| 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 | 74.1 | Confident | 94.7 | Very high | 188 Ų | 188 | 77.7 Ų | 77.7 | 93% | 0.926 | 41% | 0.405 | S | S | * | . | 0 | 135.5 | 0 | -82.5 | -166.7 | 169.1 | 0 | 0 | 107.4 | L6 | M1-L6 HydrophobicContact CB-CD1 4.39Å; M1-L6 HydrophobicContact CB-CG 4.31Å; M1-L6 HydrophobicContact SD-CD2 3.43Å; M1-L6 WeakPolarHBondContact SD-CD2 3.48Å; M1-L6 HydrophobicContact SD-CG 4.07Å | |||
| 2 | D | 92.9 | Very high | 95 | Very high | 92 Ų | 92 | 76.8 Ų | 76.8 | 49% | 0.492 | 41% | 0.405 | S | S | . | . | trans | -95.7 | 169.8 | 172.4 | 51.8 | 42.6 | 0 | 0 | 0 | 110.1 | S5 L6 | D2-S5 PolarHBondContact N-OG 3.33Å; D2-S5 PolarHBondContact O-OG 3.46Å; D2-S5 WeakPolarHBondContact OD1-CA 3.4Å; D2-S5 WeakPolarHBondContact OD1-CB 3.49Å; D2-S5 PolarHBondContact OD1-N 3.14Å; D2-S5 PolarHBondContact OD1-OG 3.07Å; D2-L6 WeakPolarHBondContact O-CG 3.47Å; D2-L6 PolarHBondContact O-N 3.03Å | ||
| 3 | E | 95.2 | Very high | 95.3 | Very high | 65 Ų | 65 | 75.5 Ų | 75.5 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 179.7 | 172.9 | 162.2 | -177.8 | 0 | 0 | 112.2 | S5 L6 E7 L54 V57 R58 | E3-S5 PolarHBondContact O-N 2.91Å; E3-L6 PolarHBondContact O-N 3.03Å; E3-E7 WeakPolarHBondContact O-CG 3.37Å; E3-E7 PolarHBondContact O-N 3.04Å; E3-L54 HydrophobicContact CB-CD1 4.38Å; E3-L54 HydrophobicContact CG-CD1 3.8Å; E3-V57 HydrophobicContact CB-CG1 4.36Å; E3-R58 IonicContact OE1-CZ 3.74Å; E3-R58 IonicContact OE1-NE 2.7Å; E3-R58 PolarHBondContact OE1-NE 2.95Å; E3-R58 IonicContact OE1-NH2 2.65Å; E3-R58 PolarHBondContact OE1-NH2 3.36Å |
| 4 | E | 96.3 | Very high | 95.5 | Very high | 153 Ų | 153 | 79.3 Ų | 79.3 | 72% | 0.715 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | -177.8 | -173.4 | -173.9 | 171.2 | 0 | 0 | 112.4 | L6 E7 S8 | E4-L6 VanDerWaalsContact C-N 3.32Å; E4-L6 PolarHBondContact O-N 3.12Å; E4-E7 PolarHBondContact O-N 3.5Å; E4-S8 WeakPolarHBondContact O-CB 3.3Å; E4-S8 PolarHBondContact O-N 3.18Å |
| 5 | S | 96.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 76.9 Ų | 76.9 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 177.5 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | D2 E3 A9 | D2-S5 PolarHBondContact N-OG 3.33Å; D2-S5 PolarHBondContact O-OG 3.46Å; D2-S5 WeakPolarHBondContact OD1-CA 3.4Å; D2-S5 WeakPolarHBondContact OD1-CB 3.49Å; D2-S5 PolarHBondContact OD1-N 3.14Å; D2-S5 PolarHBondContact OD1-OG 3.07Å; E3-S5 PolarHBondContact O-N 2.91Å; S5-A9 VanDerWaalsContact O-CB 3.28Å; S5-A9 WeakPolarHBondContact O-CB 3.49Å; S5-A9 PolarHBondContact O-N 3.28Å |
| 6 | L | 97.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 175.7 | -73.7 | 169.9 | 0 | 0 | 0 | 111.8 | M1 D2 E3 E4 A9 L10 T50 L54 V57 | M1-L6 HydrophobicContact CB-CD1 4.39Å; M1-L6 HydrophobicContact CB-CG 4.31Å; M1-L6 HydrophobicContact SD-CD2 3.43Å; M1-L6 WeakPolarHBondContact SD-CD2 3.48Å; M1-L6 HydrophobicContact SD-CG 4.07Å; D2-L6 WeakPolarHBondContact O-CG 3.47Å; D2-L6 PolarHBondContact O-N 3.03Å; E3-L6 PolarHBondContact O-N 3.03Å; E4-L6 VanDerWaalsContact C-N 3.32Å; E4-L6 PolarHBondContact O-N 3.12Å; L6-A9 PolarHBondContact O-N 3.43Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.43Å; L6-T50 HydrophobicContact CD2-CG2 3.67Å; L6-L54 HydrophobicContact CB-CB 4.38Å; L6-L54 HydrophobicContact CB-CD1 4.14Å; L6-L54 HydrophobicContact CD1-CB 4.28Å; L6-L54 HydrophobicContact CD1-CD1 4.42Å; L6-V57 HydrophobicContact CD1-CB 4.33Å; L6-V57 HydrophobicContact CD1-CG2 3.83Å |
| 7 | E | 97.8 | Very high | 96 | Very high | 75 Ų | 75 | 73.8 Ų | 73.8 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 176.5 | -70.7 | -171.3 | 141.2 | 0 | 0 | 112.6 | E3 E4 A9 L10 Q11 L54 R58 | E3-E7 WeakPolarHBondContact O-CG 3.37Å; E3-E7 PolarHBondContact O-N 3.04Å; E4-E7 PolarHBondContact O-N 3.5Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-L10 PolarHBondContact O-N 2.95Å; E7-Q11 WeakPolarHBondContact O-CG 3.34Å; E7-Q11 PolarHBondContact O-N 3.43Å; E7-L54 HydrophobicContact CG-CD1 4.23Å; E7-L54 HydrophobicContact CG-CD2 4.03Å; E7-R58 IonicContact OE1-CZ 2.69Å; E7-R58 IonicContact OE1-NH2 3.21Å; E7-R58 PolarHBondContact OE1-NH2 3.48Å |
| 8 | S | 97.8 | Very high | 96.1 | Very high | 65 Ų | 65 | 76.5 Ų | 76.5 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63 | -41 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | E4 Q11 T12 | E4-S8 WeakPolarHBondContact O-CB 3.3Å; E4-S8 PolarHBondContact O-N 3.18Å; S8-Q11 PolarHBondContact O-N 2.94Å; S8-T12 PolarHBondContact O-N 3.4Å; S8-T12 VanDerWaalsContact O-N 3.08Å; S8-T12 PolarHBondContact O-OG1 3.21Å; S8-T12 VanDerWaalsContact O-OG1 3.04Å |
| 9 | A | 97.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 79.3 Ų | 79.3 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S5 L6 E7 Q11 T12 Y13 | S5-A9 VanDerWaalsContact O-CB 3.28Å; S5-A9 WeakPolarHBondContact O-CB 3.49Å; S5-A9 PolarHBondContact O-N 3.28Å; L6-A9 PolarHBondContact O-N 3.43Å; E7-A9 VanDerWaalsContact C-N 3.34Å; A9-Q11 PolarHBondContact O-N 3.24Å; A9-T12 WeakPolarHBondContact O-CB 3.27Å; A9-T12 PolarHBondContact O-N 2.78Å; A9-T12 VanDerWaalsContact O-N 3.14Å; A9-Y13 HydrophobicContact CB-CD2 4.44Å; A9-Y13 HydrophobicContact CB-CE2 3.78Å; A9-Y13 VanDerWaalsContact O-CD2 3.26Å; A9-Y13 WeakPolarHBondContact O-CD2 3.39Å; A9-Y13 PolarHBondContact O-N 2.91Å |
| 10 | L | 98.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 75.9 Ų | 75.9 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.8 | -77.1 | 172.2 | 0 | 0 | 0 | 113 | L6 E7 T12 Y13 R14 I47 T50 E51 L54 | L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.43Å; E7-L10 PolarHBondContact O-N 2.95Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 3.47Å; L10-Y13 PolarHBondContact O-N 3.35Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 VanDerWaalsContact O-CG 3.23Å; L10-R14 WeakPolarHBondContact O-CG 3.32Å; L10-R14 PolarHBondContact O-N 2.91Å; L10-I47 HydrophobicContact CD2-CB 4.46Å; L10-I47 HydrophobicContact CD2-CG2 4.01Å; L10-T50 HydrophobicContact CD1-CG2 4.42Å; L10-T50 HydrophobicContact CD2-CG2 3.85Å; L10-T50 HydrophobicContact CG-CG2 3.74Å; L10-E51 HydrophobicContact CD1-CG 3.93Å; L10-E51 HydrophobicContact CD2-CG 3.72Å; L10-L54 HydrophobicContact CD1-CD2 3.85Å |
| 11 | Q | 98.4 | Very high | 96.2 | Very high | 135 Ų | 135 | 76.3 Ų | 76.3 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.4 | -44 | 175.6 | -70.4 | 177.8 | 16.9 | 0 | 0 | 111.1 | E7 S8 A9 A15 | E7-Q11 WeakPolarHBondContact O-CG 3.34Å; E7-Q11 PolarHBondContact O-N 3.43Å; S8-Q11 PolarHBondContact O-N 2.94Å; A9-Q11 PolarHBondContact O-N 3.24Å; Q11-A15 WeakPolarHBondContact O-CB 3.38Å; Q11-A15 PolarHBondContact O-N 3Å |
| 12 | T | 98.4 | Very high | 97.2 | Very high | 67 Ų | 67 | 72.9 Ų | 72.9 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -48.7 | 177.9 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | S8 A9 L10 R14 A15 Q16 | S8-T12 PolarHBondContact O-N 3.4Å; S8-T12 VanDerWaalsContact O-N 3.08Å; S8-T12 PolarHBondContact O-OG1 3.21Å; S8-T12 VanDerWaalsContact O-OG1 3.04Å; A9-T12 WeakPolarHBondContact O-CB 3.27Å; A9-T12 PolarHBondContact O-N 2.78Å; A9-T12 VanDerWaalsContact O-N 3.14Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 3.47Å; T12-R14 VanDerWaalsContact C-N 3.35Å; T12-R14 PolarHBondContact O-N 2.93Å; T12-A15 PolarHBondContact O-N 3.47Å; T12-Q16 WeakPolarHBondContact O-CG 3.5Å; T12-Q16 PolarHBondContact O-N 3.47Å |
| 13 | Y | 98.5 | Very high | 97.2 | Very high | 60 Ų | 60 | 69.9 Ų | 69.9 | 24% | 0.235 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.4 | -38.1 | -178.8 | -57.2 | -29.2 | 0 | 0 | 0 | 112.2 | A9 L10 Q16 L17 L46 | A9-Y13 HydrophobicContact CB-CD2 4.44Å; A9-Y13 HydrophobicContact CB-CE2 3.78Å; A9-Y13 VanDerWaalsContact O-CD2 3.26Å; A9-Y13 WeakPolarHBondContact O-CD2 3.39Å; A9-Y13 PolarHBondContact O-N 2.91Å; L10-Y13 PolarHBondContact O-N 3.35Å; Y13-Q16 PolarHBondContact O-N 3.47Å; Y13-L17 WeakPolarHBondContact O-CB 3.49Å; Y13-L17 PolarHBondContact O-N 3.1Å; Y13-L46 HydrophobicContact CD1-CD2 4.08Å; Y13-L46 HydrophobicContact CD2-CD2 4.07Å; Y13-L46 HydrophobicContact CD2-CG 4.01Å; Y13-L46 HydrophobicContact CE1-CD2 3.85Å; Y13-L46 HydrophobicContact CE2-CD1 4.37Å; Y13-L46 HydrophobicContact CE2-CD2 3.82Å; Y13-L46 HydrophobicContact CE2-CG 3.81Å; Y13-L46 HydrophobicContact CG-CD2 4.2Å |
| 14 | R | 98.4 | Very high | 97.1 | Very high | 128 Ų | 128 | 68.4 Ų | 68.4 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 174.8 | -73.2 | 170.8 | 179.5 | 168.8 | -0.7 | 111.9 | L10 T12 Q16 L17 Q18 I47 E51 | L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 VanDerWaalsContact O-CG 3.23Å; L10-R14 WeakPolarHBondContact O-CG 3.32Å; L10-R14 PolarHBondContact O-N 2.91Å; T12-R14 VanDerWaalsContact C-N 3.35Å; T12-R14 PolarHBondContact O-N 2.93Å; R14-Q16 VanDerWaalsContact C-N 3.35Å; R14-L17 PolarHBondContact O-N 3.13Å; R14-Q18 PolarHBondContact O-N 3.48Å; R14-I47 HydrophobicContact CG-CD1 4.03Å; R14-E51 IonicContact CZ-OE1 2.71Å; R14-E51 IonicContact NH2-OE1 2.76Å; R14-E51 PolarHBondContact NH2-OE1 3.41Å |
| 15 | A | 98.5 | Very high | 96.8 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q11 T12 Q18 Q19 | Q11-A15 WeakPolarHBondContact O-CB 3.38Å; Q11-A15 PolarHBondContact O-N 3Å; T12-A15 PolarHBondContact O-N 3.47Å; A15-Q18 PolarHBondContact O-N 2.92Å; A15-Q19 VanDerWaalsContact O-CG 3.32Å; A15-Q19 WeakPolarHBondContact O-CG 3.45Å; A15-Q19 PolarHBondContact O-N 3.24Å; A15-Q19 VanDerWaalsContact O-N 3.08Å |
| 16 | Q | 98.4 | Very high | 96.5 | Very high | 76 Ų | 76 | 66 Ų | 66 | 36% | 0.355 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.8 | -71.1 | 170.4 | -9 | 0 | 0 | 111.7 | T12 Y13 R14 Q18 Q19 V20 L43 | T12-Q16 WeakPolarHBondContact O-CG 3.5Å; T12-Q16 PolarHBondContact O-N 3.47Å; Y13-Q16 PolarHBondContact O-N 3.47Å; R14-Q16 VanDerWaalsContact C-N 3.35Å; Q16-Q18 VanDerWaalsContact C-N 3.34Å; Q16-Q18 PolarHBondContact O-N 3.33Å; Q16-Q19 WeakPolarHBondContact O-CB 3.3Å; Q16-Q19 PolarHBondContact O-N 2.9Å; Q16-Q19 VanDerWaalsContact O-N 3.17Å; Q16-V20 WeakPolarHBondContact O-CG2 3.41Å; Q16-V20 PolarHBondContact O-N 3.42Å; Q16-L43 HydrophobicContact CB-CD1 4.15Å; Q16-L43 HydrophobicContact CB-CD2 4.22Å |
| 17 | L | 98.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.1 | 178.1 | 61.3 | 0 | 0 | 0 | 111.3 | Y13 R14 Q19 V20 E21 Q40 L43 K44 I47 | Y13-L17 WeakPolarHBondContact O-CB 3.49Å; Y13-L17 PolarHBondContact O-N 3.1Å; R14-L17 PolarHBondContact O-N 3.13Å; L17-Q19 VanDerWaalsContact C-N 3.31Å; L17-Q19 PolarHBondContact O-N 3.48Å; L17-V20 PolarHBondContact O-N 3.19Å; L17-E21 HydrophobicContact CD1-CG 4.36Å; L17-E21 WeakPolarHBondContact O-CG 3.38Å; L17-E21 PolarHBondContact O-N 3.18Å; L17-Q40 HydrophobicContact CD1-CB 4.43Å; L17-Q40 HydrophobicContact CD1-CG 3.52Å; L17-L43 HydrophobicContact CB-CD1 4.4Å; L17-L43 HydrophobicContact CD1-CB 4.28Å; L17-K44 HydrophobicContact CD1-CG 4.24Å; L17-K44 HydrophobicContact CD2-CG 4.03Å; L17-I47 HydrophobicContact CB-CD1 4.41Å; L17-I47 HydrophobicContact CD2-CD1 3.95Å |
| 18 | Q | 98.1 | Very high | 94.8 | Very high | 123 Ų | 123 | 68 Ų | 68 | 58% | 0.575 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | 176.2 | -175.1 | -175.9 | -12.1 | 0 | 0 | 111.8 | R14 A15 Q16 V20 E21 L22 | R14-Q18 PolarHBondContact O-N 3.48Å; A15-Q18 PolarHBondContact O-N 2.92Å; Q16-Q18 VanDerWaalsContact C-N 3.34Å; Q16-Q18 PolarHBondContact O-N 3.33Å; Q18-V20 VanDerWaalsContact C-N 3.34Å; Q18-V20 PolarHBondContact O-N 3.1Å; Q18-E21 PolarHBondContact O-N 3.21Å; Q18-L22 HydrophobicContact CG-CD1 4.35Å; Q18-L22 VanDerWaalsContact O-CG 3.29Å; Q18-L22 WeakPolarHBondContact O-CG 3.34Å; Q18-L22 PolarHBondContact O-N 2.95Å |
| 19 | Q | 96.9 | Very high | 94.1 | Very high | 129 Ų | 129 | 70.7 Ų | 70.7 | 60% | 0.603 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 176.7 | -71.4 | 169.9 | -8.1 | 0 | 0 | 111.9 | A15 Q16 L17 L22 A23 | A15-Q19 VanDerWaalsContact O-CG 3.32Å; A15-Q19 WeakPolarHBondContact O-CG 3.45Å; A15-Q19 PolarHBondContact O-N 3.24Å; A15-Q19 VanDerWaalsContact O-N 3.08Å; Q16-Q19 WeakPolarHBondContact O-CB 3.3Å; Q16-Q19 PolarHBondContact O-N 2.9Å; Q16-Q19 VanDerWaalsContact O-N 3.17Å; L17-Q19 VanDerWaalsContact C-N 3.31Å; L17-Q19 PolarHBondContact O-N 3.48Å; Q19-L22 PolarHBondContact O-N 2.99Å; Q19-A23 WeakPolarHBondContact O-CB 3.37Å; Q19-A23 PolarHBondContact O-N 3.45Å |
| 20 | V | 96.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 74.7 Ų | 74.7 | 7% | 0.073 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | Q16 L17 Q18 L22 A23 L24 L36 L39 Q40 L43 | Q16-V20 WeakPolarHBondContact O-CG2 3.41Å; Q16-V20 PolarHBondContact O-N 3.42Å; L17-V20 PolarHBondContact O-N 3.19Å; Q18-V20 VanDerWaalsContact C-N 3.34Å; Q18-V20 PolarHBondContact O-N 3.1Å; V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 2.89Å; V20-A23 PolarHBondContact O-N 2.94Å; V20-L24 HydrophobicContact CG1-CD1 4.05Å; V20-L24 HydrophobicContact CG1-CG 4.49Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 2.84Å; V20-L36 HydrophobicContact CG1-CB 4.33Å; V20-L36 HydrophobicContact CG1-CD2 4.19Å; V20-L36 WeakPolarHBondContact CG1-O 3.29Å; V20-L36 HydrophobicContact CG2-CD2 4.47Å; V20-L39 HydrophobicContact CG2-CD2 3.68Å; V20-L39 HydrophobicContact CG2-CG 4.07Å; V20-Q40 HydrophobicContact CG1-CB 3.96Å; V20-L43 HydrophobicContact CG2-CD1 4Å |
| 21 | E | 95.6 | Very high | 92.6 | Very high | 85 Ų | 85 | 78.2 Ų | 78.2 | 40% | 0.397 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 177.8 | -72.3 | 178 | 163.9 | 0 | 0 | 112.4 | L17 Q18 G25 Q40 | L17-E21 HydrophobicContact CD1-CG 4.36Å; L17-E21 WeakPolarHBondContact O-CG 3.38Å; L17-E21 PolarHBondContact O-N 3.18Å; Q18-E21 PolarHBondContact O-N 3.21Å; E21-G25 PolarHBondContact O-N 3.43Å; E21-G25 VanDerWaalsContact O-N 3.1Å; E21-Q40 HydrophobicContact CG-CG 4.42Å; E21-Q40 PolarHBondContact OE1-NE2 2.9Å |
| 22 | L | 95.6 | Very high | 92.1 | Very high | 115 Ų | 115 | 76.1 Ų | 76.1 | 60% | 0.602 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 172.2 | -71.4 | 170.4 | 0 | 0 | 0 | 111.9 | Q18 Q19 V20 G25 A26 | Q18-L22 HydrophobicContact CG-CD1 4.35Å; Q18-L22 VanDerWaalsContact O-CG 3.29Å; Q18-L22 WeakPolarHBondContact O-CG 3.34Å; Q18-L22 PolarHBondContact O-N 2.95Å; Q19-L22 PolarHBondContact O-N 2.99Å; V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 2.89Å; L22-G25 PolarHBondContact O-N 3.17Å; L22-A26 PolarHBondContact O-N 3.11Å; L22-A26 VanDerWaalsContact O-N 3.11Å |
| 23 | A | 92.8 | Very high | 91.7 | Very high | 29 Ų | 29 | 75.1 Ų | 75.1 | 24% | 0.24 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q19 V20 G25 A26 L28 L36 | Q19-A23 WeakPolarHBondContact O-CB 3.37Å; Q19-A23 PolarHBondContact O-N 3.45Å; V20-A23 PolarHBondContact O-N 2.94Å; A23-G25 VanDerWaalsContact C-N 3.29Å; A23-G25 PolarHBondContact O-N 3Å; A23-A26 WeakPolarHBondContact O-CB 3.5Å; A23-A26 PolarHBondContact O-N 3.01Å; A23-L28 HydrophobicContact CB-CD1 4.13Å; A23-L28 WeakPolarHBondContact O-CD1 3.45Å; A23-L36 HydrophobicContact CB-CD1 3.86Å |
| 24 | L | 92.4 | Very high | 91.5 | Very high | 34 Ų | 34 | 74.8 Ų | 74.8 | 18% | 0.178 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 173.4 | -75.6 | 168.9 | 0 | 0 | 0 | 112.3 | V20 A26 L36 R37 Q40 | V20-L24 HydrophobicContact CG1-CD1 4.05Å; V20-L24 HydrophobicContact CG1-CG 4.49Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 2.84Å; L24-A26 VanDerWaalsContact C-N 3.32Å; L24-L36 HydrophobicContact CD1-CB 4.43Å; L24-L36 HydrophobicContact CD2-CB 3.51Å; L24-L36 HydrophobicContact CD2-CD1 4.28Å; L24-L36 HydrophobicContact CG-CB 3.84Å; L24-L36 HydrophobicContact CG-CD1 4.4Å; L24-R37 HydrophobicContact CD1-CG 4.44Å; L24-R37 HydrophobicContact CD2-CG 3.99Å; L24-Q40 HydrophobicContact CD1-CB 4.42Å |
| 25 | G | 90.1 | Very high | 91.3 | Very high | 70 Ų | 70 | 73.6 Ų | 73.6 | 72% | 0.722 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -73.6 | -18.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E21 L22 A23 G27 | E21-G25 PolarHBondContact O-N 3.43Å; E21-G25 VanDerWaalsContact O-N 3.1Å; L22-G25 PolarHBondContact O-N 3.17Å; A23-G25 VanDerWaalsContact C-N 3.29Å; A23-G25 PolarHBondContact O-N 3Å; G25-G27 VanDerWaalsContact C-N 3.3Å; G25-G27 PolarHBondContact O-N 3.42Å |
| 26 | A | 90.7 | Very high | 91.2 | Very high | 80 Ų | 80 | 73 Ų | 73 | 66% | 0.661 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -6.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L22 A23 L24 | L22-A26 PolarHBondContact O-N 3.11Å; L22-A26 VanDerWaalsContact O-N 3.11Å; A23-A26 WeakPolarHBondContact O-CB 3.5Å; A23-A26 PolarHBondContact O-N 3.01Å; L24-A26 VanDerWaalsContact C-N 3.32Å |
| 27 | G | 78.8 | Confident | 91.1 | Very high | 60 Ų | 60 | 76 Ų | 76 | 62% | 0.619 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 49.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G25 | G25-G27 VanDerWaalsContact C-N 3.3Å; G25-G27 PolarHBondContact O-N 3.42Å |
| 28 | L | 80.2 | Confident | 91 | Very high | 63 Ų | 63 | 80.8 Ų | 80.8 | 33% | 0.33 | 47% | 0.47 | S | S | . | . | trans | -67.8 | 170.5 | 175.5 | -67.4 | 168.2 | 0 | 0 | 0 | 113.4 | A23 E32 Q33 L36 | A23-L28 HydrophobicContact CB-CD1 4.13Å; A23-L28 WeakPolarHBondContact O-CD1 3.45Å; L28-E32 HydrophobicContact CB-CB 4.16Å; L28-Q33 HydrophobicContact CB-CG 4.27Å; L28-Q33 PolarHBondContact O-NE2 2.85Å; L28-L36 HydrophobicContact CD1-CD1 3.22Å | ||
| 29 | D | 83.6 | Confident | 91 | Very high | 121 Ų | 121 | 78.8 Ų | 78.8 | 65% | 0.647 | 46% | 0.462 | S | S | * | . | trans | -63 | 152.6 | 177.6 | -75.7 | -38.3 | 0 | 0 | 0 | 112 | S31 E32 Q33 | D29-S31 VanDerWaalsContact C-N 3.27Å; D29-S31 PolarHBondContact O-N 2.97Å; D29-S31 VanDerWaalsContact O-N 3.14Å; D29-E32 HydrophobicContact CB-CG 4.39Å; D29-E32 PolarHBondContact N-OE2 2.97Å; D29-E32 PolarHBondContact O-N 3.28Å; D29-Q33 WeakPolarHBondContact O-CG 3.22Å; D29-Q33 PolarHBondContact O-N 3.35Å | ||
| 30 | S | 80.9 | Confident | 91.1 | Very high | 106 Ų | 106 | 74.5 Ų | 74.5 | 74% | 0.741 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -57.1 | -32.2 | -172.4 | 54.3 | 0 | 0 | 0 | 0 | 115.3 | A34 | S30-A34 PolarHBondContact O-N 3.36Å |
| 31 | S | 83.8 | Confident | 91.1 | Very high | 82 Ų | 82 | 75.6 Ų | 75.6 | 57% | 0.573 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.1 | -46.2 | 174.6 | -167.4 | 0 | 0 | 0 | 0 | 111.7 | D29 Q33 A34 D35 | D29-S31 VanDerWaalsContact C-N 3.27Å; D29-S31 PolarHBondContact O-N 2.97Å; D29-S31 VanDerWaalsContact O-N 3.14Å; S31-Q33 VanDerWaalsContact C-N 3.26Å; S31-Q33 PolarHBondContact O-N 2.98Å; S31-A34 WeakPolarHBondContact O-CB 3.46Å; S31-A34 PolarHBondContact O-N 3.32Å; S31-D35 PolarHBondContact O-N 2.85Å |
| 32 | E | 86.6 | Confident | 91.3 | Very high | 91 Ų | 91 | 75.3 Ų | 75.3 | 43% | 0.425 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.4 | -35.4 | 178.4 | -59.7 | 179.5 | 139.3 | 0 | 0 | 111.1 | L28 D29 A34 D35 L36 | L28-E32 HydrophobicContact CB-CB 4.16Å; D29-E32 HydrophobicContact CB-CG 4.39Å; D29-E32 PolarHBondContact N-OE2 2.97Å; D29-E32 PolarHBondContact O-N 3.28Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.36Å; E32-D35 PolarHBondContact O-N 2.93Å; E32-L36 WeakPolarHBondContact O-CB 3.41Å; E32-L36 VanDerWaalsContact O-CG 3.27Å; E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.5Å |
| 33 | Q | 91.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.6 | -33.6 | 172.7 | -72.4 | -171.6 | 26.3 | 0 | 0 | 113.2 | L28 D29 S31 R37 | L28-Q33 HydrophobicContact CB-CG 4.27Å; L28-Q33 PolarHBondContact O-NE2 2.85Å; D29-Q33 WeakPolarHBondContact O-CG 3.22Å; D29-Q33 PolarHBondContact O-N 3.35Å; S31-Q33 VanDerWaalsContact C-N 3.26Å; S31-Q33 PolarHBondContact O-N 2.98Å; Q33-R37 WeakPolarHBondContact O-CB 3.31Å; Q33-R37 VanDerWaalsContact O-CG 3.3Å; Q33-R37 WeakPolarHBondContact O-CG 3.44Å; Q33-R37 PolarHBondContact O-N 3.39Å; Q33-R37 VanDerWaalsContact OE1-NH2 3.09Å |
| 34 | A | 93.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 73 Ų | 73 | 44% | 0.438 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.2 | -47.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S30 S31 E32 L36 R37 Q38 | S30-A34 PolarHBondContact O-N 3.36Å; S31-A34 WeakPolarHBondContact O-CB 3.46Å; S31-A34 PolarHBondContact O-N 3.32Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.36Å; A34-L36 VanDerWaalsContact C-N 3.33Å; A34-L36 PolarHBondContact O-N 3.2Å; A34-R37 PolarHBondContact O-N 3.08Å; A34-Q38 PolarHBondContact O-N 3.44Å |
| 35 | D | 94.4 | Very high | 92 | Very high | 103 Ų | 103 | 77 Ų | 77 | 55% | 0.551 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 177.5 | -64.2 | -22.4 | 0 | 0 | 0 | 111.5 | S31 E32 R37 Q38 L39 | S31-D35 PolarHBondContact O-N 2.85Å; E32-D35 PolarHBondContact O-N 2.93Å; D35-R37 PolarHBondContact O-N 3.17Å; D35-Q38 PolarHBondContact O-N 2.99Å; D35-L39 WeakPolarHBondContact O-CB 3.33Å; D35-L39 PolarHBondContact O-N 3.41Å |
| 36 | L | 96.2 | Very high | 92.4 | Very high | 31 Ų | 31 | 76.8 Ų | 76.8 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.8 | -34.2 | 177 | -73.8 | 175.3 | 0 | 0 | 0 | 113.3 | V20 A23 L24 L28 E32 A34 Q38 L39 Q40 | V20-L36 HydrophobicContact CG1-CB 4.33Å; V20-L36 HydrophobicContact CG1-CD2 4.19Å; V20-L36 WeakPolarHBondContact CG1-O 3.29Å; V20-L36 HydrophobicContact CG2-CD2 4.47Å; A23-L36 HydrophobicContact CB-CD1 3.86Å; L24-L36 HydrophobicContact CD1-CB 4.43Å; L24-L36 HydrophobicContact CD2-CB 3.51Å; L24-L36 HydrophobicContact CD2-CD1 4.28Å; L24-L36 HydrophobicContact CG-CB 3.84Å; L24-L36 HydrophobicContact CG-CD1 4.4Å; L28-L36 HydrophobicContact CD1-CD1 3.22Å; E32-L36 WeakPolarHBondContact O-CB 3.41Å; E32-L36 VanDerWaalsContact O-CG 3.27Å; E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.5Å; A34-L36 VanDerWaalsContact C-N 3.33Å; A34-L36 PolarHBondContact O-N 3.2Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-L39 PolarHBondContact O-N 3.01Å; L36-Q40 WeakPolarHBondContact O-CB 3.41Å; L36-Q40 PolarHBondContact O-N 2.68Å |
| 37 | R | 96.1 | Very high | 92.8 | Very high | 139 Ų | 139 | 73.8 Ų | 73.8 | 53% | 0.525 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 173.1 | -78.7 | -174.2 | -169.4 | 99.2 | 6.8 | 111.5 | L24 Q33 A34 D35 Q40 G41 | L24-R37 HydrophobicContact CD1-CG 4.44Å; L24-R37 HydrophobicContact CD2-CG 3.99Å; Q33-R37 WeakPolarHBondContact O-CB 3.31Å; Q33-R37 VanDerWaalsContact O-CG 3.3Å; Q33-R37 WeakPolarHBondContact O-CG 3.44Å; Q33-R37 PolarHBondContact O-N 3.39Å; Q33-R37 VanDerWaalsContact OE1-NH2 3.09Å; A34-R37 PolarHBondContact O-N 3.08Å; D35-R37 PolarHBondContact O-N 3.17Å; R37-Q40 WeakPolarHBondContact O-CB 3.35Å; R37-Q40 PolarHBondContact O-N 2.98Å; R37-G41 PolarHBondContact O-N 3.41Å; R37-G41 VanDerWaalsContact O-N 3.12Å |
| 38 | Q | 97.4 | Very high | 93.7 | Very high | 125 Ų | 125 | 77 Ų | 77 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.9 | -51 | 174 | -177 | 179.9 | -30.7 | 0 | 0 | 110.4 | A34 D35 L36 Q40 G41 D42 | A34-Q38 PolarHBondContact O-N 3.44Å; D35-Q38 PolarHBondContact O-N 2.99Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-Q40 PolarHBondContact O-N 2.69Å; Q38-G41 WeakPolarHBondContact O-CA 3.42Å; Q38-G41 PolarHBondContact O-N 3.38Å; Q38-D42 PolarHBondContact O-N 3.12Å |
| 39 | L | 97.7 | Very high | 94.6 | Very high | 80 Ų | 80 | 78.7 Ų | 78.7 | 42% | 0.419 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.7 | -37.3 | 177.5 | -178.8 | 60.5 | 0 | 0 | 0 | 112.4 | V20 D35 L36 G41 D42 L43 | V20-L39 HydrophobicContact CG2-CD2 3.68Å; V20-L39 HydrophobicContact CG2-CG 4.07Å; D35-L39 WeakPolarHBondContact O-CB 3.33Å; D35-L39 PolarHBondContact O-N 3.41Å; L36-L39 PolarHBondContact O-N 3.01Å; L39-G41 VanDerWaalsContact C-N 3.34Å; L39-D42 PolarHBondContact O-N 3.5Å; L39-L43 HydrophobicContact CD1-CD1 4.26Å; L39-L43 HydrophobicContact CD1-CG 4.25Å; L39-L43 HydrophobicContact CG-CD1 4.06Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3Å |
| 40 | Q | 98.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 73.6 Ų | 73.6 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 173.7 | -167.2 | -165.7 | 20.9 | 0 | 0 | 111.9 | L17 V20 E21 L24 L36 R37 Q38 K44 | L17-Q40 HydrophobicContact CD1-CB 4.43Å; L17-Q40 HydrophobicContact CD1-CG 3.52Å; V20-Q40 HydrophobicContact CG1-CB 3.96Å; E21-Q40 HydrophobicContact CG-CG 4.42Å; E21-Q40 PolarHBondContact OE1-NE2 2.9Å; L24-Q40 HydrophobicContact CD1-CB 4.42Å; L36-Q40 WeakPolarHBondContact O-CB 3.41Å; L36-Q40 PolarHBondContact O-N 2.68Å; R37-Q40 WeakPolarHBondContact O-CB 3.35Å; R37-Q40 PolarHBondContact O-N 2.98Å; Q38-Q40 PolarHBondContact O-N 2.69Å; Q40-K44 VanDerWaalsContact NE2-NZ 3.11Å; Q40-K44 VanDerWaalsContact O-CG 3.32Å; Q40-K44 WeakPolarHBondContact O-CG 3.35Å; Q40-K44 PolarHBondContact O-N 3.24Å; Q40-K44 VanDerWaalsContact O-N 3.13Å |
| 41 | G | 98.4 | Very high | 96.1 | Very high | 36 Ų | 36 | 71.9 Ų | 71.9 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -51.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R37 Q38 L39 L43 K44 E45 | R37-G41 PolarHBondContact O-N 3.41Å; R37-G41 VanDerWaalsContact O-N 3.12Å; Q38-G41 WeakPolarHBondContact O-CA 3.42Å; Q38-G41 PolarHBondContact O-N 3.38Å; L39-G41 VanDerWaalsContact C-N 3.34Å; G41-L43 VanDerWaalsContact C-N 3.29Å; G41-L43 PolarHBondContact O-N 3.15Å; G41-K44 PolarHBondContact O-N 2.88Å; G41-K44 VanDerWaalsContact O-N 3.1Å; G41-E45 PolarHBondContact O-N 2.89Å |
| 42 | D | 98.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 70.7 Ų | 70.7 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 179.8 | -62.1 | -15.5 | 0 | 0 | 0 | 111.4 | Q38 L39 E45 L46 | Q38-D42 PolarHBondContact O-N 3.12Å; L39-D42 PolarHBondContact O-N 3.5Å; D42-E45 PolarHBondContact O-N 3.42Å; D42-L46 WeakPolarHBondContact O-CB 3.45Å; D42-L46 PolarHBondContact O-N 2.96Å |
| 43 | L | 98.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 176.4 | -78.9 | 169.8 | 0 | 0 | 0 | 112.8 | Q16 L17 V20 L39 G41 L46 I47 | Q16-L43 HydrophobicContact CB-CD1 4.15Å; Q16-L43 HydrophobicContact CB-CD2 4.22Å; L17-L43 HydrophobicContact CB-CD1 4.4Å; L17-L43 HydrophobicContact CD1-CB 4.28Å; V20-L43 HydrophobicContact CG2-CD1 4Å; L39-L43 HydrophobicContact CD1-CD1 4.26Å; L39-L43 HydrophobicContact CD1-CG 4.25Å; L39-L43 HydrophobicContact CG-CD1 4.06Å; L39-L43 WeakPolarHBondContact O-CB 3.45Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3Å; G41-L43 VanDerWaalsContact C-N 3.29Å; G41-L43 PolarHBondContact O-N 3.15Å; L43-L46 PolarHBondContact O-N 3.25Å; L43-I47 WeakPolarHBondContact O-CB 3.36Å; L43-I47 WeakPolarHBondContact O-CD1 3.26Å; L43-I47 VanDerWaalsContact O-CG1 3.22Å; L43-I47 WeakPolarHBondContact O-CG1 3.43Å; L43-I47 PolarHBondContact O-N 3.45Å |
| 44 | K | 98.6 | Very high | 97.6 | Very high | 83 Ų | 83 | 67.4 Ų | 67.4 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65 | -46 | 176.3 | -75.9 | 171.7 | -179.9 | 173 | 0 | 111 | L17 Q40 G41 L46 I47 E48 | L17-K44 HydrophobicContact CD1-CG 4.24Å; L17-K44 HydrophobicContact CD2-CG 4.03Å; Q40-K44 VanDerWaalsContact NE2-NZ 3.11Å; Q40-K44 VanDerWaalsContact O-CG 3.32Å; Q40-K44 WeakPolarHBondContact O-CG 3.35Å; Q40-K44 PolarHBondContact O-N 3.24Å; Q40-K44 VanDerWaalsContact O-N 3.13Å; G41-K44 PolarHBondContact O-N 2.88Å; G41-K44 VanDerWaalsContact O-N 3.1Å; K44-L46 VanDerWaalsContact C-N 3.35Å; K44-L46 PolarHBondContact O-N 3.04Å; K44-I47 PolarHBondContact O-N 3.28Å; K44-E48 WeakPolarHBondContact O-CG 3.42Å; K44-E48 PolarHBondContact O-N 2.87Å |
| 45 | E | 98.7 | Very high | 97.9 | Very high | 116 Ų | 116 | 69.5 Ų | 69.5 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 175.9 | -176.2 | 177.1 | -179.1 | 0 | 0 | 111.3 | G41 D42 I47 E48 L49 | G41-E45 PolarHBondContact O-N 2.89Å; D42-E45 PolarHBondContact O-N 3.42Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.27Å; E45-E48 PolarHBondContact O-N 3.44Å; E45-L49 HydrophobicContact CG-CD1 4.06Å; E45-L49 HydrophobicContact CG-CG 4.44Å; E45-L49 WeakPolarHBondContact O-CG 3.48Å; E45-L49 PolarHBondContact O-N 3.46Å |
| 46 | L | 98.5 | Very high | 98 | Very high | 67 Ų | 67 | 68.2 Ų | 68.2 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 178.1 | -178 | 60.4 | 0 | 0 | 0 | 112.3 | Y13 D42 L43 K44 T50 | Y13-L46 HydrophobicContact CD1-CD2 4.08Å; Y13-L46 HydrophobicContact CD2-CD2 4.07Å; Y13-L46 HydrophobicContact CD2-CG 4.01Å; Y13-L46 HydrophobicContact CE1-CD2 3.85Å; Y13-L46 HydrophobicContact CE2-CD1 4.37Å; Y13-L46 HydrophobicContact CE2-CD2 3.82Å; Y13-L46 HydrophobicContact CE2-CG 3.81Å; Y13-L46 HydrophobicContact CG-CD2 4.2Å; D42-L46 WeakPolarHBondContact O-CB 3.45Å; D42-L46 PolarHBondContact O-N 2.96Å; L43-L46 PolarHBondContact O-N 3.25Å; K44-L46 VanDerWaalsContact C-N 3.35Å; K44-L46 PolarHBondContact O-N 3.04Å; L46-T50 VanDerWaalsContact O-CB 3.31Å; L46-T50 WeakPolarHBondContact O-CB 3.23Å; L46-T50 PolarHBondContact O-N 3.01Å; L46-T50 PolarHBondContact O-OG1 3.33Å |
| 47 | I | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 174.7 | -73.8 | 164.5 | 0 | 0 | 0 | 110.1 | L10 R14 L17 L43 K44 E45 L49 T50 E51 | L10-I47 HydrophobicContact CD2-CB 4.46Å; L10-I47 HydrophobicContact CD2-CG2 4.01Å; R14-I47 HydrophobicContact CG-CD1 4.03Å; L17-I47 HydrophobicContact CB-CD1 4.41Å; L17-I47 HydrophobicContact CD2-CD1 3.95Å; L43-I47 WeakPolarHBondContact O-CB 3.36Å; L43-I47 WeakPolarHBondContact O-CD1 3.26Å; L43-I47 VanDerWaalsContact O-CG1 3.22Å; L43-I47 WeakPolarHBondContact O-CG1 3.43Å; L43-I47 PolarHBondContact O-N 3.45Å; K44-I47 PolarHBondContact O-N 3.28Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.27Å; I47-L49 PolarHBondContact O-N 3.08Å; I47-T50 PolarHBondContact O-N 3.45Å; I47-T50 VanDerWaalsContact O-N 3.17Å; I47-E51 HydrophobicContact CG2-CG 4.34Å; I47-E51 WeakPolarHBondContact O-CG 3.32Å; I47-E51 PolarHBondContact O-N 2.96Å |
| 48 | E | 98.7 | Very high | 98.1 | Very high | 129 Ų | 129 | 66.7 Ų | 66.7 | 60% | 0.603 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | -179.9 | -73 | 175.2 | -172.3 | 0 | 0 | 112 | K44 E45 T50 E51 A52 | K44-E48 WeakPolarHBondContact O-CG 3.42Å; K44-E48 PolarHBondContact O-N 2.87Å; E45-E48 PolarHBondContact O-N 3.44Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 PolarHBondContact O-N 3.49Å; E48-E51 PolarHBondContact O-N 3.14Å; E48-A52 WeakPolarHBondContact O-CB 3.46Å; E48-A52 PolarHBondContact O-N 2.96Å |
| 49 | L | 98.5 | Very high | 98 | Very high | 98 Ų | 98 | 67.5 Ų | 67.5 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 177.1 | -70.2 | 173.1 | 0 | 0 | 0 | 112.4 | E45 I47 S53 | E45-L49 HydrophobicContact CG-CD1 4.06Å; E45-L49 HydrophobicContact CG-CG 4.44Å; E45-L49 WeakPolarHBondContact O-CG 3.48Å; E45-L49 PolarHBondContact O-N 3.46Å; I47-L49 PolarHBondContact O-N 3.08Å; L49-S53 WeakPolarHBondContact O-CB 3.28Å; L49-S53 PolarHBondContact O-N 3.09Å; L49-S53 PolarHBondContact O-OG 2.97Å |
| 50 | T | 97.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.08 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 178.5 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | L6 L10 L46 I47 E48 S53 L54 | L6-T50 HydrophobicContact CD2-CG2 3.67Å; L10-T50 HydrophobicContact CD1-CG2 4.42Å; L10-T50 HydrophobicContact CD2-CG2 3.85Å; L10-T50 HydrophobicContact CG-CG2 3.74Å; L46-T50 VanDerWaalsContact O-CB 3.31Å; L46-T50 WeakPolarHBondContact O-CB 3.23Å; L46-T50 PolarHBondContact O-N 3.01Å; L46-T50 PolarHBondContact O-OG1 3.33Å; I47-T50 PolarHBondContact O-N 3.45Å; I47-T50 VanDerWaalsContact O-N 3.17Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 PolarHBondContact O-N 3.49Å; T50-S53 WeakPolarHBondContact O-CB 3.31Å; T50-S53 PolarHBondContact O-N 2.97Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 PolarHBondContact O-N 2.88Å |
| 51 | E | 98.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 68.4 Ų | 68.4 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 173.8 | -72.9 | 177.8 | 169.4 | 0 | 0 | 111.7 | L10 R14 I47 E48 S53 L54 V55 | L10-E51 HydrophobicContact CD1-CG 3.93Å; L10-E51 HydrophobicContact CD2-CG 3.72Å; R14-E51 IonicContact CZ-OE1 2.71Å; R14-E51 IonicContact NH2-OE1 2.76Å; R14-E51 PolarHBondContact NH2-OE1 3.41Å; I47-E51 HydrophobicContact CG2-CG 4.34Å; I47-E51 WeakPolarHBondContact O-CG 3.32Å; I47-E51 PolarHBondContact O-N 2.96Å; E48-E51 PolarHBondContact O-N 3.14Å; E51-S53 VanDerWaalsContact C-N 3.3Å; E51-S53 PolarHBondContact O-N 2.93Å; E51-L54 PolarHBondContact O-N 3.29Å; E51-V55 WeakPolarHBondContact O-CG2 3.44Å; E51-V55 PolarHBondContact O-N 3.37Å |
| 52 | A | 98.2 | Very high | 97.5 | Very high | 56 Ų | 56 | 72.2 Ų | 72.2 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E48 S56 | E48-A52 WeakPolarHBondContact O-CB 3.46Å; E48-A52 PolarHBondContact O-N 2.96Å; A52-S56 PolarHBondContact O-N 3.4Å; A52-S56 VanDerWaalsContact O-N 3.12Å; A52-S56 PolarHBondContact O-OG 3.29Å |
| 53 | S | 97.5 | Very high | 97.3 | Very high | 57 Ų | 57 | 72.3 Ų | 72.3 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 175.1 | -61 | 0 | 0 | 0 | 0 | 111.5 | L49 T50 E51 V55 S56 V57 | L49-S53 WeakPolarHBondContact O-CB 3.28Å; L49-S53 PolarHBondContact O-N 3.09Å; L49-S53 PolarHBondContact O-OG 2.97Å; T50-S53 WeakPolarHBondContact O-CB 3.31Å; T50-S53 PolarHBondContact O-N 2.97Å; E51-S53 VanDerWaalsContact C-N 3.3Å; E51-S53 PolarHBondContact O-N 2.93Å; S53-V55 PolarHBondContact O-N 3.01Å; S53-S56 WeakPolarHBondContact O-CB 3.42Å; S53-S56 PolarHBondContact O-N 3.01Å; S53-S56 VanDerWaalsContact O-N 3.15Å; S53-V57 WeakPolarHBondContact O-CG2 3.4Å; S53-V57 PolarHBondContact O-N 2.72Å |
| 54 | L | 97.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 73.9 Ų | 73.9 | 6% | 0.063 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.8 | 176.9 | 60.5 | 0 | 0 | 0 | 112 | E3 L6 E7 L10 T50 E51 S56 V57 R58 | E3-L54 HydrophobicContact CB-CD1 4.38Å; E3-L54 HydrophobicContact CG-CD1 3.8Å; L6-L54 HydrophobicContact CB-CB 4.38Å; L6-L54 HydrophobicContact CB-CD1 4.14Å; L6-L54 HydrophobicContact CD1-CB 4.28Å; L6-L54 HydrophobicContact CD1-CD1 4.42Å; E7-L54 HydrophobicContact CG-CD1 4.23Å; E7-L54 HydrophobicContact CG-CD2 4.03Å; L10-L54 HydrophobicContact CD1-CD2 3.85Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 PolarHBondContact O-N 2.88Å; E51-L54 PolarHBondContact O-N 3.29Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.39Å; L54-V57 PolarHBondContact O-N 3.01Å; L54-R58 HydrophobicContact CD1-CG 4.36Å; L54-R58 WeakPolarHBondContact O-CB 3.46Å; L54-R58 WeakPolarHBondContact O-CG 3.42Å; L54-R58 PolarHBondContact O-N 3.27Å |
| 55 | V | 98 | Very high | 96.5 | Very high | 97 Ų | 97 | 71.8 Ų | 71.8 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.3 | -41.4 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | E51 S53 K59 | E51-V55 WeakPolarHBondContact O-CG2 3.44Å; E51-V55 PolarHBondContact O-N 3.37Å; S53-V55 PolarHBondContact O-N 3.01Å; V55-K59 WeakPolarHBondContact O-CB 3.02Å; V55-K59 PolarHBondContact O-N 2.77Å |
| 56 | S | 97.6 | Very high | 96.1 | Very high | 75 Ų | 75 | 70 Ų | 70 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | A52 S53 L54 K59 S60 | A52-S56 PolarHBondContact O-N 3.4Å; A52-S56 VanDerWaalsContact O-N 3.12Å; A52-S56 PolarHBondContact O-OG 3.29Å; S53-S56 WeakPolarHBondContact O-CB 3.42Å; S53-S56 PolarHBondContact O-N 3.01Å; S53-S56 VanDerWaalsContact O-N 3.15Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.39Å; S56-K59 PolarHBondContact O-N 2.92Å; S56-S60 PolarHBondContact O-N 3.21Å |
| 57 | V | 96.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 71.2 Ų | 71.2 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.8 | -50 | 176.5 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | E3 L6 S53 L54 K59 S60 S61 | E3-V57 HydrophobicContact CB-CG1 4.36Å; L6-V57 HydrophobicContact CD1-CB 4.33Å; L6-V57 HydrophobicContact CD1-CG2 3.83Å; S53-V57 WeakPolarHBondContact O-CG2 3.4Å; S53-V57 PolarHBondContact O-N 2.72Å; L54-V57 PolarHBondContact O-N 3.01Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 3.04Å; V57-S60 PolarHBondContact O-N 2.99Å; V57-S60 VanDerWaalsContact O-N 3.09Å; V57-S60 PolarHBondContact O-OG 3.45Å; V57-S61 PolarHBondContact O-N 3.43Å |
| 58 | R | 96.4 | Very high | 94.7 | Very high | 103 Ų | 103 | 78.5 Ų | 78.5 | 39% | 0.389 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.6 | -44.5 | 176.3 | -77.7 | 176.6 | 163.4 | 158.7 | 4.6 | 112.5 | E3 E7 L54 S61 L62 | E3-R58 IonicContact OE1-CZ 3.74Å; E3-R58 IonicContact OE1-NE 2.7Å; E3-R58 PolarHBondContact OE1-NE 2.95Å; E3-R58 IonicContact OE1-NH2 2.65Å; E3-R58 PolarHBondContact OE1-NH2 3.36Å; E7-R58 IonicContact OE1-CZ 2.69Å; E7-R58 IonicContact OE1-NH2 3.21Å; E7-R58 PolarHBondContact OE1-NH2 3.48Å; L54-R58 HydrophobicContact CD1-CG 4.36Å; L54-R58 WeakPolarHBondContact O-CB 3.46Å; L54-R58 WeakPolarHBondContact O-CG 3.42Å; L54-R58 PolarHBondContact O-N 3.27Å; R58-S61 PolarHBondContact O-N 3.36Å; R58-L62 WeakPolarHBondContact O-CB 3.35Å; R58-L62 PolarHBondContact O-N 3.36Å |
| 59 | K | 96.8 | Very high | 93.3 | Very high | 142 Ų | 142 | 79.3 Ų | 79.3 | 62% | 0.617 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.7 | -46.8 | 176.2 | -178.3 | -178.3 | 176.6 | -177.2 | 0 | 111.3 | V55 S56 V57 S61 L62 L63 | V55-K59 WeakPolarHBondContact O-CB 3.02Å; V55-K59 PolarHBondContact O-N 2.77Å; S56-K59 PolarHBondContact O-N 2.92Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 3.04Å; K59-S61 VanDerWaalsContact C-N 3.33Å; K59-S61 PolarHBondContact O-N 2.57Å; K59-L62 PolarHBondContact O-N 3.37Å; K59-L63 HydrophobicContact CG-CD1 4.14Å; K59-L63 VanDerWaalsContact O-CG 3.31Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 2.7Å |
| 60 | S | 95.3 | Very high | 91.5 | Very high | 71 Ų | 71 | 82.5 Ų | 82.5 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 179.4 | 71 | 0 | 0 | 0 | 0 | 112.4 | S56 V57 L63 A64 | S56-S60 PolarHBondContact O-N 3.21Å; V57-S60 PolarHBondContact O-N 2.99Å; V57-S60 VanDerWaalsContact O-N 3.09Å; V57-S60 PolarHBondContact O-OG 3.45Å; S60-L63 PolarHBondContact O-N 3.26Å; S60-A64 WeakPolarHBondContact O-CB 3.44Å; S60-A64 PolarHBondContact O-N 2.97Å |
| 61 | S | 92.9 | Very high | 89.3 | Confident | 67 Ų | 67 | 86 Ų | 86 | 47% | 0.469 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 176.4 | -175 | 0 | 0 | 0 | 0 | 111.7 | V57 R58 K59 L63 A64 A65 | V57-S61 PolarHBondContact O-N 3.43Å; R58-S61 PolarHBondContact O-N 3.36Å; K59-S61 VanDerWaalsContact C-N 3.33Å; K59-S61 PolarHBondContact O-N 2.57Å; S61-L63 PolarHBondContact O-N 2.94Å; S61-A64 PolarHBondContact O-N 2.95Å; S61-A65 PolarHBondContact O-N 3.37Å |
| 62 | L | 94.6 | Very high | 87.3 | Confident | 116 Ų | 116 | 86.2 Ų | 86.2 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 176.4 | -170.5 | 96.7 | 0 | 0 | 0 | 111.8 | R58 K59 A64 A65 L66 | R58-L62 WeakPolarHBondContact O-CB 3.35Å; R58-L62 PolarHBondContact O-N 3.36Å; K59-L62 PolarHBondContact O-N 3.37Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A65 PolarHBondContact O-N 2.71Å; L62-L66 HydrophobicContact CD2-CD1 4.4Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 2.9Å |
| 63 | L | 93.9 | Very high | 85.1 | Confident | 82 Ų | 82 | 93.8 Ų | 93.8 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 177.4 | -72.4 | 173.1 | 0 | 0 | 0 | 111.6 | K59 S60 S61 L66 D67 | K59-L63 HydrophobicContact CG-CD1 4.14Å; K59-L63 VanDerWaalsContact O-CG 3.31Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 2.7Å; S60-L63 PolarHBondContact O-N 3.26Å; S61-L63 PolarHBondContact O-N 2.94Å; L63-L66 PolarHBondContact O-N 3.45Å; L63-D67 PolarHBondContact O-N 3.42Å |
| 64 | A | 91.1 | Very high | 83 | Confident | 46 Ų | 46 | 99.1 Ų | 99.1 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S60 S61 L62 L66 D67 E68 | S60-A64 WeakPolarHBondContact O-CB 3.44Å; S60-A64 PolarHBondContact O-N 2.97Å; S61-A64 PolarHBondContact O-N 2.95Å; L62-A64 VanDerWaalsContact C-N 3.34Å; A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 PolarHBondContact O-N 2.76Å; A64-D67 PolarHBondContact O-N 2.65Å; A64-D67 VanDerWaalsContact O-N 3.13Å; A64-E68 WeakPolarHBondContact O-CG 3.42Å; A64-E68 PolarHBondContact O-N 3.16Å |
| 65 | A | 90.8 | Very high | 80.9 | Confident | 39 Ų | 39 | 105.3 Ų | 105.3 | 32% | 0.322 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.8 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | S61 L62 D67 E68 E69 | S61-A65 PolarHBondContact O-N 3.37Å; L62-A65 PolarHBondContact O-N 2.71Å; A65-D67 VanDerWaalsContact C-N 3.34Å; A65-D67 PolarHBondContact O-N 2.69Å; A65-E68 PolarHBondContact O-N 2.7Å; A65-E69 WeakPolarHBondContact O-CB 3.4Å; A65-E69 VanDerWaalsContact O-CG 3.3Å; A65-E69 WeakPolarHBondContact O-CG 3.25Å; A65-E69 PolarHBondContact O-N 2.94Å |
| 66 | L | 90.1 | Very high | 79.2 | Confident | 78 Ų | 78 | 104.4 Ų | 104.4 | 41% | 0.408 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 175 | -71.8 | 173.2 | 0 | 0 | 0 | 113.1 | L62 L63 A64 R70 | L62-L66 HydrophobicContact CD2-CD1 4.4Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 2.9Å; L63-L66 PolarHBondContact O-N 3.45Å; A64-L66 VanDerWaalsContact C-N 3.32Å; A64-L66 PolarHBondContact O-N 2.76Å; L66-R70 WeakPolarHBondContact O-CG 3.3Å; L66-R70 PolarHBondContact O-N 2.87Å |
| 67 | D | 85.7 | Confident | 77.9 | Confident | 93 Ų | 93 | 104.1 Ų | 104.1 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.7 | -29.3 | 175.6 | -74.3 | -15.3 | 0 | 0 | 0 | 112.1 | L63 A64 A65 R70 | L63-D67 PolarHBondContact O-N 3.42Å; A64-D67 PolarHBondContact O-N 2.65Å; A64-D67 VanDerWaalsContact O-N 3.13Å; A65-D67 VanDerWaalsContact C-N 3.34Å; A65-D67 PolarHBondContact O-N 2.69Å; D67-R70 IonicContact OD1-CZ 3.19Å; D67-R70 IonicContact OD1-NE 3.2Å; D67-R70 PolarHBondContact OD1-NE 2.94Å; D67-R70 IonicContact OD1-NH2 3.73Å; D67-R70 PolarHBondContact OD1-NH2 3.48Å |
| 68 | E | 81.2 | Confident | 76.7 | Confident | 169 Ų | 169 | 110.4 Ų | 110.4 | 79% | 0.79 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.7 | -37.2 | 170.1 | -71.2 | 179.8 | 179.4 | 0 | 0 | 112.4 | A64 A65 R70 | A64-E68 WeakPolarHBondContact O-CG 3.42Å; A64-E68 PolarHBondContact O-N 3.16Å; A65-E68 PolarHBondContact O-N 2.7Å; E68-R70 VanDerWaalsContact C-N 3.32Å |
| 69 | E | 69.5 | Low | 75.8 | Confident | 146 Ų | 146 | 112.6 Ų | 112.6 | 68% | 0.682 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.8 | -21.3 | 175.8 | -74.7 | 175.3 | -178.9 | 0 | 0 | 112.9 | A65 P71 | A65-E69 WeakPolarHBondContact O-CB 3.4Å; A65-E69 VanDerWaalsContact O-CG 3.3Å; A65-E69 WeakPolarHBondContact O-CG 3.25Å; A65-E69 PolarHBondContact O-N 2.94Å; E69-P71 WeakPolarHBondContact O-CD 3.48Å |
| 70 | R | 60.5 | Low | 74.9 | Confident | 165 Ų | 165 | 110 Ų | 110 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -64.9 | 114.3 | 168.6 | -89.4 | -171.3 | -108.1 | -162.4 | -0 | 107.8 | L66 D67 E68 G72 | L66-R70 WeakPolarHBondContact O-CG 3.3Å; L66-R70 PolarHBondContact O-N 2.87Å; D67-R70 IonicContact OD1-CZ 3.19Å; D67-R70 IonicContact OD1-NE 3.2Å; D67-R70 PolarHBondContact OD1-NE 2.94Å; D67-R70 IonicContact OD1-NH2 3.73Å; D67-R70 PolarHBondContact OD1-NH2 3.48Å; E68-R70 VanDerWaalsContact C-N 3.32Å; R70-G72 PolarHBondContact O-N 3.3Å |
| 71 | P | 51.7 | Low | 74.4 | Confident | 87 Ų | 87 | 109.1 Ų | 109.1 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | trans | -71.5 | 80 | 177.5 | 30.7 | -31.6 | 0 | 0 | 0 | 108.9 | E69 R73 | E69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-R73 PolarHBondContact O-N 3.13Å; P71-R73 VanDerWaalsContact O-N 3.09Å | ||
| 72 | G | 56.8 | Low | 73.9 | Confident | 75 Ų | 75 | 111.7 Ų | 111.7 | 77% | 0.773 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 103.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | R70 | R70-G72 PolarHBondContact O-N 3.3Š|
| 73 | R | 52.3 | Low | 73.4 | Confident | 214 Ų | 214 | 113.4 Ų | 113.4 | 81% | 0.808 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.7 | 38.8 | 159.5 | -148.3 | -174.4 | -134.9 | -167.2 | 3.3 | 118.1 | P71 | P71-R73 PolarHBondContact O-N 3.13Å; P71-R73 VanDerWaalsContact O-N 3.09Å |
| 74 | Q | 53.3 | Low | 72.9 | Confident | 169 Ų | 169 | 115.8 Ų | 115.8 | 79% | 0.79 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | -21.1 | 154 | -87.3 | -179.4 | -33.1 | 0 | 0 | 113.6 | D76 A77 | Q74-D76 PolarHBondContact O-N 3.4Å; Q74-D76 VanDerWaalsContact O-N 3.13Å; Q74-A77 PolarHBondContact O-N 3.27Å |
| 75 | E | 54.5 | Low | 72.6 | Confident | 143 Ų | 143 | 116.1 Ų | 116.1 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.2 | -19.2 | 173.5 | -64.5 | -178.5 | 167 | 0 | 0 | 113 | A77 Y79 | E75-A77 PolarHBondContact O-N 3.13Å; E75-Y79 WeakPolarHBondContact O-CB 3.25Å; E75-Y79 PolarHBondContact O-N 3.29Å |
| 76 | D | 61 | Low | 72.3 | Confident | 78 Ų | 78 | 118.2 Ų | 118.2 | 42% | 0.417 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.1 | -40.2 | 179.1 | -85.7 | -32.8 | 0 | 0 | 0 | 112.7 | Q74 Q80 | Q74-D76 PolarHBondContact O-N 3.4Å; Q74-D76 VanDerWaalsContact O-N 3.13Å; D76-Q80 VanDerWaalsContact CB-NE2 3.27Å; D76-Q80 VanDerWaalsContact CG-NE2 3.3Å; D76-Q80 WeakPolarHBondContact O-CA 3.32Å; D76-Q80 WeakPolarHBondContact O-CB 3.48Å; D76-Q80 WeakPolarHBondContact O-CG 3.36Å; D76-Q80 PolarHBondContact O-N 3.26Å; D76-Q80 PolarHBondContact OD1-NE2 3.35Å; D76-Q80 VanDerWaalsContact OD1-NE2 3.16Å |
| 77 | A | 71.4 | Confident | 71.8 | Confident | 69 Ų | 69 | 118.6 Ų | 118.6 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.1 | -48.5 | -172 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q74 E75 A81 | Q74-A77 PolarHBondContact O-N 3.27Å; E75-A77 PolarHBondContact O-N 3.13Å; A77-A81 WeakPolarHBondContact O-CB 3.39Å; A77-A81 PolarHBondContact O-N 3.44Å |
| 78 | E | 71.2 | Confident | 71.3 | Confident | 166 Ų | 166 | 121.2 Ų | 121.2 | 78% | 0.776 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.5 | -38.5 | -178.1 | -68.4 | -175.1 | 166.5 | 0 | 0 | 111.8 | F82 | E78-F82 VanDerWaalsContact O-CB 3.24Å; E78-F82 WeakPolarHBondContact O-CB 3.4Å; E78-F82 PolarHBondContact O-N 2.94Å |
| 79 | Y | 76.3 | Confident | 70.6 | Confident | 150 Ų | 150 | 116.5 Ų | 116.5 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.4 | -34.7 | 176.3 | -165 | -104.3 | 0 | 0 | 0 | 111.8 | E75 R83 | E75-Y79 WeakPolarHBondContact O-CB 3.25Å; E75-Y79 PolarHBondContact O-N 3.29Å; Y79-R83 HydrophobicContact CD1-CG 4.31Å; Y79-R83 HydrophobicContact CE1-CG 4.17Å; Y79-R83 WeakPolarHBondContact O-CB 3.24Å; Y79-R83 VanDerWaalsContact O-CG 3.25Å; Y79-R83 WeakPolarHBondContact O-CG 3.07Å; Y79-R83 PolarHBondContact O-N 3.07Å |
| 80 | Q | 79 | Confident | 70.2 | Confident | 88 Ų | 88 | 115 Ų | 115 | 41% | 0.411 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.6 | -45.6 | 171.2 | -68.9 | 165.8 | 19.5 | 0 | 0 | 110.9 | D76 F82 R83 E84 | D76-Q80 VanDerWaalsContact CB-NE2 3.27Å; D76-Q80 VanDerWaalsContact CG-NE2 3.3Å; D76-Q80 WeakPolarHBondContact O-CA 3.32Å; D76-Q80 WeakPolarHBondContact O-CB 3.48Å; D76-Q80 WeakPolarHBondContact O-CG 3.36Å; D76-Q80 PolarHBondContact O-N 3.26Å; D76-Q80 PolarHBondContact OD1-NE2 3.35Å; D76-Q80 VanDerWaalsContact OD1-NE2 3.16Å; Q80-F82 VanDerWaalsContact C-N 3.26Å; Q80-F82 PolarHBondContact O-N 2.8Å; Q80-R83 CarbonylContact O-C 3.59Å; Q80-R83 PolarHBondContact O-N 2.96Å; Q80-R83 VanDerWaalsContact O-N 3.1Å; Q80-E84 WeakPolarHBondContact O-CB 3.35Å; Q80-E84 WeakPolarHBondContact O-CG 2.86Å; Q80-E84 PolarHBondContact O-N 3.37Å |
| 81 | A | 84.1 | Confident | 70.1 | Confident | 51 Ų | 51 | 115.3 Ų | 115.3 | 42% | 0.421 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A77 A85 | A77-A81 WeakPolarHBondContact O-CB 3.39Å; A77-A81 PolarHBondContact O-N 3.44Å; A81-A85 VanDerWaalsContact O-CB 3.23Å; A81-A85 WeakPolarHBondContact O-CB 2.9Å; A81-A85 PolarHBondContact O-N 2.97Å |
| 82 | F | 82.4 | Confident | 70.4 | Confident | 122 Ų | 122 | 114.6 Ų | 114.6 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.2 | -42.5 | 174.4 | -178.3 | -105.9 | 0 | 0 | 0 | 112.4 | E78 Q80 A85 I86 | E78-F82 VanDerWaalsContact O-CB 3.24Å; E78-F82 WeakPolarHBondContact O-CB 3.4Å; E78-F82 PolarHBondContact O-N 2.94Å; Q80-F82 VanDerWaalsContact C-N 3.26Å; Q80-F82 PolarHBondContact O-N 2.8Å; F82-A85 PolarHBondContact O-N 3.48Å; F82-I86 HydrophobicContact CD1-CD1 3.79Å; F82-I86 HydrophobicContact CD2-CD1 4.41Å; F82-I86 HydrophobicContact CE1-CD1 3.26Å; F82-I86 HydrophobicContact CE1-CG1 4.42Å; F82-I86 HydrophobicContact CE2-CD1 3.95Å; F82-I86 HydrophobicContact CE2-CG1 4.49Å; F82-I86 HydrophobicContact CG-CD1 4.35Å; F82-I86 HydrophobicContact CZ-CD1 3.37Å; F82-I86 HydrophobicContact CZ-CG1 4.35Å; F82-I86 WeakPolarHBondContact O-CB 3.4Å; F82-I86 WeakPolarHBondContact O-CG1 3.16Å; F82-I86 PolarHBondContact O-N 2.87Å |
| 83 | R | 84.1 | Confident | 70.3 | Confident | 152 Ų | 152 | 116.8 Ų | 116.8 | 57% | 0.574 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.9 | -39.8 | 175.6 | -76.6 | -178.8 | 66.8 | -168.4 | -0.4 | 112.3 | Y79 Q80 T87 | Y79-R83 HydrophobicContact CD1-CG 4.31Å; Y79-R83 HydrophobicContact CE1-CG 4.17Å; Y79-R83 WeakPolarHBondContact O-CB 3.24Å; Y79-R83 VanDerWaalsContact O-CG 3.25Å; Y79-R83 WeakPolarHBondContact O-CG 3.07Å; Y79-R83 PolarHBondContact O-N 3.07Å; Q80-R83 CarbonylContact O-C 3.59Å; Q80-R83 PolarHBondContact O-N 2.96Å; Q80-R83 VanDerWaalsContact O-N 3.1Å; R83-T87 WeakPolarHBondContact O-CB 3.22Å; R83-T87 PolarHBondContact O-N 3.1Å; R83-T87 PolarHBondContact O-OG1 3.2Å |
| 84 | E | 84.8 | Confident | 70.3 | Confident | 131 Ų | 131 | 111.8 Ų | 111.8 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.4 | -48 | 175 | -74.9 | 178 | 179.6 | 0 | 0 | 110.4 | Q80 I86 T87 E88 | Q80-E84 WeakPolarHBondContact O-CB 3.35Å; Q80-E84 WeakPolarHBondContact O-CG 2.86Å; Q80-E84 PolarHBondContact O-N 3.37Å; E84-I86 VanDerWaalsContact C-N 3.34Å; E84-I86 PolarHBondContact O-N 2.77Å; E84-T87 PolarHBondContact O-N 2.94Å; E84-T87 VanDerWaalsContact O-N 3.07Å; E84-E88 WeakPolarHBondContact O-CB 3.39Å; E84-E88 PolarHBondContact O-N 2.86Å |
| 85 | A | 83.8 | Confident | 70.4 | Confident | 54 Ų | 54 | 108.8 Ų | 108.8 | 45% | 0.446 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.2 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A81 F82 A89 | A81-A85 VanDerWaalsContact O-CB 3.23Å; A81-A85 WeakPolarHBondContact O-CB 2.9Å; A81-A85 PolarHBondContact O-N 2.97Å; F82-A85 PolarHBondContact O-N 3.48Å; A85-A89 VanDerWaalsContact O-CB 3.22Å; A85-A89 WeakPolarHBondContact O-CB 3.23Å; A85-A89 PolarHBondContact O-N 2.84Å |
| 86 | I | 83.5 | Confident | 70.3 | Confident | 82 Ų | 82 | 106.6 Ų | 106.6 | 42% | 0.421 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.9 | -40.5 | 173.8 | -72.6 | 177.1 | 0 | 0 | 0 | 111.1 | F82 E84 A89 V90 | F82-I86 HydrophobicContact CD1-CD1 3.79Å; F82-I86 HydrophobicContact CD2-CD1 4.41Å; F82-I86 HydrophobicContact CE1-CD1 3.26Å; F82-I86 HydrophobicContact CE1-CG1 4.42Å; F82-I86 HydrophobicContact CE2-CD1 3.95Å; F82-I86 HydrophobicContact CE2-CG1 4.49Å; F82-I86 HydrophobicContact CG-CD1 4.35Å; F82-I86 HydrophobicContact CZ-CD1 3.37Å; F82-I86 HydrophobicContact CZ-CG1 4.35Å; F82-I86 WeakPolarHBondContact O-CB 3.4Å; F82-I86 WeakPolarHBondContact O-CG1 3.16Å; F82-I86 PolarHBondContact O-N 2.87Å; E84-I86 VanDerWaalsContact C-N 3.34Å; E84-I86 PolarHBondContact O-N 2.77Å; I86-A89 PolarHBondContact O-N 3.49Å; I86-V90 VanDerWaalsContact O-CG2 3.25Å; I86-V90 WeakPolarHBondContact O-CG2 3.15Å; I86-V90 PolarHBondContact O-N 3.37Å; I86-V90 VanDerWaalsContact O-N 3.13Å |
| 87 | T | 81.6 | Confident | 69.4 | Low | 87 Ų | 87 | 118.4 Ų | 118.4 | 53% | 0.534 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67.6 | -42 | 179.7 | -55.1 | 0 | 0 | 0 | 0 | 111 | R83 E84 V90 E91 | R83-T87 WeakPolarHBondContact O-CB 3.22Å; R83-T87 PolarHBondContact O-N 3.1Å; R83-T87 PolarHBondContact O-OG1 3.2Å; E84-T87 PolarHBondContact O-N 2.94Å; E84-T87 VanDerWaalsContact O-N 3.07Å; T87-V90 PolarHBondContact O-N 3.13Å; T87-E91 PolarHBondContact O-N 2.88Å |
| 88 | E | 73.4 | Confident | 69.3 | Low | 148 Ų | 148 | 120.9 Ų | 120.9 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64 | -40.7 | 174.3 | -173.5 | 177.4 | 176.8 | 0 | 0 | 112.1 | E84 V90 E91 | E84-E88 WeakPolarHBondContact O-CB 3.39Å; E84-E88 PolarHBondContact O-N 2.86Å; E88-V90 VanDerWaalsContact C-N 3.26Å; E88-V90 PolarHBondContact O-N 3.09Å; E88-E91 PolarHBondContact O-N 3.32Å |
| 89 | A | 67.1 | Low | 69.2 | Low | 70 Ų | 70 | 118.5 Ų | 118.5 | 58% | 0.579 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.7 | -24 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A85 I86 | A85-A89 VanDerWaalsContact O-CB 3.22Å; A85-A89 WeakPolarHBondContact O-CB 3.23Å; A85-A89 PolarHBondContact O-N 2.84Å; I86-A89 PolarHBondContact O-N 3.49Å |
| 90 | V | 62 | Low | 68.8 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 70% | 0.697 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83 | -25.3 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 112 | I86 T87 E88 | I86-V90 VanDerWaalsContact O-CG2 3.25Å; I86-V90 WeakPolarHBondContact O-CG2 3.15Å; I86-V90 PolarHBondContact O-N 3.37Å; I86-V90 VanDerWaalsContact O-N 3.13Å; T87-V90 PolarHBondContact O-N 3.13Å; E88-V90 VanDerWaalsContact C-N 3.26Å; E88-V90 PolarHBondContact O-N 3.09Å |
| 91 | E | 57.4 | Low | 68.2 | Low | 170 Ų | 170 | 118.4 Ų | 118.4 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -82.1 | -11.8 | 176.9 | -74 | -162.2 | 158.9 | 0 | 0 | 114.8 | T87 E88 | T87-E91 PolarHBondContact O-N 2.88Å; E88-E91 PolarHBondContact O-N 3.32Å |
| 92 | A | 57.9 | Low | 67.2 | Low | 72 Ų | 72 | 122.6 Ų | 122.6 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | trans | -95.9 | 100.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 93 | P | 54.3 | Low | 66.2 | Low | 121 Ų | 121 | 122.7 Ų | 122.7 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | -156.9 | 124.5 | 83.5 | 35.8 | -14.1 | 0 | 0 | 0 | 116.1 | |||||
| 94 | A | 53.9 | Low | 64.9 | Low | 110 Ų | 110 | 120.6 Ų | 120.6 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -156.5 | 25.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 95 | A | 54.5 | Low | 63.4 | Low | 106 Ų | 106 | 119.8 Ų | 119.8 | 88% | 0.876 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -138.4 | 55.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 96 | A | 53 | Low | 61.7 | Low | 97 Ų | 97 | 125.3 Ų | 125.3 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -155.6 | 82.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 97 | R | 41.4 | Very low | 59.7 | Low | 325 Ų | 325 | 129.2 Ų | 129.2 | 100% | 1.226 | 77% | 0.772 | S | S | * | * | trans | -164.3 | 0 | 145.5 | -113.1 | 176.8 | -175.1 | 167.3 | 3.4 | 110.9 |
Retrieved 97 of 97 residues in 19.1 ms
(Link to these results)