| 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 | 62.7 | Low | 75.5 | Confident | 195 Ų | 195 | 118.4 Ų | 118.4 | 96% | 0.961 | 61% | 0.611 | S | S | * | * | 0 | -47.3 | 0 | -80.2 | -177.6 | 175.9 | 0 | 0 | 109.7 | D3 Y4 Q5 | M1-D3 PolarHBondContact O-N 3.24Å; M1-Y4 PolarHBondContact O-N 3.15Å; M1-Q5 PolarHBondContact O-N 2.62Å | |||
| 2 | E | 65.1 | Low | 77.2 | Confident | 162 Ų | 162 | 110.7 Ų | 110.7 | 76% | 0.757 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -56.6 | -45.7 | 175.2 | -65.6 | 177.4 | 169.2 | 0 | 0 | 113.4 | Y4 Q5 A6 | E2-Y4 PolarHBondContact O-N 2.91Å; E2-Q5 PolarHBondContact O-N 3.13Å; E2-Q5 VanDerWaalsContact O-N 3.12Å; E2-A6 PolarHBondContact O-N 3.46Å; E2-A6 VanDerWaalsContact O-N 3.11Å |
| 3 | D | 70.7 | Confident | 78.7 | Confident | 138 Ų | 138 | 105.6 Ų | 105.6 | 74% | 0.738 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.9 | -32.6 | 179.1 | -62.2 | -40.8 | 0 | 0 | 0 | 113.8 | M1 A7 | M1-D3 PolarHBondContact O-N 3.24Å; D3-A7 PolarHBondContact O-N 2.83Å |
| 4 | Y | 69.1 | Low | 80 | Confident | 190 Ų | 190 | 103.1 Ų | 103.1 | 75% | 0.745 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.5 | -37.1 | 179.2 | -74.8 | -84.3 | 0 | 0 | 0 | 111.9 | M1 E2 E8 | M1-Y4 PolarHBondContact O-N 3.15Å; E2-Y4 PolarHBondContact O-N 2.91Å; Y4-E8 PolarHBondContact O-N 2.8Å |
| 5 | Q | 68.7 | Low | 81.1 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.7 | -43.1 | 177.7 | -73.7 | 174.5 | -45.4 | 0 | 0 | 111.1 | M1 E2 A7 E8 E9 | M1-Q5 PolarHBondContact O-N 2.62Å; E2-Q5 PolarHBondContact O-N 3.13Å; E2-Q5 VanDerWaalsContact O-N 3.12Å; Q5-A7 VanDerWaalsContact C-N 3.3Å; Q5-A7 PolarHBondContact O-N 2.72Å; Q5-E8 PolarHBondContact O-N 3.12Å; Q5-E9 WeakPolarHBondContact O-CG 3.22Å; Q5-E9 PolarHBondContact O-N 2.86Å |
| 6 | A | 74 | Confident | 82.2 | Confident | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2 E9 T10 | E2-A6 PolarHBondContact O-N 3.46Å; E2-A6 VanDerWaalsContact O-N 3.11Å; A6-E9 PolarHBondContact O-N 2.83Å; A6-T10 PolarHBondContact O-N 2.8Å; A6-T10 PolarHBondContact O-OG1 3.01Å |
| 7 | A | 77.3 | Confident | 83.1 | Confident | 54 Ų | 54 | 96.1 Ų | 96.1 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D3 Q5 E9 T10 A11 | D3-A7 PolarHBondContact O-N 2.83Å; Q5-A7 VanDerWaalsContact C-N 3.3Å; Q5-A7 PolarHBondContact O-N 2.72Å; A7-E9 VanDerWaalsContact C-N 3.33Å; A7-E9 PolarHBondContact O-N 2.84Å; A7-T10 PolarHBondContact O-N 2.83Å; A7-T10 PolarHBondContact O-OG1 3.08Å; A7-A11 VanDerWaalsContact O-CB 3.27Å; A7-A11 WeakPolarHBondContact O-CB 3.47Å; A7-A11 PolarHBondContact O-N 2.91Å |
| 8 | E | 77.3 | Confident | 84 | Confident | 133 Ų | 133 | 91.8 Ų | 91.8 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.8 | -35.5 | 177.7 | -168.1 | 172.7 | -165.9 | 0 | 0 | 112.4 | Y4 Q5 T10 A11 | Y4-E8 PolarHBondContact O-N 2.8Å; Q5-E8 PolarHBondContact O-N 3.12Å; E8-T10 VanDerWaalsContact C-N 3.26Å; E8-T10 PolarHBondContact O-N 3.27Å; E8-A11 PolarHBondContact O-N 3.18Å |
| 9 | E | 82.6 | Confident | 84.7 | Confident | 140 Ų | 140 | 91.3 Ų | 91.3 | 65% | 0.654 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.2 | -29.2 | 175.7 | -75.7 | 179 | -176.8 | 0 | 0 | 112.9 | Q5 A6 A7 K59 | Q5-E9 WeakPolarHBondContact O-CG 3.22Å; Q5-E9 PolarHBondContact O-N 2.86Å; A6-E9 PolarHBondContact O-N 2.83Å; A7-E9 VanDerWaalsContact C-N 3.33Å; A7-E9 PolarHBondContact O-N 2.84Å; E9-K59 WeakPolarHBondContact O-CE 3.44Å; E9-K59 WeakPolarHBondContact O-CG 3.27Å |
| 10 | T | 89 | Confident | 85.4 | Confident | 75 Ų | 75 | 87.7 Ų | 87.7 | 46% | 0.46 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -100.7 | -13.9 | -179.2 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | A6 A7 E8 P60 F61 | A6-T10 PolarHBondContact O-N 2.8Å; A6-T10 PolarHBondContact O-OG1 3.01Å; A7-T10 PolarHBondContact O-N 2.83Å; A7-T10 PolarHBondContact O-OG1 3.08Å; E8-T10 VanDerWaalsContact C-N 3.26Å; E8-T10 PolarHBondContact O-N 3.27Å; T10-P60 HydrophobicContact CG2-CG 4.27Å; T10-F61 VanDerWaalsContact O-CE2 3.24Å; T10-F61 WeakPolarHBondContact O-CE2 3.42Å; T10-F61 WeakPolarHBondContact O-CZ 3.2Å |
| 11 | A | 93.9 | Very high | 86.1 | Confident | 40 Ų | 40 | 83.5 Ų | 83.5 | 33% | 0.331 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -74.5 | 147 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A7 E8 V13 K59 | A7-A11 VanDerWaalsContact O-CB 3.27Å; A7-A11 WeakPolarHBondContact O-CB 3.47Å; A7-A11 PolarHBondContact O-N 2.91Å; E8-A11 PolarHBondContact O-N 3.18Å; A11-V13 HydrophobicContact CB-CG2 4.5Å; A11-V13 PolarHBondContact O-N 3.18Å; A11-V13 VanDerWaalsContact O-N 3.13Å; A11-K59 WeakPolarHBondContact O-CD 3.45Å; A11-K59 PolarHBondContact O-NZ 3.37Å |
| 12 | F | 96.3 | Very high | 87.8 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 11% | 0.114 | 41% | 0.411 | C | S | . | . | trans | -74.7 | 97.7 | 167.2 | -173.9 | -89.5 | 0 | 0 | 0 | 109.7 | V14 V17 F61 C93 | F12-V14 HydrophobicContact CD1-CG2 4.1Å; F12-V14 HydrophobicContact CE1-CG2 4.09Å; F12-V14 PolarHBondContact O-N 2.9Å; F12-V17 HydrophobicContact CD2-CG2 4.24Å; F12-V17 HydrophobicContact CE1-CB 4.47Å; F12-V17 HydrophobicContact CE1-CG2 4.16Å; F12-V17 HydrophobicContact CE2-CG1 4.38Å; F12-V17 HydrophobicContact CE2-CG2 3.73Å; F12-V17 HydrophobicContact CZ-CB 4.06Å; F12-V17 HydrophobicContact CZ-CG1 3.85Å; F12-V17 HydrophobicContact CZ-CG2 3.69Å; F12-F61 HydrophobicContact CB-CE1 4.42Å; F12-F61 HydrophobicContact CB-CE2 4.07Å; F12-F61 HydrophobicContact CB-CZ 3.79Å; F12-C93 HydrophobicContact CE1-CB 4.22Å; F12-C93 HydrophobicContact CZ-CB 4.22Å | ||
| 13 | V | 96.3 | Very high | 89.3 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | trans | -87.4 | 105 | -177.8 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | A11 D15 E16 V17 | A11-V13 HydrophobicContact CB-CG2 4.5Å; A11-V13 PolarHBondContact O-N 3.18Å; A11-V13 VanDerWaalsContact O-N 3.13Å; V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.17Å; V13-E16 HydrophobicContact CB-CB 3.94Å; V13-E16 HydrophobicContact CG1-CB 3.88Å; V13-E16 WeakPolarHBondContact O-CB 3.42Å; V13-E16 PolarHBondContact O-N 3.48Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.82Å | ||
| 14 | V | 96.6 | Very high | 90.7 | Very high | 71 Ų | 71 | 71 Ų | 71 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.6 | -39.7 | -173.6 | 176.7 | 0 | 0 | 0 | 0 | 112.6 | F12 V17 S18 C93 | F12-V14 HydrophobicContact CD1-CG2 4.1Å; F12-V14 HydrophobicContact CE1-CG2 4.09Å; F12-V14 PolarHBondContact O-N 2.9Å; V14-V17 PolarHBondContact O-N 3.19Å; V14-S18 WeakPolarHBondContact O-CB 3.43Å; V14-S18 PolarHBondContact O-N 3.39Å; V14-C93 HydrophobicContact CG1-CB 4.22Å |
| 15 | D | 97.6 | Very high | 92.1 | Very high | 121 Ų | 121 | 61.9 Ų | 61.9 | 65% | 0.647 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69 | -39.5 | -179.5 | -73.2 | -25.1 | 0 | 0 | 0 | 112.3 | V13 S18 N19 | V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.17Å; D15-S18 PolarHBondContact O-N 3.48Å; D15-N19 PolarHBondContact O-N 3.39Å; D15-N19 PolarHBondContact O-ND2 2.91Å |
| 16 | E | 97.3 | Very high | 93.5 | Very high | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 174.2 | 178.7 | 178.6 | -137.8 | 0 | 0 | 110.5 | V13 S18 N19 I20 L57 K59 | V13-E16 HydrophobicContact CB-CB 3.94Å; V13-E16 HydrophobicContact CG1-CB 3.88Å; V13-E16 WeakPolarHBondContact O-CB 3.42Å; V13-E16 PolarHBondContact O-N 3.48Å; E16-S18 PolarHBondContact O-N 3.26Å; E16-N19 PolarHBondContact O-N 3.21Å; E16-I20 HydrophobicContact CG-CD1 4.44Å; E16-I20 WeakPolarHBondContact O-CG1 3.5Å; E16-I20 PolarHBondContact O-N 2.82Å; E16-I20 VanDerWaalsContact O-N 3.09Å; E16-L57 HydrophobicContact CG-CD1 4.19Å; E16-L57 HydrophobicContact CG-CD2 4.38Å; E16-L57 VanDerWaalsContact OE1-CD2 3.28Å; E16-L57 WeakPolarHBondContact OE1-CD2 3.17Å; E16-K59 IonicContact OE2-NZ 2.82Å; E16-K59 PolarHBondContact OE2-NZ 2.79Å |
| 17 | V | 98.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | F12 V13 V14 N19 I20 V21 L54 C93 A108 | F12-V17 HydrophobicContact CD2-CG2 4.24Å; F12-V17 HydrophobicContact CE1-CB 4.47Å; F12-V17 HydrophobicContact CE1-CG2 4.16Å; F12-V17 HydrophobicContact CE2-CG1 4.38Å; F12-V17 HydrophobicContact CE2-CG2 3.73Å; F12-V17 HydrophobicContact CZ-CB 4.06Å; F12-V17 HydrophobicContact CZ-CG1 3.85Å; F12-V17 HydrophobicContact CZ-CG2 3.69Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.82Å; V14-V17 PolarHBondContact O-N 3.19Å; V17-N19 VanDerWaalsContact C-N 3.31Å; V17-N19 PolarHBondContact O-N 2.94Å; V17-I20 PolarHBondContact O-N 3.12Å; V17-V21 HydrophobicContact CG1-CG2 4.37Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.35Å; V17-L54 HydrophobicContact CB-CD2 4.3Å; V17-L54 HydrophobicContact CG1-CD2 4.05Å; V17-L54 HydrophobicContact CG2-CD2 3.76Å; V17-C93 HydrophobicContact CB-CB 4.22Å; V17-C93 HydrophobicContact CG1-CB 3.71Å; V17-A108 HydrophobicContact CG1-CB 3.78Å |
| 18 | S | 98.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 60.2 Ų | 60.2 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 177.7 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | V14 D15 E16 V21 K22 | V14-S18 WeakPolarHBondContact O-CB 3.43Å; V14-S18 PolarHBondContact O-N 3.39Å; D15-S18 PolarHBondContact O-N 3.48Å; E16-S18 PolarHBondContact O-N 3.26Å; S18-V21 PolarHBondContact O-N 2.95Å; S18-K22 VanDerWaalsContact O-CG 3.25Å; S18-K22 WeakPolarHBondContact O-CG 3.1Å; S18-K22 PolarHBondContact O-N 2.82Å; S18-K22 WeakPolarHBondContact OG-CE 3.41Å; S18-K22 PolarHBondContact OG-NZ 3Å |
| 19 | N | 98.6 | Very high | 96.6 | Very high | 82 Ų | 82 | 54 Ų | 54 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 178 | -69.3 | -23.6 | 0 | 0 | 0 | 111.8 | D15 E16 V17 V21 K22 E23 | D15-N19 PolarHBondContact O-N 3.39Å; D15-N19 PolarHBondContact O-ND2 2.91Å; E16-N19 PolarHBondContact O-N 3.21Å; V17-N19 VanDerWaalsContact C-N 3.31Å; V17-N19 PolarHBondContact O-N 2.94Å; N19-V21 VanDerWaalsContact C-N 3.28Å; N19-V21 PolarHBondContact O-N 3.09Å; N19-K22 PolarHBondContact O-N 3.32Å; N19-E23 WeakPolarHBondContact O-CG 3.33Å; N19-E23 PolarHBondContact O-N 3.18Å |
| 20 | I | 98.7 | Very high | 97 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.8 | -47 | 173.6 | -73.3 | 168.8 | 0 | 0 | 0 | 111.1 | E16 V17 E23 A24 T50 Q53 L54 L57 | E16-I20 HydrophobicContact CG-CD1 4.44Å; E16-I20 WeakPolarHBondContact O-CG1 3.5Å; E16-I20 PolarHBondContact O-N 2.82Å; E16-I20 VanDerWaalsContact O-N 3.09Å; V17-I20 PolarHBondContact O-N 3.12Å; I20-E23 PolarHBondContact O-N 3.27Å; I20-A24 WeakPolarHBondContact O-CB 3.48Å; I20-A24 PolarHBondContact O-N 3.19Å; I20-T50 HydrophobicContact CG2-CG2 4.28Å; I20-Q53 HydrophobicContact CB-CB 4.44Å; I20-Q53 HydrophobicContact CD1-CB 4.17Å; I20-Q53 HydrophobicContact CG1-CB 4.12Å; I20-Q53 HydrophobicContact CG2-CB 3.52Å; I20-Q53 HydrophobicContact CG2-CG 4.29Å; I20-L54 HydrophobicContact CD1-CD2 4.02Å; I20-L54 HydrophobicContact CG2-CG 4.44Å; I20-L57 HydrophobicContact CD1-CD1 3.89Å; I20-L57 HydrophobicContact CD1-CD2 4.19Å; I20-L57 HydrophobicContact CD1-CG 4.23Å |
| 21 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | -179.6 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | V17 S18 N19 E23 A24 I25 T50 V95 V106 A108 | V17-V21 HydrophobicContact CG1-CG2 4.37Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.35Å; S18-V21 PolarHBondContact O-N 2.95Å; N19-V21 VanDerWaalsContact C-N 3.28Å; N19-V21 PolarHBondContact O-N 3.09Å; V21-E23 PolarHBondContact O-N 2.95Å; V21-A24 PolarHBondContact O-N 3.32Å; V21-I25 HydrophobicContact CG1-CD1 3.85Å; V21-I25 HydrophobicContact CG1-CG1 4.46Å; V21-I25 VanDerWaalsContact O-CG1 3.26Å; V21-I25 WeakPolarHBondContact O-CG1 3.45Å; V21-I25 PolarHBondContact O-N 3.22Å; V21-T50 HydrophobicContact CG2-CG2 3.68Å; V21-V95 HydrophobicContact CB-CB 4.36Å; V21-V95 HydrophobicContact CB-CG2 3.85Å; V21-V95 HydrophobicContact CG1-CB 3.58Å; V21-V95 HydrophobicContact CG1-CG1 4.16Å; V21-V95 HydrophobicContact CG1-CG2 3.62Å; V21-V106 HydrophobicContact CG1-CB 3.56Å; V21-V106 HydrophobicContact CG1-CG1 3.59Å; V21-V106 HydrophobicContact CG1-CG2 4.2Å; V21-V106 HydrophobicContact CG2-CG1 4.32Å; V21-A108 HydrophobicContact CG2-CB 4.39Å |
| 22 | K | 98.4 | Very high | 97.4 | Very high | 98 Ų | 98 | 49.9 Ų | 49.9 | 43% | 0.426 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.4 | -73.1 | 167.9 | -169.9 | 164.3 | 0 | 111.9 | S18 N19 I25 E26 V95 | S18-K22 VanDerWaalsContact O-CG 3.25Å; S18-K22 WeakPolarHBondContact O-CG 3.1Å; S18-K22 PolarHBondContact O-N 2.82Å; S18-K22 WeakPolarHBondContact OG-CE 3.41Å; S18-K22 PolarHBondContact OG-NZ 3Å; N19-K22 PolarHBondContact O-N 3.32Å; K22-I25 PolarHBondContact O-N 2.98Å; K22-E26 PolarHBondContact O-N 3.4Å; K22-V95 HydrophobicContact CG-CG1 3.83Å |
| 23 | E | 98.4 | Very high | 97.5 | Very high | 130 Ų | 130 | 51.2 Ų | 51.2 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 177.3 | -72.1 | 176.9 | -172.7 | 0 | 0 | 111.7 | N19 I20 V21 I25 E26 S27 | N19-E23 WeakPolarHBondContact O-CG 3.33Å; N19-E23 PolarHBondContact O-N 3.18Å; I20-E23 PolarHBondContact O-N 3.27Å; V21-E23 PolarHBondContact O-N 2.95Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.3Å; E23-E26 PolarHBondContact O-N 2.96Å; E23-S27 WeakPolarHBondContact O-CB 3.32Å; E23-S27 PolarHBondContact O-N 3.01Å |
| 24 | A | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I20 V21 A28 Q49 T50 | I20-A24 WeakPolarHBondContact O-CB 3.48Å; I20-A24 PolarHBondContact O-N 3.19Å; V21-A24 PolarHBondContact O-N 3.32Å; A24-A28 VanDerWaalsContact O-CB 3.28Å; A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 3.47Å; A24-Q49 HydrophobicContact CB-CB 3.87Å; A24-T50 WeakPolarHBondContact CB-OG1 3.49Å |
| 25 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 175 | -67.9 | 166 | 0 | 0 | 0 | 110.9 | V21 K22 E23 S27 A28 I29 G30 V46 V95 W97 C104 V106 | V21-I25 HydrophobicContact CG1-CD1 3.85Å; V21-I25 HydrophobicContact CG1-CG1 4.46Å; V21-I25 VanDerWaalsContact O-CG1 3.26Å; V21-I25 WeakPolarHBondContact O-CG1 3.45Å; V21-I25 PolarHBondContact O-N 3.22Å; K22-I25 PolarHBondContact O-N 2.98Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.3Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.49Å; I25-A28 PolarHBondContact O-N 2.96Å; I25-I29 HydrophobicContact CG2-CD1 4.27Å; I25-I29 WeakPolarHBondContact O-CB 3.39Å; I25-I29 PolarHBondContact O-N 3.42Å; I25-G30 PolarHBondContact O-N 3.33Å; I25-V46 HydrophobicContact CG1-CG1 4.08Å; I25-V46 HydrophobicContact CG1-CG2 4.39Å; I25-V95 HydrophobicContact CD1-CG1 4.01Å; I25-W97 HydrophobicContact CD1-CB 3.95Å; I25-W97 HydrophobicContact CG2-CB 3.88Å; I25-W97 HydrophobicContact CG2-CD2 3.55Å; I25-W97 HydrophobicContact CG2-CE3 4.01Å; I25-W97 HydrophobicContact CG2-CG 3.5Å; I25-W97 VanDerWaalsContact CG2-CG 3.5Å; I25-C104 HydrophobicContact CG2-CB 4.5Å; I25-V106 HydrophobicContact CD1-CB 4.33Å; I25-V106 HydrophobicContact CD1-CG2 3.69Å; I25-V106 HydrophobicContact CG1-CG2 3.89Å |
| 26 | E | 97.7 | Very high | 97.7 | Very high | 104 Ų | 104 | 53.4 Ų | 53.4 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | -178.1 | -166.3 | 60.5 | -146 | 0 | 0 | 111.7 | K22 E23 G30 W97 | K22-E26 PolarHBondContact O-N 3.4Å; E23-E26 PolarHBondContact O-N 2.96Å; E26-G30 WeakPolarHBondContact O-CA 3.15Å; E26-G30 PolarHBondContact O-N 3.42Å; E26-G30 WeakPolarHBondContact OE1-CA 3.36Å; E26-W97 PolarHBondContact OE2-NE1 3.34Å |
| 27 | S | 98 | Very high | 97.8 | Very high | 80 Ų | 80 | 55 Ų | 55 | 56% | 0.559 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 175.6 | 168.5 | 0 | 0 | 0 | 0 | 112.8 | E23 I25 Q49 | E23-S27 WeakPolarHBondContact O-CB 3.32Å; E23-S27 PolarHBondContact O-N 3.01Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.49Å; S27-Q49 VanDerWaalsContact CB-OE1 3.25Å; S27-Q49 PolarHBondContact OG-NE2 3.37Å; S27-Q49 PolarHBondContact OG-OE1 3.04Å |
| 28 | A | 97.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -80.4 | -41 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A24 I25 W42 N45 V46 | A24-A28 VanDerWaalsContact O-CB 3.28Å; A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 3.47Å; I25-A28 PolarHBondContact O-N 2.96Å; A28-W42 PolarHBondContact O-NE1 2.85Å; A28-N45 HydrophobicContact CB-CB 3.77Å; A28-V46 HydrophobicContact CB-CG2 3.55Å |
| 29 | I | 97.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -53.6 | -170.6 | -60.3 | 175.9 | 0 | 0 | 0 | 110.9 | I25 G31 N32 W42 V46 I69 W97 M102 C104 | I25-I29 HydrophobicContact CG2-CD1 4.27Å; I25-I29 WeakPolarHBondContact O-CB 3.39Å; I25-I29 PolarHBondContact O-N 3.42Å; I29-G31 PolarHBondContact O-N 2.98Å; I29-N32 WeakPolarHBondContact O-CB 3.47Å; I29-N32 PolarHBondContact O-N 3.38Å; I29-N32 VanDerWaalsContact O-N 3.17Å; I29-N32 PolarHBondContact O-ND2 3.02Å; I29-W42 HydrophobicContact CD1-CB 4.41Å; I29-W42 HydrophobicContact CG1-CB 3.9Å; I29-W42 HydrophobicContact CG1-CD2 4.29Å; I29-W42 HydrophobicContact CG1-CG 3.92Å; I29-V46 HydrophobicContact CD1-CG2 4.45Å; I29-I69 HydrophobicContact CD1-CD1 3.61Å; I29-I69 HydrophobicContact CD1-CG1 4.18Å; I29-I69 HydrophobicContact CG1-CD1 4.39Å; I29-W97 HydrophobicContact CB-CH2 4.44Å; I29-W97 HydrophobicContact CG2-CH2 3.69Å; I29-W97 HydrophobicContact CG2-CZ3 3.84Å; I29-M102 HydrophobicContact CG2-CE 3.2Å; I29-M102 HydrophobicContact CG2-SD 4.21Å; I29-C104 HydrophobicContact CD1-CB 4.04Å |
| 30 | G | 92.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | -134.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | I25 E26 N32 W97 | I25-G30 PolarHBondContact O-N 3.33Å; E26-G30 WeakPolarHBondContact O-CA 3.15Å; E26-G30 PolarHBondContact O-N 3.42Å; E26-G30 WeakPolarHBondContact OE1-CA 3.36Å; G30-N32 PolarHBondContact O-N 2.98Å; G30-W97 VanDerWaalsContact O-CH2 3.3Å; G30-W97 WeakPolarHBondContact O-CH2 3.35Å; G30-W97 WeakPolarHBondContact O-CZ2 3.32Å |
| 31 | G | 94 | Very high | 97.8 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 83% | 0.825 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I29 | I29-G31 PolarHBondContact O-N 2.98Š|
| 32 | N | 97.8 | Very high | 97.7 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 140.4 | -175.9 | -73.1 | -77.1 | 0 | 0 | 0 | 112.1 | I29 G30 W42 N99 M102 | I29-N32 WeakPolarHBondContact O-CB 3.47Å; I29-N32 PolarHBondContact O-N 3.38Å; I29-N32 VanDerWaalsContact O-N 3.17Å; I29-N32 PolarHBondContact O-ND2 3.02Å; G30-N32 PolarHBondContact O-N 2.98Å; N32-W42 HydrophobicContact CB-CH2 4.26Å; N32-W42 HydrophobicContact CB-CZ2 3.74Å; N32-N99 PolarHBondContact O-ND2 2.83Å; N32-M102 WeakPolarHBondContact O-CE 3.37Å |
| 33 | A | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 150 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q35 W42 T101 | A33-Q35 PolarHBondContact O-N 3.47Å; A33-W42 WeakPolarHBondContact O-CH2 3.43Å; A33-T101 WeakPolarHBondContact CA-OG1 3.27Å; A33-T101 HydrophobicContact CB-CG2 4.15Å |
| 34 | Y | 98.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 18% | 0.18 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 126.6 | 178.1 | 179 | -92.4 | 0 | 0 | 0 | 111.7 | H36 V39 I69 Q71 T101 M102 | Y34-H36 HydrophobicContact CE1-CB 4.05Å; Y34-H36 PolarHBondContact OH-ND1 2.89Å; Y34-V39 HydrophobicContact CD2-CG2 4.29Å; Y34-V39 HydrophobicContact CE2-CG2 3.5Å; Y34-V39 VanDerWaalsContact CE2-CG2 3.5Å; Y34-I69 HydrophobicContact CD2-CG2 4.35Å; Y34-I69 HydrophobicContact CE2-CG2 4.33Å; Y34-Q71 HydrophobicContact CD1-CB 3.79Å; Y34-Q71 HydrophobicContact CD1-CG 3.56Å; Y34-Q71 HydrophobicContact CD2-CB 4.01Å; Y34-Q71 HydrophobicContact CD2-CG 4.44Å; Y34-Q71 HydrophobicContact CE1-CB 3.67Å; Y34-Q71 HydrophobicContact CE1-CG 3.84Å; Y34-Q71 HydrophobicContact CE2-CB 3.9Å; Y34-Q71 HydrophobicContact CG-CB 3.95Å; Y34-Q71 HydrophobicContact CG-CG 3.88Å; Y34-T101 PolarHBondContact N-OG1 3.24Å; Y34-M102 HydrophobicContact CD2-CB 3.93Å; Y34-M102 HydrophobicContact CD2-SD 4.06Å; Y34-M102 HydrophobicContact CG-CB 4.45Å |
| 35 | Q | 98.1 | Very high | 97.8 | Very high | 91 Ų | 91 | 60.6 Ų | 60.6 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | trans | -134.9 | 115.9 | 170.8 | -66.6 | 178.5 | 24.3 | 0 | 0 | 108.1 | A33 S37 K38 V39 W42 | A33-Q35 PolarHBondContact O-N 3.47Å; Q35-S37 PolarHBondContact O-N 3.46Å; Q35-K38 HydrophobicContact CB-CB 4.12Å; Q35-K38 HydrophobicContact CB-CG 3.95Å; Q35-K38 WeakPolarHBondContact O-CB 3.45Å; Q35-K38 PolarHBondContact O-N 3.34Å; Q35-V39 PolarHBondContact O-N 2.85Å; Q35-W42 HydrophobicContact CB-CH2 4.22Å | ||
| 36 | H | 98 | Very high | 97.8 | Very high | 145 Ų | 145 | 60.6 Ų | 60.6 | 67% | 0.671 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56.4 | -38.2 | -175.5 | -175.6 | 59.3 | 0 | 0 | 0 | 112.8 | Y34 K38 V39 | Y34-H36 HydrophobicContact CE1-CB 4.05Å; Y34-H36 PolarHBondContact OH-ND1 2.89Å; H36-K38 PolarHBondContact O-N 3.5Å; H36-V39 WeakPolarHBondContact O-CB 3.21Å; H36-V39 PolarHBondContact O-N 2.91Å |
| 37 | S | 98.3 | Very high | 97.8 | Very high | 102 Ų | 102 | 57.4 Ų | 57.4 | 71% | 0.713 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.8 | -18.4 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | Q35 | Q35-S37 PolarHBondContact O-N 3.46Å |
| 38 | K | 98.3 | Very high | 97.9 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -97 | -14.4 | 178.6 | -67.3 | -68.7 | -176.6 | 177.8 | 0 | 113.6 | Q35 H36 N40 Q41 W42 | Q35-K38 HydrophobicContact CB-CB 4.12Å; Q35-K38 HydrophobicContact CB-CG 3.95Å; Q35-K38 WeakPolarHBondContact O-CB 3.45Å; Q35-K38 PolarHBondContact O-N 3.34Å; H36-K38 PolarHBondContact O-N 3.5Å; K38-N40 PolarHBondContact O-N 2.81Å; K38-Q41 WeakPolarHBondContact O-CB 3.36Å; K38-Q41 PolarHBondContact O-N 3.37Å; K38-Q41 VanDerWaalsContact O-N 3.09Å; K38-W42 HydrophobicContact CB-CD2 3.88Å; K38-W42 HydrophobicContact CB-CE3 4.01Å; K38-W42 HydrophobicContact CB-CH2 3.67Å; K38-W42 HydrophobicContact CB-CZ2 3.54Å; K38-W42 HydrophobicContact CB-CZ3 3.91Å; K38-W42 HydrophobicContact CG-CH2 4.42Å; K38-W42 HydrophobicContact CG-CZ2 4.12Å; K38-W42 PolarHBondContact O-N 3.47Å |
| 39 | V | 98.5 | Very high | 97.9 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.4 | -48.7 | -174.8 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | Y34 Q35 H36 Q41 W42 T43 I69 | Y34-V39 HydrophobicContact CD2-CG2 4.29Å; Y34-V39 HydrophobicContact CE2-CG2 3.5Å; Y34-V39 VanDerWaalsContact CE2-CG2 3.5Å; Q35-V39 PolarHBondContact O-N 2.85Å; H36-V39 WeakPolarHBondContact O-CB 3.21Å; H36-V39 PolarHBondContact O-N 2.91Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 2.86Å; V39-W42 HydrophobicContact CG2-CE3 4.44Å; V39-W42 PolarHBondContact O-N 2.96Å; V39-W42 VanDerWaalsContact O-N 3.16Å; V39-T43 HydrophobicContact CG1-CG2 4.25Å; V39-T43 WeakPolarHBondContact O-CG2 3.25Å; V39-T43 PolarHBondContact O-N 2.93Å; V39-T43 PolarHBondContact O-OG1 3.33Å; V39-T43 VanDerWaalsContact O-OG1 3.12Å; V39-I69 HydrophobicContact CG1-CB 4.12Å; V39-I69 HydrophobicContact CG2-CG2 4.34Å |
| 40 | N | 98.4 | Very high | 98 | Very high | 126 Ų | 126 | 61.7 Ų | 61.7 | 67% | 0.674 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60 | -41.4 | 179.5 | -69.4 | -17.7 | 0 | 0 | 0 | 112.3 | K38 T43 T44 | K38-N40 PolarHBondContact O-N 2.81Å; N40-T43 WeakPolarHBondContact CA-OG1 3.15Å; N40-T43 PolarHBondContact O-OG1 3.05Å; N40-T44 WeakPolarHBondContact O-CB 3.46Å; N40-T44 PolarHBondContact O-N 2.99Å; N40-T44 PolarHBondContact O-OG1 3.44Å |
| 41 | Q | 98.5 | Very high | 98.3 | Very high | 94 Ų | 94 | 64 Ų | 64 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 176.8 | -176.9 | -176.6 | 3 | 0 | 0 | 110.7 | K38 V39 N45 | K38-Q41 WeakPolarHBondContact O-CB 3.36Å; K38-Q41 PolarHBondContact O-N 3.37Å; K38-Q41 VanDerWaalsContact O-N 3.09Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 2.86Å; Q41-N45 WeakPolarHBondContact O-CB 3.49Å; Q41-N45 PolarHBondContact O-N 3.16Å; Q41-N45 PolarHBondContact O-OD1 3.34Å |
| 42 | W | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 62.6 Ų | 62.6 | 5% | 0.045 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 178.9 | -67.1 | -32.8 | 0 | 0 | 0 | 112.4 | A28 I29 N32 A33 Q35 K38 V39 T44 N45 V46 I69 M102 | A28-W42 PolarHBondContact O-NE1 2.85Å; I29-W42 HydrophobicContact CD1-CB 4.41Å; I29-W42 HydrophobicContact CG1-CB 3.9Å; I29-W42 HydrophobicContact CG1-CD2 4.29Å; I29-W42 HydrophobicContact CG1-CG 3.92Å; N32-W42 HydrophobicContact CB-CH2 4.26Å; N32-W42 HydrophobicContact CB-CZ2 3.74Å; A33-W42 WeakPolarHBondContact O-CH2 3.43Å; Q35-W42 HydrophobicContact CB-CH2 4.22Å; K38-W42 HydrophobicContact CB-CD2 3.88Å; K38-W42 HydrophobicContact CB-CE3 4.01Å; K38-W42 HydrophobicContact CB-CH2 3.67Å; K38-W42 HydrophobicContact CB-CZ2 3.54Å; K38-W42 HydrophobicContact CB-CZ3 3.91Å; K38-W42 HydrophobicContact CG-CH2 4.42Å; K38-W42 HydrophobicContact CG-CZ2 4.12Å; K38-W42 PolarHBondContact O-N 3.47Å; V39-W42 HydrophobicContact CG2-CE3 4.44Å; V39-W42 PolarHBondContact O-N 2.96Å; V39-W42 VanDerWaalsContact O-N 3.16Å; W42-T44 VanDerWaalsContact C-N 3.34Å; W42-T44 PolarHBondContact O-N 2.84Å; W42-N45 PolarHBondContact O-N 2.83Å; W42-V46 WeakPolarHBondContact O-CB 3.28Å; W42-V46 VanDerWaalsContact O-CG2 3.26Å; W42-V46 WeakPolarHBondContact O-CG2 3.17Å; W42-V46 PolarHBondContact O-N 3Å; W42-I69 HydrophobicContact CB-CD1 3.52Å; W42-I69 HydrophobicContact CE3-CD1 4.29Å; W42-I69 HydrophobicContact CG-CD1 4.5Å; W42-M102 HydrophobicContact CE3-SD 4.37Å; W42-M102 HydrophobicContact CH2-CE 4.21Å; W42-M102 HydrophobicContact CZ3-CE 4.03Å; W42-M102 HydrophobicContact CZ3-SD 3.96Å |
| 43 | T | 98.6 | Very high | 98.5 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 178.4 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | V39 N40 V46 V47 I69 | V39-T43 HydrophobicContact CG1-CG2 4.25Å; V39-T43 WeakPolarHBondContact O-CG2 3.25Å; V39-T43 PolarHBondContact O-N 2.93Å; V39-T43 PolarHBondContact O-OG1 3.33Å; V39-T43 VanDerWaalsContact O-OG1 3.12Å; N40-T43 WeakPolarHBondContact CA-OG1 3.15Å; N40-T43 PolarHBondContact O-OG1 3.05Å; T43-V46 PolarHBondContact O-N 3.2Å; T43-V47 WeakPolarHBondContact O-CB 3.49Å; T43-V47 VanDerWaalsContact O-CG2 3.28Å; T43-V47 WeakPolarHBondContact O-CG2 3.39Å; T43-V47 PolarHBondContact O-N 3.34Å; T43-I69 HydrophobicContact CG2-CB 4.49Å; T43-I69 HydrophobicContact CG2-CD1 3.74Å; T43-I69 HydrophobicContact CG2-CG1 3.92Å |
| 44 | T | 98.7 | Very high | 98.5 | Very high | 64 Ų | 64 | 60 Ų | 60 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -51 | 176.2 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | N40 W42 V46 V47 E48 | N40-T44 WeakPolarHBondContact O-CB 3.46Å; N40-T44 PolarHBondContact O-N 2.99Å; N40-T44 PolarHBondContact O-OG1 3.44Å; W42-T44 VanDerWaalsContact C-N 3.34Å; W42-T44 PolarHBondContact O-N 2.84Å; T44-V46 VanDerWaalsContact C-N 3.35Å; T44-V46 PolarHBondContact O-N 3.09Å; T44-V47 PolarHBondContact O-N 3.46Å; T44-E48 HydrophobicContact CG2-CG 4.19Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.26Å; T44-E48 WeakPolarHBondContact O-CB 3.26Å; T44-E48 WeakPolarHBondContact O-CG 3.47Å; T44-E48 PolarHBondContact O-N 2.82Å |
| 45 | N | 98.7 | Very high | 98.5 | Very high | 48 Ų | 48 | 62 Ų | 62 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | -179.4 | -72.5 | -0.5 | 0 | 0 | 0 | 112.3 | A28 Q41 W42 Q49 | A28-N45 HydrophobicContact CB-CB 3.77Å; Q41-N45 WeakPolarHBondContact O-CB 3.49Å; Q41-N45 PolarHBondContact O-N 3.16Å; Q41-N45 PolarHBondContact O-OD1 3.34Å; W42-N45 PolarHBondContact O-N 2.83Å; N45-Q49 VanDerWaalsContact O-CB 3.23Å; N45-Q49 WeakPolarHBondContact O-CB 3.35Å; N45-Q49 WeakPolarHBondContact O-CG 3.42Å; N45-Q49 PolarHBondContact O-N 3.32Å |
| 46 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 177.8 | 170 | 0 | 0 | 0 | 0 | 111 | I25 A28 I29 W42 T43 T44 T50 C67 V106 | I25-V46 HydrophobicContact CG1-CG1 4.08Å; I25-V46 HydrophobicContact CG1-CG2 4.39Å; A28-V46 HydrophobicContact CB-CG2 3.55Å; I29-V46 HydrophobicContact CD1-CG2 4.45Å; W42-V46 WeakPolarHBondContact O-CB 3.28Å; W42-V46 VanDerWaalsContact O-CG2 3.26Å; W42-V46 WeakPolarHBondContact O-CG2 3.17Å; W42-V46 PolarHBondContact O-N 3Å; T43-V46 PolarHBondContact O-N 3.2Å; T44-V46 VanDerWaalsContact C-N 3.35Å; T44-V46 PolarHBondContact O-N 3.09Å; V46-T50 VanDerWaalsContact O-CB 3.26Å; V46-T50 WeakPolarHBondContact O-CB 3.18Å; V46-T50 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.39Å; V46-C67 HydrophobicContact CG1-CB 4.39Å; V46-V106 HydrophobicContact CG1-CG1 4.32Å; V46-V106 HydrophobicContact CG1-CG2 3.61Å |
| 47 | V | 98.8 | Very high | 98.3 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -48.3 | -178.8 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | T43 T44 T50 L51 V65 C67 | T43-V47 WeakPolarHBondContact O-CB 3.49Å; T43-V47 VanDerWaalsContact O-CG2 3.28Å; T43-V47 WeakPolarHBondContact O-CG2 3.39Å; T43-V47 PolarHBondContact O-N 3.34Å; T44-V47 PolarHBondContact O-N 3.46Å; V47-T50 PolarHBondContact O-N 2.93Å; V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 4.47Å; V47-L51 WeakPolarHBondContact O-CB 3.29Å; V47-L51 WeakPolarHBondContact O-CG 3.28Å; V47-L51 PolarHBondContact O-N 3.4Å; V47-V65 HydrophobicContact CG1-CB 4.4Å; V47-V65 HydrophobicContact CG2-CG1 4.22Å; V47-C67 HydrophobicContact CG2-CB 3.7Å |
| 48 | E | 98.6 | Very high | 98.2 | Very high | 120 Ų | 120 | 57.8 Ų | 57.8 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | -179.6 | -72.4 | -179.3 | 175.7 | 0 | 0 | 112.2 | T44 S52 | T44-E48 HydrophobicContact CG2-CG 4.19Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.26Å; T44-E48 WeakPolarHBondContact O-CB 3.26Å; T44-E48 WeakPolarHBondContact O-CG 3.47Å; T44-E48 PolarHBondContact O-N 2.82Å; E48-S52 VanDerWaalsContact O-CB 3.23Å; E48-S52 WeakPolarHBondContact O-CB 3.48Å; E48-S52 PolarHBondContact O-N 2.95Å |
| 49 | Q | 98.7 | Very high | 98.1 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 177.5 | -71.9 | 179.4 | 25 | 0 | 0 | 111.3 | A24 S27 N45 S52 Q53 | A24-Q49 HydrophobicContact CB-CB 3.87Å; S27-Q49 VanDerWaalsContact CB-OE1 3.25Å; S27-Q49 PolarHBondContact OG-NE2 3.37Å; S27-Q49 PolarHBondContact OG-OE1 3.04Å; N45-Q49 VanDerWaalsContact O-CB 3.23Å; N45-Q49 WeakPolarHBondContact O-CB 3.35Å; N45-Q49 WeakPolarHBondContact O-CG 3.42Å; N45-Q49 PolarHBondContact O-N 3.32Å; Q49-S52 PolarHBondContact O-N 3.24Å; Q49-Q53 WeakPolarHBondContact O-CG 3.4Å; Q49-Q53 PolarHBondContact O-N 2.98Å |
| 50 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -52.2 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | I20 V21 A24 V46 V47 S52 Q53 L54 V65 | I20-T50 HydrophobicContact CG2-CG2 4.28Å; V21-T50 HydrophobicContact CG2-CG2 3.68Å; A24-T50 WeakPolarHBondContact CB-OG1 3.49Å; V46-T50 VanDerWaalsContact O-CB 3.26Å; V46-T50 WeakPolarHBondContact O-CB 3.18Å; V46-T50 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.39Å; V47-T50 PolarHBondContact O-N 2.93Å; T50-S52 VanDerWaalsContact C-N 3.32Å; T50-S52 PolarHBondContact O-N 2.69Å; T50-Q53 PolarHBondContact O-N 2.9Å; T50-L54 HydrophobicContact CG2-CD1 3.76Å; T50-L54 HydrophobicContact CG2-CG 4.26Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 VanDerWaalsContact O-CG 3.27Å; T50-L54 WeakPolarHBondContact O-CG 3.42Å; T50-L54 PolarHBondContact O-N 3.25Å; T50-V65 HydrophobicContact CG2-CG1 4.03Å; T50-V65 HydrophobicContact CG2-CG2 3.79Å |
| 51 | L | 98.7 | Very high | 97.9 | Very high | 57 Ų | 57 | 52 Ų | 52 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 178.8 | -73.7 | 171.4 | 0 | 0 | 0 | 112.2 | V47 Q53 L54 T55 V65 | V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 4.47Å; V47-L51 WeakPolarHBondContact O-CB 3.29Å; V47-L51 WeakPolarHBondContact O-CG 3.28Å; V47-L51 PolarHBondContact O-N 3.4Å; L51-Q53 PolarHBondContact O-N 2.94Å; L51-L54 PolarHBondContact O-N 2.66Å; L51-T55 WeakPolarHBondContact O-CB 3.35Å; L51-T55 VanDerWaalsContact O-CG2 3.31Å; L51-T55 WeakPolarHBondContact O-CG2 3.34Å; L51-T55 PolarHBondContact O-N 3.07Å; L51-T55 PolarHBondContact O-OG1 2.97Å; L51-V65 HydrophobicContact CD2-CB 4.36Å; L51-V65 HydrophobicContact CD2-CG2 3.63Å; L51-V65 HydrophobicContact CG-CB 4.33Å; L51-V65 HydrophobicContact CG-CG2 3.9Å |
| 52 | S | 98.5 | Very high | 97.9 | Very high | 51 Ų | 51 | 54 Ų | 54 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 112 | E48 Q49 T50 T55 K56 | E48-S52 VanDerWaalsContact O-CB 3.23Å; E48-S52 WeakPolarHBondContact O-CB 3.48Å; E48-S52 PolarHBondContact O-N 2.95Å; Q49-S52 PolarHBondContact O-N 3.24Å; T50-S52 VanDerWaalsContact C-N 3.32Å; T50-S52 PolarHBondContact O-N 2.69Å; S52-T55 PolarHBondContact O-OG1 3.05Å; S52-K56 VanDerWaalsContact O-CG 3.27Å; S52-K56 WeakPolarHBondContact O-CG 3.45Å; S52-K56 PolarHBondContact O-N 2.88Å |
| 53 | Q | 98.6 | Very high | 97.9 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 38% | 0.379 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -75 | -40.3 | 177.9 | -64 | -58.5 | -20.7 | 0 | 0 | 112 | I20 Q49 T50 L51 T55 K56 L57 | I20-Q53 HydrophobicContact CB-CB 4.44Å; I20-Q53 HydrophobicContact CD1-CB 4.17Å; I20-Q53 HydrophobicContact CG1-CB 4.12Å; I20-Q53 HydrophobicContact CG2-CB 3.52Å; I20-Q53 HydrophobicContact CG2-CG 4.29Å; Q49-Q53 WeakPolarHBondContact O-CG 3.4Å; Q49-Q53 PolarHBondContact O-N 2.98Å; T50-Q53 PolarHBondContact O-N 2.9Å; L51-Q53 PolarHBondContact O-N 2.94Å; Q53-T55 VanDerWaalsContact C-N 3.31Å; Q53-T55 PolarHBondContact O-N 2.81Å; Q53-K56 WeakPolarHBondContact O-CB 3.48Å; Q53-K56 PolarHBondContact O-N 2.79Å; Q53-K56 VanDerWaalsContact O-N 3.15Å; Q53-L57 PolarHBondContact O-N 2.89Å |
| 54 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 176.4 | -72.9 | 175.8 | 0 | 0 | 0 | 112.7 | V17 I20 T50 L51 K56 L57 Y63 V65 A108 | V17-L54 HydrophobicContact CB-CD2 4.3Å; V17-L54 HydrophobicContact CG1-CD2 4.05Å; V17-L54 HydrophobicContact CG2-CD2 3.76Å; I20-L54 HydrophobicContact CD1-CD2 4.02Å; I20-L54 HydrophobicContact CG2-CG 4.44Å; T50-L54 HydrophobicContact CG2-CD1 3.76Å; T50-L54 HydrophobicContact CG2-CG 4.26Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 VanDerWaalsContact O-CG 3.27Å; T50-L54 WeakPolarHBondContact O-CG 3.42Å; T50-L54 PolarHBondContact O-N 3.25Å; L51-L54 PolarHBondContact O-N 2.66Å; L54-K56 VanDerWaalsContact C-N 3.34Å; L54-L57 HydrophobicContact CD2-CD1 4.15Å; L54-L57 WeakPolarHBondContact O-CB 3.49Å; L54-L57 PolarHBondContact O-N 3.08Å; L54-Y63 HydrophobicContact CB-CD1 4.15Å; L54-Y63 HydrophobicContact CB-CD2 3.9Å; L54-Y63 HydrophobicContact CB-CE1 4.07Å; L54-Y63 HydrophobicContact CB-CE2 3.81Å; L54-Y63 HydrophobicContact CB-CG 4.05Å; L54-Y63 HydrophobicContact CD1-CD1 3.84Å; L54-Y63 HydrophobicContact CD1-CE1 4.27Å; L54-Y63 HydrophobicContact CD1-CG 4.08Å; L54-Y63 HydrophobicContact CD2-CE1 4.14Å; L54-Y63 HydrophobicContact CG-CD1 4.41Å; L54-Y63 HydrophobicContact CG-CE1 4.4Å; L54-Y63 WeakPolarHBondContact O-CE2 3.49Å; L54-Y63 PolarHBondContact O-OH 2.88Å; L54-V65 HydrophobicContact CD1-CG2 4.1Å; L54-A108 HydrophobicContact CD1-CB 4.34Å |
| 55 | T | 97 | Very high | 97.8 | Very high | 88 Ų | 88 | 55.7 Ų | 55.7 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.5 | -30.6 | 176.8 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | L51 S52 Q53 L57 G58 Y63 | L51-T55 WeakPolarHBondContact O-CB 3.35Å; L51-T55 VanDerWaalsContact O-CG2 3.31Å; L51-T55 WeakPolarHBondContact O-CG2 3.34Å; L51-T55 PolarHBondContact O-N 3.07Å; L51-T55 PolarHBondContact O-OG1 2.97Å; S52-T55 PolarHBondContact O-OG1 3.05Å; Q53-T55 VanDerWaalsContact C-N 3.31Å; Q53-T55 PolarHBondContact O-N 2.81Å; T55-L57 PolarHBondContact O-N 2.83Å; T55-G58 PolarHBondContact O-N 3.2Å; T55-Y63 HydrophobicContact CG2-CD2 4.34Å |
| 56 | K | 97.7 | Very high | 97.8 | Very high | 132 Ų | 132 | 56.6 Ų | 56.6 | 57% | 0.574 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.4 | -19.6 | 174.8 | -72.9 | 169.4 | -166.9 | 171.1 | 0 | 113.8 | S52 Q53 L54 G58 | S52-K56 VanDerWaalsContact O-CG 3.27Å; S52-K56 WeakPolarHBondContact O-CG 3.45Å; S52-K56 PolarHBondContact O-N 2.88Å; Q53-K56 WeakPolarHBondContact O-CB 3.48Å; Q53-K56 PolarHBondContact O-N 2.79Å; Q53-K56 VanDerWaalsContact O-N 3.15Å; L54-K56 VanDerWaalsContact C-N 3.34Å; K56-G58 PolarHBondContact O-N 3.48Å |
| 57 | L | 96 | Very high | 97.8 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.7 | 173.4 | -58.1 | -178.3 | 0 | 0 | 0 | 112.3 | E16 I20 Q53 L54 T55 K59 | E16-L57 HydrophobicContact CG-CD1 4.19Å; E16-L57 HydrophobicContact CG-CD2 4.38Å; E16-L57 VanDerWaalsContact OE1-CD2 3.28Å; E16-L57 WeakPolarHBondContact OE1-CD2 3.17Å; I20-L57 HydrophobicContact CD1-CD1 3.89Å; I20-L57 HydrophobicContact CD1-CD2 4.19Å; I20-L57 HydrophobicContact CD1-CG 4.23Å; Q53-L57 PolarHBondContact O-N 2.89Å; L54-L57 HydrophobicContact CD2-CD1 4.15Å; L54-L57 WeakPolarHBondContact O-CB 3.49Å; L54-L57 PolarHBondContact O-N 3.08Å; T55-L57 PolarHBondContact O-N 2.83Å; L57-K59 HydrophobicContact CB-CD 4.41Å; L57-K59 HydrophobicContact CB-CG 3.96Å; L57-K59 PolarHBondContact O-N 2.94Å; L57-K59 VanDerWaalsContact O-N 3.1Å |
| 58 | G | 95.2 | Very high | 97.8 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 69% | 0.691 | 32% | 0.319 | S | S | * | . | trans | 67.3 | 10 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T55 K56 | T55-G58 PolarHBondContact O-N 3.2Å; K56-G58 PolarHBondContact O-N 3.48Å | ||
| 59 | K | 95.7 | Very high | 97.8 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | trans | -75.7 | 146.9 | -179.8 | -59.4 | -167.6 | 170.4 | 177 | 0 | 111.3 | E9 A11 E16 L57 F61 | E9-K59 WeakPolarHBondContact O-CE 3.44Å; E9-K59 WeakPolarHBondContact O-CG 3.27Å; A11-K59 WeakPolarHBondContact O-CD 3.45Å; A11-K59 PolarHBondContact O-NZ 3.37Å; E16-K59 IonicContact OE2-NZ 2.82Å; E16-K59 PolarHBondContact OE2-NZ 2.79Å; L57-K59 HydrophobicContact CB-CD 4.41Å; L57-K59 HydrophobicContact CB-CG 3.96Å; L57-K59 PolarHBondContact O-N 2.94Å; L57-K59 VanDerWaalsContact O-N 3.1Å; K59-F61 HydrophobicContact CB-CD2 3.57Å; K59-F61 HydrophobicContact CB-CE2 3.85Å; K59-F61 HydrophobicContact CD-CE2 4.17Å; K59-F61 PolarHBondContact O-N 2.73Å | ||
| 60 | P | 95.6 | Very high | 97.7 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -78.6 | 58.8 | -172.8 | 34.6 | -37.8 | 0 | 0 | 0 | 112.8 | T10 I113 | T10-P60 HydrophobicContact CG2-CG 4.27Å; P60-I113 WeakPolarHBondContact O-CG1 3.49Å; P60-I113 PolarHBondContact O-N 3Å |
| 61 | F | 97.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.1 | -176.9 | -68.7 | -60.1 | 0 | 0 | 0 | 113 | T10 F12 K59 Y63 T89 L111 | T10-F61 VanDerWaalsContact O-CE2 3.24Å; T10-F61 WeakPolarHBondContact O-CE2 3.42Å; T10-F61 WeakPolarHBondContact O-CZ 3.2Å; F12-F61 HydrophobicContact CB-CE1 4.42Å; F12-F61 HydrophobicContact CB-CE2 4.07Å; F12-F61 HydrophobicContact CB-CZ 3.79Å; K59-F61 HydrophobicContact CB-CD2 3.57Å; K59-F61 HydrophobicContact CB-CE2 3.85Å; K59-F61 HydrophobicContact CD-CE2 4.17Å; K59-F61 PolarHBondContact O-N 2.73Å; F61-Y63 HydrophobicContact CB-CD1 4.09Å; F61-Y63 HydrophobicContact CB-CD2 4.41Å; F61-Y63 HydrophobicContact CB-CE1 3.62Å; F61-Y63 HydrophobicContact CB-CE2 3.97Å; F61-Y63 HydrophobicContact CB-CG 4.48Å; F61-Y63 HydrophobicContact CD2-CE1 4.07Å; F61-Y63 HydrophobicContact CG-CE1 4.13Å; F61-T89 VanDerWaalsContact CE1-O 3.27Å; F61-T89 WeakPolarHBondContact CE1-O 3.42Å; F61-L111 CarbonylContact C-O 3.59Å; F61-L111 WeakPolarHBondContact CA-O 3.47Å |
| 62 | K | 97.9 | Very high | 97.6 | Very high | 135 Ų | 135 | 56.9 Ų | 56.9 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.7 | 153.1 | -72.6 | 168.5 | -172.9 | 164.6 | 0 | 108.2 | L111 I113 | K62-L111 PolarHBondContact N-O 2.82Å; K62-L111 PolarHBondContact O-N 3.35Å; K62-I113 HydrophobicContact CG-CD1 4.3Å; K62-I113 HydrophobicContact CG-CG1 3.95Å |
| 63 | Y | 98.4 | Very high | 97.5 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 14% | 0.137 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139.4 | 179.7 | -62.7 | -69.7 | 0 | 0 | 0 | 112.4 | L54 T55 F61 F109 | L54-Y63 HydrophobicContact CB-CD1 4.15Å; L54-Y63 HydrophobicContact CB-CD2 3.9Å; L54-Y63 HydrophobicContact CB-CE1 4.07Å; L54-Y63 HydrophobicContact CB-CE2 3.81Å; L54-Y63 HydrophobicContact CB-CG 4.05Å; L54-Y63 HydrophobicContact CD1-CD1 3.84Å; L54-Y63 HydrophobicContact CD1-CE1 4.27Å; L54-Y63 HydrophobicContact CD1-CG 4.08Å; L54-Y63 HydrophobicContact CD2-CE1 4.14Å; L54-Y63 HydrophobicContact CG-CD1 4.41Å; L54-Y63 HydrophobicContact CG-CE1 4.4Å; L54-Y63 WeakPolarHBondContact O-CE2 3.49Å; L54-Y63 PolarHBondContact O-OH 2.88Å; T55-Y63 HydrophobicContact CG2-CD2 4.34Å; F61-Y63 HydrophobicContact CB-CD1 4.09Å; F61-Y63 HydrophobicContact CB-CD2 4.41Å; F61-Y63 HydrophobicContact CB-CE1 3.62Å; F61-Y63 HydrophobicContact CB-CE2 3.97Å; F61-Y63 HydrophobicContact CB-CG 4.48Å; F61-Y63 HydrophobicContact CD2-CE1 4.07Å; F61-Y63 HydrophobicContact CG-CE1 4.13Å; Y63-F109 VanDerWaalsContact CA-O 3.3Å; Y63-F109 WeakPolarHBondContact CA-O 3.36Å |
| 64 | I | 98.4 | Very high | 97.3 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 45% | 0.451 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130 | 169.3 | -54.8 | 169.5 | 0 | 0 | 0 | 106.9 | A108 F109 L111 | I64-A108 CarbonylContact O-C 3.59Å; I64-A108 WeakPolarHBondContact O-CA 3.46Å; I64-F109 HydrophobicContact CB-CB 4.19Å; I64-F109 HydrophobicContact CB-CD2 4.2Å; I64-F109 HydrophobicContact CG2-CD2 4.31Å; I64-F109 PolarHBondContact N-O 3.19Å; I64-F109 PolarHBondContact O-N 3.1Å; I64-L111 HydrophobicContact CD1-CD1 3.87Å; I64-L111 HydrophobicContact CG1-CD1 4.36Å |
| 65 | V | 98.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 11% | 0.109 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.5 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | V47 T50 L51 L54 V106 S107 A108 | V47-V65 HydrophobicContact CG1-CB 4.4Å; V47-V65 HydrophobicContact CG2-CG1 4.22Å; T50-V65 HydrophobicContact CG2-CG1 4.03Å; T50-V65 HydrophobicContact CG2-CG2 3.79Å; L51-V65 HydrophobicContact CD2-CB 4.36Å; L51-V65 HydrophobicContact CD2-CG2 3.63Å; L51-V65 HydrophobicContact CG-CB 4.33Å; L51-V65 HydrophobicContact CG-CG2 3.9Å; L54-V65 HydrophobicContact CD1-CG2 4.1Å; V65-V106 HydrophobicContact CG1-CG1 3.82Å; V65-S107 CarbonylContact C-O 3.56Å; V65-S107 WeakPolarHBondContact CA-O 3.35Å; V65-A108 HydrophobicContact CG2-CB 4.18Å |
| 66 | T | 98.3 | Very high | 96.9 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.3 | 172.2 | 66.4 | 0 | 0 | 0 | 0 | 109.5 | V106 S107 | T66-V106 CarbonylContact O-C 3.56Å; T66-V106 WeakPolarHBondContact O-CA 3.23Å; T66-V106 WeakPolarHBondContact O-CG1 3.07Å; T66-S107 PolarHBondContact N-O 3.35Å; T66-S107 PolarHBondContact O-N 3.25Å |
| 67 | C | 98.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 128.5 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | V46 V47 I105 V106 | V46-C67 HydrophobicContact CG1-CB 4.39Å; V47-C67 HydrophobicContact CG2-CB 3.7Å; C67-I105 CarbonylContact C-O 3.59Å; C67-I105 WeakPolarHBondContact CA-O 3.31Å; C67-V106 HydrophobicContact CB-CG2 4.17Å |
| 68 | V | 98.2 | Very high | 96.7 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 35% | 0.352 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.6 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | L77 C104 I105 | V68-L77 HydrophobicContact CG1-CD2 4.12Å; V68-C104 CarbonylContact O-C 3.5Å; V68-C104 WeakPolarHBondContact O-CA 3.27Å; V68-I105 PolarHBondContact N-O 3.11Å; V68-I105 PolarHBondContact O-N 3.12Å |
| 69 | I | 98 | Very high | 96.6 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.5 | 172 | -59.8 | 173.9 | 0 | 0 | 0 | 108.5 | I29 Y34 V39 W42 T43 M102 Y103 C104 | I29-I69 HydrophobicContact CD1-CD1 3.61Å; I29-I69 HydrophobicContact CD1-CG1 4.18Å; I29-I69 HydrophobicContact CG1-CD1 4.39Å; Y34-I69 HydrophobicContact CD2-CG2 4.35Å; Y34-I69 HydrophobicContact CE2-CG2 4.33Å; V39-I69 HydrophobicContact CG1-CB 4.12Å; V39-I69 HydrophobicContact CG2-CG2 4.34Å; W42-I69 HydrophobicContact CB-CD1 3.52Å; W42-I69 HydrophobicContact CE3-CD1 4.29Å; W42-I69 HydrophobicContact CG-CD1 4.5Å; T43-I69 HydrophobicContact CG2-CB 4.49Å; T43-I69 HydrophobicContact CG2-CD1 3.74Å; T43-I69 HydrophobicContact CG2-CG1 3.92Å; I69-M102 HydrophobicContact CG2-CB 4.41Å; I69-M102 HydrophobicContact CG2-SD 3.75Å; I69-Y103 CarbonylContact C-O 3.53Å; I69-Y103 WeakPolarHBondContact CA-O 3.35Å; I69-C104 HydrophobicContact CG1-CB 4.38Å |
| 70 | M | 97.7 | Very high | 96.6 | Very high | 34 Ų | 34 | 67.1 Ų | 67.1 | 17% | 0.167 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134 | 179.8 | -171.5 | -177.2 | 74.4 | 0 | 0 | 111.4 | L77 M102 Y103 | M70-L77 HydrophobicContact CB-CD2 4.15Å; M70-L77 HydrophobicContact CE-CB 3.54Å; M70-L77 HydrophobicContact CE-CD2 4.36Å; M70-L77 HydrophobicContact SD-CB 3.72Å; M70-L77 HydrophobicContact SD-CD1 4.35Å; M70-L77 HydrophobicContact SD-CD2 4.24Å; M70-L77 HydrophobicContact SD-CG 4.34Å; M70-M102 CarbonylContact O-C 3.51Å; M70-M102 WeakPolarHBondContact O-CA 3.35Å; M70-M102 VanDerWaalsContact O-CB 3.23Å; M70-M102 WeakPolarHBondContact O-CB 3.4Å; M70-Y103 HydrophobicContact CE-CD2 3.64Å; M70-Y103 HydrophobicContact CE-CE2 4.01Å; M70-Y103 PolarHBondContact N-O 3.21Å; M70-Y103 PolarHBondContact O-N 2.82Å |
| 71 | Q | 98.2 | Very high | 96.5 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 139.7 | 172.4 | -169.1 | 177 | 14 | 0 | 0 | 111.7 | Y34 N73 | Y34-Q71 HydrophobicContact CD1-CB 3.79Å; Y34-Q71 HydrophobicContact CD1-CG 3.56Å; Y34-Q71 HydrophobicContact CD2-CB 4.01Å; Y34-Q71 HydrophobicContact CD2-CG 4.44Å; Y34-Q71 HydrophobicContact CE1-CB 3.67Å; Y34-Q71 HydrophobicContact CE1-CG 3.84Å; Y34-Q71 HydrophobicContact CE2-CB 3.9Å; Y34-Q71 HydrophobicContact CG-CB 3.95Å; Y34-Q71 HydrophobicContact CG-CG 3.88Å; Q71-N73 HydrophobicContact CG-CB 4.48Å; Q71-N73 PolarHBondContact O-N 3.21Å |
| 72 | K | 97.1 | Very high | 96.5 | Very high | 64 Ų | 64 | 73 Ų | 73 | 28% | 0.278 | 45% | 0.45 | S | S | . | . | trans | -80.4 | 96.5 | 167.6 | -73.2 | -179.1 | 175.6 | -170 | 0 | 110.2 | E98 N99 T101 M102 Y103 | K72-E98 WeakPolarHBondContact CE-OE2 3.28Å; K72-E98 IonicContact NZ-OE2 2.62Å; K72-E98 PolarHBondContact NZ-OE2 3.37Å; K72-N99 WeakPolarHBondContact CD-O 3.43Å; K72-N99 WeakPolarHBondContact CE-O 3.2Å; K72-N99 PolarHBondContact NZ-O 3.35Å; K72-T101 PolarHBondContact N-O 2.81Å; K72-M102 WeakPolarHBondContact CE-O 3.27Å; K72-Y103 HydrophobicContact CD-CE2 4.25Å; K72-Y103 VanDerWaalsContact CE-CZ 3.44Å; K72-Y103 HydrophobicContact CG-CD2 3.78Å; K72-Y103 HydrophobicContact CG-CE2 3.5Å; K72-Y103 HydrophobicContact CG-CG 4.47Å | ||
| 73 | N | 96.3 | Very high | 96.3 | Very high | 107 Ų | 107 | 69.1 Ų | 69.1 | 57% | 0.572 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -131.9 | 19.6 | 178.1 | 63.6 | 4.1 | 0 | 0 | 0 | 112.6 | Q71 A75 | Q71-N73 HydrophobicContact CG-CB 4.48Å; Q71-N73 PolarHBondContact O-N 3.21Å; N73-A75 VanDerWaalsContact C-N 3.35Å; N73-A75 WeakPolarHBondContact OD1-CB 3.43Å; N73-A75 PolarHBondContact OD1-N 2.93Å; N73-A75 VanDerWaalsContact OD1-N 3.15Å |
| 74 | G | 95 | Very high | 96.2 | Very high | 85 Ų | 85 | 77.8 Ų | 77.8 | 88% | 0.876 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 90.1 | -9.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 75 | A | 94.4 | Very high | 96.1 | Very high | 51 Ų | 51 | 77.3 Ų | 77.3 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | trans | -68.6 | 145 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N73 | N73-A75 VanDerWaalsContact C-N 3.35Å; N73-A75 WeakPolarHBondContact OD1-CB 3.43Å; N73-A75 PolarHBondContact OD1-N 2.93Å; N73-A75 VanDerWaalsContact OD1-N 3.15Å | ||
| 76 | G | 92.6 | Very high | 95.9 | Very high | 75 Ų | 75 | 80 Ų | 80 | 77% | 0.773 | 48% | 0.484 | S | S | * | . | trans | -86.3 | 154 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 77 | L | 93.6 | Very high | 95.6 | Very high | 71 Ų | 71 | 82 Ų | 82 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | trans | -129.8 | 129.6 | 172 | 179.1 | 59 | 0 | 0 | 0 | 109.2 | V68 M70 T79 I105 | V68-L77 HydrophobicContact CG1-CD2 4.12Å; M70-L77 HydrophobicContact CB-CD2 4.15Å; M70-L77 HydrophobicContact CE-CB 3.54Å; M70-L77 HydrophobicContact CE-CD2 4.36Å; M70-L77 HydrophobicContact SD-CB 3.72Å; M70-L77 HydrophobicContact SD-CD1 4.35Å; M70-L77 HydrophobicContact SD-CD2 4.24Å; M70-L77 HydrophobicContact SD-CG 4.34Å; L77-T79 HydrophobicContact CD1-CG2 4.23Å; L77-T79 HydrophobicContact CD2-CG2 4.46Å; L77-T79 HydrophobicContact CG-CG2 4.14Å; L77-I105 HydrophobicContact CD2-CD1 3.48Å; L77-I105 VanDerWaalsContact CD2-CD1 3.48Å; L77-I105 HydrophobicContact CD2-CG1 4.28Å; L77-I105 HydrophobicContact CG-CD1 4.1Å | ||
| 78 | H | 94.7 | Very high | 95.3 | Very high | 169 Ų | 169 | 85.7 Ų | 85.7 | 78% | 0.782 | 53% | 0.527 | S | S | * | . | trans | -120.9 | 122.7 | 172.4 | -172.7 | -89.4 | 0 | 0 | 0 | 109.1 | ||||
| 79 | T | 94.5 | Very high | 95.1 | Very high | 65 Ų | 65 | 85.5 Ų | 85.5 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | trans | -121.8 | 130.2 | 175.7 | 56.3 | 0 | 0 | 0 | 0 | 108.6 | L77 I105 | L77-T79 HydrophobicContact CD1-CG2 4.23Å; L77-T79 HydrophobicContact CD2-CG2 4.46Å; L77-T79 HydrophobicContact CG-CG2 4.14Å; T79-I105 HydrophobicContact CG2-CD1 3.83Å; T79-I105 HydrophobicContact CG2-CG2 4.43Å | ||
| 80 | A | 95.2 | Very high | 95 | Very high | 91 Ų | 91 | 85.9 Ų | 85.9 | 75% | 0.752 | 53% | 0.528 | S | S | * | . | trans | -135.4 | 146.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 81 | S | 94.1 | Very high | 95 | Very high | 70 Ų | 70 | 84.8 Ų | 84.8 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | trans | -120.5 | 146.8 | 170.7 | 51.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 82 | S | 95.9 | Very high | 95 | Very high | 125 Ų | 125 | 82.8 Ų | 82.8 | 87% | 0.874 | 52% | 0.521 | S | S | * | . | trans | -132.6 | 134.7 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 83 | C | 94 | Very high | 95 | Very high | 53 Ų | 53 | 80.1 Ų | 80.1 | 36% | 0.358 | 51% | 0.51 | S | S | . | . | trans | -131.8 | 140.6 | -173.8 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | W85 | C83-W85 HydrophobicContact CB-CD2 3.49Å; C83-W85 VanDerWaalsContact CB-CD2 3.49Å; C83-W85 VanDerWaalsContact CB-CE2 3.47Å; C83-W85 HydrophobicContact CB-CE3 3.69Å; C83-W85 HydrophobicContact CB-CG 4.11Å; C83-W85 HydrophobicContact CB-CH2 3.9Å; C83-W85 HydrophobicContact CB-CZ2 3.68Å; C83-W85 HydrophobicContact CB-CZ3 3.9Å; C83-W85 WeakPolarHBondContact SG-CH2 3.26Å | ||
| 84 | F | 96.4 | Very high | 95.1 | Very high | 217 Ų | 217 | 78.5 Ų | 78.5 | 95% | 0.952 | 50% | 0.504 | S | S | * | . | trans | -123.8 | 102.3 | 170 | 179.7 | -112.7 | 0 | 0 | 0 | 107.7 | ||||
| 85 | W | 96.2 | Very high | 95.2 | Very high | 78 Ų | 78 | 74.8 Ų | 74.8 | 30% | 0.295 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -162.8 | -179 | -165.4 | 65.4 | 20.4 | 0 | 0 | 0 | 111.4 | C83 S87 D90 F109 L111 | C83-W85 HydrophobicContact CB-CD2 3.49Å; C83-W85 VanDerWaalsContact CB-CD2 3.49Å; C83-W85 VanDerWaalsContact CB-CE2 3.47Å; C83-W85 HydrophobicContact CB-CE3 3.69Å; C83-W85 HydrophobicContact CB-CG 4.11Å; C83-W85 HydrophobicContact CB-CH2 3.9Å; C83-W85 HydrophobicContact CB-CZ2 3.68Å; C83-W85 HydrophobicContact CB-CZ3 3.9Å; C83-W85 WeakPolarHBondContact SG-CH2 3.26Å; W85-S87 PolarHBondContact O-N 2.97Å; W85-D90 HydrophobicContact CB-CB 4.13Å; W85-D90 VanDerWaalsContact CB-OD2 3.28Å; W85-D90 WeakPolarHBondContact CB-OD2 3.38Å; W85-D90 HydrophobicContact CD2-CB 3.72Å; W85-D90 HydrophobicContact CE3-CB 4.05Å; W85-D90 HydrophobicContact CG-CB 3.76Å; W85-F109 AromaticContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CE1 4.47Å; W85-F109 HydrophobicContact CZ3-CB 4.24Å; W85-F109 AromaticContact CZ3-CD1 3.77Å; W85-F109 HydrophobicContact CZ3-CD1 3.77Å; W85-F109 HydrophobicContact CZ3-CG 4.49Å; W85-L111 HydrophobicContact CE3-CD2 4.48Å; W85-L111 HydrophobicContact CE3-CG 4.24Å; W85-L111 HydrophobicContact CZ3-CD1 4.46Å; W85-L111 HydrophobicContact CZ3-CG 4.49Å |
| 86 | D | 95.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 80 Ų | 80 | 40% | 0.396 | 47% | 0.473 | S | S | . | . | trans | -85.1 | 108.2 | 177.1 | 178.3 | 1.8 | 0 | 0 | 0 | 111.2 | S88 T89 D90 | D86-S88 PolarHBondContact O-N 3.36Å; D86-S88 WeakPolarHBondContact OD1-CB 3.23Å; D86-S88 PolarHBondContact OD1-N 3.26Å; D86-S88 PolarHBondContact OD1-OG 3.47Å; D86-S88 PolarHBondContact OD2-OG 3.21Å; D86-S88 VanDerWaalsContact OD2-OG 3.08Å; D86-T89 WeakPolarHBondContact CB-OG1 3.17Å; D86-T89 VanDerWaalsContact CG-OG1 3.26Å; D86-T89 PolarHBondContact O-N 3.38Å; D86-T89 PolarHBondContact OD2-OG1 3.46Å; D86-D90 PolarHBondContact N-OD2 3.23Å; D86-D90 VanDerWaalsContact O-CB 3.28Å; D86-D90 WeakPolarHBondContact O-CB 3.3Å; D86-D90 PolarHBondContact O-N 2.98Å | ||
| 87 | S | 92.5 | Very high | 95.6 | Very high | 111 Ų | 111 | 78.4 Ų | 78.4 | 78% | 0.776 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.6 | -179.5 | 58.2 | 0 | 0 | 0 | 0 | 115 | W85 | W85-S87 PolarHBondContact O-N 2.97Š|
| 88 | S | 91.8 | Very high | 95.7 | Very high | 98 Ų | 98 | 79 Ų | 79 | 69% | 0.685 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -24.7 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | D86 | D86-S88 PolarHBondContact O-N 3.36Å; D86-S88 WeakPolarHBondContact OD1-CB 3.23Å; D86-S88 PolarHBondContact OD1-N 3.26Å; D86-S88 PolarHBondContact OD1-OG 3.47Å; D86-S88 PolarHBondContact OD2-OG 3.21Å; D86-S88 VanDerWaalsContact OD2-OG 3.08Å |
| 89 | T | 93.4 | Very high | 95.8 | Very high | 54 Ų | 54 | 72.5 Ų | 72.5 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -32.7 | -173.7 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | F61 D86 | F61-T89 VanDerWaalsContact CE1-O 3.27Å; F61-T89 WeakPolarHBondContact CE1-O 3.42Å; D86-T89 WeakPolarHBondContact CB-OG1 3.17Å; D86-T89 VanDerWaalsContact CG-OG1 3.26Å; D86-T89 PolarHBondContact O-N 3.38Å; D86-T89 PolarHBondContact OD2-OG1 3.46Å |
| 90 | D | 96.6 | Very high | 95.8 | Very high | 28 Ų | 28 | 79 Ų | 79 | 15% | 0.15 | 44% | 0.439 | C | S | . | . | trans | -92.1 | 150.4 | -177.7 | -54 | -46.9 | 0 | 0 | 0 | 112.2 | W85 D86 G110 L111 S112 | W85-D90 HydrophobicContact CB-CB 4.13Å; W85-D90 VanDerWaalsContact CB-OD2 3.28Å; W85-D90 WeakPolarHBondContact CB-OD2 3.38Å; W85-D90 HydrophobicContact CD2-CB 3.72Å; W85-D90 HydrophobicContact CE3-CB 4.05Å; W85-D90 HydrophobicContact CG-CB 3.76Å; D86-D90 PolarHBondContact N-OD2 3.23Å; D86-D90 VanDerWaalsContact O-CB 3.28Å; D86-D90 WeakPolarHBondContact O-CB 3.3Å; D86-D90 PolarHBondContact O-N 2.98Å; D90-G110 WeakPolarHBondContact CA-O 3.37Å; D90-L111 WeakPolarHBondContact OD1-CA 3.37Å; D90-S112 PolarHBondContact OD1-N 3.32Å | ||
| 91 | G | 96.8 | Very high | 96 | Very high | 11 Ų | 11 | 76.8 Ų | 76.8 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 161.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F109 G110 | G91-F109 CarbonylContact O-C 3.53Å; G91-F109 WeakPolarHBondContact O-CA 3.42Å; G91-G110 PolarHBondContact N-O 3.39Å; G91-G110 PolarHBondContact O-N 3.21Å |
| 92 | S | 97.8 | Very high | 96.1 | Very high | 42 Ų | 42 | 73.5 Ų | 73.5 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.2 | 169.8 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | A108 | S92-A108 CarbonylContact C-O 3.56Å; S92-A108 WeakPolarHBondContact CA-O 3.35Å; S92-A108 WeakPolarHBondContact CB-O 3.36Å |
| 93 | C | 97.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 70.5 Ų | 70.5 | 5% | 0.054 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 123.6 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | F12 V14 V17 S107 A108 | F12-C93 HydrophobicContact CE1-CB 4.22Å; F12-C93 HydrophobicContact CZ-CB 4.22Å; V14-C93 HydrophobicContact CG1-CB 4.22Å; V17-C93 HydrophobicContact CB-CB 4.22Å; V17-C93 HydrophobicContact CG1-CB 3.71Å; C93-S107 CarbonylContact O-C 3.56Å; C93-S107 WeakPolarHBondContact O-CA 3.24Å; C93-A108 PolarHBondContact N-O 3.15Å; C93-A108 PolarHBondContact O-N 3.16Å |
| 94 | T | 98.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.8 | 171.6 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | I105 V106 S107 | T94-I105 HydrophobicContact CG2-CG2 3.87Å; T94-V106 CarbonylContact C-O 3.51Å; T94-V106 WeakPolarHBondContact CA-O 3.27Å; T94-S107 WeakPolarHBondContact CG2-OG 3.42Å; T94-S107 PolarHBondContact OG1-OG 3.5Å |
| 95 | V | 98.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.6 | 173.7 | 176.9 | 0 | 0 | 0 | 0 | 109 | V21 K22 I25 I105 V106 | V21-V95 HydrophobicContact CB-CB 4.36Å; V21-V95 HydrophobicContact CB-CG2 3.85Å; V21-V95 HydrophobicContact CG1-CB 3.58Å; V21-V95 HydrophobicContact CG1-CG1 4.16Å; V21-V95 HydrophobicContact CG1-CG2 3.62Å; K22-V95 HydrophobicContact CG-CG1 3.83Å; I25-V95 HydrophobicContact CD1-CG1 4.01Å; V95-I105 WeakPolarHBondContact O-CA 3.45Å; V95-V106 PolarHBondContact N-O 3.46Å; V95-V106 PolarHBondContact O-N 3.18Å |
| 96 | R | 97 | Very high | 96.6 | Very high | 161 Ų | 161 | 54.8 Ų | 54.8 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.7 | 167.9 | 177.5 | 179.8 | 161.8 | 177.8 | -5.9 | 108.6 | E98 | R96-E98 IonicContact CZ-OE1 3.6Å; R96-E98 IonicContact NE-OE1 3.46Å; R96-E98 PolarHBondContact NE-OE1 3.01Å; R96-E98 IonicContact NH2-OE1 2.91Å; R96-E98 PolarHBondContact NH2-OE1 2.99Å |
| 97 | W | 97.4 | Very high | 96.7 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 149.6 | 173.1 | -178.7 | 102.9 | 0 | 0 | 0 | 109.6 | I25 E26 I29 G30 N99 M102 C104 | I25-W97 HydrophobicContact CD1-CB 3.95Å; I25-W97 HydrophobicContact CG2-CB 3.88Å; I25-W97 HydrophobicContact CG2-CD2 3.55Å; I25-W97 HydrophobicContact CG2-CE3 4.01Å; I25-W97 HydrophobicContact CG2-CG 3.5Å; I25-W97 VanDerWaalsContact CG2-CG 3.5Å; E26-W97 PolarHBondContact OE2-NE1 3.34Å; I29-W97 HydrophobicContact CB-CH2 4.44Å; I29-W97 HydrophobicContact CG2-CH2 3.69Å; I29-W97 HydrophobicContact CG2-CZ3 3.84Å; G30-W97 VanDerWaalsContact O-CH2 3.3Å; G30-W97 WeakPolarHBondContact O-CH2 3.35Å; G30-W97 WeakPolarHBondContact O-CZ2 3.32Å; W97-N99 HydrophobicContact CH2-CB 3.59Å; W97-N99 WeakPolarHBondContact CH2-ND2 3.28Å; W97-N99 HydrophobicContact CZ2-CB 4.23Å; W97-N99 HydrophobicContact CZ3-CB 3.96Å; W97-M102 HydrophobicContact CZ3-CG 4.49Å; W97-C104 HydrophobicContact CB-CB 4.37Å; W97-C104 HydrophobicContact CE3-CB 3.88Å; W97-C104 PolarHBondContact N-O 3.03Å; W97-C104 PolarHBondContact O-N 3.47Å; W97-C104 VanDerWaalsContact O-O 3.07Å |
| 98 | E | 96.4 | Very high | 97 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 150.7 | 176.2 | 62.7 | -176 | 106.4 | 0 | 0 | 111.9 | K72 R96 M102 Y103 | K72-E98 WeakPolarHBondContact CE-OE2 3.28Å; K72-E98 IonicContact NZ-OE2 2.62Å; K72-E98 PolarHBondContact NZ-OE2 3.37Å; R96-E98 IonicContact CZ-OE1 3.6Å; R96-E98 IonicContact NE-OE1 3.46Å; R96-E98 PolarHBondContact NE-OE1 3.01Å; R96-E98 IonicContact NH2-OE1 2.91Å; R96-E98 PolarHBondContact NH2-OE1 2.99Å; E98-M102 WeakPolarHBondContact CA-O 3.28Å; E98-Y103 HydrophobicContact CB-CD1 3.77Å; E98-Y103 HydrophobicContact CB-CE1 4.24Å; E98-Y103 VanDerWaalsContact OE2-CE1 3.27Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.43Å |
| 99 | N | 96.1 | Very high | 97.4 | Very high | 33 Ų | 33 | 43 Ų | 43 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | trans | -124.3 | -166.4 | 166.3 | 74.7 | 19.1 | 0 | 0 | 0 | 110.3 | N32 K72 W97 T101 M102 | N32-N99 PolarHBondContact O-ND2 2.83Å; K72-N99 WeakPolarHBondContact CD-O 3.43Å; K72-N99 WeakPolarHBondContact CE-O 3.2Å; K72-N99 PolarHBondContact NZ-O 3.35Å; W97-N99 HydrophobicContact CH2-CB 3.59Å; W97-N99 WeakPolarHBondContact CH2-ND2 3.28Å; W97-N99 HydrophobicContact CZ2-CB 4.23Å; W97-N99 HydrophobicContact CZ3-CB 3.96Å; N99-T101 PolarHBondContact O-N 2.88Å; N99-T101 VanDerWaalsContact O-N 3.12Å; N99-T101 PolarHBondContact OD1-N 2.99Å; N99-T101 PolarHBondContact OD1-OG1 3.46Å; N99-M102 PolarHBondContact N-O 3.37Å; N99-M102 VanDerWaalsContact N-O 3.08Å; N99-M102 WeakPolarHBondContact ND2-CE 3.38Å; N99-M102 WeakPolarHBondContact OD1-CG 3.36Å; N99-M102 PolarHBondContact OD1-N 3.41Å; N99-M102 VanDerWaalsContact OD1-N 3.13Å | ||
| 100 | K | 96.3 | Very high | 97.6 | Very high | 202 Ų | 202 | 40.4 Ų | 40.4 | 88% | 0.878 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -60.7 | -22.2 | -178.3 | -66.7 | -178 | 179.8 | 177.3 | 0 | 114.4 | ||
| 101 | T | 97.6 | Very high | 97.6 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 27% | 0.27 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -124.6 | -12.6 | -166.1 | 62.8 | 0 | 0 | 0 | 0 | 115.2 | A33 Y34 K72 N99 | A33-T101 WeakPolarHBondContact CA-OG1 3.27Å; A33-T101 HydrophobicContact CB-CG2 4.15Å; Y34-T101 PolarHBondContact N-OG1 3.24Å; K72-T101 PolarHBondContact N-O 2.81Å; N99-T101 PolarHBondContact O-N 2.88Å; N99-T101 VanDerWaalsContact O-N 3.12Å; N99-T101 PolarHBondContact OD1-N 2.99Å; N99-T101 PolarHBondContact OD1-OG1 3.46Å |
| 102 | M | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161 | -179.2 | 54.7 | -176.6 | 156.6 | 0 | 0 | 113.4 | I29 N32 Y34 W42 I69 M70 K72 W97 E98 N99 | I29-M102 HydrophobicContact CG2-CE 3.2Å; I29-M102 HydrophobicContact CG2-SD 4.21Å; N32-M102 WeakPolarHBondContact O-CE 3.37Å; Y34-M102 HydrophobicContact CD2-CB 3.93Å; Y34-M102 HydrophobicContact CD2-SD 4.06Å; Y34-M102 HydrophobicContact CG-CB 4.45Å; W42-M102 HydrophobicContact CE3-SD 4.37Å; W42-M102 HydrophobicContact CH2-CE 4.21Å; W42-M102 HydrophobicContact CZ3-CE 4.03Å; W42-M102 HydrophobicContact CZ3-SD 3.96Å; I69-M102 HydrophobicContact CG2-CB 4.41Å; I69-M102 HydrophobicContact CG2-SD 3.75Å; M70-M102 CarbonylContact O-C 3.51Å; M70-M102 WeakPolarHBondContact O-CA 3.35Å; M70-M102 VanDerWaalsContact O-CB 3.23Å; M70-M102 WeakPolarHBondContact O-CB 3.4Å; K72-M102 WeakPolarHBondContact CE-O 3.27Å; W97-M102 HydrophobicContact CZ3-CG 4.49Å; E98-M102 WeakPolarHBondContact CA-O 3.28Å; N99-M102 PolarHBondContact N-O 3.37Å; N99-M102 VanDerWaalsContact N-O 3.08Å; N99-M102 WeakPolarHBondContact ND2-CE 3.38Å; N99-M102 WeakPolarHBondContact OD1-CG 3.36Å; N99-M102 PolarHBondContact OD1-N 3.41Å; N99-M102 VanDerWaalsContact OD1-N 3.13Å |
| 103 | Y | 97.1 | Very high | 97.3 | Very high | 62 Ų | 62 | 48.5 Ų | 48.5 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 144.5 | 163.7 | -59.4 | -76.3 | 0 | 0 | 0 | 109.4 | I69 M70 K72 E98 | I69-Y103 CarbonylContact C-O 3.53Å; I69-Y103 WeakPolarHBondContact CA-O 3.35Å; M70-Y103 HydrophobicContact CE-CD2 3.64Å; M70-Y103 HydrophobicContact CE-CE2 4.01Å; M70-Y103 PolarHBondContact N-O 3.21Å; M70-Y103 PolarHBondContact O-N 2.82Å; K72-Y103 HydrophobicContact CD-CE2 4.25Å; K72-Y103 VanDerWaalsContact CE-CZ 3.44Å; K72-Y103 HydrophobicContact CG-CD2 3.78Å; K72-Y103 HydrophobicContact CG-CE2 3.5Å; K72-Y103 HydrophobicContact CG-CG 4.47Å; E98-Y103 HydrophobicContact CB-CD1 3.77Å; E98-Y103 HydrophobicContact CB-CE1 4.24Å; E98-Y103 VanDerWaalsContact OE2-CE1 3.27Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.43Å |
| 104 | C | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.8 | 168.4 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | I25 I29 V68 I69 W97 | I25-C104 HydrophobicContact CG2-CB 4.5Å; I29-C104 HydrophobicContact CD1-CB 4.04Å; V68-C104 CarbonylContact O-C 3.5Å; V68-C104 WeakPolarHBondContact O-CA 3.27Å; I69-C104 HydrophobicContact CG1-CB 4.38Å; W97-C104 HydrophobicContact CB-CB 4.37Å; W97-C104 HydrophobicContact CE3-CB 3.88Å; W97-C104 PolarHBondContact N-O 3.03Å; W97-C104 PolarHBondContact O-N 3.47Å; W97-C104 VanDerWaalsContact O-O 3.07Å |
| 105 | I | 98.2 | Very high | 97.3 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 9% | 0.092 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.3 | 177.6 | -55.7 | -179.8 | 0 | 0 | 0 | 107.6 | C67 V68 L77 T79 T94 V95 | C67-I105 CarbonylContact C-O 3.59Å; C67-I105 WeakPolarHBondContact CA-O 3.31Å; V68-I105 PolarHBondContact N-O 3.11Å; V68-I105 PolarHBondContact O-N 3.12Å; L77-I105 HydrophobicContact CD2-CD1 3.48Å; L77-I105 VanDerWaalsContact CD2-CD1 3.48Å; L77-I105 HydrophobicContact CD2-CG1 4.28Å; L77-I105 HydrophobicContact CG-CD1 4.1Å; T79-I105 HydrophobicContact CG2-CD1 3.83Å; T79-I105 HydrophobicContact CG2-CG2 4.43Å; T94-I105 HydrophobicContact CG2-CG2 3.87Å; V95-I105 WeakPolarHBondContact O-CA 3.45Å |
| 106 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.8 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | V21 I25 V46 V65 T66 C67 T94 V95 | V21-V106 HydrophobicContact CG1-CB 3.56Å; V21-V106 HydrophobicContact CG1-CG1 3.59Å; V21-V106 HydrophobicContact CG1-CG2 4.2Å; V21-V106 HydrophobicContact CG2-CG1 4.32Å; I25-V106 HydrophobicContact CD1-CB 4.33Å; I25-V106 HydrophobicContact CD1-CG2 3.69Å; I25-V106 HydrophobicContact CG1-CG2 3.89Å; V46-V106 HydrophobicContact CG1-CG1 4.32Å; V46-V106 HydrophobicContact CG1-CG2 3.61Å; V65-V106 HydrophobicContact CG1-CG1 3.82Å; T66-V106 CarbonylContact O-C 3.56Å; T66-V106 WeakPolarHBondContact O-CA 3.23Å; T66-V106 WeakPolarHBondContact O-CG1 3.07Å; C67-V106 HydrophobicContact CB-CG2 4.17Å; T94-V106 CarbonylContact C-O 3.51Å; T94-V106 WeakPolarHBondContact CA-O 3.27Å; V95-V106 PolarHBondContact N-O 3.46Å; V95-V106 PolarHBondContact O-N 3.18Å |
| 107 | S | 98.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.3 | 173.2 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | V65 T66 C93 T94 | V65-S107 CarbonylContact C-O 3.56Å; V65-S107 WeakPolarHBondContact CA-O 3.35Å; T66-S107 PolarHBondContact N-O 3.35Å; T66-S107 PolarHBondContact O-N 3.25Å; C93-S107 CarbonylContact O-C 3.56Å; C93-S107 WeakPolarHBondContact O-CA 3.24Å; T94-S107 WeakPolarHBondContact CG2-OG 3.42Å; T94-S107 PolarHBondContact OG1-OG 3.5Å |
| 108 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 139.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | V17 V21 L54 I64 V65 S92 C93 | V17-A108 HydrophobicContact CG1-CB 3.78Å; V21-A108 HydrophobicContact CG2-CB 4.39Å; L54-A108 HydrophobicContact CD1-CB 4.34Å; I64-A108 CarbonylContact O-C 3.59Å; I64-A108 WeakPolarHBondContact O-CA 3.46Å; V65-A108 HydrophobicContact CG2-CB 4.18Å; S92-A108 CarbonylContact C-O 3.56Å; S92-A108 WeakPolarHBondContact CA-O 3.35Å; S92-A108 WeakPolarHBondContact CB-O 3.36Å; C93-A108 PolarHBondContact N-O 3.15Å; C93-A108 PolarHBondContact O-N 3.16Å |
| 109 | F | 98.5 | Very high | 97.3 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 10% | 0.101 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.5 | 176.3 | -52.4 | -100.9 | 0 | 0 | 0 | 107.7 | Y63 I64 W85 G91 L111 | Y63-F109 VanDerWaalsContact CA-O 3.3Å; Y63-F109 WeakPolarHBondContact CA-O 3.36Å; I64-F109 HydrophobicContact CB-CB 4.19Å; I64-F109 HydrophobicContact CB-CD2 4.2Å; I64-F109 HydrophobicContact CG2-CD2 4.31Å; I64-F109 PolarHBondContact N-O 3.19Å; I64-F109 PolarHBondContact O-N 3.1Å; W85-F109 AromaticContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CD1 3.69Å; W85-F109 HydrophobicContact CH2-CE1 4.47Å; W85-F109 HydrophobicContact CZ3-CB 4.24Å; W85-F109 AromaticContact CZ3-CD1 3.77Å; W85-F109 HydrophobicContact CZ3-CD1 3.77Å; W85-F109 HydrophobicContact CZ3-CG 4.49Å; G91-F109 CarbonylContact O-C 3.53Å; G91-F109 WeakPolarHBondContact O-CA 3.42Å; F109-L111 HydrophobicContact CB-CD1 4.09Å |
| 110 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | D90 G91 | D90-G110 WeakPolarHBondContact CA-O 3.37Å; G91-G110 PolarHBondContact N-O 3.39Å; G91-G110 PolarHBondContact O-N 3.21Å |
| 111 | L | 97.8 | Very high | 97.5 | Very high | 53 Ų | 53 | 31.6 Ų | 31.6 | 28% | 0.277 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.4 | 176.8 | -66.8 | 85 | 0 | 0 | 0 | 109.1 | F61 K62 I64 W85 D90 F109 | F61-L111 CarbonylContact C-O 3.59Å; F61-L111 WeakPolarHBondContact CA-O 3.47Å; K62-L111 PolarHBondContact N-O 2.82Å; K62-L111 PolarHBondContact O-N 3.35Å; I64-L111 HydrophobicContact CD1-CD1 3.87Å; I64-L111 HydrophobicContact CG1-CD1 4.36Å; W85-L111 HydrophobicContact CE3-CD2 4.48Å; W85-L111 HydrophobicContact CE3-CG 4.24Å; W85-L111 HydrophobicContact CZ3-CD1 4.46Å; W85-L111 HydrophobicContact CZ3-CG 4.49Å; D90-L111 WeakPolarHBondContact OD1-CA 3.37Å; F109-L111 HydrophobicContact CB-CD1 4.09Å |
| 112 | S | 95.6 | Very high | 97.5 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 142.3 | -178.4 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | D90 | D90-S112 PolarHBondContact OD1-N 3.32Å |
| 113 | I | 92.5 | Very high | 97.4 | Very high | 151 Ų | 151 | 33.4 Ų | 33.4 | 77% | 0.774 | 17% | 0.173 | S | C | * | . | trans | -84.1 | 0 | 178.8 | -66.5 | 172.7 | 0 | 0 | 0 | 111.1 | P60 K62 | P60-I113 WeakPolarHBondContact O-CG1 3.49Å; P60-I113 PolarHBondContact O-N 3Å; K62-I113 HydrophobicContact CG-CD1 4.3Å; K62-I113 HydrophobicContact CG-CG1 3.95Å |
Retrieved 113 of 113 residues in 271.8 ms
(Link to these results)