| 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 | 38.2 | Very low | 78.2 | Confident | 233 Ų | 233 | 80.4 Ų | 80.4 | 100% | 1.148 | 48% | 0.482 | S | S | * | . | 0 | 114.5 | 0 | -71.9 | -161.8 | 171.4 | 0 | 0 | 105.2 | G3 | M1-G3 PolarHBondContact O-N 3.15Š| |||
| 2 | D | 48.6 | Very low | 79.6 | Confident | 165 Ų | 165 | 80.6 Ų | 80.6 | 88% | 0.882 | 48% | 0.479 | S | S | * | . | trans | -60.1 | 108.4 | -179.8 | -64.3 | -21.6 | 0 | 0 | 0 | 107.5 | T4 | D2-T4 PolarHBondContact O-N 2.85Š| ||
| 3 | G | 58.8 | Low | 80.8 | Confident | 81 Ų | 81 | 81.5 Ų | 81.5 | 84% | 0.835 | 48% | 0.475 | S | S | * | . | trans | -75.9 | 48.7 | -157.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1 D5 | M1-G3 PolarHBondContact O-N 3.15Å; G3-D5 PolarHBondContact O-N 2.61Å | ||
| 4 | T | 75.2 | Confident | 81.9 | Confident | 102 Ų | 102 | 75.7 Ų | 75.7 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | trans | -75.3 | 107.1 | 174.8 | -53.7 | 0 | 0 | 0 | 0 | 108.6 | D2 P6 | D2-T4 PolarHBondContact O-N 2.85Å; T4-P6 WeakPolarHBondContact O-CD 3.23Å | ||
| 5 | D | 86.1 | Confident | 82.9 | Confident | 40 Ų | 40 | 75.3 Ų | 75.3 | 21% | 0.214 | 43% | 0.432 | C | S | . | . | trans | -59.3 | 118.9 | 178.2 | -172.8 | -22.3 | 0 | 0 | 0 | 111.2 | G3 Y7 F8 R81 | G3-D5 PolarHBondContact O-N 2.61Å; D5-Y7 PolarHBondContact O-N 3.21Å; D5-Y7 VanDerWaalsContact O-N 3.13Å; D5-Y7 WeakPolarHBondContact OD1-CB 3.37Å; D5-Y7 PolarHBondContact OD1-N 3.14Å; D5-F8 HydrophobicContact CB-CD2 3.79Å; D5-F8 HydrophobicContact CB-CE2 3.86Å; D5-F8 PolarHBondContact O-N 3.26Å; D5-R81 IonicContact OD1-NH1 3.15Å; D5-R81 IonicContact OD2-CZ 3.74Å; D5-R81 IonicContact OD2-NH1 3.63Å; D5-R81 PolarHBondContact OD2-NH1 3.45Å; D5-R81 IonicContact OD2-NH2 3.08Å; D5-R81 PolarHBondContact OD2-NH2 3.27Å | ||
| 6 | P | 89.3 | Confident | 83.7 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 66% | 0.656 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -57.4 | -24.8 | 178.9 | -25 | 34.6 | 0 | 0 | 0 | 114 | T4 F8 C9 M10 | T4-P6 WeakPolarHBondContact O-CD 3.23Å; P6-F8 PolarHBondContact O-N 2.73Å; P6-C9 WeakPolarHBondContact O-CB 3.44Å; P6-C9 PolarHBondContact O-N 2.91Å; P6-C9 VanDerWaalsContact O-N 3.08Å; P6-M10 PolarHBondContact O-N 3.32Å |
| 7 | Y | 91.7 | Very high | 84.4 | Confident | 10 Ų | 10 | 76.9 Ų | 76.9 | 4% | 0.039 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -52.3 | -41 | 176.4 | 168.6 | -93.3 | 0 | 0 | 0 | 112 | D5 C9 M10 Q11 L57 I61 R81 F84 A120 | D5-Y7 PolarHBondContact O-N 3.21Å; D5-Y7 VanDerWaalsContact O-N 3.13Å; D5-Y7 WeakPolarHBondContact OD1-CB 3.37Å; D5-Y7 PolarHBondContact OD1-N 3.14Å; Y7-C9 VanDerWaalsContact C-N 3.3Å; Y7-C9 PolarHBondContact O-N 3.08Å; Y7-M10 PolarHBondContact O-N 3.45Å; Y7-Q11 HydrophobicContact CE1-CB 4.01Å; Y7-Q11 HydrophobicContact CE1-CG 4.31Å; Y7-Q11 VanDerWaalsContact CZ-OE1 3.29Å; Y7-Q11 WeakPolarHBondContact O-CB 3.43Å; Y7-Q11 PolarHBondContact O-N 3.05Å; Y7-Q11 PolarHBondContact OH-OE1 3.32Å; Y7-L57 HydrophobicContact CD2-CD2 3.79Å; Y7-L57 HydrophobicContact CE2-CD2 3.97Å; Y7-I61 HydrophobicContact CE2-CD1 4.34Å; Y7-R81 HydrophobicContact CD1-CG 4.16Å; Y7-R81 HydrophobicContact CD2-CG 4.11Å; Y7-R81 HydrophobicContact CE1-CG 3.72Å; Y7-R81 HydrophobicContact CE2-CB 3.85Å; Y7-R81 HydrophobicContact CE2-CG 3.63Å; Y7-R81 HydrophobicContact CG-CG 4.36Å; Y7-R81 VanDerWaalsContact CZ-CG 3.45Å; Y7-F84 WeakPolarHBondContact OH-CD1 3.42Å; Y7-A120 HydrophobicContact CE1-CB 4.02Å |
| 8 | F | 92.7 | Very high | 85.1 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.039 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.3 | -31.5 | -177.5 | -65.3 | -67.8 | 0 | 0 | 0 | 112.6 | D5 P6 Q11 D12 R122 | D5-F8 HydrophobicContact CB-CD2 3.79Å; D5-F8 HydrophobicContact CB-CE2 3.86Å; D5-F8 PolarHBondContact O-N 3.26Å; P6-F8 PolarHBondContact O-N 2.73Å; F8-Q11 PolarHBondContact O-N 3.09Å; F8-D12 WeakPolarHBondContact O-CB 3.49Å; F8-D12 PolarHBondContact O-N 3.21Å; F8-R122 HydrophobicContact CD2-CG 4.47Å; F8-R122 HydrophobicContact CE1-CB 4.24Å; F8-R122 HydrophobicContact CE2-CG 4.19Å; F8-R122 HydrophobicContact CZ-CB 4.28Å; F8-R122 HydrophobicContact CZ-CG 4.23Å |
| 9 | C | 91.9 | Very high | 85.7 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 58% | 0.581 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | P6 Y7 D12 E13 | P6-C9 WeakPolarHBondContact O-CB 3.44Å; P6-C9 PolarHBondContact O-N 2.91Å; P6-C9 VanDerWaalsContact O-N 3.08Å; Y7-C9 VanDerWaalsContact C-N 3.3Å; Y7-C9 PolarHBondContact O-N 3.08Å; C9-D12 PolarHBondContact O-N 3.39Å; C9-E13 WeakPolarHBondContact O-CB 3.15Å; C9-E13 PolarHBondContact O-N 3.28Å |
| 10 | M | 93.1 | Very high | 86.2 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 176.7 | -66.1 | -63.9 | -71.7 | 0 | 0 | 111.7 | P6 Y7 E13 V14 D53 L57 | P6-M10 PolarHBondContact O-N 3.32Å; Y7-M10 PolarHBondContact O-N 3.45Å; M10-E13 PolarHBondContact O-N 3.08Å; M10-V14 WeakPolarHBondContact O-CB 3.39Å; M10-V14 VanDerWaalsContact O-CG2 3.31Å; M10-V14 WeakPolarHBondContact O-CG2 3.42Å; M10-V14 PolarHBondContact O-N 2.93Å; M10-D53 HydrophobicContact CE-CB 4.37Å; M10-L57 HydrophobicContact CB-CD1 4.42Å; M10-L57 HydrophobicContact CB-CD2 3.77Å; M10-L57 HydrophobicContact CB-CG 4.26Å; M10-L57 HydrophobicContact CG-CD2 4.45Å |
| 11 | Q | 94.3 | Very high | 86.6 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.5 | -178.8 | -179.3 | -101.5 | 0 | 0 | 111.6 | Y7 F8 E13 V14 F15 F84 V119 A120 | Y7-Q11 HydrophobicContact CE1-CB 4.01Å; Y7-Q11 HydrophobicContact CE1-CG 4.31Å; Y7-Q11 VanDerWaalsContact CZ-OE1 3.29Å; Y7-Q11 WeakPolarHBondContact O-CB 3.43Å; Y7-Q11 PolarHBondContact O-N 3.05Å; Y7-Q11 PolarHBondContact OH-OE1 3.32Å; F8-Q11 PolarHBondContact O-N 3.09Å; Q11-E13 VanDerWaalsContact C-N 3.33Å; Q11-V14 PolarHBondContact O-N 3.29Å; Q11-F15 VanDerWaalsContact O-CB 3.24Å; Q11-F15 WeakPolarHBondContact O-CB 3.49Å; Q11-F15 PolarHBondContact O-N 3.41Å; Q11-F84 HydrophobicContact CB-CE1 4.35Å; Q11-F84 HydrophobicContact CB-CZ 4.4Å; Q11-F84 HydrophobicContact CG-CD1 4.25Å; Q11-F84 HydrophobicContact CG-CD2 4.21Å; Q11-F84 HydrophobicContact CG-CE1 3.91Å; Q11-F84 HydrophobicContact CG-CE2 3.85Å; Q11-F84 HydrophobicContact CG-CG 4.39Å; Q11-F84 HydrophobicContact CG-CZ 3.68Å; Q11-V119 VanDerWaalsContact CD-CG1 3.4Å; Q11-V119 HydrophobicContact CG-CG1 4Å; Q11-A120 PolarHBondContact NE2-O 3.34Å |
| 12 | D | 95 | Very high | 89.3 | Confident | 83 Ų | 83 | 61.5 Ų | 61.5 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 179.8 | -68 | -18.1 | 0 | 0 | 0 | 110.9 | F8 C9 K16 | F8-D12 WeakPolarHBondContact O-CB 3.49Å; F8-D12 PolarHBondContact O-N 3.21Å; C9-D12 PolarHBondContact O-N 3.39Å; D12-K16 VanDerWaalsContact O-CB 3.23Å; D12-K16 WeakPolarHBondContact O-CB 3.49Å; D12-K16 PolarHBondContact O-N 3.43Å |
| 13 | E | 94.8 | Very high | 91.4 | Very high | 93 Ų | 93 | 58.1 Ų | 58.1 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -50.3 | 175.1 | -179.4 | 162.9 | -163.4 | 0 | 0 | 112.3 | C9 M10 Q11 F15 K16 N17 | C9-E13 WeakPolarHBondContact O-CB 3.15Å; C9-E13 PolarHBondContact O-N 3.28Å; M10-E13 PolarHBondContact O-N 3.08Å; Q11-E13 VanDerWaalsContact C-N 3.33Å; E13-F15 VanDerWaalsContact C-N 3.34Å; E13-F15 PolarHBondContact O-N 3.18Å; E13-K16 PolarHBondContact O-N 2.93Å; E13-N17 WeakPolarHBondContact O-CB 3.49Å; E13-N17 PolarHBondContact O-N 3.02Å; E13-N17 PolarHBondContact O-ND2 2.96Å |
| 14 | V | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 176 | 166.4 | 0 | 0 | 0 | 0 | 110.6 | M10 Q11 K16 N17 L18 I50 D53 L54 L57 F84 A88 | M10-V14 WeakPolarHBondContact O-CB 3.39Å; M10-V14 VanDerWaalsContact O-CG2 3.31Å; M10-V14 WeakPolarHBondContact O-CG2 3.42Å; M10-V14 PolarHBondContact O-N 2.93Å; Q11-V14 PolarHBondContact O-N 3.29Å; V14-K16 PolarHBondContact O-N 3.2Å; V14-N17 PolarHBondContact O-N 2.94Å; V14-L18 HydrophobicContact CG1-CD1 3.7Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CD1 3.33Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 2.98Å; V14-I50 HydrophobicContact CG1-CG2 4.16Å; V14-D53 HydrophobicContact CG2-CB 3.42Å; V14-D53 VanDerWaalsContact CG2-CB 3.42Å; V14-L54 HydrophobicContact CG1-CD2 3.94Å; V14-L57 HydrophobicContact CG2-CD1 3.94Å; V14-F84 HydrophobicContact CB-CE1 4.34Å; V14-F84 HydrophobicContact CB-CZ 4.01Å; V14-F84 HydrophobicContact CG1-CE1 3.97Å; V14-F84 HydrophobicContact CG1-CZ 3.59Å; V14-A88 HydrophobicContact CG1-CB 4.43Å |
| 15 | F | 96.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 179 | -178.3 | -96.1 | 0 | 0 | 0 | 111.7 | Q11 E13 N17 L18 Q19 V119 | Q11-F15 VanDerWaalsContact O-CB 3.24Å; Q11-F15 WeakPolarHBondContact O-CB 3.49Å; Q11-F15 PolarHBondContact O-N 3.41Å; E13-F15 VanDerWaalsContact C-N 3.34Å; E13-F15 PolarHBondContact O-N 3.18Å; F15-N17 PolarHBondContact O-N 3.39Å; F15-L18 WeakPolarHBondContact O-CB 3.27Å; F15-L18 PolarHBondContact O-N 3.29Å; F15-Q19 HydrophobicContact CD1-CG 4.27Å; F15-Q19 HydrophobicContact CE1-CG 3.87Å; F15-Q19 HydrophobicContact CZ-CG 4.16Å; F15-Q19 WeakPolarHBondContact O-CG 3.14Å; F15-Q19 PolarHBondContact O-N 3.42Å; F15-V119 HydrophobicContact CD2-CG2 3.54Å; F15-V119 HydrophobicContact CE2-CG2 3.81Å; F15-V119 HydrophobicContact CG-CG2 4.1Å |
| 16 | K | 96.2 | Very high | 93.7 | Very high | 150 Ų | 150 | 52.2 Ų | 52.2 | 65% | 0.652 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 176.2 | 178.6 | -176.6 | 174 | -175 | 0 | 111.5 | D12 E13 V14 L18 Q19 L20 | D12-K16 VanDerWaalsContact O-CB 3.23Å; D12-K16 WeakPolarHBondContact O-CB 3.49Å; D12-K16 PolarHBondContact O-N 3.43Å; E13-K16 PolarHBondContact O-N 2.93Å; V14-K16 PolarHBondContact O-N 3.2Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 2.81Å; K16-Q19 PolarHBondContact O-N 3Å; K16-L20 PolarHBondContact O-N 3.02Å |
| 17 | N | 96.6 | Very high | 93.6 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 178.8 | -72.4 | -20.7 | 0 | 0 | 0 | 111.3 | E13 V14 F15 L20 V21 T46 I50 | E13-N17 WeakPolarHBondContact O-CB 3.49Å; E13-N17 PolarHBondContact O-N 3.02Å; E13-N17 PolarHBondContact O-ND2 2.96Å; V14-N17 PolarHBondContact O-N 2.94Å; F15-N17 PolarHBondContact O-N 3.39Å; N17-L20 WeakPolarHBondContact O-CB 3.45Å; N17-L20 PolarHBondContact O-N 2.96Å; N17-V21 WeakPolarHBondContact O-CG2 3.41Å; N17-V21 PolarHBondContact O-N 3.25Å; N17-T46 HydrophobicContact CB-CG2 4.26Å; N17-I50 HydrophobicContact CB-CD1 3.79Å; N17-I50 HydrophobicContact CB-CG1 3.54Å |
| 18 | L | 97 | Very high | 93.3 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 172.6 | -74.6 | 156.9 | 0 | 0 | 0 | 112.6 | V14 F15 K16 L20 V21 K22 I50 A88 V91 V92 I117 | V14-L18 HydrophobicContact CG1-CD1 3.7Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CD1 3.33Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 2.98Å; F15-L18 WeakPolarHBondContact O-CB 3.27Å; F15-L18 PolarHBondContact O-N 3.29Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 2.81Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.43Å; L18-V21 PolarHBondContact O-N 2.93Å; L18-K22 PolarHBondContact O-N 3.49Å; L18-I50 HydrophobicContact CD2-CD1 4.06Å; L18-I50 HydrophobicContact CD2-CG2 4.4Å; L18-I50 HydrophobicContact CG-CD1 4Å; L18-I50 HydrophobicContact CG-CG2 4.38Å; L18-A88 HydrophobicContact CD1-CB 4.07Å; L18-V91 HydrophobicContact CD2-CB 4.33Å; L18-V91 HydrophobicContact CD2-CG1 3.81Å; L18-V92 HydrophobicContact CD2-CG2 4.08Å; L18-I117 HydrophobicContact CB-CD1 4.48Å; L18-I117 HydrophobicContact CD1-CD1 3.35Å; L18-I117 HydrophobicContact CD2-CD1 4.2Å; L18-I117 HydrophobicContact CG-CD1 4.22Å |
| 19 | Q | 96.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.6 | -35 | 173.1 | -63.1 | -49.7 | -44.8 | 0 | 0 | 112.1 | F15 K16 K22 T23 | F15-Q19 HydrophobicContact CD1-CG 4.27Å; F15-Q19 HydrophobicContact CE1-CG 3.87Å; F15-Q19 HydrophobicContact CZ-CG 4.16Å; F15-Q19 WeakPolarHBondContact O-CG 3.14Å; F15-Q19 PolarHBondContact O-N 3.42Å; K16-Q19 PolarHBondContact O-N 3Å; Q19-K22 PolarHBondContact O-N 2.89Å; Q19-T23 PolarHBondContact O-N 3.29Å; Q19-T23 PolarHBondContact O-OG1 3.46Å |
| 20 | L | 95.3 | Very high | 92.3 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 172.3 | 178.7 | 61.1 | 0 | 0 | 0 | 111 | K16 N17 L18 K22 T23 L24 T46 | K16-L20 PolarHBondContact O-N 3.02Å; N17-L20 WeakPolarHBondContact O-CB 3.45Å; N17-L20 PolarHBondContact O-N 2.96Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.43Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.45Å; L20-T23 PolarHBondContact O-N 3.34Å; L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CG 4.05Å; L20-L24 HydrophobicContact CG-CD1 3.92Å; L20-L24 HydrophobicContact CG-CG 4.37Å; L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 3.11Å; L20-T46 HydrophobicContact CD2-CG2 4.01Å; L20-T46 HydrophobicContact CG-CG2 4.34Å |
| 21 | V | 94.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 174.7 | 171 | 0 | 0 | 0 | 0 | 110.9 | N17 L18 T23 L24 Y25 I43 T46 I47 I50 A95 F115 | N17-V21 WeakPolarHBondContact O-CG2 3.41Å; N17-V21 PolarHBondContact O-N 3.25Å; L18-V21 PolarHBondContact O-N 2.93Å; V21-T23 VanDerWaalsContact C-N 3.34Å; V21-T23 PolarHBondContact O-N 2.99Å; V21-L24 PolarHBondContact O-N 3.38Å; V21-Y25 WeakPolarHBondContact O-CB 3.44Å; V21-Y25 PolarHBondContact O-N 2.95Å; V21-I43 HydrophobicContact CG1-CG2 4.34Å; V21-T46 HydrophobicContact CG2-CG2 3.58Å; V21-I47 HydrophobicContact CB-CG1 4.5Å; V21-I47 HydrophobicContact CG1-CD1 4.05Å; V21-I47 HydrophobicContact CG1-CG1 3.8Å; V21-I47 HydrophobicContact CG2-CG1 3.78Å; V21-I50 HydrophobicContact CG2-CD1 3.72Å; V21-A95 HydrophobicContact CG1-CB 4.5Å; V21-F115 HydrophobicContact CB-CE1 4.4Å; V21-F115 HydrophobicContact CG1-CE1 3.88Å; V21-F115 HydrophobicContact CG1-CZ 4.12Å |
| 22 | K | 94.1 | Very high | 90.3 | Very high | 86 Ų | 86 | 61 Ų | 61 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.8 | -50.3 | 175.8 | 179.7 | -178 | -179.5 | 178.8 | 0 | 111.7 | L18 Q19 L20 Y25 E26 F115 | L18-K22 PolarHBondContact O-N 3.49Å; Q19-K22 PolarHBondContact O-N 2.89Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.45Å; K22-Y25 PolarHBondContact O-N 3.28Å; K22-E26 WeakPolarHBondContact O-CG 3.22Å; K22-E26 PolarHBondContact O-N 3.33Å; K22-F115 HydrophobicContact CB-CB 4.47Å; K22-F115 HydrophobicContact CB-CD1 3.79Å; K22-F115 HydrophobicContact CB-CD2 3.98Å; K22-F115 HydrophobicContact CB-CE1 3.94Å; K22-F115 HydrophobicContact CB-CE2 4.09Å; K22-F115 HydrophobicContact CB-CG 3.83Å; K22-F115 HydrophobicContact CB-CZ 4.09Å; K22-F115 HydrophobicContact CD-CB 3.92Å; K22-F115 HydrophobicContact CD-CD2 4.23Å; K22-F115 HydrophobicContact CD-CG 4.08Å; K22-F115 HydrophobicContact CG-CB 4.32Å; K22-F115 HydrophobicContact CG-CD1 4.39Å; K22-F115 HydrophobicContact CG-CD2 3.74Å; K22-F115 HydrophobicContact CG-CE2 4.09Å; K22-F115 HydrophobicContact CG-CG 3.91Å |
| 23 | T | 93.6 | Very high | 88.7 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63 | -45.4 | -178.2 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | Q19 L20 V21 D27 | Q19-T23 PolarHBondContact O-N 3.29Å; Q19-T23 PolarHBondContact O-OG1 3.46Å; L20-T23 PolarHBondContact O-N 3.34Å; V21-T23 VanDerWaalsContact C-N 3.34Å; V21-T23 PolarHBondContact O-N 2.99Å; T23-D27 PolarHBondContact O-N 3.41Å; T23-D27 VanDerWaalsContact O-N 3.16Å |
| 24 | L | 91.1 | Very high | 86.9 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.8 | -67.1 | 172.3 | 0 | 0 | 0 | 111.3 | L20 V21 E26 D27 W28 L39 K42 I43 | L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CG 4.05Å; L20-L24 HydrophobicContact CG-CD1 3.92Å; L20-L24 HydrophobicContact CG-CG 4.37Å; L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 3.11Å; V21-L24 PolarHBondContact O-N 3.38Å; L24-E26 PolarHBondContact O-N 3.42Å; L24-D27 PolarHBondContact O-N 3.11Å; L24-W28 WeakPolarHBondContact O-CB 3.41Å; L24-W28 PolarHBondContact O-N 2.88Å; L24-L39 HydrophobicContact CB-CD2 4.08Å; L24-L39 HydrophobicContact CD2-CD2 4.41Å; L24-L39 WeakPolarHBondContact O-CD2 3.33Å; L24-K42 HydrophobicContact CD1-CB 4.45Å; L24-K42 HydrophobicContact CD1-CD 4.03Å; L24-K42 HydrophobicContact CD1-CG 3.83Å; L24-K42 HydrophobicContact CD2-CD 4Å; L24-I43 HydrophobicContact CB-CD1 4.14Å; L24-I43 HydrophobicContact CB-CG1 3.46Å; L24-I43 VanDerWaalsContact CB-CG1 3.46Å; L24-I43 HydrophobicContact CD1-CG1 4.27Å; L24-I43 HydrophobicContact CG-CG1 4.48Å |
| 25 | Y | 88.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 179.8 | -179.8 | -95.4 | 0 | 0 | 0 | 112.1 | V21 K22 W28 R29 C98 L99 I113 F115 | V21-Y25 WeakPolarHBondContact O-CB 3.44Å; V21-Y25 PolarHBondContact O-N 2.95Å; K22-Y25 PolarHBondContact O-N 3.28Å; Y25-W28 HydrophobicContact CD2-CE3 4.16Å; Y25-W28 HydrophobicContact CD2-CZ3 4.29Å; Y25-W28 HydrophobicContact CE2-CE3 4.06Å; Y25-W28 AromaticContact CE2-CZ3 3.76Å; Y25-W28 HydrophobicContact CE2-CZ3 3.76Å; Y25-W28 PolarHBondContact O-N 3.49Å; Y25-R29 VanDerWaalsContact O-CB 3.28Å; Y25-R29 WeakPolarHBondContact O-CB 3.36Å; Y25-R29 PolarHBondContact O-N 3.42Å; Y25-C98 HydrophobicContact CE2-CB 4.1Å; Y25-L99 HydrophobicContact CD2-CD2 4.12Å; Y25-L99 HydrophobicContact CE2-CD2 4.28Å; Y25-I113 HydrophobicContact CD1-CD1 3.96Å; Y25-I113 HydrophobicContact CD2-CD1 3.88Å; Y25-I113 HydrophobicContact CE1-CD1 3.61Å; Y25-I113 HydrophobicContact CE1-CG1 4.12Å; Y25-I113 HydrophobicContact CE2-CD1 3.52Å; Y25-I113 HydrophobicContact CG-CD1 4.09Å; Y25-F115 HydrophobicContact CD1-CE2 4.42Å |
| 26 | E | 88.1 | Confident | 84 | Confident | 78 Ų | 78 | 64 Ų | 64 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 177.1 | -67.3 | -59 | 154.5 | 0 | 0 | 112.3 | K22 L24 R29 G30 | K22-E26 WeakPolarHBondContact O-CG 3.22Å; K22-E26 PolarHBondContact O-N 3.33Å; L24-E26 PolarHBondContact O-N 3.42Å; E26-R29 PolarHBondContact O-N 3.33Å; E26-G30 PolarHBondContact O-N 2.91Å |
| 27 | D | 87.5 | Confident | 83 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 172.3 | -176.5 | 28.6 | 0 | 0 | 0 | 110.3 | T23 L24 R29 G30 R31 L39 | T23-D27 PolarHBondContact O-N 3.41Å; T23-D27 VanDerWaalsContact O-N 3.16Å; L24-D27 PolarHBondContact O-N 3.11Å; D27-R29 VanDerWaalsContact C-N 3.34Å; D27-R29 PolarHBondContact O-N 3.03Å; D27-G30 PolarHBondContact O-N 3.44Å; D27-G30 VanDerWaalsContact O-N 3.16Å; D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 2.88Å; D27-R31 IonicContact OD1-CZ 3.99Å; D27-R31 IonicContact OD1-NE 3.75Å; D27-R31 PolarHBondContact OD1-NE 2.74Å; D27-R31 IonicContact OD1-NH2 2.77Å; D27-R31 PolarHBondContact OD1-NH2 3.17Å; D27-R31 IonicContact OD2-CZ 2.81Å; D27-R31 IonicContact OD2-NE 2.69Å; D27-R31 PolarHBondContact OD2-NE 3.38Å; D27-R31 IonicContact OD2-NH2 2.72Å; D27-R31 PolarHBondContact OD2-NH2 3.11Å; D27-L39 HydrophobicContact CB-CD1 4.14Å; D27-L39 VanDerWaalsContact OD2-CD1 3.25Å; D27-L39 WeakPolarHBondContact OD2-CD1 3.48Å |
| 28 | W | 85.5 | Confident | 82.2 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 5% | 0.053 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -40 | 179.3 | 174.1 | 82.2 | 0 | 0 | 0 | 113.7 | L24 Y25 G30 R31 L39 L40 I43 L99 S102 K107 | L24-W28 WeakPolarHBondContact O-CB 3.41Å; L24-W28 PolarHBondContact O-N 2.88Å; Y25-W28 HydrophobicContact CD2-CE3 4.16Å; Y25-W28 HydrophobicContact CD2-CZ3 4.29Å; Y25-W28 HydrophobicContact CE2-CE3 4.06Å; Y25-W28 AromaticContact CE2-CZ3 3.76Å; Y25-W28 HydrophobicContact CE2-CZ3 3.76Å; Y25-W28 PolarHBondContact O-N 3.49Å; W28-G30 VanDerWaalsContact C-N 3.33Å; W28-R31 PolarHBondContact O-N 3.04Å; W28-L39 HydrophobicContact CB-CD1 3.91Å; W28-L39 HydrophobicContact CB-CD2 3.64Å; W28-L39 HydrophobicContact CB-CG 4.36Å; W28-L39 HydrophobicContact CG-CD2 4.42Å; W28-L40 HydrophobicContact CZ2-CD1 4.33Å; W28-I43 HydrophobicContact CB-CD1 3.79Å; W28-I43 HydrophobicContact CG-CD1 4.13Å; W28-L99 HydrophobicContact CE3-CD2 4.3Å; W28-L99 HydrophobicContact CH2-CD2 4.16Å; W28-L99 HydrophobicContact CZ3-CD2 4.08Å; W28-S102 VanDerWaalsContact CH2-CB 3.42Å; W28-S102 WeakPolarHBondContact CH2-OG 3.44Å; W28-K107 HydrophobicContact CZ2-CG 4.41Å |
| 29 | R | 82.1 | Confident | 81.6 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 177.4 | -172.8 | -177.2 | -174.7 | -154.5 | 5.7 | 111.9 | Y25 E26 D27 R31 D110 | Y25-R29 VanDerWaalsContact O-CB 3.28Å; Y25-R29 WeakPolarHBondContact O-CB 3.36Å; Y25-R29 PolarHBondContact O-N 3.42Å; E26-R29 PolarHBondContact O-N 3.33Å; D27-R29 VanDerWaalsContact C-N 3.34Å; D27-R29 PolarHBondContact O-N 3.03Å; R29-R31 VanDerWaalsContact C-N 3.31Å; R29-D110 PolarHBondContact NH2-O 2.97Å |
| 30 | G | 82.6 | Confident | 81 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 62% | 0.619 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -71.4 | -22.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E26 D27 W28 | E26-G30 PolarHBondContact O-N 2.91Å; D27-G30 PolarHBondContact O-N 3.44Å; D27-G30 VanDerWaalsContact O-N 3.16Å; W28-G30 VanDerWaalsContact C-N 3.33Å |
| 31 | R | 79.3 | Confident | 80.4 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | trans | -79.8 | 123.7 | -176.1 | -71.1 | -172.4 | -168 | -150 | 6.1 | 113 | D27 W28 R29 D36 K107 | D27-R31 WeakPolarHBondContact O-CG 3.47Å; D27-R31 PolarHBondContact O-N 2.88Å; D27-R31 IonicContact OD1-CZ 3.99Å; D27-R31 IonicContact OD1-NE 3.75Å; D27-R31 PolarHBondContact OD1-NE 2.74Å; D27-R31 IonicContact OD1-NH2 2.77Å; D27-R31 PolarHBondContact OD1-NH2 3.17Å; D27-R31 IonicContact OD2-CZ 2.81Å; D27-R31 IonicContact OD2-NE 2.69Å; D27-R31 PolarHBondContact OD2-NE 3.38Å; D27-R31 IonicContact OD2-NH2 2.72Å; D27-R31 PolarHBondContact OD2-NH2 3.11Å; W28-R31 PolarHBondContact O-N 3.04Å; R29-R31 VanDerWaalsContact C-N 3.31Å; R31-D36 WeakPolarHBondContact CB-OD2 3.34Å; R31-D36 WeakPolarHBondContact CD-OD2 3.38Å; R31-D36 IonicContact CZ-OD1 3.39Å; R31-D36 IonicContact NH1-OD1 2.85Å; R31-D36 PolarHBondContact NH1-OD1 2.98Å; R31-D36 IonicContact NH1-OD2 3.52Å; R31-K107 PolarHBondContact O-NZ 2.94Å; R31-K107 VanDerWaalsContact O-NZ 3.11Å | ||
| 32 | L | 64.7 | Low | 80.1 | Confident | 135 Ų | 135 | 67.3 Ų | 67.3 | 71% | 0.707 | 36% | 0.36 | S | S | * | . | trans | -73 | -25.4 | 179.3 | -71.3 | 107.6 | 0 | 0 | 0 | 113.7 | ||||
| 33 | N | 62.2 | Low | 79.9 | Confident | 118 Ų | 118 | 63.2 Ų | 63.2 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | trans | -86.4 | 140.2 | -172 | -68.6 | -26.1 | 0 | 0 | 0 | 111.3 | G35 K107 | N33-G35 PolarHBondContact O-N 2.91Å; N33-K107 PolarHBondContact O-NZ 3.24Å; N33-K107 VanDerWaalsContact O-NZ 3.15Å | ||
| 34 | P | 57.2 | Low | 79.7 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 0 | 175.7 | 27 | -31.7 | 0 | 0 | 0 | 114.6 | ||
| 35 | G | 61 | Low | 79.5 | Confident | 28 Ų | 28 | 64 Ų | 64 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 9.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | N33 Q37 E222 | N33-G35 PolarHBondContact O-N 2.91Å; G35-Q37 PolarHBondContact O-N 2.98Å; G35-E222 WeakPolarHBondContact CA-OE1 3.46Å |
| 36 | D | 71.5 | Confident | 79.7 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 20% | 0.198 | 34% | 0.339 | C | S | . | . | trans | -84.2 | 46 | 178.8 | -63.1 | -68 | 0 | 0 | 0 | 111.9 | R31 E38 L39 L40 | R31-D36 WeakPolarHBondContact CB-OD2 3.34Å; R31-D36 WeakPolarHBondContact CD-OD2 3.38Å; R31-D36 IonicContact CZ-OD1 3.39Å; R31-D36 IonicContact NH1-OD1 2.85Å; R31-D36 PolarHBondContact NH1-OD1 2.98Å; R31-D36 IonicContact NH1-OD2 3.52Å; D36-E38 PolarHBondContact O-N 3.37Å; D36-L39 HydrophobicContact CB-CB 4.12Å; D36-L39 WeakPolarHBondContact O-CB 3.42Å; D36-L39 PolarHBondContact O-N 3.36Å; D36-L39 VanDerWaalsContact O-N 3.08Å; D36-L40 PolarHBondContact O-N 3.46Å; D36-L40 VanDerWaalsContact O-N 3.14Å | ||
| 37 | Q | 74.5 | Confident | 80 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -34.4 | -178.6 | -171 | 68.2 | -9.4 | 0 | 0 | 111.6 | G35 L39 L40 T41 L215 D218 | G35-Q37 PolarHBondContact O-N 2.98Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 3.45Å; Q37-L40 PolarHBondContact O-N 3.08Å; Q37-T41 WeakPolarHBondContact O-CB 3.34Å; Q37-T41 PolarHBondContact O-N 2.63Å; Q37-T41 PolarHBondContact O-OG1 3.27Å; Q37-L215 HydrophobicContact CG-CD1 4.17Å; Q37-L215 HydrophobicContact CG-CG 4.39Å; Q37-D218 HydrophobicContact CG-CB 4.33Å; Q37-D218 PolarHBondContact NE2-OD2 3.34Å |
| 38 | E | 79.9 | Confident | 80.1 | Confident | 168 Ų | 168 | 58.9 Ų | 58.9 | 79% | 0.785 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.6 | -44 | 174 | -174.1 | -171 | 168.6 | 0 | 0 | 111.7 | D36 T41 K42 | D36-E38 PolarHBondContact O-N 3.37Å; E38-T41 WeakPolarHBondContact O-CB 3.44Å; E38-T41 PolarHBondContact O-N 3.19Å; E38-K42 WeakPolarHBondContact O-CB 3.48Å; E38-K42 PolarHBondContact O-N 2.85Å |
| 39 | L | 84 | Confident | 80.4 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 179.8 | -160 | 179.3 | 0 | 0 | 0 | 109.7 | L24 D27 W28 D36 Q37 T41 K42 I43 | L24-L39 HydrophobicContact CB-CD2 4.08Å; L24-L39 HydrophobicContact CD2-CD2 4.41Å; L24-L39 WeakPolarHBondContact O-CD2 3.33Å; D27-L39 HydrophobicContact CB-CD1 4.14Å; D27-L39 VanDerWaalsContact OD2-CD1 3.25Å; D27-L39 WeakPolarHBondContact OD2-CD1 3.48Å; W28-L39 HydrophobicContact CB-CD1 3.91Å; W28-L39 HydrophobicContact CB-CD2 3.64Å; W28-L39 HydrophobicContact CB-CG 4.36Å; W28-L39 HydrophobicContact CG-CD2 4.42Å; D36-L39 HydrophobicContact CB-CB 4.12Å; D36-L39 WeakPolarHBondContact O-CB 3.42Å; D36-L39 PolarHBondContact O-N 3.36Å; D36-L39 VanDerWaalsContact O-N 3.08Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 3.45Å; L39-T41 VanDerWaalsContact C-N 3.29Å; L39-T41 PolarHBondContact O-N 2.88Å; L39-K42 WeakPolarHBondContact O-CB 3.39Å; L39-K42 PolarHBondContact O-N 2.93Å; L39-K42 VanDerWaalsContact O-N 3.11Å; L39-I43 HydrophobicContact CD2-CD1 3.32Å; L39-I43 HydrophobicContact CD2-CG1 3.66Å; L39-I43 WeakPolarHBondContact O-CG1 3.16Å; L39-I43 PolarHBondContact O-N 3.25Å |
| 40 | L | 82.8 | Confident | 81 | Confident | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177.5 | -176.3 | 56.4 | 0 | 0 | 0 | 111.9 | W28 D36 Q37 K42 I43 R44 L99 | W28-L40 HydrophobicContact CZ2-CD1 4.33Å; D36-L40 PolarHBondContact O-N 3.46Å; D36-L40 VanDerWaalsContact O-N 3.14Å; Q37-L40 PolarHBondContact O-N 3.08Å; L40-K42 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 2.72Å; L40-I43 PolarHBondContact O-N 2.74Å; L40-R44 VanDerWaalsContact CG-CZ 3.48Å; L40-R44 WeakPolarHBondContact O-CB 3.45Å; L40-R44 WeakPolarHBondContact O-CG 3.5Å; L40-R44 PolarHBondContact O-N 2.61Å; L40-L99 HydrophobicContact CD1-CD2 3.59Å |
| 41 | T | 84 | Confident | 81.5 | Confident | 44 Ų | 44 | 57.9 Ų | 57.9 | 27% | 0.27 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58 | -48.1 | 173.4 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | Q37 E38 L39 I43 R44 Q45 L215 | Q37-T41 WeakPolarHBondContact O-CB 3.34Å; Q37-T41 PolarHBondContact O-N 2.63Å; Q37-T41 PolarHBondContact O-OG1 3.27Å; E38-T41 WeakPolarHBondContact O-CB 3.44Å; E38-T41 PolarHBondContact O-N 3.19Å; L39-T41 VanDerWaalsContact C-N 3.29Å; L39-T41 PolarHBondContact O-N 2.88Å; T41-I43 PolarHBondContact O-N 2.91Å; T41-R44 PolarHBondContact O-N 3.27Å; T41-Q45 WeakPolarHBondContact O-CB 3.37Å; T41-Q45 PolarHBondContact O-N 3Å; T41-L215 HydrophobicContact CG2-CD1 4.35Å; T41-L215 HydrophobicContact CG2-CD2 3.45Å; T41-L215 VanDerWaalsContact CG2-CD2 3.45Å; T41-L215 WeakPolarHBondContact OG1-CD1 3.39Å; T41-L215 WeakPolarHBondContact OG1-CD2 3.48Å |
| 42 | K | 87.6 | Confident | 82 | Confident | 109 Ų | 109 | 56.5 Ų | 56.5 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 179.8 | -169.8 | 177.5 | -179 | 175.2 | 0 | 112 | L24 E38 L39 L40 T46 | L24-K42 HydrophobicContact CD1-CB 4.45Å; L24-K42 HydrophobicContact CD1-CD 4.03Å; L24-K42 HydrophobicContact CD1-CG 3.83Å; L24-K42 HydrophobicContact CD2-CD 4Å; E38-K42 WeakPolarHBondContact O-CB 3.48Å; E38-K42 PolarHBondContact O-N 2.85Å; L39-K42 WeakPolarHBondContact O-CB 3.39Å; L39-K42 PolarHBondContact O-N 2.93Å; L39-K42 VanDerWaalsContact O-N 3.11Å; L40-K42 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 2.72Å; K42-T46 WeakPolarHBondContact O-CB 3.5Å; K42-T46 PolarHBondContact O-N 3.42Å; K42-T46 PolarHBondContact O-OG1 2.9Å |
| 43 | I | 89.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -53.5 | 173.8 | -65.2 | 165.6 | 0 | 0 | 0 | 109.6 | V21 L24 W28 L39 L40 T41 Q45 T46 I47 L99 | V21-I43 HydrophobicContact CG1-CG2 4.34Å; L24-I43 HydrophobicContact CB-CD1 4.14Å; L24-I43 HydrophobicContact CB-CG1 3.46Å; L24-I43 VanDerWaalsContact CB-CG1 3.46Å; L24-I43 HydrophobicContact CD1-CG1 4.27Å; L24-I43 HydrophobicContact CG-CG1 4.48Å; W28-I43 HydrophobicContact CB-CD1 3.79Å; W28-I43 HydrophobicContact CG-CD1 4.13Å; L39-I43 HydrophobicContact CD2-CD1 3.32Å; L39-I43 HydrophobicContact CD2-CG1 3.66Å; L39-I43 WeakPolarHBondContact O-CG1 3.16Å; L39-I43 PolarHBondContact O-N 3.25Å; L40-I43 PolarHBondContact O-N 2.74Å; T41-I43 PolarHBondContact O-N 2.91Å; I43-Q45 VanDerWaalsContact C-N 3.33Å; I43-Q45 PolarHBondContact O-N 3.49Å; I43-T46 PolarHBondContact O-N 2.92Å; I43-T46 VanDerWaalsContact O-N 3.15Å; I43-I47 HydrophobicContact CG2-CD1 3.66Å; I43-I47 HydrophobicContact CG2-CG1 4.23Å; I43-I47 WeakPolarHBondContact O-CB 3.35Å; I43-I47 WeakPolarHBondContact O-CG1 3.4Å; I43-I47 PolarHBondContact O-N 3.26Å; I43-L99 HydrophobicContact CB-CD1 4.48Å; I43-L99 HydrophobicContact CD1-CD2 4.33Å; I43-L99 HydrophobicContact CG2-CD1 3.45Å; I43-L99 VanDerWaalsContact CG2-CD1 3.45Å; I43-L99 HydrophobicContact CG2-CD2 4.14Å; I43-L99 HydrophobicContact CG2-CG 4.42Å |
| 44 | R | 88.8 | Confident | 84.9 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.3 | -46.4 | -178.9 | -73 | 177.2 | -179.7 | 144.5 | -3.8 | 111.3 | L40 T41 T46 I47 K48 | L40-R44 VanDerWaalsContact CG-CZ 3.48Å; L40-R44 WeakPolarHBondContact O-CB 3.45Å; L40-R44 WeakPolarHBondContact O-CG 3.5Å; L40-R44 PolarHBondContact O-N 2.61Å; T41-R44 PolarHBondContact O-N 3.27Å; R44-T46 PolarHBondContact O-N 2.92Å; R44-I47 PolarHBondContact O-N 3.48Å; R44-K48 VanDerWaalsContact O-CG 3.28Å; R44-K48 WeakPolarHBondContact O-CG 3.29Å; R44-K48 PolarHBondContact O-N 3.11Å |
| 45 | Q | 87.4 | Confident | 86.5 | Confident | 70 Ų | 70 | 42.7 Ų | 42.7 | 33% | 0.327 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60 | -45.6 | 176.6 | -174.9 | 62.6 | 58.1 | 0 | 0 | 112 | T41 I43 K48 N49 E208 | T41-Q45 WeakPolarHBondContact O-CB 3.37Å; T41-Q45 PolarHBondContact O-N 3Å; I43-Q45 VanDerWaalsContact C-N 3.33Å; I43-Q45 PolarHBondContact O-N 3.49Å; Q45-K48 PolarHBondContact O-N 3.11Å; Q45-N49 PolarHBondContact NE2-OD1 3.04Å; Q45-N49 VanDerWaalsContact O-CG 3.26Å; Q45-N49 PolarHBondContact O-N 3.06Å; Q45-N49 PolarHBondContact O-OD1 3.22Å; Q45-E208 PolarHBondContact OE1-OE1 3.22Å |
| 46 | T | 93.3 | Very high | 87.9 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 8% | 0.08 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -42.2 | -179.2 | -50.3 | 0 | 0 | 0 | 0 | 111 | N17 L20 V21 K42 I43 R44 K48 N49 I50 | N17-T46 HydrophobicContact CB-CG2 4.26Å; L20-T46 HydrophobicContact CD2-CG2 4.01Å; L20-T46 HydrophobicContact CG-CG2 4.34Å; V21-T46 HydrophobicContact CG2-CG2 3.58Å; K42-T46 WeakPolarHBondContact O-CB 3.5Å; K42-T46 PolarHBondContact O-N 3.42Å; K42-T46 PolarHBondContact O-OG1 2.9Å; I43-T46 PolarHBondContact O-N 2.92Å; I43-T46 VanDerWaalsContact O-N 3.15Å; R44-T46 PolarHBondContact O-N 2.92Å; T46-K48 VanDerWaalsContact C-N 3.32Å; T46-K48 PolarHBondContact O-N 3.03Å; T46-N49 PolarHBondContact O-N 3.44Å; T46-I50 HydrophobicContact CG2-CD1 4.38Å; T46-I50 WeakPolarHBondContact O-CD1 3.32Å; T46-I50 WeakPolarHBondContact O-CG1 3.36Å; T46-I50 PolarHBondContact O-N 3.36Å; T46-I50 VanDerWaalsContact O-N 3.11Å |
| 47 | I | 93.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 174.1 | -75.1 | 177.3 | 0 | 0 | 0 | 111 | V21 I43 R44 I50 E51 V92 A95 K96 L99 | V21-I47 HydrophobicContact CB-CG1 4.5Å; V21-I47 HydrophobicContact CG1-CD1 4.05Å; V21-I47 HydrophobicContact CG1-CG1 3.8Å; V21-I47 HydrophobicContact CG2-CG1 3.78Å; I43-I47 HydrophobicContact CG2-CD1 3.66Å; I43-I47 HydrophobicContact CG2-CG1 4.23Å; I43-I47 WeakPolarHBondContact O-CB 3.35Å; I43-I47 WeakPolarHBondContact O-CG1 3.4Å; I43-I47 PolarHBondContact O-N 3.26Å; R44-I47 PolarHBondContact O-N 3.48Å; I47-I50 WeakPolarHBondContact O-CB 3.4Å; I47-I50 PolarHBondContact O-N 3.1Å; I47-E51 PolarHBondContact O-N 3.4Å; I47-V92 HydrophobicContact CG2-CG1 4.05Å; I47-A95 HydrophobicContact CD1-CB 3.72Å; I47-K96 HydrophobicContact CG2-CD 3.8Å; I47-K96 HydrophobicContact CG2-CG 3.55Å; I47-L99 HydrophobicContact CD1-CD1 3.38Å |
| 48 | K | 89.7 | Confident | 89.8 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 178.4 | -72.2 | 178.7 | -176.3 | -177.9 | 0 | 111.9 | R44 Q45 T46 I50 E51 W52 E208 D211 | R44-K48 VanDerWaalsContact O-CG 3.28Å; R44-K48 WeakPolarHBondContact O-CG 3.29Å; R44-K48 PolarHBondContact O-N 3.11Å; Q45-K48 PolarHBondContact O-N 3.11Å; T46-K48 VanDerWaalsContact C-N 3.32Å; T46-K48 PolarHBondContact O-N 3.03Å; K48-I50 PolarHBondContact O-N 2.89Å; K48-E51 WeakPolarHBondContact O-CA 3.29Å; K48-E51 WeakPolarHBondContact O-CB 3.32Å; K48-E51 PolarHBondContact O-N 2.89Å; K48-W52 PolarHBondContact O-N 2.75Å; K48-E208 WeakPolarHBondContact CD-OE2 3.17Å; K48-E208 WeakPolarHBondContact CE-OE2 3.17Å; K48-E208 IonicContact NZ-OE1 3.98Å; K48-E208 IonicContact NZ-OE2 2.61Å; K48-E208 PolarHBondContact NZ-OE2 2.83Å; K48-D211 WeakPolarHBondContact CE-OD2 3.45Å; K48-D211 VanDerWaalsContact NZ-CB 3.32Å; K48-D211 IonicContact NZ-OD2 3.48Å; K48-D211 PolarHBondContact NZ-OD2 3.3Å |
| 49 | N | 92.2 | Very high | 90.3 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 35% | 0.353 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -53.7 | -44.5 | 175.3 | -66 | -2.2 | 0 | 0 | 0 | 110.8 | Q45 T46 E51 W52 D53 | Q45-N49 PolarHBondContact NE2-OD1 3.04Å; Q45-N49 VanDerWaalsContact O-CG 3.26Å; Q45-N49 PolarHBondContact O-N 3.06Å; Q45-N49 PolarHBondContact O-OD1 3.22Å; T46-N49 PolarHBondContact O-N 3.44Å; N49-E51 PolarHBondContact O-N 3.47Å; N49-W52 WeakPolarHBondContact O-CB 3.33Å; N49-W52 PolarHBondContact O-N 3.4Å; N49-D53 PolarHBondContact O-N 2.92Å |
| 50 | I | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 175.2 | -60.7 | 157.5 | 0 | 0 | 0 | 111.5 | V14 N17 L18 V21 T46 I47 K48 W52 D53 L54 V92 | V14-I50 HydrophobicContact CG1-CG2 4.16Å; N17-I50 HydrophobicContact CB-CD1 3.79Å; N17-I50 HydrophobicContact CB-CG1 3.54Å; L18-I50 HydrophobicContact CD2-CD1 4.06Å; L18-I50 HydrophobicContact CD2-CG2 4.4Å; L18-I50 HydrophobicContact CG-CD1 4Å; L18-I50 HydrophobicContact CG-CG2 4.38Å; V21-I50 HydrophobicContact CG2-CD1 3.72Å; T46-I50 HydrophobicContact CG2-CD1 4.38Å; T46-I50 WeakPolarHBondContact O-CD1 3.32Å; T46-I50 WeakPolarHBondContact O-CG1 3.36Å; T46-I50 PolarHBondContact O-N 3.36Å; T46-I50 VanDerWaalsContact O-N 3.11Å; I47-I50 WeakPolarHBondContact O-CB 3.4Å; I47-I50 PolarHBondContact O-N 3.1Å; K48-I50 PolarHBondContact O-N 2.89Å; I50-W52 PolarHBondContact O-N 3Å; I50-D53 PolarHBondContact O-N 3.5Å; I50-L54 HydrophobicContact CG2-CD1 3.69Å; I50-L54 HydrophobicContact CG2-CG 3.93Å; I50-L54 WeakPolarHBondContact O-CB 3.45Å; I50-L54 WeakPolarHBondContact O-CG 3.22Å; I50-L54 PolarHBondContact O-N 3.43Å; I50-V92 HydrophobicContact CB-CG2 4.26Å; I50-V92 HydrophobicContact CG2-CG2 3.61Å |
| 51 | E | 92.9 | Very high | 90.9 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.4 | -32.2 | 175.9 | -72.9 | -176.8 | 129.4 | 0 | 0 | 113.2 | I47 K48 N49 M55 V92 K96 | I47-E51 PolarHBondContact O-N 3.4Å; K48-E51 WeakPolarHBondContact O-CA 3.29Å; K48-E51 WeakPolarHBondContact O-CB 3.32Å; K48-E51 PolarHBondContact O-N 2.89Å; N49-E51 PolarHBondContact O-N 3.47Å; E51-M55 PolarHBondContact O-N 3.04Å; E51-V92 HydrophobicContact CG-CG1 3.44Å; E51-V92 VanDerWaalsContact CG-CG1 3.44Å; E51-K96 WeakPolarHBondContact OE1-CD 3.4Å; E51-K96 IonicContact OE1-NZ 3.92Å; E51-K96 PolarHBondContact OE1-NZ 3.43Å; E51-K96 IonicContact OE2-NZ 3.59Å; E51-K96 PolarHBondContact OE2-NZ 3.33Å |
| 52 | W | 89.9 | Confident | 91.2 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 27% | 0.269 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.8 | -51.1 | 172 | -67.9 | 105.1 | 0 | 0 | 0 | 111.3 | K48 N49 I50 L54 M55 D56 M201 R204 | K48-W52 PolarHBondContact O-N 2.75Å; N49-W52 WeakPolarHBondContact O-CB 3.33Å; N49-W52 PolarHBondContact O-N 3.4Å; I50-W52 PolarHBondContact O-N 3Å; W52-L54 VanDerWaalsContact C-N 3.25Å; W52-L54 PolarHBondContact O-N 2.9Å; W52-M55 WeakPolarHBondContact O-CA 3.24Å; W52-M55 WeakPolarHBondContact O-CB 3.44Å; W52-M55 PolarHBondContact O-N 3.49Å; W52-D56 PolarHBondContact O-N 2.95Å; W52-D56 VanDerWaalsContact O-N 3.1Å; W52-M201 HydrophobicContact CH2-CB 4.22Å; W52-M201 HydrophobicContact CH2-CG 3.78Å; W52-M201 HydrophobicContact CZ3-CB 4.27Å; W52-M201 HydrophobicContact CZ3-CG 4.02Å; W52-R204 HydrophobicContact CH2-CB 3.32Å; W52-R204 HydrophobicContact CH2-CG 3.85Å; W52-R204 HydrophobicContact CZ2-CB 3.19Å; W52-R204 VanDerWaalsContact CZ2-CD 3.47Å; W52-R204 HydrophobicContact CZ2-CG 3.92Å; W52-R204 HydrophobicContact CZ3-CB 4.28Å; W52-R204 HydrophobicContact CZ3-CG 4.35Å |
| 53 | D | 92.9 | Very high | 91.1 | Very high | 25 Ų | 25 | 42 Ų | 42 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -39.9 | 179.3 | -60.2 | -25.6 | 0 | 0 | 0 | 111.7 | M10 V14 N49 I50 M55 D56 L57 | M10-D53 HydrophobicContact CE-CB 4.37Å; V14-D53 HydrophobicContact CG2-CB 3.42Å; V14-D53 VanDerWaalsContact CG2-CB 3.42Å; N49-D53 PolarHBondContact O-N 2.92Å; I50-D53 PolarHBondContact O-N 3.5Å; D53-M55 VanDerWaalsContact C-N 3.32Å; D53-M55 PolarHBondContact O-N 3.37Å; D53-D56 PolarHBondContact O-N 3.45Å; D53-L57 VanDerWaalsContact O-CB 3.29Å; D53-L57 WeakPolarHBondContact O-CB 3.13Å; D53-L57 VanDerWaalsContact O-CG 3.27Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.09Å |
| 54 | L | 95.2 | Very high | 91 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.5 | -27.4 | 177.4 | -67.3 | 175.1 | 0 | 0 | 0 | 112.9 | V14 I50 W52 L57 Q58 L85 A88 K89 V92 | V14-L54 HydrophobicContact CG1-CD2 3.94Å; I50-L54 HydrophobicContact CG2-CD1 3.69Å; I50-L54 HydrophobicContact CG2-CG 3.93Å; I50-L54 WeakPolarHBondContact O-CB 3.45Å; I50-L54 WeakPolarHBondContact O-CG 3.22Å; I50-L54 PolarHBondContact O-N 3.43Å; W52-L54 VanDerWaalsContact C-N 3.25Å; W52-L54 PolarHBondContact O-N 2.9Å; L54-L57 HydrophobicContact CD2-CD1 4.42Å; L54-Q58 WeakPolarHBondContact O-CB 3.35Å; L54-Q58 PolarHBondContact O-N 2.96Å; L54-L85 HydrophobicContact CB-CD1 4.05Å; L54-L85 HydrophobicContact CD2-CD1 3.79Å; L54-L85 HydrophobicContact CG-CD1 4.5Å; L54-L85 WeakPolarHBondContact O-CD1 3.31Å; L54-A88 HydrophobicContact CD1-CB 4.08Å; L54-A88 HydrophobicContact CD2-CB 3.61Å; L54-K89 HydrophobicContact CB-CG 4.46Å; L54-K89 HydrophobicContact CD1-CG 3.88Å; L54-V92 HydrophobicContact CD1-CG2 3.99Å |
| 55 | M | 90.7 | Very high | 90.9 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 30% | 0.3 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.8 | -51.7 | 172.6 | 175 | 151.5 | -75 | 0 | 0 | 110.5 | E51 W52 D53 L57 Q58 E59 R204 | E51-M55 PolarHBondContact O-N 3.04Å; W52-M55 WeakPolarHBondContact O-CA 3.24Å; W52-M55 WeakPolarHBondContact O-CB 3.44Å; W52-M55 PolarHBondContact O-N 3.49Å; D53-M55 VanDerWaalsContact C-N 3.32Å; D53-M55 PolarHBondContact O-N 3.37Å; M55-L57 VanDerWaalsContact C-N 3.27Å; M55-L57 PolarHBondContact O-N 2.89Å; M55-Q58 WeakPolarHBondContact O-CB 3.48Å; M55-Q58 PolarHBondContact O-N 3.3Å; M55-E59 PolarHBondContact O-N 3.31Å; M55-R204 PolarHBondContact SD-NH2 3.06Å |
| 56 | D | 89.9 | Confident | 90.8 | Very high | 81 Ų | 81 | 46.4 Ų | 46.4 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.3 | -38.8 | -180 | -68.3 | -13.2 | 0 | 0 | 0 | 111 | W52 D53 E59 T60 | W52-D56 PolarHBondContact O-N 2.95Å; W52-D56 VanDerWaalsContact O-N 3.1Å; D53-D56 PolarHBondContact O-N 3.45Å; D56-E59 PolarHBondContact O-N 2.87Å; D56-T60 WeakPolarHBondContact O-CB 3.34Å; D56-T60 PolarHBondContact O-N 3.13Å; D56-T60 PolarHBondContact O-OG1 3.37Å |
| 57 | L | 94 | Very high | 90.5 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 172.7 | -80.5 | 174.2 | 0 | 0 | 0 | 112.4 | Y7 M10 V14 D53 L54 M55 T60 I61 F84 L85 | Y7-L57 HydrophobicContact CD2-CD2 3.79Å; Y7-L57 HydrophobicContact CE2-CD2 3.97Å; M10-L57 HydrophobicContact CB-CD1 4.42Å; M10-L57 HydrophobicContact CB-CD2 3.77Å; M10-L57 HydrophobicContact CB-CG 4.26Å; M10-L57 HydrophobicContact CG-CD2 4.45Å; V14-L57 HydrophobicContact CG2-CD1 3.94Å; D53-L57 VanDerWaalsContact O-CB 3.29Å; D53-L57 WeakPolarHBondContact O-CB 3.13Å; D53-L57 VanDerWaalsContact O-CG 3.27Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.09Å; L54-L57 HydrophobicContact CD2-CD1 4.42Å; M55-L57 VanDerWaalsContact C-N 3.27Å; M55-L57 PolarHBondContact O-N 2.89Å; L57-T60 PolarHBondContact O-N 3.42Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 WeakPolarHBondContact O-CD1 3.47Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 2.98Å; L57-F84 HydrophobicContact CD1-CE1 4.24Å; L57-L85 HydrophobicContact CB-CD1 4.35Å |
| 58 | Q | 92.8 | Very high | 89.9 | Confident | 97 Ų | 97 | 51.2 Ų | 51.2 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 176.6 | -177.6 | -175 | -30.4 | 0 | 0 | 111.5 | L54 M55 T60 I61 G62 L85 | L54-Q58 WeakPolarHBondContact O-CB 3.35Å; L54-Q58 PolarHBondContact O-N 2.96Å; M55-Q58 WeakPolarHBondContact O-CB 3.48Å; M55-Q58 PolarHBondContact O-N 3.3Å; Q58-T60 VanDerWaalsContact C-N 3.32Å; Q58-T60 PolarHBondContact O-N 3.37Å; Q58-I61 PolarHBondContact O-N 3.05Å; Q58-G62 PolarHBondContact O-N 3.22Å; Q58-L85 HydrophobicContact CB-CD1 4.42Å; Q58-L85 HydrophobicContact CB-CD2 3.72Å; Q58-L85 HydrophobicContact CG-CD2 4Å |
| 59 | E | 89.9 | Confident | 89.4 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.4 | -69.6 | -173.1 | -169.2 | 0 | 0 | 110.9 | M55 D56 I61 G62 A63 N197 | M55-E59 PolarHBondContact O-N 3.31Å; D56-E59 PolarHBondContact O-N 2.87Å; E59-I61 PolarHBondContact O-N 2.89Å; E59-G62 PolarHBondContact O-N 3.19Å; E59-A63 PolarHBondContact O-N 3.39Å; E59-N197 PolarHBondContact OE2-ND2 3.16Å; E59-N197 VanDerWaalsContact OE2-ND2 3.12Å |
| 60 | T | 89.8 | Confident | 88.9 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 179 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | D56 L57 Q58 A63 V64 | D56-T60 WeakPolarHBondContact O-CB 3.34Å; D56-T60 PolarHBondContact O-N 3.13Å; D56-T60 PolarHBondContact O-OG1 3.37Å; L57-T60 PolarHBondContact O-N 3.42Å; Q58-T60 VanDerWaalsContact C-N 3.32Å; Q58-T60 PolarHBondContact O-N 3.37Å; T60-A63 PolarHBondContact O-N 3.18Å; T60-V64 WeakPolarHBondContact O-CG2 3.46Å; T60-V64 PolarHBondContact O-N 2.93Å |
| 61 | I | 90.1 | Very high | 88.3 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.9 | -69 | 163.2 | 0 | 0 | 0 | 110.4 | Y7 L57 Q58 E59 A63 V64 E65 R81 R82 L85 | Y7-I61 HydrophobicContact CE2-CD1 4.34Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 WeakPolarHBondContact O-CD1 3.47Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 2.98Å; Q58-I61 PolarHBondContact O-N 3.05Å; E59-I61 PolarHBondContact O-N 2.89Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 2.81Å; I61-V64 WeakPolarHBondContact O-CB 3.39Å; I61-V64 PolarHBondContact O-N 3.28Å; I61-V64 VanDerWaalsContact O-N 3.17Å; I61-E65 HydrophobicContact CG2-CG 4.44Å; I61-E65 WeakPolarHBondContact O-CG 3.41Å; I61-E65 PolarHBondContact O-N 3.43Å; I61-R81 HydrophobicContact CD1-CB 3.75Å; I61-R81 HydrophobicContact CG1-CB 4.07Å; I61-R82 HydrophobicContact CG2-CG 4.01Å; I61-L85 HydrophobicContact CD1-CB 4.3Å; I61-L85 HydrophobicContact CD1-CD2 4.08Å |
| 62 | G | 89.1 | Confident | 87.8 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q58 E59 E65 N66 | Q58-G62 PolarHBondContact O-N 3.22Å; E59-G62 PolarHBondContact O-N 3.19Å; G62-E65 PolarHBondContact O-N 2.83Å; G62-N66 PolarHBondContact O-N 2.75Å; G62-N66 PolarHBondContact O-ND2 3.27Å; G62-N66 VanDerWaalsContact O-ND2 3.11Å |
| 63 | A | 86.6 | Confident | 87.5 | Confident | 52 Ų | 52 | 68 Ų | 68 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E59 T60 I61 | E59-A63 PolarHBondContact O-N 3.39Å; T60-A63 PolarHBondContact O-N 3.18Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 2.81Å |
| 64 | V | 87.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 174.9 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | T60 I61 N66 N67 P68 F71 L73 I78 | T60-V64 WeakPolarHBondContact O-CG2 3.46Å; T60-V64 PolarHBondContact O-N 2.93Å; I61-V64 WeakPolarHBondContact O-CB 3.39Å; I61-V64 PolarHBondContact O-N 3.28Å; I61-V64 VanDerWaalsContact O-N 3.17Å; V64-N66 PolarHBondContact O-N 3.25Å; V64-N67 CarbonylContact O-C 3.21Å; V64-N67 PolarHBondContact O-N 2.84Å; V64-P68 WeakPolarHBondContact O-CA 3.31Å; V64-P68 VanDerWaalsContact O-N 3.09Å; V64-F71 HydrophobicContact CB-CD2 4.13Å; V64-F71 HydrophobicContact CB-CE2 4.47Å; V64-F71 HydrophobicContact CG1-CB 4.42Å; V64-F71 HydrophobicContact CG1-CD2 4.23Å; V64-F71 HydrophobicContact CG2-CD1 4.36Å; V64-F71 HydrophobicContact CG2-CD2 3.82Å; V64-F71 HydrophobicContact CG2-CE2 4.07Å; V64-F71 HydrophobicContact CG2-CG 3.98Å; V64-F71 HydrophobicContact CG2-CZ 4.44Å; V64-L73 HydrophobicContact CG1-CB 4.43Å; V64-L73 HydrophobicContact CG1-CD1 3.51Å; V64-L73 HydrophobicContact CG2-CD1 4.29Å; V64-I78 HydrophobicContact CG1-CD1 4.02Å; V64-I78 HydrophobicContact CG1-CG1 4Å |
| 65 | E | 87.3 | Confident | 86.8 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.6 | -35.1 | 178.4 | -78 | 176.5 | -178.6 | 0 | 0 | 112.8 | I61 G62 N67 P68 I78 R82 | I61-E65 HydrophobicContact CG2-CG 4.44Å; I61-E65 WeakPolarHBondContact O-CG 3.41Å; I61-E65 PolarHBondContact O-N 3.43Å; G62-E65 PolarHBondContact O-N 2.83Å; E65-N67 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 2.85Å; E65-P68 WeakPolarHBondContact O-CD 3.44Å; E65-I78 HydrophobicContact CG-CG2 3.58Å; E65-R82 VanDerWaalsContact CD-NH1 3.26Å; E65-R82 WeakPolarHBondContact OE1-CD 3.19Å; E65-R82 WeakPolarHBondContact OE1-CG 3.34Å; E65-R82 IonicContact OE1-CZ 3.08Å; E65-R82 IonicContact OE1-NE 2.73Å; E65-R82 IonicContact OE1-NH1 3.6Å; E65-R82 PolarHBondContact OE1-NH1 3.36Å; E65-R82 IonicContact OE2-NH1 3.61Å; E65-R82 PolarHBondContact OE2-NH1 3.03Å; E65-R82 VanDerWaalsContact OE2-NH1 3.08Å |
| 66 | N | 85.6 | Confident | 86.6 | Confident | 144 Ų | 144 | 80.6 Ų | 80.6 | 77% | 0.77 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.8 | 177.8 | -68.7 | -35.5 | 0 | 0 | 0 | 113.4 | G62 V64 | G62-N66 PolarHBondContact O-N 2.75Å; G62-N66 PolarHBondContact O-ND2 3.27Å; G62-N66 VanDerWaalsContact O-ND2 3.11Å; V64-N66 PolarHBondContact O-N 3.25Å |
| 67 | N | 86.6 | Confident | 86.6 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 40% | 0.401 | 41% | 0.41 | S | S | . | . | trans | -150.3 | 62.4 | -179.8 | -163.3 | -9 | 0 | 0 | 0 | 113.3 | V64 E65 I69 K70 F71 | V64-N67 CarbonylContact O-C 3.21Å; V64-N67 PolarHBondContact O-N 2.84Å; E65-N67 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 2.85Å; N67-I69 VanDerWaalsContact C-N 3.3Å; N67-I69 PolarHBondContact O-N 3.2Å; N67-K70 HydrophobicContact CB-CB 4.42Å; N67-K70 WeakPolarHBondContact O-CB 3.33Å; N67-K70 PolarHBondContact O-N 3.44Å; N67-K70 WeakPolarHBondContact OD1-CB 3.24Å; N67-F71 HydrophobicContact CB-CE2 4.43Å; N67-F71 WeakPolarHBondContact O-CD2 3.5Å | ||
| 68 | P | 80.2 | Confident | 86.5 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.9 | -32.9 | -170.9 | 24.2 | -33.9 | 0 | 0 | 0 | 112.9 | V64 E65 K70 F71 H72 I78 | V64-P68 WeakPolarHBondContact O-CA 3.31Å; V64-P68 VanDerWaalsContact O-N 3.09Å; E65-P68 WeakPolarHBondContact O-CD 3.44Å; P68-K70 VanDerWaalsContact C-N 3.29Å; P68-K70 PolarHBondContact O-N 3.15Å; P68-F71 PolarHBondContact O-N 2.86Å; P68-F71 VanDerWaalsContact O-N 3.09Å; P68-H72 PolarHBondContact O-N 3.29Å; P68-H72 VanDerWaalsContact O-N 3.08Å; P68-I78 HydrophobicContact CB-CD1 4.02Å |
| 69 | I | 79.9 | Confident | 86.5 | Confident | 146 Ų | 146 | 78 Ų | 78 | 75% | 0.749 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | 179.6 | -58.1 | 174 | 0 | 0 | 0 | 110.6 | N67 F71 H72 | N67-I69 VanDerWaalsContact C-N 3.3Å; N67-I69 PolarHBondContact O-N 3.2Å; I69-F71 PolarHBondContact O-N 3.4Å; I69-H72 PolarHBondContact O-N 2.85Å |
| 70 | K | 82.2 | Confident | 86.7 | Confident | 142 Ų | 142 | 74.9 Ų | 74.9 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.1 | -31.6 | 178.8 | -177.9 | -178.6 | 176.6 | -173.5 | 0 | 112.5 | N67 P68 | N67-K70 HydrophobicContact CB-CB 4.42Å; N67-K70 WeakPolarHBondContact O-CB 3.33Å; N67-K70 PolarHBondContact O-N 3.44Å; N67-K70 WeakPolarHBondContact OD1-CB 3.24Å; P68-K70 VanDerWaalsContact C-N 3.29Å; P68-K70 PolarHBondContact O-N 3.15Å |
| 71 | F | 81.2 | Confident | 86.9 | Confident | 86 Ų | 86 | 71.9 Ų | 71.9 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -97.9 | -4.2 | -175.3 | -61 | -73.6 | 0 | 0 | 0 | 113.5 | V64 N67 P68 I69 L73 | V64-F71 HydrophobicContact CB-CD2 4.13Å; V64-F71 HydrophobicContact CB-CE2 4.47Å; V64-F71 HydrophobicContact CG1-CB 4.42Å; V64-F71 HydrophobicContact CG1-CD2 4.23Å; V64-F71 HydrophobicContact CG2-CD1 4.36Å; V64-F71 HydrophobicContact CG2-CD2 3.82Å; V64-F71 HydrophobicContact CG2-CE2 4.07Å; V64-F71 HydrophobicContact CG2-CG 3.98Å; V64-F71 HydrophobicContact CG2-CZ 4.44Å; N67-F71 HydrophobicContact CB-CE2 4.43Å; N67-F71 WeakPolarHBondContact O-CD2 3.5Å; P68-F71 PolarHBondContact O-N 2.86Å; P68-F71 VanDerWaalsContact O-N 3.09Å; I69-F71 PolarHBondContact O-N 3.4Å; F71-L73 HydrophobicContact CB-CD1 3.98Å; F71-L73 HydrophobicContact CB-CG 4.11Å; F71-L73 PolarHBondContact O-N 3.29Å |
| 72 | H | 81.8 | Confident | 87.1 | Confident | 173 Ų | 173 | 77.7 Ų | 77.7 | 80% | 0.801 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 36.7 | -176.9 | -50.9 | 114.1 | 0 | 0 | 0 | 113.4 | P68 I69 | P68-H72 PolarHBondContact O-N 3.29Å; P68-H72 VanDerWaalsContact O-N 3.08Å; I69-H72 PolarHBondContact O-N 2.85Å |
| 73 | L | 83.5 | Confident | 87.4 | Confident | 27 Ų | 27 | 80.8 Ų | 80.8 | 14% | 0.141 | 41% | 0.412 | C | S | . | . | trans | -104.1 | 135.8 | 179.3 | -66.1 | 173.7 | 0 | 0 | 0 | 110.1 | V64 F71 D77 I78 | V64-L73 HydrophobicContact CG1-CB 4.43Å; V64-L73 HydrophobicContact CG1-CD1 3.51Å; V64-L73 HydrophobicContact CG2-CD1 4.29Å; F71-L73 HydrophobicContact CB-CD1 3.98Å; F71-L73 HydrophobicContact CB-CG 4.11Å; F71-L73 PolarHBondContact O-N 3.29Å; L73-D77 HydrophobicContact CD2-CB 4.33Å; L73-I78 HydrophobicContact CB-CD1 4.5Å; L73-I78 HydrophobicContact CB-CG1 4.25Å | ||
| 74 | S | 86.2 | Confident | 87.9 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | trans | -79 | 157.8 | 174 | 71.7 | 0 | 0 | 0 | 0 | 111 | K76 D77 I78 | S74-K76 PolarHBondContact O-N 3.43Å; S74-K76 VanDerWaalsContact O-N 3.15Å; S74-D77 WeakPolarHBondContact CB-OD2 3.5Å; S74-D77 PolarHBondContact N-OD2 2.91Å; S74-D77 WeakPolarHBondContact O-CB 3.38Å; S74-D77 PolarHBondContact O-N 2.92Å; S74-D77 PolarHBondContact OG-N 2.74Å; S74-D77 PolarHBondContact OG-OD2 2.93Å; S74-I78 PolarHBondContact O-N 3.17Å | ||
| 75 | D | 87.3 | Confident | 88.2 | Confident | 132 Ų | 132 | 78.5 Ų | 78.5 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57 | -30.3 | 173.5 | -65.1 | -35.7 | 0 | 0 | 0 | 112 | S79 | D75-S79 VanDerWaalsContact O-CB 3.23Å; D75-S79 WeakPolarHBondContact O-CB 3.18Å; D75-S79 PolarHBondContact O-N 2.7Å |
| 76 | K | 88.4 | Confident | 88.5 | Confident | 164 Ų | 164 | 78.9 Ų | 78.9 | 71% | 0.713 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 174.2 | -176 | -178.3 | 177.5 | -177.5 | 0 | 111.6 | S74 S79 A80 | S74-K76 PolarHBondContact O-N 3.43Å; S74-K76 VanDerWaalsContact O-N 3.15Å; K76-S79 PolarHBondContact O-N 3.05Å; K76-A80 WeakPolarHBondContact O-CB 3.37Å; K76-A80 PolarHBondContact O-N 3Å |
| 77 | D | 89.9 | Confident | 89 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 177.4 | -58.2 | -49.5 | 0 | 0 | 0 | 109.9 | L73 S74 S79 A80 R81 | L73-D77 HydrophobicContact CD2-CB 4.33Å; S74-D77 WeakPolarHBondContact CB-OD2 3.5Å; S74-D77 PolarHBondContact N-OD2 2.91Å; S74-D77 WeakPolarHBondContact O-CB 3.38Å; S74-D77 PolarHBondContact O-N 2.92Å; S74-D77 PolarHBondContact OG-N 2.74Å; S74-D77 PolarHBondContact OG-OD2 2.93Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.37Å; D77-A80 PolarHBondContact O-N 3.5Å; D77-R81 VanDerWaalsContact O-CG 3.27Å; D77-R81 WeakPolarHBondContact O-CG 3.44Å; D77-R81 PolarHBondContact O-N 3.12Å |
| 78 | I | 91.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 177.6 | -65.4 | 169.7 | 0 | 0 | 0 | 110.5 | V64 E65 P68 L73 S74 A80 R81 R82 | V64-I78 HydrophobicContact CG1-CD1 4.02Å; V64-I78 HydrophobicContact CG1-CG1 4Å; E65-I78 HydrophobicContact CG-CG2 3.58Å; P68-I78 HydrophobicContact CB-CD1 4.02Å; L73-I78 HydrophobicContact CB-CD1 4.5Å; L73-I78 HydrophobicContact CB-CG1 4.25Å; S74-I78 PolarHBondContact O-N 3.17Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-A80 PolarHBondContact O-N 3.01Å; I78-R81 PolarHBondContact O-N 2.76Å; I78-R82 WeakPolarHBondContact O-CG 3.44Å; I78-R82 PolarHBondContact O-N 3.42Å |
| 79 | S | 92.1 | Very high | 90.2 | Very high | 71 Ų | 71 | 71.9 Ų | 71.9 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | D75 K76 D77 R82 Q83 | D75-S79 VanDerWaalsContact O-CB 3.23Å; D75-S79 WeakPolarHBondContact O-CB 3.18Å; D75-S79 PolarHBondContact O-N 2.7Å; K76-S79 PolarHBondContact O-N 3.05Å; D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 PolarHBondContact O-N 3.37Å; S79-R82 PolarHBondContact O-N 3.45Å; S79-Q83 WeakPolarHBondContact O-CB 3.27Å; S79-Q83 PolarHBondContact O-N 2.94Å |
| 80 | A | 93.7 | Very high | 90.8 | Very high | 18 Ų | 18 | 68.9 Ų | 68.9 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K76 D77 I78 Q83 F84 A120 | K76-A80 WeakPolarHBondContact O-CB 3.37Å; K76-A80 PolarHBondContact O-N 3Å; D77-A80 PolarHBondContact O-N 3.5Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-A80 PolarHBondContact O-N 3.01Å; A80-Q83 WeakPolarHBondContact O-CB 3.39Å; A80-Q83 PolarHBondContact O-N 3.48Å; A80-F84 PolarHBondContact O-N 3.44Å; A80-A120 HydrophobicContact CB-CB 3.87Å |
| 81 | R | 95.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 6% | 0.057 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.8 | -62.7 | 179 | -163.9 | -144.1 | -9.4 | 112 | D5 Y7 I61 D77 I78 Q83 F84 L85 | D5-R81 IonicContact OD1-NH1 3.15Å; D5-R81 IonicContact OD2-CZ 3.74Å; D5-R81 IonicContact OD2-NH1 3.63Å; D5-R81 PolarHBondContact OD2-NH1 3.45Å; D5-R81 IonicContact OD2-NH2 3.08Å; D5-R81 PolarHBondContact OD2-NH2 3.27Å; Y7-R81 HydrophobicContact CD1-CG 4.16Å; Y7-R81 HydrophobicContact CD2-CG 4.11Å; Y7-R81 HydrophobicContact CE1-CG 3.72Å; Y7-R81 HydrophobicContact CE2-CB 3.85Å; Y7-R81 HydrophobicContact CE2-CG 3.63Å; Y7-R81 HydrophobicContact CG-CG 4.36Å; Y7-R81 VanDerWaalsContact CZ-CG 3.45Å; I61-R81 HydrophobicContact CD1-CB 3.75Å; I61-R81 HydrophobicContact CG1-CB 4.07Å; D77-R81 VanDerWaalsContact O-CG 3.27Å; D77-R81 WeakPolarHBondContact O-CG 3.44Å; D77-R81 PolarHBondContact O-N 3.12Å; I78-R81 PolarHBondContact O-N 2.76Å; R81-Q83 VanDerWaalsContact C-N 3.33Å; R81-F84 PolarHBondContact O-N 3.34Å; R81-L85 WeakPolarHBondContact O-CB 3.37Å; R81-L85 PolarHBondContact O-N 3.24Å |
| 82 | R | 94.3 | Very high | 91.9 | Very high | 130 Ų | 130 | 58.7 Ų | 58.7 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 174 | -71.1 | -179.4 | 77.3 | 117.7 | -4.8 | 112.1 | I61 E65 I78 S79 L85 T86 | I61-R82 HydrophobicContact CG2-CG 4.01Å; E65-R82 VanDerWaalsContact CD-NH1 3.26Å; E65-R82 WeakPolarHBondContact OE1-CD 3.19Å; E65-R82 WeakPolarHBondContact OE1-CG 3.34Å; E65-R82 IonicContact OE1-CZ 3.08Å; E65-R82 IonicContact OE1-NE 2.73Å; E65-R82 IonicContact OE1-NH1 3.6Å; E65-R82 PolarHBondContact OE1-NH1 3.36Å; E65-R82 IonicContact OE2-NH1 3.61Å; E65-R82 PolarHBondContact OE2-NH1 3.03Å; E65-R82 VanDerWaalsContact OE2-NH1 3.08Å; I78-R82 WeakPolarHBondContact O-CG 3.44Å; I78-R82 PolarHBondContact O-N 3.42Å; S79-R82 PolarHBondContact O-N 3.45Å; R82-L85 PolarHBondContact O-N 3.31Å; R82-T86 WeakPolarHBondContact O-CB 3.46Å; R82-T86 PolarHBondContact O-N 3.23Å; R82-T86 PolarHBondContact O-OG1 3.25Å |
| 83 | Q | 94.7 | Very high | 92.3 | Very high | 89 Ų | 89 | 56.5 Ų | 56.5 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -52.4 | 176.9 | -179.2 | -179.3 | -2.9 | 0 | 0 | 110.3 | S79 A80 R81 L85 T86 E87 | S79-Q83 WeakPolarHBondContact O-CB 3.27Å; S79-Q83 PolarHBondContact O-N 2.94Å; A80-Q83 WeakPolarHBondContact O-CB 3.39Å; A80-Q83 PolarHBondContact O-N 3.48Å; R81-Q83 VanDerWaalsContact C-N 3.33Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 2.86Å; Q83-T86 PolarHBondContact O-N 3.45Å; Q83-T86 VanDerWaalsContact O-N 3.11Å; Q83-E87 HydrophobicContact CG-CG 4.34Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.31Å; Q83-E87 PolarHBondContact NE2-OE1 3.35Å; Q83-E87 WeakPolarHBondContact O-CG 3.44Å; Q83-E87 PolarHBondContact O-N 3.06Å |
| 84 | F | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53 | -50.1 | 175.7 | 172.4 | -99.4 | 0 | 0 | 0 | 111.7 | Y7 Q11 V14 L57 A80 R81 T86 E87 A88 I117 V119 | Y7-F84 WeakPolarHBondContact OH-CD1 3.42Å; Q11-F84 HydrophobicContact CB-CE1 4.35Å; Q11-F84 HydrophobicContact CB-CZ 4.4Å; Q11-F84 HydrophobicContact CG-CD1 4.25Å; Q11-F84 HydrophobicContact CG-CD2 4.21Å; Q11-F84 HydrophobicContact CG-CE1 3.91Å; Q11-F84 HydrophobicContact CG-CE2 3.85Å; Q11-F84 HydrophobicContact CG-CG 4.39Å; Q11-F84 HydrophobicContact CG-CZ 3.68Å; V14-F84 HydrophobicContact CB-CE1 4.34Å; V14-F84 HydrophobicContact CB-CZ 4.01Å; V14-F84 HydrophobicContact CG1-CE1 3.97Å; V14-F84 HydrophobicContact CG1-CZ 3.59Å; L57-F84 HydrophobicContact CD1-CE1 4.24Å; A80-F84 PolarHBondContact O-N 3.44Å; R81-F84 PolarHBondContact O-N 3.34Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 3.1Å; F84-E87 PolarHBondContact O-N 3.39Å; F84-A88 VanDerWaalsContact O-CB 3.24Å; F84-A88 WeakPolarHBondContact O-CB 3.23Å; F84-A88 PolarHBondContact O-N 2.9Å; F84-I117 HydrophobicContact CD2-CG2 3.58Å; F84-I117 HydrophobicContact CE2-CG2 3.74Å; F84-V119 HydrophobicContact CE2-CG2 4.49Å |
| 85 | L | 94.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 178.3 | 177.3 | 65.1 | 0 | 0 | 0 | 112.2 | L54 L57 Q58 I61 R81 R82 Q83 K89 | L54-L85 HydrophobicContact CB-CD1 4.05Å; L54-L85 HydrophobicContact CD2-CD1 3.79Å; L54-L85 HydrophobicContact CG-CD1 4.5Å; L54-L85 WeakPolarHBondContact O-CD1 3.31Å; L57-L85 HydrophobicContact CB-CD1 4.35Å; Q58-L85 HydrophobicContact CB-CD1 4.42Å; Q58-L85 HydrophobicContact CB-CD2 3.72Å; Q58-L85 HydrophobicContact CG-CD2 4Å; I61-L85 HydrophobicContact CD1-CB 4.3Å; I61-L85 HydrophobicContact CD1-CD2 4.08Å; R81-L85 WeakPolarHBondContact O-CB 3.37Å; R81-L85 PolarHBondContact O-N 3.24Å; R82-L85 PolarHBondContact O-N 3.31Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 2.86Å; L85-K89 HydrophobicContact CD1-CD 4.36Å; L85-K89 HydrophobicContact CD1-CG 4.5Å; L85-K89 HydrophobicContact CG-CD 4.4Å; L85-K89 WeakPolarHBondContact O-CB 3.39Å; L85-K89 WeakPolarHBondContact O-CG 3.36Å; L85-K89 PolarHBondContact O-N 2.9Å |
| 86 | T | 94.1 | Very high | 92.7 | Very high | 76 Ų | 76 | 53 Ų | 53 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.4 | -46.4 | -178.9 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | R82 Q83 F84 K89 N90 | R82-T86 WeakPolarHBondContact O-CB 3.46Å; R82-T86 PolarHBondContact O-N 3.23Å; R82-T86 PolarHBondContact O-OG1 3.25Å; Q83-T86 PolarHBondContact O-N 3.45Å; Q83-T86 VanDerWaalsContact O-N 3.11Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 3.1Å; T86-K89 PolarHBondContact O-N 3.47Å; T86-N90 VanDerWaalsContact O-CG 3.24Å; T86-N90 PolarHBondContact O-N 2.97Å; T86-N90 PolarHBondContact O-ND2 3.44Å |
| 87 | E | 95.7 | Very high | 92.5 | Very high | 39 Ų | 39 | 48.9 Ų | 48.9 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 178.2 | -69.9 | 179.9 | -174.1 | 0 | 0 | 111.1 | Q83 F84 K89 N90 V91 I117 H118 | Q83-E87 HydrophobicContact CG-CG 4.34Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.31Å; Q83-E87 PolarHBondContact NE2-OE1 3.35Å; Q83-E87 WeakPolarHBondContact O-CG 3.44Å; Q83-E87 PolarHBondContact O-N 3.06Å; F84-E87 PolarHBondContact O-N 3.39Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 2.89Å; E87-N90 WeakPolarHBondContact O-CB 3.08Å; E87-N90 PolarHBondContact O-N 3.26Å; E87-N90 VanDerWaalsContact O-N 3.09Å; E87-V91 WeakPolarHBondContact O-CG2 3.49Å; E87-V91 PolarHBondContact O-N 3.45Å; E87-I117 HydrophobicContact CB-CG1 4.38Å; E87-I117 HydrophobicContact CB-CG2 4.3Å; E87-I117 WeakPolarHBondContact OE2-CA 3.24Å; E87-H118 IonicContact OE1-CE1 3.04Å; E87-H118 IonicContact OE1-CG 3.73Å; E87-H118 IonicContact OE1-ND1 2.93Å; E87-H118 PolarHBondContact OE1-ND1 3.44Å; E87-H118 VanDerWaalsContact OE1-ND1 3.08Å; E87-H118 WeakPolarHBondContact OE2-CB 3.47Å; E87-H118 IonicContact OE2-CG 2.69Å; E87-H118 PolarHBondContact OE2-N 2.96Å; E87-H118 IonicContact OE2-ND1 2.85Å; E87-H118 PolarHBondContact OE2-ND1 2.98Å |
| 88 | A | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V14 L18 L54 F84 N90 V91 V92 I117 | V14-A88 HydrophobicContact CG1-CB 4.43Å; L18-A88 HydrophobicContact CD1-CB 4.07Å; L54-A88 HydrophobicContact CD1-CB 4.08Å; L54-A88 HydrophobicContact CD2-CB 3.61Å; F84-A88 VanDerWaalsContact O-CB 3.24Å; F84-A88 WeakPolarHBondContact O-CB 3.23Å; F84-A88 PolarHBondContact O-N 2.9Å; A88-N90 VanDerWaalsContact C-N 3.33Å; A88-N90 PolarHBondContact O-N 2.9Å; A88-V91 PolarHBondContact O-N 3.28Å; A88-V92 WeakPolarHBondContact O-CB 3.5Å; A88-V92 WeakPolarHBondContact O-CG2 3.36Å; A88-V92 PolarHBondContact O-N 3.43Å; A88-I117 HydrophobicContact CB-CD1 4.31Å |
| 89 | K | 94.6 | Very high | 91.7 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 32% | 0.317 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 174.1 | -79.4 | 179.8 | 174.3 | -169.1 | 0 | 113 | L54 L85 T86 E87 V92 K93 | L54-K89 HydrophobicContact CB-CG 4.46Å; L54-K89 HydrophobicContact CD1-CG 3.88Å; L85-K89 HydrophobicContact CD1-CD 4.36Å; L85-K89 HydrophobicContact CD1-CG 4.5Å; L85-K89 HydrophobicContact CG-CD 4.4Å; L85-K89 WeakPolarHBondContact O-CB 3.39Å; L85-K89 WeakPolarHBondContact O-CG 3.36Å; L85-K89 PolarHBondContact O-N 2.9Å; T86-K89 PolarHBondContact O-N 3.47Å; E87-K89 VanDerWaalsContact C-N 3.34Å; E87-K89 PolarHBondContact O-N 2.89Å; K89-V92 PolarHBondContact O-N 3.3Å; K89-K93 VanDerWaalsContact O-CB 3.29Å; K89-K93 WeakPolarHBondContact O-CB 3.43Å; K89-K93 PolarHBondContact O-N 3.48Å |
| 90 | N | 92 | Very high | 90.9 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 45% | 0.449 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.7 | -71.8 | -22 | 0 | 0 | 0 | 111.1 | T86 E87 A88 K93 N94 | T86-N90 VanDerWaalsContact O-CG 3.24Å; T86-N90 PolarHBondContact O-N 2.97Å; T86-N90 PolarHBondContact O-ND2 3.44Å; E87-N90 WeakPolarHBondContact O-CB 3.08Å; E87-N90 PolarHBondContact O-N 3.26Å; E87-N90 VanDerWaalsContact O-N 3.09Å; A88-N90 VanDerWaalsContact C-N 3.33Å; A88-N90 PolarHBondContact O-N 2.9Å; N90-K93 PolarHBondContact O-N 3.48Å; N90-N94 WeakPolarHBondContact O-CB 3.18Å; N90-N94 PolarHBondContact O-N 3.27Å; N90-N94 PolarHBondContact O-ND2 3.44Å; N90-N94 PolarHBondContact O-OD1 3.47Å |
| 91 | V | 94.7 | Very high | 89.7 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -48 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L18 E87 A88 K93 N94 A95 D114 F115 I117 | L18-V91 HydrophobicContact CD2-CB 4.33Å; L18-V91 HydrophobicContact CD2-CG1 3.81Å; E87-V91 WeakPolarHBondContact O-CG2 3.49Å; E87-V91 PolarHBondContact O-N 3.45Å; A88-V91 PolarHBondContact O-N 3.28Å; V91-K93 PolarHBondContact O-N 3Å; V91-N94 PolarHBondContact O-N 2.87Å; V91-A95 WeakPolarHBondContact O-CB 3.32Å; V91-A95 PolarHBondContact O-N 2.91Å; V91-D114 WeakPolarHBondContact CG2-O 3.4Å; V91-F115 HydrophobicContact CG1-CD1 3.37Å; V91-F115 HydrophobicContact CG1-CE1 3.69Å; V91-F115 HydrophobicContact CG1-CG 4.15Å; V91-I117 HydrophobicContact CB-CD1 4.12Å; V91-I117 HydrophobicContact CG1-CD1 4.43Å; V91-I117 HydrophobicContact CG2-CD1 3.76Å; V91-I117 HydrophobicContact CG2-CG1 3.76Å |
| 92 | V | 93.1 | Very high | 88 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 176.2 | 164.2 | 0 | 0 | 0 | 0 | 111.5 | L18 I47 I50 E51 L54 A88 K89 A95 K96 | L18-V92 HydrophobicContact CD2-CG2 4.08Å; I47-V92 HydrophobicContact CG2-CG1 4.05Å; I50-V92 HydrophobicContact CB-CG2 4.26Å; I50-V92 HydrophobicContact CG2-CG2 3.61Å; E51-V92 HydrophobicContact CG-CG1 3.44Å; E51-V92 VanDerWaalsContact CG-CG1 3.44Å; L54-V92 HydrophobicContact CD1-CG2 3.99Å; A88-V92 WeakPolarHBondContact O-CB 3.5Å; A88-V92 WeakPolarHBondContact O-CG2 3.36Å; A88-V92 PolarHBondContact O-N 3.43Å; K89-V92 PolarHBondContact O-N 3.3Å; V92-A95 PolarHBondContact O-N 2.9Å; V92-K96 HydrophobicContact CG1-CD 4.33Å; V92-K96 WeakPolarHBondContact O-CG 3.36Å; V92-K96 PolarHBondContact O-N 3.36Å |
| 93 | K | 88.8 | Confident | 86.3 | Confident | 127 Ų | 127 | 50.8 Ų | 50.8 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.2 | -46.3 | 178 | -178 | -179.4 | 178.2 | -177.8 | 0 | 111.7 | K89 N90 V91 A95 K96 N97 | K89-K93 VanDerWaalsContact O-CB 3.29Å; K89-K93 WeakPolarHBondContact O-CB 3.43Å; K89-K93 PolarHBondContact O-N 3.48Å; N90-K93 PolarHBondContact O-N 3.48Å; V91-K93 PolarHBondContact O-N 3Å; K93-A95 VanDerWaalsContact C-N 3.35Å; K93-K96 PolarHBondContact O-N 3.04Å; K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 PolarHBondContact O-ND2 3.47Å; K93-N97 PolarHBondContact O-OD1 2.88Å |
| 94 | N | 89.9 | Confident | 84.3 | Confident | 73 Ų | 73 | 53.2 Ų | 53.2 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 178.5 | -68.7 | -14.4 | 0 | 0 | 0 | 111 | N90 V91 K96 N97 C98 I113 | N90-N94 WeakPolarHBondContact O-CB 3.18Å; N90-N94 PolarHBondContact O-N 3.27Å; N90-N94 PolarHBondContact O-ND2 3.44Å; N90-N94 PolarHBondContact O-OD1 3.47Å; V91-N94 PolarHBondContact O-N 2.87Å; N94-K96 PolarHBondContact O-N 3.39Å; N94-N97 PolarHBondContact O-N 3.2Å; N94-C98 PolarHBondContact O-N 2.76Å; N94-C98 PolarHBondContact O-SG 3.44Å; N94-C98 VanDerWaalsContact O-SG 3.39Å; N94-I113 HydrophobicContact CB-CG2 4.13Å |
| 95 | A | 89.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V21 I47 V91 V92 K93 N97 C98 L99 I113 | V21-A95 HydrophobicContact CG1-CB 4.5Å; I47-A95 HydrophobicContact CD1-CB 3.72Å; V91-A95 WeakPolarHBondContact O-CB 3.32Å; V91-A95 PolarHBondContact O-N 2.91Å; V92-A95 PolarHBondContact O-N 2.9Å; K93-A95 VanDerWaalsContact C-N 3.35Å; A95-N97 PolarHBondContact O-N 2.85Å; A95-C98 PolarHBondContact O-N 2.74Å; A95-L99 WeakPolarHBondContact O-CD1 3.15Å; A95-L99 WeakPolarHBondContact O-CG 3.21Å; A95-L99 PolarHBondContact O-N 2.8Å; A95-I113 HydrophobicContact CB-CD1 4.06Å |
| 96 | K | 86.8 | Confident | 80.3 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 30% | 0.296 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 175.1 | -74 | 179.3 | 70.9 | 162.3 | 0 | 112.2 | I47 E51 V92 K93 N94 C98 L99 N100 | I47-K96 HydrophobicContact CG2-CD 3.8Å; I47-K96 HydrophobicContact CG2-CG 3.55Å; E51-K96 WeakPolarHBondContact OE1-CD 3.4Å; E51-K96 IonicContact OE1-NZ 3.92Å; E51-K96 PolarHBondContact OE1-NZ 3.43Å; E51-K96 IonicContact OE2-NZ 3.59Å; E51-K96 PolarHBondContact OE2-NZ 3.33Å; V92-K96 HydrophobicContact CG1-CD 4.33Å; V92-K96 WeakPolarHBondContact O-CG 3.36Å; V92-K96 PolarHBondContact O-N 3.36Å; K93-K96 PolarHBondContact O-N 3.04Å; N94-K96 PolarHBondContact O-N 3.39Å; K96-C98 VanDerWaalsContact C-N 3.34Å; K96-C98 PolarHBondContact O-N 3.3Å; K96-L99 PolarHBondContact O-N 2.92Å; K96-N100 WeakPolarHBondContact O-CB 3.37Å; K96-N100 PolarHBondContact O-N 3.43Å; K96-N100 PolarHBondContact O-OD1 3.35Å |
| 97 | N | 84.3 | Confident | 78.6 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | -179.3 | -68.1 | -15 | 0 | 0 | 0 | 112.2 | K93 N94 A95 N100 S101 | K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 PolarHBondContact O-ND2 3.47Å; K93-N97 PolarHBondContact O-OD1 2.88Å; N94-N97 PolarHBondContact O-N 3.2Å; A95-N97 PolarHBondContact O-N 2.85Å; N97-N100 PolarHBondContact O-N 3.33Å; N97-S101 WeakPolarHBondContact O-CB 3.48Å; N97-S101 PolarHBondContact O-N 3.26Å; N97-S101 PolarHBondContact O-OG 3.43Å |
| 98 | C | 82.3 | Confident | 76.7 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 14% | 0.142 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 176.4 | -69 | 0 | 0 | 0 | 0 | 112.2 | Y25 N94 A95 K96 S102 I113 | Y25-C98 HydrophobicContact CE2-CB 4.1Å; N94-C98 PolarHBondContact O-N 2.76Å; N94-C98 PolarHBondContact O-SG 3.44Å; N94-C98 VanDerWaalsContact O-SG 3.39Å; A95-C98 PolarHBondContact O-N 2.74Å; K96-C98 VanDerWaalsContact C-N 3.34Å; K96-C98 PolarHBondContact O-N 3.3Å; C98-S102 WeakPolarHBondContact O-CB 3.24Å; C98-S102 PolarHBondContact O-N 2.81Å; C98-I113 HydrophobicContact CB-CD1 3.94Å; C98-I113 HydrophobicContact CB-CG1 4.3Å |
| 99 | L | 80.8 | Confident | 75 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.1 | -35.7 | 179.2 | -64.8 | 165.2 | 0 | 0 | 0 | 112.5 | Y25 W28 L40 I43 I47 A95 K96 | Y25-L99 HydrophobicContact CD2-CD2 4.12Å; Y25-L99 HydrophobicContact CE2-CD2 4.28Å; W28-L99 HydrophobicContact CE3-CD2 4.3Å; W28-L99 HydrophobicContact CH2-CD2 4.16Å; W28-L99 HydrophobicContact CZ3-CD2 4.08Å; L40-L99 HydrophobicContact CD1-CD2 3.59Å; I43-L99 HydrophobicContact CB-CD1 4.48Å; I43-L99 HydrophobicContact CD1-CD2 4.33Å; I43-L99 HydrophobicContact CG2-CD1 3.45Å; I43-L99 VanDerWaalsContact CG2-CD1 3.45Å; I43-L99 HydrophobicContact CG2-CD2 4.14Å; I43-L99 HydrophobicContact CG2-CG 4.42Å; I47-L99 HydrophobicContact CD1-CD1 3.38Å; A95-L99 WeakPolarHBondContact O-CD1 3.15Å; A95-L99 WeakPolarHBondContact O-CG 3.21Å; A95-L99 PolarHBondContact O-N 2.8Å; K96-L99 PolarHBondContact O-N 2.92Å |
| 100 | N | 75.7 | Confident | 73.6 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 52% | 0.524 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -74.9 | -37.7 | 178.7 | -67.5 | -9.5 | 0 | 0 | 0 | 112.1 | K96 N97 S102 | K96-N100 WeakPolarHBondContact O-CB 3.37Å; K96-N100 PolarHBondContact O-N 3.43Å; K96-N100 PolarHBondContact O-OD1 3.35Å; N97-N100 PolarHBondContact O-N 3.33Å; N100-S102 PolarHBondContact O-N 2.69Å |
| 101 | S | 68.5 | Low | 72.5 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.2 | -27.8 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | N97 D103 N104 | N97-S101 WeakPolarHBondContact O-CB 3.48Å; N97-S101 PolarHBondContact O-N 3.26Å; N97-S101 PolarHBondContact O-OG 3.43Å; S101-D103 PolarHBondContact O-N 3.09Å; S101-N104 PolarHBondContact O-N 2.79Å |
| 102 | S | 60.2 | Low | 71.8 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 10% | 0.098 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -70.5 | -15.1 | -176.3 | -151.2 | 0 | 0 | 0 | 0 | 114.9 | W28 C98 N100 N104 G105 | W28-S102 VanDerWaalsContact CH2-CB 3.42Å; W28-S102 WeakPolarHBondContact CH2-OG 3.44Å; C98-S102 WeakPolarHBondContact O-CB 3.24Å; C98-S102 PolarHBondContact O-N 2.81Å; N100-S102 PolarHBondContact O-N 2.69Å; S102-N104 PolarHBondContact O-N 3.38Å; S102-N104 VanDerWaalsContact O-N 3.15Å; S102-G105 PolarHBondContact O-N 3.3Å |
| 103 | D | 58.3 | Low | 71.4 | Confident | 131 Ų | 131 | 74.2 Ų | 74.2 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -57 | -27.9 | 173.6 | -164.3 | 38.4 | 0 | 0 | 0 | 111.8 | S101 G105 | S101-D103 PolarHBondContact O-N 3.09Å; D103-G105 PolarHBondContact O-N 3.33Å; D103-G105 VanDerWaalsContact O-N 3.12Å |
| 104 | N | 51.9 | Low | 71.4 | Confident | 141 Ų | 141 | 73 Ų | 73 | 75% | 0.754 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -83.4 | 22.7 | -179.3 | -68.7 | -45.4 | 0 | 0 | 0 | 115.1 | S101 S102 S106 | S101-N104 PolarHBondContact O-N 2.79Å; S102-N104 PolarHBondContact O-N 3.38Å; S102-N104 VanDerWaalsContact O-N 3.15Å; N104-S106 PolarHBondContact O-N 3.39Å |
| 105 | G | 54.8 | Low | 71.5 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 71% | 0.711 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 74.4 | -3.3 | 170 | 0 | 0 | 0 | 0 | 0 | 116.1 | S102 D103 K107 | S102-G105 PolarHBondContact O-N 3.3Å; D103-G105 PolarHBondContact O-N 3.33Å; D103-G105 VanDerWaalsContact O-N 3.12Å; G105-K107 VanDerWaalsContact C-N 3.25Å; G105-K107 PolarHBondContact O-N 3.5Å; G105-K107 VanDerWaalsContact O-N 3.15Å |
| 106 | S | 54.5 | Low | 71.7 | Confident | 59 Ų | 59 | 74.1 Ų | 74.1 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | trans | -90.2 | 51.7 | 177.2 | -166.8 | 0 | 0 | 0 | 0 | 111.8 | N104 R108 | N104-S106 PolarHBondContact O-N 3.39Å; S106-R108 PolarHBondContact O-N 3.28Å | ||
| 107 | K | 57.8 | Low | 72.1 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 22% | 0.222 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -16.4 | -174.8 | -141.9 | -177.6 | -174.4 | -165.7 | 0 | 114.7 | W28 R31 N33 G105 | W28-K107 HydrophobicContact CZ2-CG 4.41Å; R31-K107 PolarHBondContact O-NZ 2.94Å; R31-K107 VanDerWaalsContact O-NZ 3.11Å; N33-K107 PolarHBondContact O-NZ 3.24Å; N33-K107 VanDerWaalsContact O-NZ 3.15Å; G105-K107 VanDerWaalsContact C-N 3.25Å; G105-K107 PolarHBondContact O-N 3.5Å; G105-K107 VanDerWaalsContact O-N 3.15Å |
| 108 | R | 56.5 | Low | 72.5 | Confident | 185 Ų | 185 | 73 Ų | 73 | 70% | 0.698 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -18.1 | -161.6 | -110.5 | 178.8 | 179.8 | 163.1 | 0.4 | 116.9 | S106 | S106-R108 PolarHBondContact O-N 3.28Š|
| 109 | N | 60 | Low | 73.1 | Confident | 134 Ų | 134 | 74.9 Ų | 74.9 | 72% | 0.717 | 42% | 0.422 | S | S | * | . | trans | -109.9 | -3.5 | -167 | -63.1 | -24 | 0 | 0 | 0 | 114.2 | ||||
| 110 | D | 65.7 | Low | 73.6 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -68.8 | 138.3 | 177.5 | -67.9 | -27.9 | 0 | 0 | 0 | 110.6 | R29 | R29-D110 PolarHBondContact NH2-O 2.97Š|
| 111 | P | 69 | Low | 74.3 | Confident | 92 Ų | 92 | 74.6 Ų | 74.6 | 60% | 0.597 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 149.9 | 178.9 | 24.3 | -32.4 | 0 | 0 | 0 | 110.8 | I113 | P111-I113 PolarHBondContact O-N 3.29Š|
| 112 | P | 79.6 | Confident | 75.1 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 137.4 | 172.9 | -16.1 | 27.5 | 0 | 0 | 0 | 110.5 | ||
| 113 | I | 85.1 | Confident | 75.7 | Confident | 16 Ų | 16 | 81.1 Ų | 81.1 | 8% | 0.082 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 130.8 | 172.7 | -60.8 | 159.6 | 0 | 0 | 0 | 108.3 | Y25 N94 A95 C98 P111 F115 | Y25-I113 HydrophobicContact CD1-CD1 3.96Å; Y25-I113 HydrophobicContact CD2-CD1 3.88Å; Y25-I113 HydrophobicContact CE1-CD1 3.61Å; Y25-I113 HydrophobicContact CE1-CG1 4.12Å; Y25-I113 HydrophobicContact CE2-CD1 3.52Å; Y25-I113 HydrophobicContact CG-CD1 4.09Å; N94-I113 HydrophobicContact CB-CG2 4.13Å; A95-I113 HydrophobicContact CB-CD1 4.06Å; C98-I113 HydrophobicContact CB-CD1 3.94Å; C98-I113 HydrophobicContact CB-CG1 4.3Å; P111-I113 PolarHBondContact O-N 3.29Å; I113-F115 HydrophobicContact CB-CD2 4.1Å; I113-F115 HydrophobicContact CB-CE2 3.62Å; I113-F115 HydrophobicContact CB-CZ 4.24Å; I113-F115 HydrophobicContact CD1-CE2 4.28Å; I113-F115 HydrophobicContact CD1-CZ 4.27Å; I113-F115 HydrophobicContact CG2-CD2 3.96Å; I113-F115 HydrophobicContact CG2-CE2 3.68Å; I113-F115 HydrophobicContact CG2-CZ 3.98Å; I113-F115 WeakPolarHBondContact O-CD2 3.45Å; I113-F115 PolarHBondContact O-N 3.45Å |
| 114 | D | 88.9 | Confident | 75.3 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 117.4 | 168.2 | -175.9 | 19.6 | 0 | 0 | 0 | 110 | V91 T116 | V91-D114 WeakPolarHBondContact CG2-O 3.4Å; D114-T116 WeakPolarHBondContact OD1-CB 3.14Å; D114-T116 PolarHBondContact OD1-N 3.07Å; D114-T116 PolarHBondContact OD1-OG1 3.17Å |
| 115 | F | 92.7 | Very high | 75.2 | Confident | 13 Ų | 13 | 79 Ų | 79 | 6% | 0.057 | 46% | 0.456 | C | S | . | . | trans | -101.3 | 18.6 | 176.4 | -76 | -89.4 | 0 | 0 | 0 | 111.9 | V21 K22 Y25 V91 I113 I117 | V21-F115 HydrophobicContact CB-CE1 4.4Å; V21-F115 HydrophobicContact CG1-CE1 3.88Å; V21-F115 HydrophobicContact CG1-CZ 4.12Å; K22-F115 HydrophobicContact CB-CB 4.47Å; K22-F115 HydrophobicContact CB-CD1 3.79Å; K22-F115 HydrophobicContact CB-CD2 3.98Å; K22-F115 HydrophobicContact CB-CE1 3.94Å; K22-F115 HydrophobicContact CB-CE2 4.09Å; K22-F115 HydrophobicContact CB-CG 3.83Å; K22-F115 HydrophobicContact CB-CZ 4.09Å; K22-F115 HydrophobicContact CD-CB 3.92Å; K22-F115 HydrophobicContact CD-CD2 4.23Å; K22-F115 HydrophobicContact CD-CG 4.08Å; K22-F115 HydrophobicContact CG-CB 4.32Å; K22-F115 HydrophobicContact CG-CD1 4.39Å; K22-F115 HydrophobicContact CG-CD2 3.74Å; K22-F115 HydrophobicContact CG-CE2 4.09Å; K22-F115 HydrophobicContact CG-CG 3.91Å; Y25-F115 HydrophobicContact CD1-CE2 4.42Å; V91-F115 HydrophobicContact CG1-CD1 3.37Å; V91-F115 HydrophobicContact CG1-CE1 3.69Å; V91-F115 HydrophobicContact CG1-CG 4.15Å; I113-F115 HydrophobicContact CB-CD2 4.1Å; I113-F115 HydrophobicContact CB-CE2 3.62Å; I113-F115 HydrophobicContact CB-CZ 4.24Å; I113-F115 HydrophobicContact CD1-CE2 4.28Å; I113-F115 HydrophobicContact CD1-CZ 4.27Å; I113-F115 HydrophobicContact CG2-CD2 3.96Å; I113-F115 HydrophobicContact CG2-CE2 3.68Å; I113-F115 HydrophobicContact CG2-CZ 3.98Å; I113-F115 WeakPolarHBondContact O-CD2 3.45Å; I113-F115 PolarHBondContact O-N 3.45Å; F115-I117 PolarHBondContact O-N 2.95Å | ||
| 116 | T | 92.6 | Very high | 74.2 | Confident | 85 Ų | 85 | 81 Ų | 81 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | trans | -71.6 | 120.3 | 179.3 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | D114 | D114-T116 WeakPolarHBondContact OD1-CB 3.14Å; D114-T116 PolarHBondContact OD1-N 3.07Å; D114-T116 PolarHBondContact OD1-OG1 3.17Å | ||
| 117 | I | 94.3 | Very high | 73.8 | Confident | 19 Ų | 19 | 83.8 Ų | 83.8 | 10% | 0.097 | 48% | 0.476 | C | S | . | . | trans | -139.2 | 134.3 | -179.7 | -62.7 | 169.6 | 0 | 0 | 0 | 109.4 | L18 F84 E87 A88 V91 F115 | L18-I117 HydrophobicContact CB-CD1 4.48Å; L18-I117 HydrophobicContact CD1-CD1 3.35Å; L18-I117 HydrophobicContact CD2-CD1 4.2Å; L18-I117 HydrophobicContact CG-CD1 4.22Å; F84-I117 HydrophobicContact CD2-CG2 3.58Å; F84-I117 HydrophobicContact CE2-CG2 3.74Å; E87-I117 HydrophobicContact CB-CG1 4.38Å; E87-I117 HydrophobicContact CB-CG2 4.3Å; E87-I117 WeakPolarHBondContact OE2-CA 3.24Å; A88-I117 HydrophobicContact CB-CD1 4.31Å; V91-I117 HydrophobicContact CB-CD1 4.12Å; V91-I117 HydrophobicContact CG1-CD1 4.43Å; V91-I117 HydrophobicContact CG2-CD1 3.76Å; V91-I117 HydrophobicContact CG2-CG1 3.76Å; F115-I117 PolarHBondContact O-N 2.95Å | ||
| 118 | H | 94.7 | Very high | 73.1 | Confident | 104 Ų | 104 | 87.1 Ų | 87.1 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | trans | -92.7 | 110 | 175.9 | -60 | 85.2 | 0 | 0 | 0 | 109.9 | E87 | E87-H118 IonicContact OE1-CE1 3.04Å; E87-H118 IonicContact OE1-CG 3.73Å; E87-H118 IonicContact OE1-ND1 2.93Å; E87-H118 PolarHBondContact OE1-ND1 3.44Å; E87-H118 VanDerWaalsContact OE1-ND1 3.08Å; E87-H118 WeakPolarHBondContact OE2-CB 3.47Å; E87-H118 IonicContact OE2-CG 2.69Å; E87-H118 PolarHBondContact OE2-N 2.96Å; E87-H118 IonicContact OE2-ND1 2.85Å; E87-H118 PolarHBondContact OE2-ND1 2.98Å | ||
| 119 | V | 94.7 | Very high | 72.2 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 133.8 | 175.2 | 178 | 0 | 0 | 0 | 0 | 108.7 | Q11 F15 F84 | Q11-V119 VanDerWaalsContact CD-CG1 3.4Å; Q11-V119 HydrophobicContact CG-CG1 4Å; F15-V119 HydrophobicContact CD2-CG2 3.54Å; F15-V119 HydrophobicContact CE2-CG2 3.81Å; F15-V119 HydrophobicContact CG-CG2 4.1Å; F84-V119 HydrophobicContact CE2-CG2 4.49Å |
| 120 | A | 90.9 | Very high | 71.2 | Confident | 10 Ų | 10 | 82.5 Ų | 82.5 | 8% | 0.083 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 133.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y7 Q11 A80 | Y7-A120 HydrophobicContact CE1-CB 4.02Å; Q11-A120 PolarHBondContact NE2-O 3.34Å; A80-A120 HydrophobicContact CB-CB 3.87Å |
| 121 | P | 89.4 | Confident | 69.8 | Low | 85 Ų | 85 | 86.2 Ų | 86.2 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -69 | 138.8 | -174.8 | 27.7 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 122 | R | 86.5 | Confident | 68.2 | Low | 134 Ų | 134 | 88.3 Ų | 88.3 | 51% | 0.506 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 137.9 | 171.3 | -166.1 | 176.2 | -75.7 | -98.9 | 6.2 | 108.9 | F8 S124 | F8-R122 HydrophobicContact CD2-CG 4.47Å; F8-R122 HydrophobicContact CE1-CB 4.24Å; F8-R122 HydrophobicContact CE2-CG 4.19Å; F8-R122 HydrophobicContact CZ-CB 4.28Å; F8-R122 HydrophobicContact CZ-CG 4.23Å; R122-S124 PolarHBondContact O-N 3.32Å |
| 123 | P | 71.6 | Confident | 65.9 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 54% | 0.539 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 126.5 | 174.2 | 18.1 | -29.4 | 0 | 0 | 0 | 109.6 | S125 | P123-S125 VanDerWaalsContact C-N 3.26Å; P123-S125 PolarHBondContact O-N 3.28Å |
| 124 | S | 51.3 | Low | 63.6 | Low | 130 Ų | 130 | 96 Ų | 96 | 91% | 0.909 | 58% | 0.583 | S | S | * | * | trans | -74 | 80 | -180 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | R122 | R122-S124 PolarHBondContact O-N 3.32Š| ||
| 125 | S | 48.7 | Very low | 61 | Low | 97 Ų | 97 | 94.5 Ų | 94.5 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | trans | -107.3 | 112.6 | 159.8 | 58 | 0 | 0 | 0 | 0 | 108.5 | P123 | P123-S125 VanDerWaalsContact C-N 3.26Å; P123-S125 PolarHBondContact O-N 3.28Å | ||
| 126 | S | 34.5 | Very low | 58.2 | Low | 111 Ų | 111 | 101.4 Ų | 101.4 | 78% | 0.776 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -8.4 | 159.3 | 159.7 | 51 | 0 | 0 | 0 | 0 | 120.1 | ||
| 127 | P | 45 | Very low | 55.3 | Low | 118 Ų | 118 | 105.3 Ų | 105.3 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | S | Bend | -76.7 | 171.3 | -115.5 | 43.6 | -34.7 | 0 | 0 | 0 | 115 | S129 | P127-S129 PolarHBondContact O-N 3.15Š| |
| 128 | P | 43.8 | Very low | 52.4 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -79.5 | 123.9 | -152.3 | 31.9 | -30.6 | 0 | 0 | 0 | 111.8 | S130 | P128-S130 PolarHBondContact O-N 3.24Š| ||
| 129 | S | 38.3 | Very low | 49.5 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | trans | -64 | 107.6 | 154.9 | -76.5 | 0 | 0 | 0 | 0 | 107.4 | P127 V131 | P127-S129 PolarHBondContact O-N 3.15Å; S129-V131 VanDerWaalsContact C-N 3.34Å; S129-V131 PolarHBondContact O-N 2.96Å | ||
| 130 | S | 37.4 | Very low | 46.7 | Very low | 109 Ų | 109 | 117.6 Ų | 117.6 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | trans | -48.1 | 94.8 | 168.3 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | P128 | P128-S130 PolarHBondContact O-N 3.24Š| ||
| 131 | V | 37.7 | Very low | 44 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | -99.2 | 100 | 154.7 | -176.8 | 0 | 0 | 0 | 0 | 105 | S129 C133 | S129-V131 VanDerWaalsContact C-N 3.34Å; S129-V131 PolarHBondContact O-N 2.96Å; V131-C133 VanDerWaalsContact C-N 3.32Å; V131-C133 PolarHBondContact O-N 2.88Å | ||
| 132 | L | 33.9 | Very low | 41.5 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | trans | -49.9 | 97.8 | 163.5 | -72.6 | 158.9 | 0 | 0 | 0 | 108.2 | N134 | L132-N134 PolarHBondContact O-N 3.06Š| ||
| 133 | C | 31.9 | Very low | 38.9 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | -73.7 | 71.9 | 154.6 | 24.5 | 0 | 0 | 0 | 0 | 107 | V131 G135 | V131-C133 VanDerWaalsContact C-N 3.32Å; V131-C133 PolarHBondContact O-N 2.88Å; C133-G135 PolarHBondContact O-N 3.11Å | ||
| 134 | N | 36.5 | Very low | 37.1 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -64.8 | 128.7 | 163.4 | -77.7 | 0.1 | 0 | 0 | 0 | 107.8 | L132 | L132-N134 PolarHBondContact O-N 3.06Š| ||
| 135 | G | 33.8 | Very low | 36.4 | Very low | 69 Ų | 69 | 128.5 Ų | 128.5 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 158.5 | 65.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | C133 | C133-G135 PolarHBondContact O-N 3.11Š| ||
| 136 | D | 34 | Very low | 35.7 | Very low | 159 Ų | 159 | 133 Ų | 133 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -39.6 | 139.4 | 163.8 | -77.1 | -65.8 | 0 | 0 | 0 | 112.1 | K138 | D136-K138 PolarHBondContact O-N 2.87Š| ||
| 137 | L | 32.8 | Very low | 35.5 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -45.8 | 101.8 | 171.5 | -79.6 | 109.9 | 0 | 0 | 0 | 110.9 | ||||
| 138 | K | 33.9 | Very low | 35.1 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -104.1 | 94.9 | 153.9 | -147.1 | 176 | -175.2 | -175.1 | 0 | 107.8 | D136 N140 | D136-K138 PolarHBondContact O-N 2.87Å; K138-N140 PolarHBondContact O-N 3.36Å | ||
| 139 | V | 32.5 | Very low | 34.7 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -49 | 106.2 | 161.5 | 173.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 140 | N | 35.4 | Very low | 34.7 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -124.7 | 98.2 | 169 | -165.6 | 27.9 | 0 | 0 | 0 | 108.4 | K138 Q142 | K138-N140 PolarHBondContact O-N 3.36Å; N140-Q142 PolarHBondContact O-N 2.79Å | ||
| 141 | N | 35.9 | Very low | 34.8 | Very low | 134 Ų | 134 | 138 Ų | 138 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -66.1 | 107.8 | 160.9 | -68.9 | -17.7 | 0 | 0 | 0 | 107.2 | ||||
| 142 | Q | 35.2 | Very low | 34.7 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -178.6 | 104.6 | 149.6 | -98.5 | 150.5 | 53.4 | 0 | 0 | 111.5 | N140 | N140-Q142 PolarHBondContact O-N 2.79Š| ||
| 143 | T | 33.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | 41.7 | 109.3 | 123.7 | -15.3 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 144 | T | 33.1 | Very low | 34.5 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | trans | 50.7 | 117.9 | 139.2 | 62.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 145 | N | 37.6 | Very low | 34.8 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | 173.2 | 114.8 | 113.4 | -82.2 | -31.5 | 0 | 0 | 0 | 113.2 | |||||
| 146 | K | 33.6 | Very low | 34.7 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | 30 | 107.4 | 139.5 | -71 | 176.8 | 176 | 175.7 | 0 | 119.6 | ||||
| 147 | T | 29.6 | Very low | 34.9 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | 22.2 | 101.4 | 119.2 | -32.3 | 0 | 0 | 0 | 0 | 118 | |||||
| 148 | Q | 37.1 | Very low | 34.9 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -148.1 | 76.3 | 152.7 | -156.9 | 161.2 | 1.1 | 0 | 0 | 110.6 | S150 | Q148-S150 PolarHBondContact O-N 3.35Š| ||
| 149 | S | 35.9 | Very low | 35 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -75.2 | 102.9 | 169 | -178.3 | 0 | 0 | 0 | 0 | 109 | I151 | S149-I151 PolarHBondContact O-N 3.36Š| ||
| 150 | S | 38 | Very low | 35.1 | Very low | 104 Ų | 104 | 148.5 Ų | 148.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -78.5 | 99.9 | 173.8 | -70.1 | 0 | 0 | 0 | 0 | 110 | Q148 R152 | Q148-S150 PolarHBondContact O-N 3.35Å; S150-R152 PolarHBondContact O-N 3.43Å | ||
| 151 | I | 38.9 | Very low | 35.1 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -79.6 | 102.8 | 167.4 | -61.3 | 173.8 | 0 | 0 | 0 | 107.5 | S149 T153 | S149-I151 PolarHBondContact O-N 3.36Å; I151-T153 PolarHBondContact O-N 3.42Å | ||
| 152 | R | 35.1 | Very low | 35.6 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -88.5 | 102.3 | 175.2 | -152.7 | 174.8 | 172.6 | -164.8 | -2.6 | 108.4 | S150 N154 | S150-R152 PolarHBondContact O-N 3.43Å; R152-N154 PolarHBondContact O-N 3.46Å | ||
| 153 | T | 31.4 | Very low | 35.4 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -70.3 | 112 | 177.9 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | I151 | I151-T153 PolarHBondContact O-N 3.42Š| ||
| 154 | N | 31.7 | Very low | 35.5 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -108 | 104.4 | 162.8 | -98.6 | 4.7 | 0 | 0 | 0 | 108.2 | R152 | R152-N154 PolarHBondContact O-N 3.46Š| ||
| 155 | S | 41.8 | Very low | 35.7 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -132.3 | 98 | 164.2 | 65.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | H | 32.4 | Very low | 35.6 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | trans | -102.4 | 84.2 | 172.3 | -143.8 | -59.2 | 0 | 0 | 0 | 106.7 | K158 | H156-K158 PolarHBondContact O-N 2.87Š| ||
| 157 | I | 37.2 | Very low | 36 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 67% | 0.667 | 80% | 0.797 | S | S | * | * | trans | -84 | 107 | 178.5 | -62.8 | 175.4 | 0 | 0 | 0 | 108.3 | K159 | I157-K159 HydrophobicContact CG2-CG 4.07Š| ||
| 158 | K | 32.8 | Very low | 36.7 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -71 | 117.8 | 160.6 | -82.9 | 179.5 | 174.7 | -177.4 | 0 | 108.5 | H156 | H156-K158 PolarHBondContact O-N 2.87Š| ||
| 159 | K | 37.5 | Very low | 37.3 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -106.3 | 115.2 | 165.7 | -81.4 | 179.4 | 178.9 | -179.6 | 0 | 109 | I157 | I157-K159 HydrophobicContact CG2-CG 4.07Š| ||
| 160 | S | 34.5 | Very low | 38 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -90.3 | 129.1 | 166.5 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 161 | S | 34.6 | Very low | 38.7 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -72.6 | -175.8 | 161.9 | -32.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 162 | P | 46.8 | Very low | 39.9 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | cis | -139.2 | 166.2 | -10.3 | 32 | -10.2 | 0 | 0 | 0 | 116.4 | ||||
| 163 | S | 30.6 | Very low | 41.4 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 61.3 | 115.2 | 140.6 | 62.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 164 | S | 36.5 | Very low | 43.3 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | -177.8 | 143.5 | 99.3 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 165 | N | 36.8 | Very low | 45.3 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 84.8 | 75.9 | 161.5 | -51.4 | -17.8 | 0 | 0 | 0 | 117.7 | ||||
| 166 | M | 35.1 | Very low | 46.5 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -86.9 | 100.3 | 170.1 | -176.1 | 137 | 106.8 | 0 | 0 | 110.6 | ||||
| 167 | Y | 41.7 | Very low | 48.1 | Very low | 219 Ų | 219 | 135.8 Ų | 135.8 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | -76.2 | 116.9 | 156.5 | -92.9 | -92.2 | 0 | 0 | 0 | 107.7 | I169 | Y167-I169 PolarHBondContact O-N 3.21Å; Y167-I169 VanDerWaalsContact O-N 3.14Å | ||
| 168 | S | 45.4 | Very low | 49.7 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -69.5 | 101.8 | -178.6 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 169 | I | 49.6 | Very low | 51.7 | Low | 141 Ų | 141 | 132 Ų | 132 | 72% | 0.723 | 71% | 0.706 | S | S | * | * | trans | -72.8 | 129.3 | 163.9 | -59.1 | -63.5 | 0 | 0 | 0 | 107.8 | Y167 Y171 | Y167-I169 PolarHBondContact O-N 3.21Å; Y167-I169 VanDerWaalsContact O-N 3.14Å; I169-Y171 PolarHBondContact O-N 2.91Å; I169-Y171 VanDerWaalsContact O-N 3.11Å | ||
| 170 | P | 50 | Low | 53.5 | Low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -54.8 | 117 | 171.8 | -25.9 | 35.6 | 0 | 0 | 0 | 110.6 | D172 | P170-D172 PolarHBondContact O-N 3.23Š| ||
| 171 | Y | 52 | Low | 55.5 | Low | 216 Ų | 216 | 127 Ų | 127 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | trans | -72.1 | 111.2 | 177.7 | 42.9 | -85.4 | 0 | 0 | 0 | 108.5 | I169 P173 | I169-Y171 PolarHBondContact O-N 2.91Å; I169-Y171 VanDerWaalsContact O-N 3.11Å; Y171-P173 WeakPolarHBondContact O-CD 3.44Å | ||
| 172 | D | 65.2 | Low | 57.5 | Low | 100 Ų | 100 | 129.6 Ų | 129.6 | 54% | 0.535 | 67% | 0.672 | S | S | . | * | trans | -100.1 | 105.6 | 172.6 | -155.1 | -12.1 | 0 | 0 | 0 | 107.6 | P170 L174 T175 | P170-D172 PolarHBondContact O-N 3.23Å; D172-L174 PolarHBondContact O-N 3.47Å; D172-T175 PolarHBondContact O-N 2.85Å | ||
| 173 | P | 66.2 | Low | 58.8 | Low | 99 Ų | 99 | 128.8 Ų | 128.8 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -58.6 | -21.2 | -175.9 | 23.6 | -33.5 | 0 | 0 | 0 | 112.5 | Y171 T175 Q177 | Y171-P173 WeakPolarHBondContact O-CD 3.44Å; P173-T175 VanDerWaalsContact C-N 3.29Å; P173-T175 PolarHBondContact O-N 2.99Å; P173-Q177 PolarHBondContact O-N 2.89Å |
| 174 | L | 69.9 | Low | 60.9 | Low | 91 Ų | 91 | 129 Ų | 129 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65.6 | -30.3 | 175.4 | -163.4 | 73 | 0 | 0 | 0 | 112.8 | D172 Q177 K178 | D172-L174 PolarHBondContact O-N 3.47Å; L174-Q177 PolarHBondContact O-N 3.02Å; L174-K178 WeakPolarHBondContact O-CG 3.36Å; L174-K178 PolarHBondContact O-N 3.05Å |
| 175 | T | 74.1 | Confident | 63.1 | Low | 87 Ų | 87 | 128.3 Ų | 128.3 | 53% | 0.534 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.9 | -43.1 | -177.9 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | D172 P173 Q177 K178 Q179 | D172-T175 PolarHBondContact O-N 2.85Å; P173-T175 VanDerWaalsContact C-N 3.29Å; P173-T175 PolarHBondContact O-N 2.99Å; T175-Q177 VanDerWaalsContact C-N 3.32Å; T175-Q177 PolarHBondContact O-N 2.95Å; T175-K178 PolarHBondContact O-N 2.89Å; T175-Q179 PolarHBondContact O-N 3.39Å |
| 176 | E | 67.9 | Low | 65.1 | Low | 148 Ų | 148 | 125.3 Ų | 125.3 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.9 | -43.5 | 172.6 | -78.3 | -103.4 | 125.2 | 0 | 0 | 110.9 | K178 Q179 L180 | E176-K178 PolarHBondContact O-N 2.93Å; E176-Q179 PolarHBondContact O-N 2.85Å; E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 PolarHBondContact O-N 2.91Å |
| 177 | Q | 64.7 | Low | 66.9 | Low | 128 Ų | 128 | 124 Ų | 124 | 60% | 0.598 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.2 | -38.2 | 178.8 | -166.5 | -179.7 | -12.5 | 0 | 0 | 112.2 | P173 L174 T175 L180 L181 | P173-Q177 PolarHBondContact O-N 2.89Å; L174-Q177 PolarHBondContact O-N 3.02Å; T175-Q177 VanDerWaalsContact C-N 3.32Å; T175-Q177 PolarHBondContact O-N 2.95Å; Q177-L180 PolarHBondContact O-N 3.36Å; Q177-L181 WeakPolarHBondContact O-CB 3.32Å; Q177-L181 PolarHBondContact O-N 2.93Å |
| 178 | K | 71 | Confident | 68.8 | Low | 137 Ų | 137 | 118.6 Ų | 118.6 | 60% | 0.596 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.3 | -40.3 | 174.1 | -78.2 | 178.8 | -179.1 | 178.8 | 0 | 112.1 | L174 T175 E176 L181 Y182 | L174-K178 WeakPolarHBondContact O-CG 3.36Å; L174-K178 PolarHBondContact O-N 3.05Å; T175-K178 PolarHBondContact O-N 2.89Å; E176-K178 PolarHBondContact O-N 2.93Å; K178-L181 PolarHBondContact O-N 3.29Å; K178-Y182 WeakPolarHBondContact O-CB 3.21Å; K178-Y182 PolarHBondContact O-N 2.87Å |
| 179 | Q | 74.8 | Confident | 70.5 | Confident | 112 Ų | 112 | 118.4 Ų | 118.4 | 52% | 0.523 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.4 | -41.5 | 176.5 | -173.6 | 177.6 | -35.8 | 0 | 0 | 111.2 | T175 E176 L181 Y182 E183 | T175-Q179 PolarHBondContact O-N 3.39Å; E176-Q179 PolarHBondContact O-N 2.85Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3.47Å; Q179-Y182 PolarHBondContact O-N 2.72Å; Q179-E183 PolarHBondContact O-N 2.69Å |
| 180 | L | 76.1 | Confident | 71.5 | Confident | 100 Ų | 100 | 117.5 Ų | 117.5 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -36.3 | 176.9 | -163.6 | 135.9 | 0 | 0 | 0 | 112 | E176 Q177 E183 Q184 | E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 PolarHBondContact O-N 2.91Å; Q177-L180 PolarHBondContact O-N 3.36Å; L180-E183 PolarHBondContact O-N 3.46Å; L180-Q184 WeakPolarHBondContact O-CG 3.45Å; L180-Q184 PolarHBondContact O-N 3.14Å |
| 181 | L | 75.6 | Confident | 72.7 | Confident | 107 Ų | 107 | 116.8 Ų | 116.8 | 56% | 0.56 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.5 | -41.9 | 173.1 | -158.4 | 153.1 | 0 | 0 | 0 | 111.1 | Q177 K178 Q179 Q184 D185 | Q177-L181 WeakPolarHBondContact O-CB 3.32Å; Q177-L181 PolarHBondContact O-N 2.93Å; K178-L181 PolarHBondContact O-N 3.29Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3.47Å; L181-Q184 PolarHBondContact O-N 2.86Å; L181-D185 WeakPolarHBondContact O-CB 3.28Å; L181-D185 PolarHBondContact O-N 2.83Å |
| 182 | Y | 76.8 | Confident | 74.1 | Confident | 166 Ų | 166 | 108.3 Ų | 108.3 | 65% | 0.651 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 175.8 | -152.3 | -80.7 | 0 | 0 | 0 | 112.2 | K178 Q179 N186 | K178-Y182 WeakPolarHBondContact O-CB 3.21Å; K178-Y182 PolarHBondContact O-N 2.87Å; Q179-Y182 PolarHBondContact O-N 2.72Å; Y182-N186 PolarHBondContact O-N 3.12Å; Y182-N186 VanDerWaalsContact O-N 3.11Å |
| 183 | E | 74.9 | Confident | 74.5 | Confident | 93 Ų | 93 | 107.5 Ų | 107.5 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 174 | -78.2 | -170.9 | -166 | 0 | 0 | 112.5 | Q179 L180 R187 | Q179-E183 PolarHBondContact O-N 2.69Å; L180-E183 PolarHBondContact O-N 3.46Å; E183-R187 WeakPolarHBondContact O-CG 3.19Å; E183-R187 PolarHBondContact O-N 3.07Å; E183-R187 VanDerWaalsContact O-N 3.11Å |
| 184 | Q | 75.5 | Confident | 74.8 | Confident | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 175.5 | -76.9 | -178.5 | -7.4 | 0 | 0 | 112 | L180 L181 R187 L188 | L180-Q184 WeakPolarHBondContact O-CG 3.45Å; L180-Q184 PolarHBondContact O-N 3.14Å; L181-Q184 PolarHBondContact O-N 2.86Å; Q184-R187 CarbonylContact O-C 3.48Å; Q184-R187 WeakPolarHBondContact O-CB 3.48Å; Q184-R187 PolarHBondContact O-N 3.15Å; Q184-R187 VanDerWaalsContact O-N 3.1Å; Q184-L188 WeakPolarHBondContact O-CG 3.39Å; Q184-L188 PolarHBondContact O-N 3.37Å |
| 185 | D | 82.1 | Confident | 74.9 | Confident | 89 Ų | 89 | 107.6 Ų | 107.6 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 177.8 | -153.5 | 47 | 0 | 0 | 0 | 110.9 | L181 R187 L188 D189 | L181-D185 WeakPolarHBondContact O-CB 3.28Å; L181-D185 PolarHBondContact O-N 2.83Å; D185-R187 VanDerWaalsContact C-N 3.27Å; D185-R187 PolarHBondContact O-N 3.46Å; D185-L188 WeakPolarHBondContact O-CA 3.41Å; D185-L188 WeakPolarHBondContact O-CB 3.28Å; D185-L188 PolarHBondContact O-N 3.46Å; D185-D189 PolarHBondContact O-N 3.37Å |
| 186 | N | 78.4 | Confident | 75 | Confident | 84 Ų | 84 | 107 Ų | 107 | 45% | 0.449 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | 172 | -96.4 | 7.3 | 0 | 0 | 0 | 113.3 | Y182 Q190 | Y182-N186 PolarHBondContact O-N 3.12Å; Y182-N186 VanDerWaalsContact O-N 3.11Å; N186-Q190 WeakPolarHBondContact O-CG 3.46Å; N186-Q190 PolarHBondContact O-N 3.25Å |
| 187 | R | 72.1 | Confident | 75.2 | Confident | 157 Ų | 157 | 103.6 Ų | 103.6 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.1 | -35.4 | 174.3 | -72.6 | -176 | -155.8 | -99.6 | 3.6 | 111.8 | E183 Q184 D185 Q190 L191 | E183-R187 WeakPolarHBondContact O-CG 3.19Å; E183-R187 PolarHBondContact O-N 3.07Å; E183-R187 VanDerWaalsContact O-N 3.11Å; Q184-R187 CarbonylContact O-C 3.48Å; Q184-R187 WeakPolarHBondContact O-CB 3.48Å; Q184-R187 PolarHBondContact O-N 3.15Å; Q184-R187 VanDerWaalsContact O-N 3.1Å; D185-R187 VanDerWaalsContact C-N 3.27Å; D185-R187 PolarHBondContact O-N 3.46Å; R187-Q190 PolarHBondContact O-N 3.33Å; R187-L191 WeakPolarHBondContact O-CG 3.25Å; R187-L191 PolarHBondContact O-N 3.15Å |
| 188 | L | 82.7 | Confident | 75.7 | Confident | 105 Ų | 105 | 102.7 Ų | 102.7 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 175.4 | -75.3 | 175.1 | 0 | 0 | 0 | 111.4 | Q184 D185 L191 G192 | Q184-L188 WeakPolarHBondContact O-CG 3.39Å; Q184-L188 PolarHBondContact O-N 3.37Å; D185-L188 WeakPolarHBondContact O-CA 3.41Å; D185-L188 WeakPolarHBondContact O-CB 3.28Å; D185-L188 PolarHBondContact O-N 3.46Å; L188-L191 HydrophobicContact CD2-CD1 4.33Å; L188-L191 CarbonylContact O-C 3.55Å; L188-L191 WeakPolarHBondContact O-CB 3.42Å; L188-L191 PolarHBondContact O-N 2.96Å; L188-G192 PolarHBondContact O-N 3.18Å |
| 189 | D | 80.5 | Confident | 76 | Confident | 103 Ų | 103 | 102.2 Ų | 102.2 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 173.6 | -85.5 | -11.4 | 0 | 0 | 0 | 111.9 | D185 L191 G192 T193 | D185-D189 PolarHBondContact O-N 3.37Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 3.29Å; D189-G192 CarbonylContact O-C 3.54Å; D189-G192 WeakPolarHBondContact O-CA 3.01Å; D189-G192 PolarHBondContact O-N 3.49Å; D189-T193 WeakPolarHBondContact O-CG2 3.36Å; D189-T193 PolarHBondContact O-N 2.93Å |
| 190 | Q | 70.6 | Confident | 75.9 | Confident | 123 Ų | 123 | 97.9 Ų | 97.9 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | 174.3 | -71.2 | 173 | 20.4 | 0 | 0 | 112.3 | N186 R187 G192 T193 T194 | N186-Q190 WeakPolarHBondContact O-CG 3.46Å; N186-Q190 PolarHBondContact O-N 3.25Å; R187-Q190 PolarHBondContact O-N 3.33Å; Q190-G192 VanDerWaalsContact C-N 3.32Å; Q190-T193 WeakPolarHBondContact CA-OG1 2.92Å; Q190-T193 PolarHBondContact O-OG1 2.88Å; Q190-T194 VanDerWaalsContact O-CB 3.31Å; Q190-T194 WeakPolarHBondContact O-CB 3.44Å; Q190-T194 PolarHBondContact O-N 3.11Å; Q190-T194 PolarHBondContact O-OG1 2.68Å |
| 191 | L | 75.7 | Confident | 75.5 | Confident | 97 Ų | 97 | 97.5 Ų | 97.5 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 171.5 | -75.5 | 171.2 | 0 | 0 | 0 | 110.4 | R187 L188 D189 T194 I195 | R187-L191 WeakPolarHBondContact O-CG 3.25Å; R187-L191 PolarHBondContact O-N 3.15Å; L188-L191 HydrophobicContact CD2-CD1 4.33Å; L188-L191 CarbonylContact O-C 3.55Å; L188-L191 WeakPolarHBondContact O-CB 3.42Å; L188-L191 PolarHBondContact O-N 2.96Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 3.29Å; L191-T194 PolarHBondContact O-N 3.15Å; L191-I195 HydrophobicContact CB-CD1 4.48Å; L191-I195 VanDerWaalsContact O-CB 3.24Å; L191-I195 WeakPolarHBondContact O-CB 3.29Å; L191-I195 WeakPolarHBondContact O-CD1 3.49Å; L191-I195 WeakPolarHBondContact O-CG1 3.34Å; L191-I195 PolarHBondContact O-N 2.97Å |
| 192 | G | 80.5 | Confident | 75.4 | Confident | 39 Ų | 39 | 96 Ų | 96 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L188 D189 Q190 I195 S196 | L188-G192 PolarHBondContact O-N 3.18Å; D189-G192 CarbonylContact O-C 3.54Å; D189-G192 WeakPolarHBondContact O-CA 3.01Å; D189-G192 PolarHBondContact O-N 3.49Å; Q190-G192 VanDerWaalsContact C-N 3.32Å; G192-I195 PolarHBondContact O-N 3.39Å; G192-S196 WeakPolarHBondContact O-CB 3.28Å; G192-S196 PolarHBondContact O-N 2.9Å |
| 193 | T | 74 | Confident | 75.3 | Confident | 82 Ų | 82 | 93.7 Ų | 93.7 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.1 | 60 | 0 | 0 | 0 | 0 | 111.2 | D189 Q190 I195 S196 N197 | D189-T193 WeakPolarHBondContact O-CG2 3.36Å; D189-T193 PolarHBondContact O-N 2.93Å; Q190-T193 WeakPolarHBondContact CA-OG1 2.92Å; Q190-T193 PolarHBondContact O-OG1 2.88Å; T193-I195 VanDerWaalsContact C-N 3.34Å; T193-I195 PolarHBondContact O-N 2.83Å; T193-S196 WeakPolarHBondContact O-CB 3.39Å; T193-S196 PolarHBondContact O-N 3.48Å; T193-N197 PolarHBondContact O-N 3.27Å; T193-N197 PolarHBondContact O-OD1 3.46Å |
| 194 | T | 71.9 | Confident | 75 | Confident | 86 Ų | 86 | 92.4 Ų | 92.4 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 177.5 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | Q190 L191 N197 L198 | Q190-T194 VanDerWaalsContact O-CB 3.31Å; Q190-T194 WeakPolarHBondContact O-CB 3.44Å; Q190-T194 PolarHBondContact O-N 3.11Å; Q190-T194 PolarHBondContact O-OG1 2.68Å; L191-T194 PolarHBondContact O-N 3.15Å; T194-N197 PolarHBondContact O-N 3.34Å; T194-L198 WeakPolarHBondContact O-CB 3.38Å; T194-L198 PolarHBondContact O-N 3.47Å |
| 195 | I | 73.5 | Confident | 74.6 | Confident | 107 Ų | 107 | 91 Ų | 91 | 55% | 0.549 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 175.4 | -71.2 | 163.3 | 0 | 0 | 0 | 110.2 | L191 G192 T193 L198 K199 | L191-I195 HydrophobicContact CB-CD1 4.48Å; L191-I195 VanDerWaalsContact O-CB 3.24Å; L191-I195 WeakPolarHBondContact O-CB 3.29Å; L191-I195 WeakPolarHBondContact O-CD1 3.49Å; L191-I195 WeakPolarHBondContact O-CG1 3.34Å; L191-I195 PolarHBondContact O-N 2.97Å; G192-I195 PolarHBondContact O-N 3.39Å; T193-I195 VanDerWaalsContact C-N 3.34Å; T193-I195 PolarHBondContact O-N 2.83Å; I195-L198 PolarHBondContact O-N 3.32Å; I195-K199 WeakPolarHBondContact O-CB 3.35Å; I195-K199 PolarHBondContact O-N 3.16Å |
| 196 | S | 76.3 | Confident | 74.5 | Confident | 74 Ų | 74 | 88.6 Ų | 88.6 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 174 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | G192 T193 K199 G200 | G192-S196 WeakPolarHBondContact O-CB 3.28Å; G192-S196 PolarHBondContact O-N 2.9Å; T193-S196 WeakPolarHBondContact O-CB 3.39Å; T193-S196 PolarHBondContact O-N 3.48Å; S196-K199 PolarHBondContact O-N 3.3Å; S196-G200 PolarHBondContact O-N 3.2Å |
| 197 | N | 72.4 | Confident | 74.3 | Confident | 77 Ų | 77 | 89.9 Ų | 89.9 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 177.4 | -69.4 | 18.5 | 0 | 0 | 0 | 110.8 | E59 T193 T194 G200 M201 | E59-N197 PolarHBondContact OE2-ND2 3.16Å; E59-N197 VanDerWaalsContact OE2-ND2 3.12Å; T193-N197 PolarHBondContact O-N 3.27Å; T193-N197 PolarHBondContact O-OD1 3.46Å; T194-N197 PolarHBondContact O-N 3.34Å; N197-G200 PolarHBondContact O-N 3.46Å; N197-M201 WeakPolarHBondContact O-CB 3.27Å; N197-M201 PolarHBondContact O-N 3.42Å |
| 198 | L | 73.8 | Confident | 74.1 | Confident | 108 Ų | 108 | 84 Ų | 84 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.3 | -38 | 174.8 | -176.5 | 66.8 | 0 | 0 | 0 | 112.1 | T194 I195 M201 S202 | T194-L198 WeakPolarHBondContact O-CB 3.38Å; T194-L198 PolarHBondContact O-N 3.47Å; I195-L198 PolarHBondContact O-N 3.32Å; L198-M201 CarbonylContact O-C 3.58Å; L198-M201 WeakPolarHBondContact O-CB 3.44Å; L198-M201 PolarHBondContact O-N 3.04Å; L198-S202 WeakPolarHBondContact O-CB 3.43Å; L198-S202 PolarHBondContact O-N 3.48Å |
| 199 | K | 78.5 | Confident | 73.8 | Confident | 128 Ų | 128 | 83.8 Ų | 83.8 | 56% | 0.557 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.1 | -43.7 | 174.8 | -178.8 | -177.5 | 177.2 | -171.8 | 0 | 110.5 | I195 S196 M201 S202 Q203 | I195-K199 WeakPolarHBondContact O-CB 3.35Å; I195-K199 PolarHBondContact O-N 3.16Å; S196-K199 PolarHBondContact O-N 3.3Å; K199-M201 VanDerWaalsContact C-N 3.29Å; K199-M201 PolarHBondContact O-N 3.49Å; K199-S202 PolarHBondContact O-N 3.17Å; K199-Q203 WeakPolarHBondContact O-CG 3.3Å; K199-Q203 PolarHBondContact O-N 3.19Å |
| 200 | G | 71.5 | Confident | 73.5 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 21% | 0.206 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S196 N197 Q203 R204 | S196-G200 PolarHBondContact O-N 3.2Å; N197-G200 PolarHBondContact O-N 3.46Å; G200-Q203 PolarHBondContact O-N 3.49Å; G200-R204 VanDerWaalsContact O-CD 3.24Å; G200-R204 WeakPolarHBondContact O-CD 3.5Å; G200-R204 WeakPolarHBondContact O-CG 3.37Å; G200-R204 PolarHBondContact O-N 2.97Å; G200-R204 VanDerWaalsContact O-N 3.09Å |
| 201 | M | 68.9 | Low | 73.6 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 46% | 0.458 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176 | -168.9 | -176.9 | -173.4 | 0 | 0 | 112 | W52 N197 L198 K199 R204 I205 | W52-M201 HydrophobicContact CH2-CB 4.22Å; W52-M201 HydrophobicContact CH2-CG 3.78Å; W52-M201 HydrophobicContact CZ3-CB 4.27Å; W52-M201 HydrophobicContact CZ3-CG 4.02Å; N197-M201 WeakPolarHBondContact O-CB 3.27Å; N197-M201 PolarHBondContact O-N 3.42Å; L198-M201 CarbonylContact O-C 3.58Å; L198-M201 WeakPolarHBondContact O-CB 3.44Å; L198-M201 PolarHBondContact O-N 3.04Å; K199-M201 VanDerWaalsContact C-N 3.29Å; K199-M201 PolarHBondContact O-N 3.49Å; M201-R204 PolarHBondContact O-N 2.96Å; M201-I205 HydrophobicContact CE-CD1 4.29Å; M201-I205 HydrophobicContact CG-CD1 3.95Å; M201-I205 VanDerWaalsContact O-CG1 3.25Å; M201-I205 WeakPolarHBondContact O-CG1 3.27Å; M201-I205 PolarHBondContact O-N 3.19Å |
| 202 | S | 72.4 | Confident | 73.1 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 53% | 0.531 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 178.2 | 176 | 0 | 0 | 0 | 0 | 112.3 | L198 K199 R204 I205 G206 | L198-S202 WeakPolarHBondContact O-CB 3.43Å; L198-S202 PolarHBondContact O-N 3.48Å; K199-S202 PolarHBondContact O-N 3.17Å; S202-R204 VanDerWaalsContact C-N 3.32Å; S202-I205 PolarHBondContact O-N 3.49Å; S202-G206 PolarHBondContact O-N 3.46Å |
| 203 | Q | 75.5 | Confident | 72.8 | Confident | 117 Ų | 117 | 80.6 Ų | 80.6 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 176.6 | -76.7 | 179.7 | -33.3 | 0 | 0 | 110.3 | K199 G200 G206 D207 | K199-Q203 WeakPolarHBondContact O-CG 3.3Å; K199-Q203 PolarHBondContact O-N 3.19Å; G200-Q203 PolarHBondContact O-N 3.49Å; Q203-G206 CarbonylContact O-C 3.55Å; Q203-G206 WeakPolarHBondContact O-CA 3.4Å; Q203-G206 PolarHBondContact O-N 3.39Å; Q203-G206 VanDerWaalsContact O-N 3.14Å; Q203-D207 VanDerWaalsContact O-CG 3.31Å; Q203-D207 PolarHBondContact O-N 3.45Å |
| 204 | R | 67.4 | Low | 72.6 | Confident | 66 Ų | 66 | 81 Ų | 81 | 25% | 0.249 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.8 | -37 | 177.8 | -64.6 | 161 | 179.9 | -105.6 | -28.8 | 113.6 | W52 M55 G200 M201 S202 G206 D207 E208 | W52-R204 HydrophobicContact CH2-CB 3.32Å; W52-R204 HydrophobicContact CH2-CG 3.85Å; W52-R204 HydrophobicContact CZ2-CB 3.19Å; W52-R204 VanDerWaalsContact CZ2-CD 3.47Å; W52-R204 HydrophobicContact CZ2-CG 3.92Å; W52-R204 HydrophobicContact CZ3-CB 4.28Å; W52-R204 HydrophobicContact CZ3-CG 4.35Å; M55-R204 PolarHBondContact SD-NH2 3.06Å; G200-R204 VanDerWaalsContact O-CD 3.24Å; G200-R204 WeakPolarHBondContact O-CD 3.5Å; G200-R204 WeakPolarHBondContact O-CG 3.37Å; G200-R204 PolarHBondContact O-N 2.97Å; G200-R204 VanDerWaalsContact O-N 3.09Å; M201-R204 PolarHBondContact O-N 2.96Å; S202-R204 VanDerWaalsContact C-N 3.32Å; R204-G206 VanDerWaalsContact C-N 3.26Å; R204-D207 PolarHBondContact O-N 3.43Å; R204-E208 VanDerWaalsContact O-CB 3.29Å; R204-E208 WeakPolarHBondContact O-CB 3.45Å; R204-E208 PolarHBondContact O-N 3.39Å |
| 205 | I | 68.7 | Low | 72.5 | Confident | 80 Ų | 80 | 78.5 Ų | 78.5 | 41% | 0.41 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 171.1 | -68.9 | 164.8 | 0 | 0 | 0 | 109.6 | M201 S202 E208 L209 | M201-I205 HydrophobicContact CE-CD1 4.29Å; M201-I205 HydrophobicContact CG-CD1 3.95Å; M201-I205 VanDerWaalsContact O-CG1 3.25Å; M201-I205 WeakPolarHBondContact O-CG1 3.27Å; M201-I205 PolarHBondContact O-N 3.19Å; S202-I205 PolarHBondContact O-N 3.49Å; I205-E208 PolarHBondContact O-N 2.97Å; I205-L209 HydrophobicContact CG2-CD1 4.17Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.4Å; I205-L209 PolarHBondContact O-N 3Å |
| 206 | G | 78.9 | Confident | 72.7 | Confident | 39 Ų | 39 | 78.7 Ų | 78.7 | 40% | 0.402 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S202 Q203 R204 E208 L209 G210 | S202-G206 PolarHBondContact O-N 3.46Å; Q203-G206 CarbonylContact O-C 3.55Å; Q203-G206 WeakPolarHBondContact O-CA 3.4Å; Q203-G206 PolarHBondContact O-N 3.39Å; Q203-G206 VanDerWaalsContact O-N 3.14Å; R204-G206 VanDerWaalsContact C-N 3.26Å; G206-E208 VanDerWaalsContact C-N 3.32Å; G206-E208 PolarHBondContact O-N 3.38Å; G206-L209 PolarHBondContact O-N 3.47Å; G206-G210 PolarHBondContact O-N 2.92Å |
| 207 | D | 74.6 | Confident | 72.7 | Confident | 110 Ų | 110 | 79.5 Ų | 79.5 | 59% | 0.588 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.9 | -35.4 | 176.9 | -63.4 | -18.1 | 0 | 0 | 0 | 111.5 | Q203 R204 G210 D211 | Q203-D207 VanDerWaalsContact O-CG 3.31Å; Q203-D207 PolarHBondContact O-N 3.45Å; R204-D207 PolarHBondContact O-N 3.43Å; D207-G210 PolarHBondContact O-N 2.81Å; D207-D211 PolarHBondContact O-N 2.77Å |
| 208 | E | 68 | Low | 72.8 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 16% | 0.164 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 175 | -178.9 | 58.2 | -140.5 | 0 | 0 | 112 | Q45 K48 R204 I205 G206 G210 D211 Q212 | Q45-E208 PolarHBondContact OE1-OE1 3.22Å; K48-E208 WeakPolarHBondContact CD-OE2 3.17Å; K48-E208 WeakPolarHBondContact CE-OE2 3.17Å; K48-E208 IonicContact NZ-OE1 3.98Å; K48-E208 IonicContact NZ-OE2 2.61Å; K48-E208 PolarHBondContact NZ-OE2 2.83Å; R204-E208 VanDerWaalsContact O-CB 3.29Å; R204-E208 WeakPolarHBondContact O-CB 3.45Å; R204-E208 PolarHBondContact O-N 3.39Å; I205-E208 PolarHBondContact O-N 2.97Å; G206-E208 VanDerWaalsContact C-N 3.32Å; G206-E208 PolarHBondContact O-N 3.38Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 3.14Å; E208-D211 PolarHBondContact O-N 2.82Å; E208-Q212 WeakPolarHBondContact O-CB 3.42Å; E208-Q212 VanDerWaalsContact O-CG 3.27Å; E208-Q212 WeakPolarHBondContact O-CG 3.35Å; E208-Q212 PolarHBondContact O-N 3.11Å; E208-Q212 PolarHBondContact OE1-NE2 3.32Å |
| 209 | L | 75.9 | Confident | 72.8 | Confident | 99 Ų | 99 | 78.9 Ų | 78.9 | 52% | 0.518 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 174.4 | -70 | 172 | 0 | 0 | 0 | 110.9 | I205 G206 Q212 V213 | I205-L209 HydrophobicContact CG2-CD1 4.17Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.4Å; I205-L209 PolarHBondContact O-N 3Å; G206-L209 PolarHBondContact O-N 3.47Å; L209-Q212 PolarHBondContact O-N 3.31Å; L209-V213 VanDerWaalsContact O-CG2 3.27Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.08Å |
| 210 | G | 75.6 | Confident | 72.8 | Confident | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G206 D207 E208 Q212 V213 V214 | G206-G210 PolarHBondContact O-N 2.92Å; D207-G210 PolarHBondContact O-N 2.81Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 3.14Å; G210-Q212 VanDerWaalsContact C-N 3.33Å; G210-Q212 PolarHBondContact O-N 2.63Å; G210-V213 WeakPolarHBondContact O-CB 3.36Å; G210-V213 PolarHBondContact O-N 3.38Å; G210-V214 PolarHBondContact O-N 3.39Å; G210-V214 VanDerWaalsContact O-N 3.17Å |
| 211 | D | 70.9 | Confident | 73.2 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 43% | 0.433 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.2 | -79.3 | -6.5 | 0 | 0 | 0 | 111.8 | K48 D207 E208 V213 V214 L215 | K48-D211 WeakPolarHBondContact CE-OD2 3.45Å; K48-D211 VanDerWaalsContact NZ-CB 3.32Å; K48-D211 IonicContact NZ-OD2 3.48Å; K48-D211 PolarHBondContact NZ-OD2 3.3Å; D207-D211 PolarHBondContact O-N 2.77Å; E208-D211 PolarHBondContact O-N 2.82Å; D211-V213 VanDerWaalsContact C-N 3.31Å; D211-V213 PolarHBondContact O-N 2.91Å; D211-V214 PolarHBondContact O-N 3.4Å; D211-L215 WeakPolarHBondContact O-CB 3.4Å; D211-L215 PolarHBondContact O-N 2.89Å |
| 212 | Q | 65.6 | Low | 73.5 | Confident | 81 Ų | 81 | 77.7 Ų | 77.7 | 38% | 0.379 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 175.2 | -75.7 | 178.8 | 19.7 | 0 | 0 | 112.1 | E208 L209 G210 L215 L216 | E208-Q212 WeakPolarHBondContact O-CB 3.42Å; E208-Q212 VanDerWaalsContact O-CG 3.27Å; E208-Q212 WeakPolarHBondContact O-CG 3.35Å; E208-Q212 PolarHBondContact O-N 3.11Å; E208-Q212 PolarHBondContact OE1-NE2 3.32Å; L209-Q212 PolarHBondContact O-N 3.31Å; G210-Q212 VanDerWaalsContact C-N 3.33Å; G210-Q212 PolarHBondContact O-N 2.63Å; Q212-L215 PolarHBondContact O-N 3.11Å; Q212-L216 VanDerWaalsContact O-CB 3.32Å; Q212-L216 WeakPolarHBondContact O-CB 3.21Å; Q212-L216 WeakPolarHBondContact O-CD1 2.91Å; Q212-L216 PolarHBondContact O-N 2.82Å |
| 213 | V | 74.3 | Confident | 73.8 | Confident | 98 Ų | 98 | 78.4 Ų | 78.4 | 59% | 0.594 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.5 | -43.8 | 175.3 | 167 | 0 | 0 | 0 | 0 | 111.4 | L209 G210 D211 L215 L216 D217 | L209-V213 VanDerWaalsContact O-CG2 3.27Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.08Å; G210-V213 WeakPolarHBondContact O-CB 3.36Å; G210-V213 PolarHBondContact O-N 3.38Å; D211-V213 VanDerWaalsContact C-N 3.31Å; D211-V213 PolarHBondContact O-N 2.91Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.38Å; V213-L216 PolarHBondContact O-N 3.22Å; V213-D217 PolarHBondContact O-N 3.06Å |
| 214 | V | 70 | Confident | 74.1 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 174.8 | 176 | 0 | 0 | 0 | 0 | 110.4 | G210 D211 L216 D217 D218 | G210-V214 PolarHBondContact O-N 3.39Å; G210-V214 VanDerWaalsContact O-N 3.17Å; D211-V214 PolarHBondContact O-N 3.4Å; V214-L216 PolarHBondContact O-N 2.77Å; V214-D217 WeakPolarHBondContact O-CB 3.25Å; V214-D217 PolarHBondContact O-N 3.39Å; V214-D218 PolarHBondContact O-N 2.85Å |
| 215 | L | 70.2 | Confident | 74.8 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 17% | 0.173 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.4 | -35.4 | 178 | -162.9 | 97.8 | 0 | 0 | 0 | 113.3 | Q37 T41 D211 Q212 V213 D217 D218 F219 | Q37-L215 HydrophobicContact CG-CD1 4.17Å; Q37-L215 HydrophobicContact CG-CG 4.39Å; T41-L215 HydrophobicContact CG2-CD1 4.35Å; T41-L215 HydrophobicContact CG2-CD2 3.45Å; T41-L215 VanDerWaalsContact CG2-CD2 3.45Å; T41-L215 WeakPolarHBondContact OG1-CD1 3.39Å; T41-L215 WeakPolarHBondContact OG1-CD2 3.48Å; D211-L215 WeakPolarHBondContact O-CB 3.4Å; D211-L215 PolarHBondContact O-N 2.89Å; Q212-L215 PolarHBondContact O-N 3.11Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.38Å; L215-D217 VanDerWaalsContact C-N 3.29Å; L215-D218 PolarHBondContact O-N 2.88Å; L215-F219 WeakPolarHBondContact O-CB 3.44Å; L215-F219 PolarHBondContact O-N 3.26Å |
| 216 | L | 77.5 | Confident | 75.4 | Confident | 111 Ų | 111 | 75 Ų | 75 | 58% | 0.581 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.1 | -35.6 | 172.8 | -94.6 | 148.5 | 0 | 0 | 0 | 111.2 | Q212 V213 V214 N220 | Q212-L216 VanDerWaalsContact O-CB 3.32Å; Q212-L216 WeakPolarHBondContact O-CB 3.21Å; Q212-L216 WeakPolarHBondContact O-CD1 2.91Å; Q212-L216 PolarHBondContact O-N 2.82Å; V213-L216 PolarHBondContact O-N 3.22Å; V214-L216 PolarHBondContact O-N 2.77Å; L216-N220 WeakPolarHBondContact O-CB 3.32Å; L216-N220 PolarHBondContact O-N 3.5Å |
| 217 | D | 76.8 | Confident | 75.6 | Confident | 91 Ų | 91 | 78.3 Ų | 78.3 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | 174.5 | -161.7 | 49.5 | 0 | 0 | 0 | 111.5 | V213 V214 L215 F219 N220 N221 | V213-D217 PolarHBondContact O-N 3.06Å; V214-D217 WeakPolarHBondContact O-CB 3.25Å; V214-D217 PolarHBondContact O-N 3.39Å; L215-D217 VanDerWaalsContact C-N 3.29Å; D217-F219 PolarHBondContact O-N 2.85Å; D217-N220 CarbonylContact O-C 3.58Å; D217-N220 WeakPolarHBondContact O-CB 3.4Å; D217-N220 PolarHBondContact O-N 3.31Å; D217-N221 WeakPolarHBondContact O-CB 3.5Å; D217-N221 PolarHBondContact O-N 2.82Å; D217-N221 PolarHBondContact O-ND2 3.39Å; D217-N221 VanDerWaalsContact O-ND2 3.11Å |
| 218 | D | 74.7 | Confident | 76.2 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 172.9 | -72.4 | -16.8 | 0 | 0 | 0 | 112.2 | Q37 V214 L215 N220 N221 E222 | Q37-D218 HydrophobicContact CG-CB 4.33Å; Q37-D218 PolarHBondContact NE2-OD2 3.34Å; V214-D218 PolarHBondContact O-N 2.85Å; L215-D218 PolarHBondContact O-N 2.88Å; D218-N220 VanDerWaalsContact C-N 3.31Å; D218-N220 PolarHBondContact O-N 3.2Å; D218-N221 WeakPolarHBondContact O-CB 3.26Å; D218-N221 PolarHBondContact O-N 3.48Å; D218-E222 PolarHBondContact O-N 2.87Å |
| 219 | F | 73.6 | Confident | 76.9 | Confident | 118 Ų | 118 | 82.8 Ų | 82.8 | 52% | 0.518 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 175 | 178.8 | -106.8 | 0 | 0 | 0 | 111.4 | L215 D217 N221 E222 M223 | L215-F219 WeakPolarHBondContact O-CB 3.44Å; L215-F219 PolarHBondContact O-N 3.26Å; D217-F219 PolarHBondContact O-N 2.85Å; F219-N221 VanDerWaalsContact C-N 3.34Å; F219-E222 PolarHBondContact O-N 3.23Å; F219-M223 HydrophobicContact CD1-CE 3.86Å; F219-M223 HydrophobicContact CE1-CE 3.21Å; F219-M223 HydrophobicContact CZ-CE 3.84Å; F219-M223 VanDerWaalsContact O-CB 3.26Å; F219-M223 WeakPolarHBondContact O-CB 3.11Å; F219-M223 PolarHBondContact O-N 3.41Å |
| 220 | N | 78.8 | Confident | 77.4 | Confident | 69 Ų | 69 | 82.7 Ų | 82.7 | 37% | 0.369 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 173.1 | 176.6 | 70.3 | 0 | 0 | 0 | 111 | L216 D217 D218 M223 I224 | L216-N220 WeakPolarHBondContact O-CB 3.32Å; L216-N220 PolarHBondContact O-N 3.5Å; D217-N220 CarbonylContact O-C 3.58Å; D217-N220 WeakPolarHBondContact O-CB 3.4Å; D217-N220 PolarHBondContact O-N 3.31Å; D218-N220 VanDerWaalsContact C-N 3.31Å; D218-N220 PolarHBondContact O-N 3.2Å; N220-M223 WeakPolarHBondContact O-CB 3.48Å; N220-M223 PolarHBondContact O-N 3.31Å; N220-I224 WeakPolarHBondContact O-CB 3.49Å; N220-I224 VanDerWaalsContact O-CG1 3.22Å; N220-I224 WeakPolarHBondContact O-CG1 3.4Å; N220-I224 PolarHBondContact O-N 2.97Å |
| 221 | N | 79.6 | Confident | 78 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 42% | 0.422 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.4 | -70.1 | -35.3 | 0 | 0 | 0 | 112.1 | D217 D218 F219 I224 S225 | D217-N221 WeakPolarHBondContact O-CB 3.5Å; D217-N221 PolarHBondContact O-N 2.82Å; D217-N221 PolarHBondContact O-ND2 3.39Å; D217-N221 VanDerWaalsContact O-ND2 3.11Å; D218-N221 WeakPolarHBondContact O-CB 3.26Å; D218-N221 PolarHBondContact O-N 3.48Å; F219-N221 VanDerWaalsContact C-N 3.34Å; N221-I224 PolarHBondContact O-N 2.98Å; N221-S225 PolarHBondContact O-N 2.85Å |
| 222 | E | 74.3 | Confident | 78.7 | Confident | 68 Ų | 68 | 84 Ų | 84 | 32% | 0.318 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 175.3 | -176.4 | 151.1 | -153.3 | 0 | 0 | 112.2 | G35 D218 F219 S225 T226 | G35-E222 WeakPolarHBondContact CA-OE1 3.46Å; D218-E222 PolarHBondContact O-N 2.87Å; F219-E222 PolarHBondContact O-N 3.23Å; E222-S225 PolarHBondContact O-N 2.87Å; E222-S225 PolarHBondContact O-OG 3.41Å; E222-T226 WeakPolarHBondContact O-CB 3.46Å; E222-T226 PolarHBondContact O-N 3.39Å; E222-T226 PolarHBondContact O-OG1 2.72Å |
| 223 | M | 78.6 | Confident | 79.6 | Confident | 91 Ų | 91 | 84.4 Ų | 84.4 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61 | -46 | 172 | -173.8 | -172.4 | -50.7 | 0 | 0 | 110.9 | F219 N220 S225 T226 E227 | F219-M223 HydrophobicContact CD1-CE 3.86Å; F219-M223 HydrophobicContact CE1-CE 3.21Å; F219-M223 HydrophobicContact CZ-CE 3.84Å; F219-M223 VanDerWaalsContact O-CB 3.26Å; F219-M223 WeakPolarHBondContact O-CB 3.11Å; F219-M223 PolarHBondContact O-N 3.41Å; N220-M223 WeakPolarHBondContact O-CB 3.48Å; N220-M223 PolarHBondContact O-N 3.31Å; M223-S225 VanDerWaalsContact C-N 3.29Å; M223-S225 PolarHBondContact O-N 3.41Å; M223-T226 CarbonylContact O-C 3.58Å; M223-T226 WeakPolarHBondContact O-CA 3.22Å; M223-T226 WeakPolarHBondContact O-CB 3.44Å; M223-T226 PolarHBondContact O-N 2.81Å; M223-T226 VanDerWaalsContact O-N 3.09Å; M223-E227 WeakPolarHBondContact O-CB 3.33Å; M223-E227 PolarHBondContact O-N 2.85Å |
| 224 | I | 82.7 | Confident | 80.1 | Confident | 83 Ų | 83 | 83 Ų | 83 | 43% | 0.426 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60 | -41 | 175.1 | -70.6 | 163.8 | 0 | 0 | 0 | 110.5 | N220 N221 T226 E227 S228 | N220-I224 WeakPolarHBondContact O-CB 3.49Å; N220-I224 VanDerWaalsContact O-CG1 3.22Å; N220-I224 WeakPolarHBondContact O-CG1 3.4Å; N220-I224 PolarHBondContact O-N 2.97Å; N221-I224 PolarHBondContact O-N 2.98Å; I224-T226 VanDerWaalsContact C-N 3.32Å; I224-T226 PolarHBondContact O-N 2.95Å; I224-E227 PolarHBondContact O-N 2.74Å; I224-S228 WeakPolarHBondContact O-CB 3.49Å; I224-S228 PolarHBondContact O-N 3.09Å |
| 225 | S | 81 | Confident | 80.9 | Confident | 45 Ų | 45 | 84.5 Ų | 84.5 | 32% | 0.315 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.8 | 88.6 | 0 | 0 | 0 | 0 | 111.7 | N221 E222 M223 S228 R229 | N221-S225 PolarHBondContact O-N 2.85Å; E222-S225 PolarHBondContact O-N 2.87Å; E222-S225 PolarHBondContact O-OG 3.41Å; M223-S225 VanDerWaalsContact C-N 3.29Å; M223-S225 PolarHBondContact O-N 3.41Å; S225-S228 PolarHBondContact O-N 3.32Å; S225-S228 PolarHBondContact O-OG 3.23Å; S225-R229 WeakPolarHBondContact O-CG 3.37Å; S225-R229 PolarHBondContact O-N 2.99Å |
| 226 | T | 81.9 | Confident | 81.4 | Confident | 63 Ų | 63 | 91.2 Ų | 91.2 | 39% | 0.387 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71 | -39.3 | 178 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | E222 M223 I224 R229 L230 | E222-T226 WeakPolarHBondContact O-CB 3.46Å; E222-T226 PolarHBondContact O-N 3.39Å; E222-T226 PolarHBondContact O-OG1 2.72Å; M223-T226 CarbonylContact O-C 3.58Å; M223-T226 WeakPolarHBondContact O-CA 3.22Å; M223-T226 WeakPolarHBondContact O-CB 3.44Å; M223-T226 PolarHBondContact O-N 2.81Å; M223-T226 VanDerWaalsContact O-N 3.09Å; I224-T226 VanDerWaalsContact C-N 3.32Å; I224-T226 PolarHBondContact O-N 2.95Å; T226-R229 WeakPolarHBondContact O-CB 3.35Å; T226-R229 PolarHBondContact O-N 2.7Å; T226-L230 HydrophobicContact CG2-CD1 4.3Å; T226-L230 HydrophobicContact CG2-CG 4.42Å; T226-L230 WeakPolarHBondContact O-CB 3.5Å; T226-L230 WeakPolarHBondContact O-CG 3.5Å; T226-L230 PolarHBondContact O-N 3.46Å |
| 227 | E | 82.6 | Confident | 81.4 | Confident | 110 Ų | 110 | 89.7 Ų | 89.7 | 51% | 0.514 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 172 | -176.6 | 175.5 | -169.8 | 0 | 0 | 109.9 | M223 I224 R229 L230 D231 | M223-E227 WeakPolarHBondContact O-CB 3.33Å; M223-E227 PolarHBondContact O-N 2.85Å; I224-E227 PolarHBondContact O-N 2.74Å; E227-R229 VanDerWaalsContact C-N 3.29Å; E227-R229 PolarHBondContact O-N 2.75Å; E227-L230 CarbonylContact O-C 3.57Å; E227-L230 PolarHBondContact O-N 2.93Å; E227-D231 WeakPolarHBondContact O-CB 3.26Å; E227-D231 PolarHBondContact O-N 3.09Å |
| 228 | S | 87.7 | Confident | 81.5 | Confident | 68 Ų | 68 | 87.9 Ų | 87.9 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.4 | -35.8 | 176.2 | 80.6 | 0 | 0 | 0 | 0 | 112.8 | I224 S225 S232 | I224-S228 WeakPolarHBondContact O-CB 3.49Å; I224-S228 PolarHBondContact O-N 3.09Å; S225-S228 PolarHBondContact O-N 3.32Å; S225-S228 PolarHBondContact O-OG 3.23Å; S228-S232 WeakPolarHBondContact O-CB 3.47Å; S228-S232 PolarHBondContact O-N 2.68Å |
| 229 | R | 82.7 | Confident | 81.4 | Confident | 171 Ų | 171 | 92.1 Ų | 92.1 | 65% | 0.645 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.6 | -45.8 | 175 | -76.8 | 174.7 | 166.5 | -172.6 | -1 | 110.9 | S225 T226 E227 D231 S232 I233 | S225-R229 WeakPolarHBondContact O-CG 3.37Å; S225-R229 PolarHBondContact O-N 2.99Å; T226-R229 WeakPolarHBondContact O-CB 3.35Å; T226-R229 PolarHBondContact O-N 2.7Å; E227-R229 VanDerWaalsContact C-N 3.29Å; E227-R229 PolarHBondContact O-N 2.75Å; R229-D231 VanDerWaalsContact C-N 3.3Å; R229-D231 PolarHBondContact O-N 3.45Å; R229-S232 WeakPolarHBondContact O-CB 3.45Å; R229-S232 PolarHBondContact O-N 3.03Å; R229-S232 VanDerWaalsContact O-N 3.17Å; R229-S232 PolarHBondContact O-OG 2.66Å; R229-I233 VanDerWaalsContact O-CG1 3.3Å; R229-I233 WeakPolarHBondContact O-CG1 3.48Å; R229-I233 PolarHBondContact O-N 3.1Å |
| 230 | L | 86.1 | Confident | 81.2 | Confident | 96 Ų | 96 | 92.5 Ų | 92.5 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 173.7 | -76.5 | 176.8 | 0 | 0 | 0 | 109.9 | T226 E227 S232 I233 T234 | T226-L230 HydrophobicContact CG2-CD1 4.3Å; T226-L230 HydrophobicContact CG2-CG 4.42Å; T226-L230 WeakPolarHBondContact O-CB 3.5Å; T226-L230 WeakPolarHBondContact O-CG 3.5Å; T226-L230 PolarHBondContact O-N 3.46Å; E227-L230 CarbonylContact O-C 3.57Å; E227-L230 PolarHBondContact O-N 2.93Å; L230-S232 VanDerWaalsContact C-N 3.31Å; L230-S232 PolarHBondContact O-N 3.22Å; L230-I233 CarbonylContact O-C 3.6Å; L230-I233 WeakPolarHBondContact O-CA 3.47Å; L230-I233 WeakPolarHBondContact O-CB 3.48Å; L230-I233 PolarHBondContact O-N 3.17Å; L230-T234 WeakPolarHBondContact O-CB 3.03Å; L230-T234 VanDerWaalsContact O-CG2 3.26Å; L230-T234 WeakPolarHBondContact O-CG2 3.33Å; L230-T234 PolarHBondContact O-N 3.38Å; L230-T234 PolarHBondContact O-OG1 2.82Å; L230-T234 VanDerWaalsContact O-OG1 3.14Å |
| 231 | D | 88.2 | Confident | 80.7 | Confident | 94 Ų | 94 | 95.8 Ų | 95.8 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 174.6 | -90.5 | 1.3 | 0 | 0 | 0 | 112.5 | E227 R229 I233 T234 K235 | E227-D231 WeakPolarHBondContact O-CB 3.26Å; E227-D231 PolarHBondContact O-N 3.09Å; R229-D231 VanDerWaalsContact C-N 3.3Å; R229-D231 PolarHBondContact O-N 3.45Å; D231-I233 VanDerWaalsContact C-N 3.29Å; D231-I233 PolarHBondContact O-N 3.48Å; D231-T234 VanDerWaalsContact CA-OG1 3.23Å; D231-T234 WeakPolarHBondContact CA-OG1 3.23Å; D231-T234 PolarHBondContact O-OG1 2.72Å; D231-T234 VanDerWaalsContact O-OG1 3.09Å; D231-K235 WeakPolarHBondContact O-CB 3.46Å; D231-K235 PolarHBondContact O-N 3.14Å |
| 232 | S | 86.1 | Confident | 80.2 | Confident | 50 Ų | 50 | 98 Ų | 98 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 174.3 | 83.3 | 0 | 0 | 0 | 0 | 111.7 | S228 R229 L230 R236 | S228-S232 WeakPolarHBondContact O-CB 3.47Å; S228-S232 PolarHBondContact O-N 2.68Å; R229-S232 WeakPolarHBondContact O-CB 3.45Å; R229-S232 PolarHBondContact O-N 3.03Å; R229-S232 VanDerWaalsContact O-N 3.17Å; R229-S232 PolarHBondContact O-OG 2.66Å; L230-S232 VanDerWaalsContact C-N 3.31Å; L230-S232 PolarHBondContact O-N 3.22Å; S232-R236 WeakPolarHBondContact O-CB 3.46Å; S232-R236 WeakPolarHBondContact O-CD 3.27Å; S232-R236 WeakPolarHBondContact O-CG 3.3Å; S232-R236 PolarHBondContact O-N 2.93Å; S232-R236 VanDerWaalsContact O-N 3.1Å |
| 233 | I | 84.4 | Confident | 79.4 | Confident | 90 Ų | 90 | 100 Ų | 100 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.9 | -48.1 | 178.3 | -67.5 | 166 | 0 | 0 | 0 | 110.1 | R229 L230 D231 K235 R236 T237 | R229-I233 VanDerWaalsContact O-CG1 3.3Å; R229-I233 WeakPolarHBondContact O-CG1 3.48Å; R229-I233 PolarHBondContact O-N 3.1Å; L230-I233 CarbonylContact O-C 3.6Å; L230-I233 WeakPolarHBondContact O-CA 3.47Å; L230-I233 WeakPolarHBondContact O-CB 3.48Å; L230-I233 PolarHBondContact O-N 3.17Å; D231-I233 VanDerWaalsContact C-N 3.29Å; D231-I233 PolarHBondContact O-N 3.48Å; I233-K235 VanDerWaalsContact C-N 3.3Å; I233-K235 PolarHBondContact O-N 2.89Å; I233-R236 CarbonylContact O-C 3.58Å; I233-R236 WeakPolarHBondContact O-CA 3.49Å; I233-R236 WeakPolarHBondContact O-CB 3.13Å; I233-R236 PolarHBondContact O-N 3.09Å; I233-R236 VanDerWaalsContact O-N 3.09Å; I233-T237 HydrophobicContact CG2-CG2 4.43Å; I233-T237 WeakPolarHBondContact O-CG2 3.19Å; I233-T237 PolarHBondContact O-N 3.28Å; I233-T237 PolarHBondContact O-OG1 2.8Å |
| 234 | T | 84.4 | Confident | 78.6 | Confident | 70 Ų | 70 | 100 Ų | 100 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 177.9 | 60.6 | 0 | 0 | 0 | 0 | 110.6 | L230 D231 T237 A238 | L230-T234 WeakPolarHBondContact O-CB 3.03Å; L230-T234 VanDerWaalsContact O-CG2 3.26Å; L230-T234 WeakPolarHBondContact O-CG2 3.33Å; L230-T234 PolarHBondContact O-N 3.38Å; L230-T234 PolarHBondContact O-OG1 2.82Å; L230-T234 VanDerWaalsContact O-OG1 3.14Å; D231-T234 VanDerWaalsContact CA-OG1 3.23Å; D231-T234 WeakPolarHBondContact CA-OG1 3.23Å; D231-T234 PolarHBondContact O-OG1 2.72Å; D231-T234 VanDerWaalsContact O-OG1 3.09Å; T234-T237 VanDerWaalsContact CA-OG1 3.27Å; T234-T237 WeakPolarHBondContact CA-OG1 3.06Å; T234-T237 PolarHBondContact O-N 3.42Å; T234-T237 PolarHBondContact O-OG1 2.73Å; T234-A238 WeakPolarHBondContact O-CA 3.46Å; T234-A238 WeakPolarHBondContact O-CB 3.44Å; T234-A238 PolarHBondContact O-N 3.42Å |
| 235 | K | 86.5 | Confident | 77.6 | Confident | 122 Ų | 122 | 100 Ų | 100 | 53% | 0.53 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 173.4 | -170.5 | 173.2 | -170.6 | 172.6 | 0 | 111.9 | D231 I233 R239 | D231-K235 WeakPolarHBondContact O-CB 3.46Å; D231-K235 PolarHBondContact O-N 3.14Å; I233-K235 VanDerWaalsContact C-N 3.3Å; I233-K235 PolarHBondContact O-N 2.89Å; K235-R239 VanDerWaalsContact O-CB 3.28Å; K235-R239 WeakPolarHBondContact O-CB 3.28Å; K235-R239 WeakPolarHBondContact O-CD 3.22Å; K235-R239 WeakPolarHBondContact O-CG 3.43Å; K235-R239 PolarHBondContact O-N 3.34Å |
| 236 | R | 80.6 | Confident | 77.3 | Confident | 174 Ų | 174 | 102.4 Ų | 102.4 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.2 | -45 | 172.9 | -74.7 | 169.3 | -175.4 | -165 | 2.7 | 110.9 | S232 I233 R239 L240 | S232-R236 WeakPolarHBondContact O-CB 3.46Å; S232-R236 WeakPolarHBondContact O-CD 3.27Å; S232-R236 WeakPolarHBondContact O-CG 3.3Å; S232-R236 PolarHBondContact O-N 2.93Å; S232-R236 VanDerWaalsContact O-N 3.1Å; I233-R236 CarbonylContact O-C 3.58Å; I233-R236 WeakPolarHBondContact O-CA 3.49Å; I233-R236 WeakPolarHBondContact O-CB 3.13Å; I233-R236 PolarHBondContact O-N 3.09Å; I233-R236 VanDerWaalsContact O-N 3.09Å; R236-R239 PolarHBondContact O-N 2.91Å; R236-L240 VanDerWaalsContact O-CG 3.28Å; R236-L240 WeakPolarHBondContact O-CG 3.28Å; R236-L240 PolarHBondContact O-N 2.97Å |
| 237 | T | 77.8 | Confident | 77.1 | Confident | 78 Ų | 78 | 109.9 Ų | 109.9 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 177.6 | 57.8 | 0 | 0 | 0 | 0 | 112 | I233 T234 R239 L240 L241 | I233-T237 HydrophobicContact CG2-CG2 4.43Å; I233-T237 WeakPolarHBondContact O-CG2 3.19Å; I233-T237 PolarHBondContact O-N 3.28Å; I233-T237 PolarHBondContact O-OG1 2.8Å; T234-T237 VanDerWaalsContact CA-OG1 3.27Å; T234-T237 WeakPolarHBondContact CA-OG1 3.06Å; T234-T237 PolarHBondContact O-N 3.42Å; T234-T237 PolarHBondContact O-OG1 2.73Å; T237-R239 VanDerWaalsContact C-N 3.35Å; T237-L240 CarbonylContact O-C 3.52Å; T237-L240 WeakPolarHBondContact O-CB 3.47Å; T237-L240 PolarHBondContact O-N 3.36Å; T237-L240 VanDerWaalsContact O-N 3.17Å; T237-L241 WeakPolarHBondContact O-CB 3.44Å; T237-L241 PolarHBondContact O-N 2.82Å |
| 238 | A | 78.7 | Confident | 76.9 | Confident | 54 Ų | 54 | 115.2 Ų | 115.2 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.1 | -38 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T234 L241 H242 | T234-A238 WeakPolarHBondContact O-CA 3.46Å; T234-A238 WeakPolarHBondContact O-CB 3.44Å; T234-A238 PolarHBondContact O-N 3.42Å; A238-L241 PolarHBondContact O-N 2.8Å; A238-H242 WeakPolarHBondContact O-CB 3.12Å; A238-H242 PolarHBondContact O-N 3.17Å |
| 239 | R | 72.9 | Confident | 76.5 | Confident | 141 Ų | 141 | 115.5 Ų | 115.5 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -43.3 | 170.2 | -77.2 | 170.6 | -179.7 | -176.8 | -2.1 | 111.2 | K235 R236 T237 L241 H242 L243 | K235-R239 VanDerWaalsContact O-CB 3.28Å; K235-R239 WeakPolarHBondContact O-CB 3.28Å; K235-R239 WeakPolarHBondContact O-CD 3.22Å; K235-R239 WeakPolarHBondContact O-CG 3.43Å; K235-R239 PolarHBondContact O-N 3.34Å; R236-R239 PolarHBondContact O-N 2.91Å; T237-R239 VanDerWaalsContact C-N 3.35Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 2.84Å; R239-H242 PolarHBondContact O-N 3.26Å; R239-L243 WeakPolarHBondContact O-CB 3.35Å; R239-L243 WeakPolarHBondContact O-CD1 3.39Å; R239-L243 WeakPolarHBondContact O-CG 3.39Å; R239-L243 PolarHBondContact O-N 3.41Å |
| 240 | L | 69.3 | Low | 76.5 | Confident | 127 Ų | 127 | 115.4 Ų | 115.4 | 67% | 0.665 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63 | -35.3 | 176.3 | -69.6 | 172.1 | 0 | 0 | 0 | 112 | R236 T237 | R236-L240 VanDerWaalsContact O-CG 3.28Å; R236-L240 WeakPolarHBondContact O-CG 3.28Å; R236-L240 PolarHBondContact O-N 2.97Å; T237-L240 CarbonylContact O-C 3.52Å; T237-L240 WeakPolarHBondContact O-CB 3.47Å; T237-L240 PolarHBondContact O-N 3.36Å; T237-L240 VanDerWaalsContact O-N 3.17Å |
| 241 | L | 68.5 | Low | 76.3 | Confident | 138 Ų | 138 | 115.1 Ų | 115.1 | 72% | 0.723 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.7 | -45.2 | 173.3 | -166.3 | 89.8 | 0 | 0 | 0 | 111.6 | T237 A238 R239 N244 | T237-L241 WeakPolarHBondContact O-CB 3.44Å; T237-L241 PolarHBondContact O-N 2.82Å; A238-L241 PolarHBondContact O-N 2.8Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 2.84Å; L241-N244 WeakPolarHBondContact O-CB 3.49Å; L241-N244 PolarHBondContact O-N 3.09Å |
| 242 | H | 69 | Low | 76.2 | Confident | 124 Ų | 124 | 113.5 Ų | 113.5 | 57% | 0.574 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.2 | -35.2 | -178.6 | 169.6 | -85.6 | 0 | 0 | 0 | 112.5 | A238 R239 N244 T245 | A238-H242 WeakPolarHBondContact O-CB 3.12Å; A238-H242 PolarHBondContact O-N 3.17Å; R239-H242 PolarHBondContact O-N 3.26Å; H242-N244 PolarHBondContact O-N 3.11Å; H242-N244 VanDerWaalsContact O-N 3.14Å; H242-T245 WeakPolarHBondContact O-CG2 3.48Å; H242-T245 PolarHBondContact O-N 3.14Å; H242-T245 VanDerWaalsContact O-N 3.11Å; H242-T245 PolarHBondContact O-OG1 3.2Å; H242-T245 VanDerWaalsContact O-OG1 3.09Å |
| 243 | L | 57.9 | Low | 76.3 | Confident | 110 Ų | 110 | 115.6 Ų | 115.6 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -4.6 | 176.7 | -66.1 | 167.1 | 0 | 0 | 0 | 112.8 | R239 | R239-L243 WeakPolarHBondContact O-CB 3.35Å; R239-L243 WeakPolarHBondContact O-CD1 3.39Å; R239-L243 WeakPolarHBondContact O-CG 3.39Å; R239-L243 PolarHBondContact O-N 3.41Å |
| 244 | N | 61 | Low | 76.6 | Confident | 93 Ų | 93 | 117.3 Ų | 117.3 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94 | 5.4 | 172.8 | -140.1 | 13.2 | 0 | 0 | 0 | 112.6 | L241 H242 D246 Q249 | L241-N244 WeakPolarHBondContact O-CB 3.49Å; L241-N244 PolarHBondContact O-N 3.09Å; H242-N244 PolarHBondContact O-N 3.11Å; H242-N244 VanDerWaalsContact O-N 3.14Å; N244-D246 VanDerWaalsContact C-N 3.29Å; N244-D246 PolarHBondContact O-N 2.89Å; N244-Q249 PolarHBondContact OD1-OE1 2.97Å |
| 245 | T | 63.2 | Low | 76.9 | Confident | 83 Ų | 83 | 117.1 Ų | 117.1 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | trans | -91.8 | 19.2 | 178.2 | 78.2 | 0 | 0 | 0 | 0 | 113 | H242 R247 | H242-T245 WeakPolarHBondContact O-CG2 3.48Å; H242-T245 PolarHBondContact O-N 3.14Å; H242-T245 VanDerWaalsContact O-N 3.11Å; H242-T245 PolarHBondContact O-OG1 3.2Å; H242-T245 VanDerWaalsContact O-OG1 3.09Å; T245-R247 PolarHBondContact O-N 3.24Å | ||
| 246 | D | 73.5 | Confident | 77.1 | Confident | 94 Ų | 94 | 117.2 Ų | 117.2 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | trans | -67.2 | 122.4 | 175.6 | -82.5 | -24.1 | 0 | 0 | 0 | 109.5 | N244 R248 Q249 W250 | N244-D246 VanDerWaalsContact C-N 3.29Å; N244-D246 PolarHBondContact O-N 2.89Å; D246-R248 PolarHBondContact O-N 2.98Å; D246-Q249 HydrophobicContact CB-CB 4.29Å; D246-Q249 HydrophobicContact CB-CG 4.11Å; D246-Q249 WeakPolarHBondContact O-CB 3.5Å; D246-Q249 PolarHBondContact O-N 3.04Å; D246-W250 PolarHBondContact O-N 3.49Å | ||
| 247 | R | 78.5 | Confident | 77.7 | Confident | 221 Ų | 221 | 113.7 Ų | 113.7 | 83% | 0.834 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -51.4 | -31.6 | 177.5 | -68.2 | -174.4 | -170.1 | 170.8 | 3.3 | 112.1 | T245 C251 | T245-R247 PolarHBondContact O-N 3.24Å; R247-C251 PolarHBondContact O-N 3.49Å; R247-C251 PolarHBondContact O-SG 2.95Å |
| 248 | R | 78 | Confident | 78.5 | Confident | 221 Ų | 221 | 113.8 Ų | 113.8 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68 | -41.8 | 177 | -63.8 | -177.2 | -179.7 | -161.7 | 0.2 | 112.6 | D246 C251 A252 | D246-R248 PolarHBondContact O-N 2.98Å; R248-C251 PolarHBondContact O-N 3.4Å; R248-A252 PolarHBondContact O-N 3.42Å |
| 249 | Q | 79.9 | Confident | 79.2 | Confident | 75 Ų | 75 | 114.8 Ų | 114.8 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.8 | -41.9 | 175.5 | -72.5 | 177.8 | -18.7 | 0 | 0 | 110.9 | N244 D246 C251 A252 I253 | N244-Q249 PolarHBondContact OD1-OE1 2.97Å; D246-Q249 HydrophobicContact CB-CB 4.29Å; D246-Q249 HydrophobicContact CB-CG 4.11Å; D246-Q249 WeakPolarHBondContact O-CB 3.5Å; D246-Q249 PolarHBondContact O-N 3.04Å; Q249-C251 VanDerWaalsContact C-N 3.33Å; Q249-C251 PolarHBondContact O-N 2.97Å; Q249-A252 WeakPolarHBondContact O-CB 3.33Å; Q249-A252 PolarHBondContact O-N 2.9Å; Q249-A252 VanDerWaalsContact O-N 3.08Å; Q249-I253 PolarHBondContact O-N 2.86Å |
| 250 | W | 81.6 | Confident | 80.2 | Confident | 168 Ų | 168 | 112.8 Ų | 112.8 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59 | -42.1 | 173.1 | -104.6 | 91.6 | 0 | 0 | 0 | 112.4 | D246 F254 | D246-W250 PolarHBondContact O-N 3.49Å; W250-F254 WeakPolarHBondContact O-CB 3.46Å; W250-F254 PolarHBondContact O-N 3.29Å |
| 251 | C | 82 | Confident | 81.4 | Confident | 91 Ų | 91 | 111 Ų | 111 | 62% | 0.615 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.2 | -40.5 | 171.8 | -80.7 | 0 | 0 | 0 | 0 | 112.6 | R247 R248 Q249 F254 S255 | R247-C251 PolarHBondContact O-N 3.49Å; R247-C251 PolarHBondContact O-SG 2.95Å; R248-C251 PolarHBondContact O-N 3.4Å; Q249-C251 VanDerWaalsContact C-N 3.33Å; Q249-C251 PolarHBondContact O-N 2.97Å; C251-F254 PolarHBondContact O-N 2.9Å; C251-S255 VanDerWaalsContact O-CB 3.25Å; C251-S255 WeakPolarHBondContact O-CB 3.21Å; C251-S255 PolarHBondContact O-N 2.98Å |
| 252 | A | 87.4 | Confident | 82.7 | Confident | 59 Ų | 59 | 108.7 Ų | 108.7 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R248 Q249 S255 L256 | R248-A252 PolarHBondContact O-N 3.42Å; Q249-A252 WeakPolarHBondContact O-CB 3.33Å; Q249-A252 PolarHBondContact O-N 2.9Å; Q249-A252 VanDerWaalsContact O-N 3.08Å; A252-S255 WeakPolarHBondContact O-CB 3.42Å; A252-S255 PolarHBondContact O-N 3.38Å; A252-L256 WeakPolarHBondContact O-CB 3.38Å; A252-L256 PolarHBondContact O-N 3.46Å |
| 253 | I | 87 | Confident | 83.9 | Confident | 94 Ų | 94 | 107.6 Ų | 107.6 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.8 | -80.3 | 149.6 | 0 | 0 | 0 | 111 | Q249 L256 L257 | Q249-I253 PolarHBondContact O-N 2.86Å; I253-L256 PolarHBondContact O-N 3.08Å; I253-L257 WeakPolarHBondContact O-CB 3.49Å; I253-L257 PolarHBondContact O-N 2.91Å |
| 254 | F | 90.2 | Very high | 85.6 | Confident | 126 Ų | 126 | 107.5 Ų | 107.5 | 55% | 0.553 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 177.9 | -171.6 | -103.2 | 0 | 0 | 0 | 112 | W250 C251 L257 I258 | W250-F254 WeakPolarHBondContact O-CB 3.46Å; W250-F254 PolarHBondContact O-N 3.29Å; C251-F254 PolarHBondContact O-N 2.9Å; F254-L257 PolarHBondContact O-N 2.84Å; F254-I258 HydrophobicContact CD1-CD1 3.61Å; F254-I258 HydrophobicContact CD1-CG1 4.5Å; F254-I258 HydrophobicContact CE1-CD1 3.33Å; F254-I258 HydrophobicContact CE1-CG1 4.29Å; F254-I258 HydrophobicContact CG-CD1 4.48Å; F254-I258 HydrophobicContact CZ-CD1 3.99Å; F254-I258 WeakPolarHBondContact O-CG1 3.25Å; F254-I258 PolarHBondContact O-N 3.34Å |
| 255 | S | 90.8 | Very high | 87.2 | Confident | 67 Ų | 67 | 107.5 Ų | 107.5 | 47% | 0.469 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 173.3 | 163.1 | 0 | 0 | 0 | 0 | 111.8 | C251 A252 L257 I258 T259 | C251-S255 VanDerWaalsContact O-CB 3.25Å; C251-S255 WeakPolarHBondContact O-CB 3.21Å; C251-S255 PolarHBondContact O-N 2.98Å; A252-S255 WeakPolarHBondContact O-CB 3.42Å; A252-S255 PolarHBondContact O-N 3.38Å; S255-L257 VanDerWaalsContact C-N 3.32Å; S255-L257 PolarHBondContact O-N 3.14Å; S255-I258 PolarHBondContact O-N 3.02Å; S255-T259 PolarHBondContact O-N 3.29Å; S255-T259 PolarHBondContact O-OG1 3.48Å; S255-T259 VanDerWaalsContact O-OG1 3.14Å |
| 256 | L | 91.3 | Very high | 88.7 | Confident | 124 Ų | 124 | 109.6 Ų | 109.6 | 65% | 0.649 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.4 | -38.9 | -179.1 | -140.7 | 166.3 | 0 | 0 | 0 | 110.9 | A252 I253 T259 L260 | A252-L256 WeakPolarHBondContact O-CB 3.38Å; A252-L256 PolarHBondContact O-N 3.46Å; I253-L256 PolarHBondContact O-N 3.08Å; L256-T259 PolarHBondContact O-N 3.33Å; L256-L260 WeakPolarHBondContact O-CB 3.33Å; L256-L260 PolarHBondContact O-N 3.32Å |
| 257 | L | 93.8 | Very high | 89.6 | Confident | 99 Ų | 99 | 112.5 Ų | 112.5 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65 | -39.2 | 175.7 | -167.5 | 136.1 | 0 | 0 | 0 | 112.2 | I253 F254 S255 L260 L261 | I253-L257 WeakPolarHBondContact O-CB 3.49Å; I253-L257 PolarHBondContact O-N 2.91Å; F254-L257 PolarHBondContact O-N 2.84Å; S255-L257 VanDerWaalsContact C-N 3.32Å; S255-L257 PolarHBondContact O-N 3.14Å; L257-L260 PolarHBondContact O-N 2.96Å; L257-L261 WeakPolarHBondContact O-CB 3.43Å; L257-L261 PolarHBondContact O-N 3.47Å |
| 258 | I | 95.1 | Very high | 90.3 | Very high | 80 Ų | 80 | 105.1 Ų | 105.1 | 41% | 0.41 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -48.5 | 172.2 | -72.9 | 165.7 | 0 | 0 | 0 | 110.8 | F254 S255 L260 L261 V262 | F254-I258 HydrophobicContact CD1-CD1 3.61Å; F254-I258 HydrophobicContact CD1-CG1 4.5Å; F254-I258 HydrophobicContact CE1-CD1 3.33Å; F254-I258 HydrophobicContact CE1-CG1 4.29Å; F254-I258 HydrophobicContact CG-CD1 4.48Å; F254-I258 HydrophobicContact CZ-CD1 3.99Å; F254-I258 WeakPolarHBondContact O-CG1 3.25Å; F254-I258 PolarHBondContact O-N 3.34Å; S255-I258 PolarHBondContact O-N 3.02Å; I258-L260 VanDerWaalsContact C-N 3.32Å; I258-L260 PolarHBondContact O-N 2.92Å; I258-L261 PolarHBondContact O-N 3.46Å; I258-L261 VanDerWaalsContact O-N 3.15Å; I258-V262 WeakPolarHBondContact O-CG2 3.37Å; I258-V262 PolarHBondContact O-N 3.06Å |
| 259 | T | 93 | Very high | 90.6 | Very high | 75 Ų | 75 | 101.3 Ų | 101.3 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 179.3 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | S255 L256 L261 V262 I263 | S255-T259 PolarHBondContact O-N 3.29Å; S255-T259 PolarHBondContact O-OG1 3.48Å; S255-T259 VanDerWaalsContact O-OG1 3.14Å; L256-T259 PolarHBondContact O-N 3.33Å; T259-L261 VanDerWaalsContact C-N 3.33Å; T259-L261 PolarHBondContact O-N 3.27Å; T259-V262 PolarHBondContact O-N 2.95Å; T259-I263 HydrophobicContact CG2-CD1 4.28Å; T259-I263 WeakPolarHBondContact O-CG1 3.41Å; T259-I263 PolarHBondContact O-N 3.32Å |
| 260 | L | 93 | Very high | 90.4 | Very high | 99 Ų | 99 | 107 Ų | 107 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.2 | -43.9 | 174 | -176.3 | 77 | 0 | 0 | 0 | 111.6 | L256 L257 I258 I263 L264 | L256-L260 WeakPolarHBondContact O-CB 3.33Å; L256-L260 PolarHBondContact O-N 3.32Å; L257-L260 PolarHBondContact O-N 2.96Å; I258-L260 VanDerWaalsContact C-N 3.32Å; I258-L260 PolarHBondContact O-N 2.92Å; L260-I263 PolarHBondContact O-N 3.5Å; L260-L264 HydrophobicContact CG-CD1 4.39Å; L260-L264 PolarHBondContact O-N 3.42Å |
| 261 | L | 94.8 | Very high | 90.8 | Very high | 91 Ų | 91 | 103.9 Ų | 103.9 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -39.6 | 179.6 | -168.1 | 147.1 | 0 | 0 | 0 | 111.6 | L257 I258 T259 L264 I265 | L257-L261 WeakPolarHBondContact O-CB 3.43Å; L257-L261 PolarHBondContact O-N 3.47Å; I258-L261 PolarHBondContact O-N 3.46Å; I258-L261 VanDerWaalsContact O-N 3.15Å; T259-L261 VanDerWaalsContact C-N 3.33Å; T259-L261 PolarHBondContact O-N 3.27Å; L261-L264 PolarHBondContact O-N 2.92Å; L261-I265 HydrophobicContact CD2-CD1 3.48Å; L261-I265 VanDerWaalsContact CD2-CD1 3.48Å; L261-I265 HydrophobicContact CD2-CG1 4.2Å; L261-I265 WeakPolarHBondContact O-CG1 3.5Å; L261-I265 PolarHBondContact O-N 3.4Å |
| 262 | V | 95.2 | Very high | 91.3 | Very high | 88 Ų | 88 | 104.6 Ų | 104.6 | 53% | 0.533 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.5 | -43.9 | 173.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | I258 T259 L264 I265 L266 | I258-V262 WeakPolarHBondContact O-CG2 3.37Å; I258-V262 PolarHBondContact O-N 3.06Å; T259-V262 PolarHBondContact O-N 2.95Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 3.34Å; V262-I265 PolarHBondContact O-N 2.93Å; V262-L266 WeakPolarHBondContact O-CB 3.43Å; V262-L266 PolarHBondContact O-N 3.15Å |
| 263 | I | 94.2 | Very high | 91.5 | Very high | 101 Ų | 101 | 107.1 Ų | 107.1 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.7 | -42.5 | 177.2 | -67.8 | 166.6 | 0 | 0 | 0 | 110.8 | T259 L260 L266 F267 | T259-I263 HydrophobicContact CG2-CD1 4.28Å; T259-I263 WeakPolarHBondContact O-CG1 3.41Å; T259-I263 PolarHBondContact O-N 3.32Å; L260-I263 PolarHBondContact O-N 3.5Å; I263-L266 PolarHBondContact O-N 3.16Å; I263-F267 WeakPolarHBondContact O-CB 3.4Å; I263-F267 PolarHBondContact O-N 2.97Å |
| 264 | L | 93.9 | Very high | 91.8 | Very high | 109 Ų | 109 | 107.9 Ų | 107.9 | 57% | 0.571 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.6 | -40.5 | 176.6 | -78.9 | 170.3 | 0 | 0 | 0 | 112.6 | L260 L261 V262 F267 G268 | L260-L264 HydrophobicContact CG-CD1 4.39Å; L260-L264 PolarHBondContact O-N 3.42Å; L261-L264 PolarHBondContact O-N 2.92Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 3.34Å; L264-F267 PolarHBondContact O-N 3.27Å; L264-G268 PolarHBondContact O-N 2.92Å |
| 265 | I | 95.4 | Very high | 91.9 | Very high | 92 Ų | 92 | 106.8 Ų | 106.8 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -46.9 | 174.5 | -71.7 | 174.6 | 0 | 0 | 0 | 110.1 | L261 V262 F267 G268 I269 | L261-I265 HydrophobicContact CD2-CD1 3.48Å; L261-I265 VanDerWaalsContact CD2-CD1 3.48Å; L261-I265 HydrophobicContact CD2-CG1 4.2Å; L261-I265 WeakPolarHBondContact O-CG1 3.5Å; L261-I265 PolarHBondContact O-N 3.4Å; V262-I265 PolarHBondContact O-N 2.93Å; I265-F267 VanDerWaalsContact C-N 3.3Å; I265-F267 PolarHBondContact O-N 2.81Å; I265-G268 PolarHBondContact O-N 3.42Å; I265-I269 HydrophobicContact CG2-CD1 3.47Å; I265-I269 VanDerWaalsContact CG2-CD1 3.47Å; I265-I269 HydrophobicContact CG2-CG1 4.31Å; I265-I269 WeakPolarHBondContact O-CB 3.35Å; I265-I269 WeakPolarHBondContact O-CD1 3.41Å; I265-I269 WeakPolarHBondContact O-CG1 3.37Å; I265-I269 PolarHBondContact O-N 2.89Å |
| 266 | L | 93.2 | Very high | 91.9 | Very high | 127 Ų | 127 | 109.4 Ų | 109.4 | 67% | 0.665 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.3 | -45.1 | 178 | -171.2 | 81.9 | 0 | 0 | 0 | 111 | V262 I263 L270 | V262-L266 WeakPolarHBondContact O-CB 3.43Å; V262-L266 PolarHBondContact O-N 3.15Å; I263-L266 PolarHBondContact O-N 3.16Å; L266-L270 WeakPolarHBondContact O-CB 3.22Å; L266-L270 PolarHBondContact O-N 3.36Å; L266-L270 VanDerWaalsContact O-N 3.16Å |
| 267 | F | 93.9 | Very high | 92 | Very high | 156 Ų | 156 | 108.4 Ų | 108.4 | 68% | 0.684 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71 | -33.2 | 179 | -173.6 | -97.5 | 0 | 0 | 0 | 113.3 | I263 L264 I265 L270 | I263-F267 WeakPolarHBondContact O-CB 3.4Å; I263-F267 PolarHBondContact O-N 2.97Å; L264-F267 PolarHBondContact O-N 3.27Å; I265-F267 VanDerWaalsContact C-N 3.3Å; I265-F267 PolarHBondContact O-N 2.81Å; F267-L270 VanDerWaalsContact O-OXT 3.08Å |
| 268 | G | 91.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 109.1 Ų | 109.1 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.7 | -20.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | L264 I265 | L264-G268 PolarHBondContact O-N 2.92Å; I265-G268 PolarHBondContact O-N 3.42Å |
| 269 | I | 85.9 | Confident | 91.6 | Very high | 140 Ų | 140 | 111.5 Ų | 111.5 | 72% | 0.718 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -84.1 | -29.8 | 173.9 | -70.2 | 169.4 | 0 | 0 | 0 | 111.4 | I265 | I265-I269 HydrophobicContact CG2-CD1 3.47Å; I265-I269 VanDerWaalsContact CG2-CD1 3.47Å; I265-I269 HydrophobicContact CG2-CG1 4.31Å; I265-I269 WeakPolarHBondContact O-CB 3.35Å; I265-I269 WeakPolarHBondContact O-CD1 3.41Å; I265-I269 WeakPolarHBondContact O-CG1 3.37Å; I265-I269 PolarHBondContact O-N 2.89Å |
| 270 | L | 74.5 | Confident | 91.4 | Very high | 194 Ų | 194 | 114.8 Ų | 114.8 | 100% | 1.016 | 62% | 0.623 | S | S | * | * | trans | -80.5 | 0 | 178.3 | -171.5 | 70.2 | 0 | 0 | 0 | 111.7 | L266 F267 | L266-L270 WeakPolarHBondContact O-CB 3.22Å; L266-L270 PolarHBondContact O-N 3.36Å; L266-L270 VanDerWaalsContact O-N 3.16Å; F267-L270 VanDerWaalsContact O-OXT 3.08Å |
Retrieved 270 of 270 residues in 63.7 ms
(Link to these results)