å; I40-V109 HydrophobicContact CD1-CB 4.35Å; I40-V109 HydrophobicContact CD1-CG2 3.74Å; L105-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 PolarHBondContact O-N 3.1Å; E106-V109 PolarHBondContact O-N 2.68Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 2.94Å; V109-V112 PolarHBondContact O-N 3.29Å; V109-V112 VanDerWaalsContact O-N 3.15Å; V109-A113 WeakPolarHBondContact O-CB 3.44Å; V109-A113 PolarHBondContact O-N 3.12Å |
| 110 | V | 98.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 70.9 Ų | 70.9 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | L37 E106 C108 V112 A113 N114 | L37-V110 HydrophobicContact CD1-CG2 3.7Å; L37-V110 HydrophobicContact CD2-CG2 3.87Å; L37-V110 HydrophobicContact CG-CG2 4.47Å; E106-V110 HydrophobicContact CG-CG2 4.1Å; E106-V110 WeakPolarHBondContact O-CB 3.41Å; E106-V110 VanDerWaalsContact O-CG2 3.25Å; E106-V110 WeakPolarHBondContact O-CG2 3.46Å; E106-V110 PolarHBondContact O-N 2.92Å; C108-V110 VanDerWaalsContact C-N 3.35Å; C108-V110 PolarHBondContact O-N 3.49Å; V110-V112 VanDerWaalsContact C-N 3.34Å; V110-V112 PolarHBondContact O-N 3.03Å; V110-A113 PolarHBondContact O-N 3.08Å; V110-N114 WeakPolarHBondContact O-CB 3.39Å; V110-N114 VanDerWaalsContact O-CG 3.26Å; V110-N114 PolarHBondContact O-N 2.89Å; V110-N114 PolarHBondContact O-ND2 3.28Å |
| 111 | K | 98.2 | Very high | 97.7 | Very high | 156 Ų | 156 | 70 Ų | 70 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.6 | -41.4 | 175.9 | -73.1 | 172.5 | -175.6 | 178.8 | 0 | 111.8 | A107 C108 V109 R115 | A107-K111 VanDerWaalsContact O-CG 3.32Å; A107-K111 WeakPolarHBondContact O-CG 3.18Å; A107-K111 PolarHBondContact O-N 3.46Å; C108-K111 WeakPolarHBondContact O-CB 3.49Å; C108-K111 PolarHBondContact O-N 2.82Å; C108-K111 VanDerWaalsContact O-N 3.16Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 2.94Å; K111-R115 PolarHBondContact O-N 3.01Å; K111-R115 VanDerWaalsContact O-N 3.13Å |
| 112 | V | 98 | Very high | 97.7 | Very high | 68 Ų | 68 | 74.3 Ų | 74.3 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | T33 C108 V109 V110 N114 R115 Q116 | T33-V112 HydrophobicContact CG2-CB 4.48Å; T33-V112 HydrophobicContact CG2-CG1 4.19Å; C108-V112 PolarHBondContact O-N 2.99Å; C108-V112 VanDerWaalsContact O-N 3.14Å; V109-V112 PolarHBondContact O-N 3.29Å; V109-V112 VanDerWaalsContact O-N 3.15Å; V110-V112 VanDerWaalsContact C-N 3.34Å; V110-V112 PolarHBondContact O-N 3.03Å; V112-N114 VanDerWaalsContact C-N 3.34Å; V112-N114 PolarHBondContact O-N 3.06Å; V112-R115 WeakPolarHBondContact O-CB 3.45Å; V112-R115 PolarHBondContact O-N 2.93Å; V112-R115 VanDerWaalsContact O-N 3.14Å; V112-Q116 PolarHBondContact O-N 3.22Å |
| 113 | A | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 73.7 Ų | 73.7 | 3% | 0.033 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L30 T33 L34 V109 V110 R115 Q116 A117 | L30-A113 HydrophobicContact CD1-CB 4.32Å; L30-A113 WeakPolarHBondContact CD1-O 3.2Å; T33-A113 HydrophobicContact CG2-CB 4.03Å; L34-A113 HydrophobicContact CD2-CB 4.14Å; V109-A113 WeakPolarHBondContact O-CB 3.44Å; V109-A113 PolarHBondContact O-N 3.12Å; V110-A113 PolarHBondContact O-N 3.08Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 3.05Å; A113-Q116 PolarHBondContact O-N 3.07Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.29Å |
| 114 | N | 98.1 | Very high | 97.7 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.4 | -75.1 | -26.5 | 0 | 0 | 0 | 112.3 | V110 V112 A117 N118 | V110-N114 WeakPolarHBondContact O-CB 3.39Å; V110-N114 VanDerWaalsContact O-CG 3.26Å; V110-N114 PolarHBondContact O-N 2.89Å; V110-N114 PolarHBondContact O-ND2 3.28Å; V112-N114 VanDerWaalsContact C-N 3.34Å; V112-N114 PolarHBondContact O-N 3.06Å; N114-A117 PolarHBondContact O-N 3.49Å; N114-N118 WeakPolarHBondContact O-CB 3.31Å; N114-N118 VanDerWaalsContact O-CG 3.3Å; N114-N118 PolarHBondContact O-N 2.87Å; N114-N118 PolarHBondContact O-ND2 3.02Å |
| 115 | R | 98.1 | Very high | 97.7 | Very high | 204 Ų | 204 | 69.6 Ų | 69.6 | 77% | 0.77 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 176.1 | -175.9 | -180 | 177 | -175.7 | -0.8 | 111.6 | K111 V112 A113 N118 Y119 | K111-R115 PolarHBondContact O-N 3.01Å; K111-R115 VanDerWaalsContact O-N 3.13Å; V112-R115 WeakPolarHBondContact O-CB 3.45Å; V112-R115 PolarHBondContact O-N 2.93Å; V112-R115 VanDerWaalsContact O-N 3.14Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 3.05Å; R115-N118 PolarHBondContact O-N 3.39Å; R115-Y119 PolarHBondContact O-N 3.46Å |
| 116 | Q | 98 | Very high | 97.6 | Very high | 35 Ų | 35 | 70.4 Ų | 70.4 | 16% | 0.164 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 176 | -74.3 | 165.8 | -37.7 | 0 | 0 | 111.7 | S29 L30 T33 V112 A113 N118 Y119 V120 | S29-Q116 PolarHBondContact O-NE2 3.29Å; S29-Q116 PolarHBondContact OG-NE2 2.95Å; L30-Q116 HydrophobicContact CB-CB 4.17Å; L30-Q116 HydrophobicContact CD1-CB 3.92Å; T33-Q116 PolarHBondContact OG1-NE2 3.22Å; T33-Q116 VanDerWaalsContact OG1-NE2 3.16Å; T33-Q116 PolarHBondContact OG1-OE1 3.01Å; V112-Q116 PolarHBondContact O-N 3.22Å; A113-Q116 PolarHBondContact O-N 3.07Å; Q116-N118 VanDerWaalsContact C-N 3.34Å; Q116-N118 PolarHBondContact O-N 3.46Å; Q116-Y119 WeakPolarHBondContact O-CA 3.36Å; Q116-Y119 WeakPolarHBondContact O-CB 3.37Å; Q116-Y119 PolarHBondContact O-N 2.86Å; Q116-V120 WeakPolarHBondContact O-CG2 3.21Å; Q116-V120 PolarHBondContact O-N 3.41Å |
| 117 | A | 98.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 68.6 Ų | 68.6 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L30 A113 N114 Y119 V120 A121 | L30-A117 HydrophobicContact CD1-CB 4.24Å; L30-A117 HydrophobicContact CD2-CB 4.11Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.29Å; N114-A117 PolarHBondContact O-N 3.49Å; A117-Y119 VanDerWaalsContact C-N 3.3Å; A117-Y119 PolarHBondContact O-N 3.18Å; A117-V120 PolarHBondContact O-N 3.34Å; A117-A121 WeakPolarHBondContact O-CB 3.28Å; A117-A121 PolarHBondContact O-N 3.42Å |
| 118 | N | 98.2 | Very high | 97.3 | Very high | 116 Ų | 116 | 72.8 Ų | 72.8 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 173.4 | -73 | -24.6 | 0 | 0 | 0 | 112.3 | N114 R115 Q116 R122 | N114-N118 WeakPolarHBondContact O-CB 3.31Å; N114-N118 VanDerWaalsContact O-CG 3.3Å; N114-N118 PolarHBondContact O-N 2.87Å; N114-N118 PolarHBondContact O-ND2 3.02Å; R115-N118 PolarHBondContact O-N 3.39Å; Q116-N118 VanDerWaalsContact C-N 3.34Å; Q116-N118 PolarHBondContact O-N 3.46Å; N118-R122 WeakPolarHBondContact O-CB 3.33Å; N118-R122 PolarHBondContact O-N 2.91Å |
| 119 | Y | 97.7 | Very high | 97.1 | Very high | 98 Ų | 98 | 74.5 Ų | 74.5 | 38% | 0.384 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 176.4 | -178.1 | -119.1 | 0 | 0 | 0 | 112.2 | A26 R115 Q116 A117 A121 R122 I123 | A26-Y119 HydrophobicContact CB-CD1 3.73Å; A26-Y119 HydrophobicContact CB-CE1 3.75Å; R115-Y119 PolarHBondContact O-N 3.46Å; Q116-Y119 WeakPolarHBondContact O-CA 3.36Å; Q116-Y119 WeakPolarHBondContact O-CB 3.37Å; Q116-Y119 PolarHBondContact O-N 2.86Å; A117-Y119 VanDerWaalsContact C-N 3.3Å; A117-Y119 PolarHBondContact O-N 3.18Å; Y119-A121 PolarHBondContact O-N 3.12Å; Y119-R122 VanDerWaalsContact CD2-NH2 3.27Å; Y119-R122 WeakPolarHBondContact O-CB 3.27Å; Y119-R122 PolarHBondContact O-N 3.49Å; Y119-I123 HydrophobicContact CD1-CD1 3.88Å; Y119-I123 HydrophobicContact CD2-CD1 4.46Å; Y119-I123 HydrophobicContact CE1-CD1 3.44Å; Y119-I123 VanDerWaalsContact CE1-CD1 3.44Å; Y119-I123 HydrophobicContact CE1-CG1 4.45Å; Y119-I123 HydrophobicContact CE2-CD1 4.07Å; Y119-I123 HydrophobicContact CE2-CG1 4.24Å; Y119-I123 HydrophobicContact CG-CD1 4.38Å; Y119-I123 WeakPolarHBondContact O-CG1 3.29Å; Y119-I123 PolarHBondContact O-N 3.48Å |
| 120 | V | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 74.3 Ų | 74.3 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 173.5 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L23 A26 L30 Q116 A117 R122 I123 N124 | L23-V120 HydrophobicContact CD1-CG1 4.04Å; A26-V120 HydrophobicContact CB-CG2 3.7Å; A26-V120 WeakPolarHBondContact O-CG2 3.48Å; L30-V120 HydrophobicContact CB-CG2 4.43Å; L30-V120 HydrophobicContact CD2-CG2 4.24Å; Q116-V120 WeakPolarHBondContact O-CG2 3.21Å; Q116-V120 PolarHBondContact O-N 3.41Å; A117-V120 PolarHBondContact O-N 3.34Å; V120-R122 VanDerWaalsContact C-N 3.28Å; V120-R122 PolarHBondContact O-N 2.87Å; V120-I123 PolarHBondContact O-N 3.42Å; V120-N124 WeakPolarHBondContact O-CB 3.49Å; V120-N124 PolarHBondContact O-N 2.86Å; V120-N124 PolarHBondContact O-ND2 3.17Å |
| 121 | A | 97.8 | Very high | 96.7 | Very high | 58 Ų | 58 | 77 Ų | 77 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A117 Y119 N124 A125 | A117-A121 WeakPolarHBondContact O-CB 3.28Å; A117-A121 PolarHBondContact O-N 3.42Å; Y119-A121 PolarHBondContact O-N 3.12Å; A121-N124 PolarHBondContact O-N 2.92Å; A121-A125 PolarHBondContact O-N 3.41Å |
| 122 | R | 97.7 | Very high | 96.4 | Very high | 146 Ų | 146 | 74.1 Ų | 74.1 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.5 | -49.1 | 175.8 | -172.7 | 175.1 | 70.6 | -176.1 | 6.5 | 111.6 | N118 Y119 V120 N124 A125 H126 | N118-R122 WeakPolarHBondContact O-CB 3.33Å; N118-R122 PolarHBondContact O-N 2.91Å; Y119-R122 VanDerWaalsContact CD2-NH2 3.27Å; Y119-R122 WeakPolarHBondContact O-CB 3.27Å; Y119-R122 PolarHBondContact O-N 3.49Å; V120-R122 VanDerWaalsContact C-N 3.28Å; V120-R122 PolarHBondContact O-N 2.87Å; R122-N124 VanDerWaalsContact C-N 3.32Å; R122-N124 PolarHBondContact O-N 2.91Å; R122-A125 WeakPolarHBondContact O-CB 3.31Å; R122-A125 PolarHBondContact O-N 3Å; R122-H126 PolarHBondContact O-N 3.12Å; R122-H126 VanDerWaalsContact O-N 3.1Å; R122-H126 PolarHBondContact O-ND1 2.83Å |
| 123 | I | 96.1 | Very high | 96 | Very high | 9 Ų | 9 | 72.2 Ų | 72.2 | 5% | 0.046 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177.9 | -62.4 | 163.3 | 0 | 0 | 0 | 110.2 | L19 D22 L23 A26 Y119 V120 A125 H126 V127 | L19-I123 HydrophobicContact CD2-CG2 4.47Å; D22-I123 HydrophobicContact CB-CD1 4.26Å; L23-I123 HydrophobicContact CB-CG2 3.71Å; L23-I123 HydrophobicContact CD1-CB 4.21Å; L23-I123 HydrophobicContact CD1-CG2 4.12Å; L23-I123 HydrophobicContact CG-CG2 4.45Å; A26-I123 HydrophobicContact CB-CD1 3.72Å; Y119-I123 HydrophobicContact CD1-CD1 3.88Å; Y119-I123 HydrophobicContact CD2-CD1 4.46Å; Y119-I123 HydrophobicContact CE1-CD1 3.44Å; Y119-I123 VanDerWaalsContact CE1-CD1 3.44Å; Y119-I123 HydrophobicContact CE1-CG1 4.45Å; Y119-I123 HydrophobicContact CE2-CD1 4.07Å; Y119-I123 HydrophobicContact CE2-CG1 4.24Å; Y119-I123 HydrophobicContact CG-CD1 4.38Å; Y119-I123 WeakPolarHBondContact O-CG1 3.29Å; Y119-I123 PolarHBondContact O-N 3.48Å; V120-I123 PolarHBondContact O-N 3.42Å; I123-A125 VanDerWaalsContact C-N 3.28Å; I123-A125 PolarHBondContact O-N 3.02Å; I123-H126 WeakPolarHBondContact O-CA 3.38Å; I123-H126 WeakPolarHBondContact O-CB 3.14Å; I123-H126 PolarHBondContact O-N 3.39Å; I123-V127 HydrophobicContact CG2-CG2 4.27Å; I123-V127 WeakPolarHBondContact O-CG2 3.33Å; I123-V127 PolarHBondContact O-N 3.32Å |
| 124 | N | 96.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 72.7 Ų | 72.7 | 32% | 0.321 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56 | -40.5 | 175.6 | -87.8 | -43.7 | 0 | 0 | 0 | 112.9 | L23 V120 A121 R122 V127 K128 | L23-N124 WeakPolarHBondContact CD1-OD1 3.36Å; L23-N124 WeakPolarHBondContact CD2-OD1 3.38Å; V120-N124 WeakPolarHBondContact O-CB 3.49Å; V120-N124 PolarHBondContact O-N 2.86Å; V120-N124 PolarHBondContact O-ND2 3.17Å; A121-N124 PolarHBondContact O-N 2.92Å; R122-N124 VanDerWaalsContact C-N 3.32Å; R122-N124 PolarHBondContact O-N 2.91Å; N124-V127 PolarHBondContact O-N 2.9Å; N124-K128 WeakPolarHBondContact O-CG 3.48Å; N124-K128 PolarHBondContact O-N 3.23Å |
| 125 | A | 96.7 | Very high | 95.3 | Very high | 46 Ų | 46 | 74.3 Ų | 74.3 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A121 R122 I123 K128 L129 | A121-A125 PolarHBondContact O-N 3.41Å; R122-A125 WeakPolarHBondContact O-CB 3.31Å; R122-A125 PolarHBondContact O-N 3Å; I123-A125 VanDerWaalsContact C-N 3.28Å; I123-A125 PolarHBondContact O-N 3.02Å; A125-K128 PolarHBondContact O-N 3.38Å; A125-L129 WeakPolarHBondContact O-CG 3.49Å; A125-L129 PolarHBondContact O-N 3.15Å |
| 126 | H | 94.9 | Very high | 94.9 | Very high | 93 Ų | 93 | 71.8 Ų | 71.8 | 43% | 0.431 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 177 | -69.9 | 65.7 | 0 | 0 | 0 | 111.6 | L19 R122 I123 K128 L129 V130 | L19-H126 HydrophobicContact CD1-CB 4.41Å; L19-H126 HydrophobicContact CD2-CB 4.15Å; R122-H126 PolarHBondContact O-N 3.12Å; R122-H126 VanDerWaalsContact O-N 3.1Å; R122-H126 PolarHBondContact O-ND1 2.83Å; I123-H126 WeakPolarHBondContact O-CA 3.38Å; I123-H126 WeakPolarHBondContact O-CB 3.14Å; I123-H126 PolarHBondContact O-N 3.39Å; H126-K128 VanDerWaalsContact C-N 3.31Å; H126-K128 PolarHBondContact O-N 3.09Å; H126-L129 PolarHBondContact O-N 2.91Å; H126-V130 WeakPolarHBondContact O-CG2 3.22Å; H126-V130 PolarHBondContact O-N 2.94Å |
| 127 | V | 95 | Very high | 94.4 | Very high | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.2 | -47.1 | 173.6 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | L15 L19 L23 I123 N124 V130 K131 | L15-V127 HydrophobicContact CD1-CB 4.39Å; L15-V127 HydrophobicContact CD1-CG1 4.02Å; L15-V127 HydrophobicContact CD1-CG2 4.4Å; L19-V127 HydrophobicContact CB-CG2 3.77Å; L19-V127 HydrophobicContact CD1-CG2 4.27Å; L23-V127 HydrophobicContact CD2-CG2 4.47Å; I123-V127 HydrophobicContact CG2-CG2 4.27Å; I123-V127 WeakPolarHBondContact O-CG2 3.33Å; I123-V127 PolarHBondContact O-N 3.32Å; N124-V127 PolarHBondContact O-N 2.9Å; V127-V130 PolarHBondContact O-N 2.93Å; V127-K131 HydrophobicContact CG1-CD 4.26Å; V127-K131 WeakPolarHBondContact O-CG 3.47Å; V127-K131 PolarHBondContact O-N 3.47Å |
| 128 | K | 94.9 | Very high | 93.7 | Very high | 140 Ų | 140 | 74.8 Ų | 74.8 | 61% | 0.609 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 178.1 | -72.8 | 176.8 | -177.8 | -177.9 | 0 | 112.2 | N124 A125 H126 K131 Q132 | N124-K128 WeakPolarHBondContact O-CG 3.48Å; N124-K128 PolarHBondContact O-N 3.23Å; A125-K128 PolarHBondContact O-N 3.38Å; H126-K128 VanDerWaalsContact C-N 3.31Å; H126-K128 PolarHBondContact O-N 3.09Å; K128-K131 PolarHBondContact O-N 3.46Å; K128-Q132 WeakPolarHBondContact O-CG 3.47Å; K128-Q132 PolarHBondContact O-N 3.38Å |
| 129 | L | 93.9 | Very high | 93.2 | Very high | 110 Ų | 110 | 73 Ų | 73 | 58% | 0.576 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 178.7 | -72.2 | 172.9 | 0 | 0 | 0 | 112.1 | A125 H126 Q132 G133 | A125-L129 WeakPolarHBondContact O-CG 3.49Å; A125-L129 PolarHBondContact O-N 3.15Å; H126-L129 PolarHBondContact O-N 2.91Å; L129-Q132 PolarHBondContact O-N 2.98Å; L129-G133 PolarHBondContact O-N 3.32Å |
| 130 | V | 93.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 72.7 Ų | 72.7 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 178 | 173.6 | 0 | 0 | 0 | 0 | 111 | L11 F14 L15 L19 H126 V127 Q132 G133 L134 | L11-V130 HydrophobicContact CD2-CG1 4.44Å; F14-V130 HydrophobicContact CD1-CG2 4.31Å; F14-V130 HydrophobicContact CE1-CG2 4.25Å; L15-V130 HydrophobicContact CB-CG1 4.06Å; L15-V130 HydrophobicContact CD1-CB 4.28Å; L15-V130 HydrophobicContact CD1-CG1 4.14Å; L15-V130 HydrophobicContact CG-CG1 4.5Å; L19-V130 HydrophobicContact CD1-CB 4.3Å; L19-V130 HydrophobicContact CD1-CG2 3.79Å; H126-V130 WeakPolarHBondContact O-CG2 3.22Å; H126-V130 PolarHBondContact O-N 2.94Å; V127-V130 PolarHBondContact O-N 2.93Å; V130-Q132 PolarHBondContact O-N 2.95Å; V130-G133 PolarHBondContact O-N 2.98Å; V130-G133 VanDerWaalsContact O-N 3.15Å; V130-L134 HydrophobicContact CG1-CD1 4.24Å; V130-L134 PolarHBondContact O-N 3.28Å |
| 131 | K | 93 | Very high | 91.1 | Very high | 98 Ų | 98 | 76.6 Ų | 76.6 | 43% | 0.426 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 174.8 | -75.3 | -178.9 | 177.9 | -173.6 | 0 | 112.2 | L15 V127 K128 G133 L134 E135 | L15-K131 HydrophobicContact CD1-CG 4.31Å; L15-K131 HydrophobicContact CD2-CG 3.74Å; V127-K131 HydrophobicContact CG1-CD 4.26Å; V127-K131 WeakPolarHBondContact O-CG 3.47Å; V127-K131 PolarHBondContact O-N 3.47Å; K128-K131 PolarHBondContact O-N 3.46Å; K131-G133 VanDerWaalsContact C-N 3.28Å; K131-G133 PolarHBondContact O-N 3.12Å; K131-L134 WeakPolarHBondContact O-CB 3.44Å; K131-L134 PolarHBondContact O-N 3.09Å; K131-E135 WeakPolarHBondContact O-CG 3.46Å; K131-E135 PolarHBondContact O-N 3.28Å |
| 132 | Q | 92.2 | Very high | 89.7 | Confident | 97 Ų | 97 | 78.7 Ų | 78.7 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63 | -35.6 | 175.4 | -71.5 | 174.9 | -1.6 | 0 | 0 | 112.5 | K128 L129 V130 K136 | K128-Q132 WeakPolarHBondContact O-CG 3.47Å; K128-Q132 PolarHBondContact O-N 3.38Å; L129-Q132 PolarHBondContact O-N 2.98Å; V130-Q132 PolarHBondContact O-N 2.95Å; Q132-K136 VanDerWaalsContact O-CG 3.31Å; Q132-K136 WeakPolarHBondContact O-CG 3.48Å; Q132-K136 PolarHBondContact O-N 3.5Å; Q132-K136 VanDerWaalsContact O-N 3.12Å |
| 133 | G | 89.6 | Confident | 88.1 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 28% | 0.278 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L129 V130 K131 K136 L137 | L129-G133 PolarHBondContact O-N 3.32Å; V130-G133 PolarHBondContact O-N 2.98Å; V130-G133 VanDerWaalsContact O-N 3.15Å; K131-G133 VanDerWaalsContact C-N 3.28Å; K131-G133 PolarHBondContact O-N 3.12Å; G133-K136 PolarHBondContact O-N 3.24Å; G133-L137 WeakPolarHBondContact O-CG 3.47Å; G133-L137 PolarHBondContact O-N 3.24Å |
| 134 | L | 91.2 | Very high | 85.5 | Confident | 14 Ų | 14 | 88.8 Ų | 88.8 | 7% | 0.073 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 175.4 | -77 | 168.4 | 0 | 0 | 0 | 111.9 | V8 L11 E12 L15 V130 K131 K136 L137 I138 | V8-L134 HydrophobicContact CG1-CD2 4.12Å; L11-L134 HydrophobicContact CB-CD1 4.47Å; L11-L134 HydrophobicContact CB-CD2 3.54Å; L11-L134 HydrophobicContact CB-CG 4.04Å; L11-L134 HydrophobicContact CD1-CD2 4.15Å; E12-L134 HydrophobicContact CG-CD1 4.07Å; E12-L134 HydrophobicContact CG-CD2 3.99Å; L15-L134 HydrophobicContact CD2-CD1 3.97Å; V130-L134 HydrophobicContact CG1-CD1 4.24Å; V130-L134 PolarHBondContact O-N 3.28Å; K131-L134 WeakPolarHBondContact O-CB 3.44Å; K131-L134 PolarHBondContact O-N 3.09Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 3.12Å; L134-L137 PolarHBondContact O-N 3.43Å; L134-L137 VanDerWaalsContact O-N 3.12Å; L134-I138 VanDerWaalsContact O-CG1 3.32Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.25Å |
| 135 | E | 90.6 | Very high | 85 | Confident | 129 Ų | 129 | 90.2 Ų | 90.2 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -54.9 | -42.6 | 177.1 | -73.4 | 167.7 | -174.9 | 0 | 0 | 111.7 | K131 A139 | K131-E135 WeakPolarHBondContact O-CG 3.46Å; K131-E135 PolarHBondContact O-N 3.28Å; E135-A139 WeakPolarHBondContact O-CB 3.32Å; E135-A139 PolarHBondContact O-N 2.99Å; E135-A139 VanDerWaalsContact O-N 3.09Å |
| 136 | K | 88.8 | Confident | 84.3 | Confident | 150 Ų | 150 | 92.5 Ų | 92.5 | 65% | 0.652 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67 | -42.5 | 176.9 | -73.9 | 175.8 | -177 | -178.4 | 0 | 112.7 | Q132 G133 L134 I138 A139 I140 | Q132-K136 VanDerWaalsContact O-CG 3.31Å; Q132-K136 WeakPolarHBondContact O-CG 3.48Å; Q132-K136 PolarHBondContact O-N 3.5Å; Q132-K136 VanDerWaalsContact O-N 3.12Å; G133-K136 PolarHBondContact O-N 3.24Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 3.12Å; K136-I138 VanDerWaalsContact C-N 3.32Å; K136-I138 PolarHBondContact O-N 3.37Å; K136-A139 PolarHBondContact O-N 3.37Å; K136-I140 WeakPolarHBondContact O-CG1 3.37Å; K136-I140 PolarHBondContact O-N 3.04Å |
| 137 | L | 87.4 | Confident | 83.7 | Confident | 18 Ų | 18 | 92.5 Ų | 92.5 | 9% | 0.094 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64 | -39 | 179.5 | -73.1 | 170.3 | 0 | 0 | 0 | 111.9 | L4 V8 L11 G133 L134 A139 I140 | L4-L137 HydrophobicContact CD1-CB 4.25Å; L4-L137 HydrophobicContact CD1-CD2 3.95Å; V8-L137 HydrophobicContact CG2-CB 4.26Å; L11-L137 HydrophobicContact CD1-CD1 3.46Å; L11-L137 VanDerWaalsContact CD1-CD1 3.46Å; G133-L137 WeakPolarHBondContact O-CG 3.47Å; G133-L137 PolarHBondContact O-N 3.24Å; L134-L137 PolarHBondContact O-N 3.43Å; L134-L137 VanDerWaalsContact O-N 3.12Å; L137-A139 VanDerWaalsContact C-N 3.31Å; L137-I140 HydrophobicContact CD2-CD1 3.98Å; L137-I140 PolarHBondContact O-N 3.48Å |
| 138 | I | 84.9 | Confident | 83.1 | Confident | 117 Ų | 117 | 97.5 Ų | 97.5 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69 | -32.9 | 176.5 | -64.4 | 164.8 | 0 | 0 | 0 | 111.1 | L134 K136 I140 | L134-I138 VanDerWaalsContact O-CG1 3.32Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.25Å; K136-I138 VanDerWaalsContact C-N 3.32Å; K136-I138 PolarHBondContact O-N 3.37Å; I138-I140 VanDerWaalsContact C-N 3.31Å; I138-I140 PolarHBondContact O-N 3.3Å |
| 139 | A | 86.4 | Confident | 82.3 | Confident | 78 Ų | 78 | 94.8 Ų | 94.8 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | E135 K136 L137 P141 | E135-A139 WeakPolarHBondContact O-CB 3.32Å; E135-A139 PolarHBondContact O-N 2.99Å; E135-A139 VanDerWaalsContact O-N 3.09Å; K136-A139 PolarHBondContact O-N 3.37Å; L137-A139 VanDerWaalsContact C-N 3.31Å; A139-P141 VanDerWaalsContact O-CD 3.29Å; A139-P141 WeakPolarHBondContact O-CD 3.29Å |
| 140 | I | 79.9 | Confident | 81.6 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -65.5 | 116.3 | 173.6 | -64.5 | 172.4 | 0 | 0 | 0 | 107.2 | K136 L137 I138 | K136-I140 WeakPolarHBondContact O-CG1 3.37Å; K136-I140 PolarHBondContact O-N 3.04Å; L137-I140 HydrophobicContact CD2-CD1 3.98Å; L137-I140 PolarHBondContact O-N 3.48Å; I138-I140 VanDerWaalsContact C-N 3.31Å; I138-I140 PolarHBondContact O-N 3.3Å |
| 141 | P | 72.5 | Confident | 80.7 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | trans | -59.5 | 147.1 | 177.1 | 25 | -32.2 | 0 | 0 | 0 | 109 | A139 S143 | A139-P141 VanDerWaalsContact O-CD 3.29Å; A139-P141 WeakPolarHBondContact O-CD 3.29Å; P141-S143 PolarHBondContact O-N 2.92Å | ||
| 142 | P | 68.3 | Low | 79.8 | Confident | 101 Ų | 101 | 99 Ų | 99 | 66% | 0.656 | 55% | 0.546 | S | S | * | . | trans | -55.4 | 115 | 175.2 | 24.1 | -32.2 | 0 | 0 | 0 | 107.6 | M1 E144 | M1-P142 HydrophobicContact CE-CB 3.33Å; P142-E144 PolarHBondContact O-N 3.1Å; P142-E144 VanDerWaalsContact O-N 3.1Å | ||
| 143 | S | 64.7 | Low | 78.7 | Confident | 99 Ų | 99 | 99.2 Ų | 99.2 | 69% | 0.692 | 55% | 0.554 | S | S | * | * | trans | -57.9 | 118 | 166.4 | 53.9 | 0 | 0 | 0 | 0 | 106.4 | P141 | P141-S143 PolarHBondContact O-N 2.92Š| ||
| 144 | E | 40.6 | Very low | 77.7 | Confident | 268 Ų | 268 | 105.7 Ų | 105.7 | 100% | 1.252 | 58% | 0.579 | S | S | * | * | trans | -46.9 | 0 | 169.9 | -70.2 | 179.8 | 158.3 | 0 | 0 | 111.9 | P142 | P142-E144 PolarHBondContact O-N 3.1Å; P142-E144 VanDerWaalsContact O-N 3.1Å |
Retrieved 144 of 144 residues in 256.9 ms
(Link to these results)