| 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 | 29.6 | Very low | 32.4 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 100% | 1.172 | 80% | 0.8 | S | S | * | * | 0 | 3.1 | 0 | -77.9 | -172.5 | 170.9 | 0 | 0 | 114.3 | A3 | M1-A3 PolarHBondContact O-N 3.44Š| |||
| 2 | A | 31.5 | Very low | 34.1 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 6.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 3 | A | 29.6 | Very low | 36.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 87% | 0.868 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -0.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | M1 | M1-A3 PolarHBondContact O-N 3.44Š|
| 4 | S | 29.1 | Very low | 39.1 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -107.6 | 15.2 | -178.9 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | R6 | S4-R6 PolarHBondContact O-N 3.47Å; S4-R6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | A | 31.6 | Very low | 41.6 | Very low | 89 Ų | 89 | 114.5 Ų | 114.5 | 74% | 0.736 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -81.6 | 90.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 6 | R | 29.3 | Very low | 44 | Very low | 216 Ų | 216 | 112.5 Ų | 112.5 | 82% | 0.815 | 63% | 0.627 | S | S | * | * | trans | 63.6 | 95.7 | 146.1 | -58.5 | 178.7 | -179.9 | 177.7 | -0.5 | 116.8 | S4 I8 | S4-R6 PolarHBondContact O-N 3.47Å; S4-R6 VanDerWaalsContact O-N 3.1Å; R6-I8 HydrophobicContact CB-CG1 4.18Å; R6-I8 PolarHBondContact O-N 3.26Å | ||
| 7 | S | 25.8 | Very low | 46.4 | Very low | 111 Ų | 111 | 105.9 Ų | 105.9 | 78% | 0.776 | 59% | 0.591 | S | S | * | * | trans | -58.9 | 94.7 | 134.1 | 55.6 | 0 | 0 | 0 | 0 | 107.2 | D9 | S7-D9 PolarHBondContact O-N 3.37Å; S7-D9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | I | 31.5 | Very low | 48.5 | Very low | 105 Ų | 105 | 103.4 Ų | 103.4 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | trans | -63 | 112.8 | 163 | -63.9 | 172.5 | 0 | 0 | 0 | 104.4 | R6 Y10 | R6-I8 HydrophobicContact CB-CG1 4.18Å; R6-I8 PolarHBondContact O-N 3.26Å; I8-Y10 VanDerWaalsContact C-N 3.31Å; I8-Y10 HydrophobicContact CB-CE2 4.23Å; I8-Y10 WeakPolarHBondContact O-CD2 3.45Å; I8-Y10 PolarHBondContact O-N 3.49Å | ||
| 9 | D | 31.8 | Very low | 50.4 | Low | 134 Ų | 134 | 97.9 Ų | 97.9 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | trans | -57.9 | 99.8 | 168.4 | -74.5 | -37.5 | 0 | 0 | 0 | 107 | S7 F11 | S7-D9 PolarHBondContact O-N 3.37Å; S7-D9 VanDerWaalsContact O-N 3.12Å; D9-F11 PolarHBondContact O-N 2.7Å; D9-F11 VanDerWaalsContact O-N 3.07Å | ||
| 10 | Y | 40 | Very low | 51.7 | Low | 181 Ų | 181 | 93.3 Ų | 93.3 | 71% | 0.71 | 52% | 0.515 | S | S | * | . | trans | -72.8 | 102.1 | 174.2 | -76.9 | -90.2 | 0 | 0 | 0 | 106.7 | I8 | I8-Y10 VanDerWaalsContact C-N 3.31Å; I8-Y10 HydrophobicContact CB-CE2 4.23Å; I8-Y10 WeakPolarHBondContact O-CD2 3.45Å; I8-Y10 PolarHBondContact O-N 3.49Å | ||
| 11 | F | 46.2 | Very low | 52.7 | Low | 182 Ų | 182 | 89 Ų | 89 | 80% | 0.798 | 49% | 0.491 | S | S | * | . | trans | -50.2 | 146.7 | 165 | -73 | -89.8 | 0 | 0 | 0 | 109.7 | D9 A13 | D9-F11 PolarHBondContact O-N 2.7Å; D9-F11 VanDerWaalsContact O-N 3.07Å; F11-A13 PolarHBondContact O-N 3.49Å | ||
| 12 | P | 53.2 | Low | 54.5 | Low | 83 Ų | 83 | 81.8 Ų | 81.8 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | trans | -50.8 | 137.7 | 171.9 | 21.6 | -32 | 0 | 0 | 0 | 109.5 | E14 | P12-E14 PolarHBondContact O-N 2.96Š| ||
| 13 | A | 65.5 | Low | 56 | Low | 17 Ų | 17 | 80.4 Ų | 80.4 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | trans | -61.4 | 108.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F11 C73 L84 | F11-A13 PolarHBondContact O-N 3.49Å; A13-C73 PolarHBondContact O-N 2.98Å; A13-L84 HydrophobicContact CB-CD2 3.87Å | ||
| 14 | E | 72.6 | Confident | 57.4 | Low | 38 Ų | 38 | 78.7 Ų | 78.7 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.5 | 178.9 | 178.7 | -170 | 154 | 0 | 0 | 109.3 | P12 Q16 R70 M71 F81 Q115 | P12-E14 PolarHBondContact O-N 2.96Å; E14-Q16 HydrophobicContact CG-CG 4.47Å; E14-Q16 WeakPolarHBondContact OE1-CG 3.48Å; E14-Q16 PolarHBondContact OE1-NE2 2.95Å; E14-R70 HydrophobicContact CG-CG 3.94Å; E14-R70 WeakPolarHBondContact OE1-CD 3.31Å; E14-R70 WeakPolarHBondContact OE1-CG 3.49Å; E14-R70 IonicContact OE1-CZ 2.69Å; E14-R70 IonicContact OE1-NE 3.39Å; E14-R70 PolarHBondContact OE1-NE 3.49Å; E14-R70 IonicContact OE1-NH2 2.65Å; E14-R70 IonicContact OE2-CZ 2.85Å; E14-R70 IonicContact OE2-NE 2.97Å; E14-R70 PolarHBondContact OE2-NE 2.91Å; E14-R70 IonicContact OE2-NH2 2.66Å; E14-R70 PolarHBondContact OE2-NH2 2.81Å; E14-M71 WeakPolarHBondContact CA-O 3.33Å; E14-F81 WeakPolarHBondContact O-CE2 3.46Å; E14-Q115 PolarHBondContact O-NE2 3.43Å; E14-Q115 PolarHBondContact O-OE1 3.14Å; E14-Q115 VanDerWaalsContact O-OE1 3.11Å |
| 15 | L | 76.9 | Confident | 58.6 | Low | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.2 | 171.4 | -70.2 | 167.8 | 0 | 0 | 0 | 110.2 | R70 M71 F81 L84 L85 F88 L113 | L15-R70 CarbonylContact O-C 3.56Å; L15-R70 WeakPolarHBondContact O-CA 3.32Å; L15-M71 HydrophobicContact CB-CB 4.24Å; L15-M71 PolarHBondContact N-O 2.89Å; L15-M71 PolarHBondContact O-N 3.19Å; L15-F81 HydrophobicContact CD2-CD2 4.23Å; L15-F81 HydrophobicContact CD2-CE1 4.11Å; L15-F81 HydrophobicContact CD2-CE2 3.45Å; L15-F81 VanDerWaalsContact CD2-CE2 3.45Å; L15-F81 HydrophobicContact CD2-CZ 3.36Å; L15-F81 HydrophobicContact CG-CE2 4.3Å; L15-L84 HydrophobicContact CD1-CD2 3.88Å; L15-L84 HydrophobicContact CD1-CG 3.8Å; L15-L84 HydrophobicContact CG-CD2 4.03Å; L15-L84 HydrophobicContact CG-CG 4.42Å; L15-L85 HydrophobicContact CD2-CB 4.36Å; L15-L85 HydrophobicContact CD2-CD1 3.89Å; L15-F88 HydrophobicContact CD1-CB 4.42Å; L15-L113 HydrophobicContact CD2-CD2 4.42Å |
| 16 | Q | 80.3 | Confident | 60 | Low | 82 Ų | 82 | 80.5 Ų | 80.5 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.1 | 168.3 | -64.1 | 179.2 | -3 | 0 | 0 | 110.1 | E14 C114 Q115 | E14-Q16 HydrophobicContact CG-CG 4.47Å; E14-Q16 WeakPolarHBondContact OE1-CG 3.48Å; E14-Q16 PolarHBondContact OE1-NE2 2.95Å; Q16-C114 HydrophobicContact CB-CB 4.15Å; Q16-C114 PolarHBondContact O-N 3.34Å; Q16-Q115 HydrophobicContact CB-CG 3.95Å; Q16-Q115 HydrophobicContact CG-CG 4.22Å |
| 17 | M | 84.2 | Confident | 61.9 | Low | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148.6 | -178.7 | -65.4 | 178.8 | -74.2 | 0 | 0 | 110.6 | F19 F68 V69 M71 F88 F111 E112 L113 | M17-F19 HydrophobicContact CB-CD2 4.17Å; M17-F19 HydrophobicContact CB-CE2 3.8Å; M17-F19 HydrophobicContact CE-CE2 3.93Å; M17-F19 HydrophobicContact CE-CZ 4.28Å; M17-F19 HydrophobicContact SD-CE2 4.05Å; M17-F19 HydrophobicContact SD-CZ 4.21Å; M17-F68 WeakPolarHBondContact O-CA 3.36Å; M17-V69 HydrophobicContact CB-CB 4.47Å; M17-V69 HydrophobicContact CE-CG1 4.15Å; M17-V69 PolarHBondContact N-O 3.11Å; M17-V69 PolarHBondContact O-N 2.75Å; M17-M71 HydrophobicContact CE-CG 3.55Å; M17-M71 HydrophobicContact CE-SD 3.19Å; M17-M71 WeakPolarHBondContact CE-SD 3.4Å; M17-F88 HydrophobicContact CE-CE2 3.91Å; M17-F88 HydrophobicContact CE-CZ 3.92Å; M17-F88 HydrophobicContact SD-CD1 4.46Å; M17-F88 HydrophobicContact SD-CE1 3.79Å; M17-F88 HydrophobicContact SD-CE2 4.17Å; M17-F88 HydrophobicContact SD-CZ 3.62Å; M17-F111 HydrophobicContact CG-CD2 4.15Å; M17-F111 HydrophobicContact SD-CD2 3.78Å; M17-F111 HydrophobicContact SD-CE2 4.08Å; M17-F111 HydrophobicContact SD-CG 4.32Å; M17-E112 CarbonylContact C-O 3.56Å; M17-E112 VanDerWaalsContact CA-O 3.28Å; M17-E112 WeakPolarHBondContact CA-O 3.37Å; M17-L113 HydrophobicContact CG-CD2 3.97Å |
| 18 | R | 84 | Confident | 63.8 | Low | 60 Ų | 60 | 70.2 Ų | 70.2 | 23% | 0.226 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 110.2 | 167.6 | 177.8 | -170.1 | -66.4 | 152 | -2.1 | 108.1 | K66 L67 F68 F111 E112 C114 | R18-K66 HydrophobicContact CG-CB 4.07Å; R18-K66 HydrophobicContact CG-CG 4.31Å; R18-L67 CarbonylContact C-O 3.58Å; R18-L67 WeakPolarHBondContact CA-O 3.38Å; R18-F68 HydrophobicContact CB-CD1 4.37Å; R18-F68 HydrophobicContact CB-CE1 4.3Å; R18-F68 HydrophobicContact CG-CE1 4.4Å; R18-F111 CarbonylContact O-C 3.58Å; R18-F111 VanDerWaalsContact O-CA 3.27Å; R18-F111 WeakPolarHBondContact O-CA 3.36Å; R18-E112 HydrophobicContact CB-CB 4.41Å; R18-E112 IonicContact CZ-OE2 3.25Å; R18-E112 PolarHBondContact N-O 3.02Å; R18-E112 IonicContact NE-OE2 3.22Å; R18-E112 IonicContact NH1-OE2 3Å; R18-E112 PolarHBondContact NH1-OE2 3.07Å; R18-E112 PolarHBondContact O-N 3.35Å; R18-C114 VanDerWaalsContact CB-SG 3.52Å |
| 19 | F | 84.2 | Confident | 65.7 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 141.4 | 172.9 | -76.8 | -97.3 | 0 | 0 | 0 | 110.4 | M17 L35 L39 K66 L67 V69 F88 W92 L109 F110 F111 | M17-F19 HydrophobicContact CB-CD2 4.17Å; M17-F19 HydrophobicContact CB-CE2 3.8Å; M17-F19 HydrophobicContact CE-CE2 3.93Å; M17-F19 HydrophobicContact CE-CZ 4.28Å; M17-F19 HydrophobicContact SD-CE2 4.05Å; M17-F19 HydrophobicContact SD-CZ 4.21Å; F19-L35 HydrophobicContact CB-CD2 3.81Å; F19-L35 HydrophobicContact CD1-CD1 3.74Å; F19-L35 HydrophobicContact CD1-CD2 4.39Å; F19-L35 HydrophobicContact CD2-CD1 4.48Å; F19-L35 HydrophobicContact CD2-CD2 4.07Å; F19-L35 HydrophobicContact CE1-CD1 3.96Å; F19-L35 HydrophobicContact CG-CD1 4Å; F19-L35 HydrophobicContact CG-CD2 3.82Å; F19-L35 HydrophobicContact CZ-CD1 4.42Å; F19-L39 HydrophobicContact CZ-CD2 4.15Å; F19-K66 CarbonylContact O-C 3.6Å; F19-K66 WeakPolarHBondContact O-CA 3.47Å; F19-L67 HydrophobicContact CB-CB 4.21Å; F19-L67 PolarHBondContact N-O 3.37Å; F19-L67 PolarHBondContact O-N 3.41Å; F19-V69 HydrophobicContact CD2-CB 3.73Å; F19-V69 HydrophobicContact CD2-CG2 3.27Å; F19-V69 HydrophobicContact CE2-CB 3.64Å; F19-V69 HydrophobicContact CE2-CG1 4.08Å; F19-V69 HydrophobicContact CE2-CG2 3.55Å; F19-V69 HydrophobicContact CG-CG2 4.25Å; F19-F88 HydrophobicContact CZ-CZ 4.39Å; F19-W92 AromaticContact CE1-CH2 3.63Å; F19-W92 HydrophobicContact CE1-CH2 3.63Å; F19-W92 AromaticContact CE1-CZ2 3.64Å; F19-W92 HydrophobicContact CE1-CZ2 3.64Å; F19-W92 HydrophobicContact CE1-CZ3 4.39Å; F19-W92 HydrophobicContact CZ-CH2 4.25Å; F19-W92 HydrophobicContact CZ-CZ2 4.48Å; F19-L109 HydrophobicContact CB-CD1 4.43Å; F19-L109 HydrophobicContact CD1-CD1 3.91Å; F19-L109 HydrophobicContact CD1-CD2 4.05Å; F19-L109 HydrophobicContact CD1-CG 3.78Å; F19-L109 HydrophobicContact CE1-CD2 4.2Å; F19-L109 HydrophobicContact CE1-CG 4.26Å; F19-F110 CarbonylContact C-O 3.58Å; F19-F110 VanDerWaalsContact CA-O 3.27Å; F19-F110 WeakPolarHBondContact CA-O 3.45Å; F19-F111 HydrophobicContact CD1-CB 3.77Å; F19-F111 HydrophobicContact CD2-CB 4.12Å; F19-F111 HydrophobicContact CE1-CB 3.73Å; F19-F111 HydrophobicContact CE1-CD1 4.22Å; F19-F111 HydrophobicContact CE1-CG 4.26Å; F19-F111 HydrophobicContact CE2-CB 4.09Å; F19-F111 HydrophobicContact CG-CB 3.99Å; F19-F111 HydrophobicContact CZ-CB 3.91Å; F19-F111 HydrophobicContact CZ-CD1 4.47Å; F19-F111 HydrophobicContact CZ-CG 4.28Å |
| 20 | I | 77.3 | Confident | 67.7 | Low | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.2 | 177.3 | -49.7 | 178.7 | 0 | 0 | 0 | 108.5 | T64 Y65 K66 F110 I143 Y288 | I20-T64 HydrophobicContact CG2-CG2 4.5Å; I20-Y65 WeakPolarHBondContact CA-O 3.27Å; I20-K66 HydrophobicContact CG1-CG 4.44Å; I20-F110 PolarHBondContact N-O 2.91Å; I20-F110 PolarHBondContact O-N 3.39Å; I20-I143 HydrophobicContact CB-CD1 4.08Å; I20-I143 HydrophobicContact CG2-CD1 3.36Å; I20-Y288 HydrophobicContact CD1-CD1 3.68Å; I20-Y288 HydrophobicContact CD1-CE1 3.1Å; I20-Y288 HydrophobicContact CD1-CE2 4.45Å; I20-Y288 HydrophobicContact CG1-CE1 4.42Å |
| 21 | C | 72.7 | Confident | 69.3 | Low | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.8 | 179.9 | -56 | 0 | 0 | 0 | 0 | 109.9 | L31 T64 Y65 L109 | C21-L31 HydrophobicContact CB-CD2 4.28Å; C21-T64 CarbonylContact O-C 3.5Å; C21-T64 WeakPolarHBondContact O-CA 3.46Å; C21-Y65 PolarHBondContact N-O 3.43Å; C21-Y65 PolarHBondContact O-N 3.06Å; C21-L109 WeakPolarHBondContact SG-CD1 3.4Å |
| 22 | R | 67.8 | Low | 70.8 | Confident | 87 Ų | 87 | 50 Ų | 50 | 33% | 0.328 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 143.9 | 171.5 | -174.9 | 175.2 | 171.7 | 174 | 2.4 | 111.3 | N24 | R22-N24 VanDerWaalsContact CD-OD1 3.31Å; R22-N24 WeakPolarHBondContact CD-OD1 3.29Å; R22-N24 WeakPolarHBondContact CG-OD1 3.28Å; R22-N24 PolarHBondContact NE-OD1 3.34Å; R22-N24 PolarHBondContact O-N 3.43Å |
| 23 | Q | 62.2 | Low | 72 | Confident | 79 Ų | 79 | 47.7 Ų | 47.7 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | trans | -80.4 | 93 | 169.7 | -178.7 | 169.1 | 18.4 | 0 | 0 | 110.5 | D63 Y65 | Q23-D63 WeakPolarHBondContact CB-O 3.29Å; Q23-D63 PolarHBondContact N-O 3.48Å; Q23-Y65 HydrophobicContact CB-CD2 4.05Å; Q23-Y65 HydrophobicContact CB-CE2 3.84Å; Q23-Y65 HydrophobicContact CG-CD2 4.45Å; Q23-Y65 HydrophobicContact CG-CE2 3.74Å | ||
| 24 | N | 58.4 | Low | 72.6 | Confident | 68 Ų | 68 | 48 Ų | 48 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -113.8 | 65.7 | 175.3 | -77.5 | -15.2 | 0 | 0 | 0 | 110.9 | R22 R26 | R22-N24 VanDerWaalsContact CD-OD1 3.31Å; R22-N24 WeakPolarHBondContact CD-OD1 3.29Å; R22-N24 WeakPolarHBondContact CG-OD1 3.28Å; R22-N24 PolarHBondContact NE-OD1 3.34Å; R22-N24 PolarHBondContact O-N 3.43Å; N24-R26 VanDerWaalsContact C-N 3.25Å; N24-R26 PolarHBondContact O-N 3.05Å; N24-R26 VanDerWaalsContact O-N 3.16Å |
| 25 | S | 54.7 | Low | 73.1 | Confident | 129 Ų | 129 | 46.2 Ų | 46.2 | 90% | 0.902 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 69 | -7.4 | -179.9 | 73.5 | 0 | 0 | 0 | 0 | 118.4 | ||
| 26 | R | 61.8 | Low | 73.4 | Confident | 109 Ų | 109 | 51.2 Ų | 51.2 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | trans | -82.5 | 141.2 | 175.3 | -64.8 | 176.6 | 178 | 178.3 | -5.6 | 111.5 | N24 A30 L31 M34 E107 | N24-R26 VanDerWaalsContact C-N 3.25Å; N24-R26 PolarHBondContact O-N 3.05Å; N24-R26 VanDerWaalsContact O-N 3.16Å; R26-A30 HydrophobicContact CB-CB 4.25Å; R26-L31 HydrophobicContact CB-CD2 4.2Å; R26-L31 HydrophobicContact CB-CG 4.07Å; R26-M34 PolarHBondContact NH1-SD 3.05Å; R26-E107 IonicContact CZ-OE1 2.96Å; R26-E107 IonicContact NE-OE1 3.94Å; R26-E107 IonicContact NH1-OE1 3.87Å; R26-E107 PolarHBondContact NH1-OE1 2.85Å; R26-E107 VanDerWaalsContact NH1-OE1 3.14Å; R26-E107 IonicContact NH1-OE2 3.11Å; R26-E107 PolarHBondContact NH1-OE2 3.47Å | ||
| 27 | D | 68.3 | Low | 73.4 | Confident | 95 Ų | 95 | 53.2 Ų | 53.2 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | trans | -76.6 | 167.7 | 169.7 | 70.5 | 18.7 | 0 | 0 | 0 | 111.6 | V29 A30 L31 | D27-V29 PolarHBondContact O-N 3.18Å; D27-V29 PolarHBondContact OD1-N 2.84Å; D27-V29 VanDerWaalsContact OD1-N 3.14Å; D27-A30 PolarHBondContact O-N 3.02Å; D27-A30 WeakPolarHBondContact OD1-CB 3.11Å; D27-A30 PolarHBondContact OD1-N 3.32Å; D27-L31 WeakPolarHBondContact O-CG 3.37Å; D27-L31 PolarHBondContact O-N 3.12Å | ||
| 28 | G | 66.6 | Low | 73.2 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -26.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | C32 | G28-C32 PolarHBondContact O-N 3.4Å; G28-C32 VanDerWaalsContact O-N 3.09Å; G28-C32 PolarHBondContact O-SG 2.92Å |
| 29 | V | 70.6 | Confident | 73.3 | Confident | 112 Ų | 112 | 53.7 Ų | 53.7 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -75 | -45.1 | -179.4 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | D27 L31 C32 G33 | D27-V29 PolarHBondContact O-N 3.18Å; D27-V29 PolarHBondContact OD1-N 2.84Å; D27-V29 VanDerWaalsContact OD1-N 3.14Å; V29-L31 VanDerWaalsContact C-N 3.3Å; V29-L31 PolarHBondContact O-N 2.99Å; V29-C32 WeakPolarHBondContact O-CB 3.37Å; V29-C32 PolarHBondContact O-N 2.61Å; V29-G33 PolarHBondContact O-N 3.36Å |
| 30 | A | 73.5 | Confident | 73.3 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R26 D27 G33 M34 | R26-A30 HydrophobicContact CB-CB 4.25Å; D27-A30 PolarHBondContact O-N 3.02Å; D27-A30 WeakPolarHBondContact OD1-CB 3.11Å; D27-A30 PolarHBondContact OD1-N 3.32Å; A30-G33 PolarHBondContact O-N 3.39Å; A30-M34 WeakPolarHBondContact O-CB 3.3Å; A30-M34 PolarHBondContact O-N 3.1Å |
| 31 | L | 74.2 | Confident | 73.5 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 175.5 | -70.2 | 171.5 | 0 | 0 | 0 | 112.4 | C21 R26 D27 V29 M34 L35 Y65 L67 | C21-L31 HydrophobicContact CB-CD2 4.28Å; R26-L31 HydrophobicContact CB-CD2 4.2Å; R26-L31 HydrophobicContact CB-CG 4.07Å; D27-L31 WeakPolarHBondContact O-CG 3.37Å; D27-L31 PolarHBondContact O-N 3.12Å; V29-L31 VanDerWaalsContact C-N 3.3Å; V29-L31 PolarHBondContact O-N 2.99Å; L31-M34 HydrophobicContact CD2-CE 4.04Å; L31-L35 WeakPolarHBondContact O-CB 3.17Å; L31-L35 PolarHBondContact O-N 3.41Å; L31-Y65 HydrophobicContact CD1-CD1 4.42Å; L31-Y65 HydrophobicContact CD1-CD2 3.21Å; L31-Y65 HydrophobicContact CD1-CE2 3.65Å; L31-Y65 HydrophobicContact CD1-CG 3.64Å; L31-L67 HydrophobicContact CB-CD1 4.08Å |
| 32 | C | 77.2 | Confident | 74 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 173 | -73.3 | 0 | 0 | 0 | 0 | 112.5 | G28 V29 L35 K36 V52 T54 | G28-C32 PolarHBondContact O-N 3.4Å; G28-C32 VanDerWaalsContact O-N 3.09Å; G28-C32 PolarHBondContact O-SG 2.92Å; V29-C32 WeakPolarHBondContact O-CB 3.37Å; V29-C32 PolarHBondContact O-N 2.61Å; C32-L35 PolarHBondContact O-N 3.03Å; C32-K36 WeakPolarHBondContact O-CG 3.13Å; C32-K36 PolarHBondContact O-N 2.8Å; C32-V52 HydrophobicContact CB-CG1 4.26Å; C32-T54 WeakPolarHBondContact SG-CG2 3.48Å |
| 33 | G | 78.5 | Confident | 74.8 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V29 A30 L35 K36 E37 | V29-G33 PolarHBondContact O-N 3.36Å; A30-G33 PolarHBondContact O-N 3.39Å; G33-L35 PolarHBondContact O-N 2.97Å; G33-K36 PolarHBondContact O-N 3.13Å; G33-E37 PolarHBondContact O-N 3.38Å |
| 34 | M | 79.6 | Confident | 75.8 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 175.3 | -178.5 | -164.3 | 68.6 | 0 | 0 | 112 | R26 A30 L31 K36 E37 Y38 E107 | R26-M34 PolarHBondContact NH1-SD 3.05Å; A30-M34 WeakPolarHBondContact O-CB 3.3Å; A30-M34 PolarHBondContact O-N 3.1Å; L31-M34 HydrophobicContact CD2-CE 4.04Å; M34-K36 VanDerWaalsContact C-N 3.34Å; M34-K36 PolarHBondContact O-N 2.84Å; M34-E37 PolarHBondContact O-N 3.09Å; M34-Y38 HydrophobicContact CE-CE2 4.3Å; M34-Y38 HydrophobicContact CG-CD2 3.73Å; M34-Y38 HydrophobicContact CG-CE2 3.42Å; M34-Y38 VanDerWaalsContact CG-CE2 3.42Å; M34-Y38 WeakPolarHBondContact O-CD2 3.49Å; M34-Y38 PolarHBondContact O-N 2.87Å; M34-Y38 VanDerWaalsContact O-N 3.08Å; M34-Y38 HydrophobicContact SD-CD2 4.42Å; M34-Y38 HydrophobicContact SD-CE2 3.76Å; M34-E107 WeakPolarHBondContact CE-OE2 3.4Å |
| 35 | L | 81.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | -179.2 | -177.7 | 56.5 | 0 | 0 | 0 | 112.2 | F19 L31 C32 G33 E37 Y38 L39 V52 L67 V69 L109 | F19-L35 HydrophobicContact CB-CD2 3.81Å; F19-L35 HydrophobicContact CD1-CD1 3.74Å; F19-L35 HydrophobicContact CD1-CD2 4.39Å; F19-L35 HydrophobicContact CD2-CD1 4.48Å; F19-L35 HydrophobicContact CD2-CD2 4.07Å; F19-L35 HydrophobicContact CE1-CD1 3.96Å; F19-L35 HydrophobicContact CG-CD1 4Å; F19-L35 HydrophobicContact CG-CD2 3.82Å; F19-L35 HydrophobicContact CZ-CD1 4.42Å; L31-L35 WeakPolarHBondContact O-CB 3.17Å; L31-L35 PolarHBondContact O-N 3.41Å; C32-L35 PolarHBondContact O-N 3.03Å; G33-L35 PolarHBondContact O-N 2.97Å; L35-E37 VanDerWaalsContact C-N 3.33Å; L35-E37 PolarHBondContact O-N 3.19Å; L35-Y38 PolarHBondContact O-N 3.32Å; L35-L39 HydrophobicContact CD1-CD1 4.11Å; L35-L39 HydrophobicContact CD1-CG 4.29Å; L35-L39 HydrophobicContact CG-CD1 3.97Å; L35-L39 WeakPolarHBondContact O-CG 3.11Å; L35-L39 PolarHBondContact O-N 2.93Å; L35-V52 HydrophobicContact CD2-CG1 4Å; L35-V52 HydrophobicContact CG-CG2 4.39Å; L35-L67 HydrophobicContact CB-CD1 4.43Å; L35-L67 HydrophobicContact CD2-CB 3.92Å; L35-L67 HydrophobicContact CD2-CD1 3.76Å; L35-V69 HydrophobicContact CD2-CG2 3.54Å; L35-V69 HydrophobicContact CG-CG2 4.29Å; L35-L109 HydrophobicContact CD1-CD1 4.22Å; L35-L109 HydrophobicContact CD1-CD2 3.59Å; L35-L109 HydrophobicContact CD1-CG 4.42Å |
| 36 | K | 83.3 | Confident | 78.2 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 173.8 | -75.1 | 178.5 | -179.9 | -178 | 0 | 111.6 | C32 G33 M34 Y38 L39 R40 V52 | C32-K36 WeakPolarHBondContact O-CG 3.13Å; C32-K36 PolarHBondContact O-N 2.8Å; G33-K36 PolarHBondContact O-N 3.13Å; M34-K36 VanDerWaalsContact C-N 3.34Å; M34-K36 PolarHBondContact O-N 2.84Å; K36-Y38 VanDerWaalsContact C-N 3.35Å; K36-Y38 PolarHBondContact O-N 3.4Å; K36-L39 PolarHBondContact O-N 3.15Å; K36-R40 WeakPolarHBondContact O-CG 3.41Å; K36-R40 PolarHBondContact O-N 3.33Å; K36-V52 HydrophobicContact CG-CB 4.02Å; K36-V52 HydrophobicContact CG-CG2 3.53Å |
| 37 | E | 81.5 | Confident | 79.1 | Confident | 123 Ų | 123 | 60 Ų | 60 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | 176.7 | -70 | -171.9 | 160.1 | 0 | 0 | 112.6 | G33 M34 L35 L39 R40 | G33-E37 PolarHBondContact O-N 3.38Å; M34-E37 PolarHBondContact O-N 3.09Å; L35-E37 VanDerWaalsContact C-N 3.33Å; L35-E37 PolarHBondContact O-N 3.19Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 3.33Å; E37-R40 PolarHBondContact O-N 3.01Å |
| 38 | Y | 79.6 | Confident | 79.8 | Confident | 71 Ų | 71 | 56 Ų | 56 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -30.1 | 176.2 | -81.3 | -65.3 | 0 | 0 | 0 | 113.8 | M34 L35 K36 P41 L109 | M34-Y38 HydrophobicContact CE-CE2 4.3Å; M34-Y38 HydrophobicContact CG-CD2 3.73Å; M34-Y38 HydrophobicContact CG-CE2 3.42Å; M34-Y38 VanDerWaalsContact CG-CE2 3.42Å; M34-Y38 WeakPolarHBondContact O-CD2 3.49Å; M34-Y38 PolarHBondContact O-N 2.87Å; M34-Y38 VanDerWaalsContact O-N 3.08Å; M34-Y38 HydrophobicContact SD-CD2 4.42Å; M34-Y38 HydrophobicContact SD-CE2 3.76Å; L35-Y38 PolarHBondContact O-N 3.32Å; K36-Y38 VanDerWaalsContact C-N 3.35Å; K36-Y38 PolarHBondContact O-N 3.4Å; Y38-P41 WeakPolarHBondContact O-CD 3.14Å; Y38-L109 HydrophobicContact CD2-CD2 4.47Å |
| 39 | L | 85.1 | Confident | 80.5 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -83.4 | -19.9 | -179.2 | -71.1 | 167.1 | 0 | 0 | 0 | 113.4 | F19 L35 K36 E37 P41 V42 E43 A50 V52 V69 F88 W92 | F19-L39 HydrophobicContact CZ-CD2 4.15Å; L35-L39 HydrophobicContact CD1-CD1 4.11Å; L35-L39 HydrophobicContact CD1-CG 4.29Å; L35-L39 HydrophobicContact CG-CD1 3.97Å; L35-L39 WeakPolarHBondContact O-CG 3.11Å; L35-L39 PolarHBondContact O-N 2.93Å; K36-L39 PolarHBondContact O-N 3.15Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 3.33Å; L39-P41 VanDerWaalsContact C-CD 3.47Å; L39-V42 CarbonylContact O-C 3.54Å; L39-V42 WeakPolarHBondContact O-CA 3.47Å; L39-V42 VanDerWaalsContact O-CB 3.25Å; L39-V42 WeakPolarHBondContact O-CB 3.36Å; L39-V42 PolarHBondContact O-N 3.19Å; L39-E43 PolarHBondContact O-N 3.07Å; L39-A50 HydrophobicContact CB-CB 4.35Å; L39-A50 HydrophobicContact CD1-CB 4.18Å; L39-V52 HydrophobicContact CD1-CG2 4.08Å; L39-V69 HydrophobicContact CD1-CG1 3.65Å; L39-V69 HydrophobicContact CD1-CG2 4.13Å; L39-F88 HydrophobicContact CD2-CE2 4.4Å; L39-W92 HydrophobicContact CD2-CE3 4.44Å; L39-W92 HydrophobicContact CD2-CH2 4.45Å; L39-W92 HydrophobicContact CD2-CZ3 3.75Å |
| 40 | R | 84 | Confident | 81.1 | Confident | 150 Ų | 150 | 51.4 Ų | 51.4 | 57% | 0.566 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -52.5 | -43.3 | -179.6 | -68.7 | -173.2 | -166.3 | 165.9 | 8.7 | 115 | K36 E37 V42 E43 K44 | K36-R40 WeakPolarHBondContact O-CG 3.41Å; K36-R40 PolarHBondContact O-N 3.33Å; E37-R40 PolarHBondContact O-N 3.01Å; R40-V42 PolarHBondContact O-N 3.42Å; R40-E43 PolarHBondContact O-N 2.87Å; R40-K44 PolarHBondContact O-N 2.77Å; R40-K44 VanDerWaalsContact O-N 3.07Å |
| 41 | P | 82.4 | Confident | 81.5 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -28.3 | 177 | -19.7 | 33.6 | 0 | 0 | 0 | 113 | Y38 L39 S45 L95 | Y38-P41 WeakPolarHBondContact O-CD 3.14Å; L39-P41 VanDerWaalsContact C-CD 3.47Å; P41-S45 VanDerWaalsContact O-CB 3.28Å; P41-S45 WeakPolarHBondContact O-CB 3.39Å; P41-S45 PolarHBondContact O-N 2.94Å; P41-S45 VanDerWaalsContact O-N 3.11Å; P41-S45 PolarHBondContact O-OG 3.49Å; P41-L95 HydrophobicContact CB-CD1 3.91Å; P41-L95 HydrophobicContact CB-CD2 3.48Å; P41-L95 VanDerWaalsContact CB-CD2 3.48Å; P41-L95 HydrophobicContact CB-CG 4.34Å; P41-L95 HydrophobicContact CG-CD1 4.45Å; P41-L95 HydrophobicContact CG-CD2 4.02Å |
| 42 | V | 83.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.3 | -48.6 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | L39 R40 K44 S45 L46 M71 F88 I91 W92 L95 | L39-V42 CarbonylContact O-C 3.54Å; L39-V42 WeakPolarHBondContact O-CA 3.47Å; L39-V42 VanDerWaalsContact O-CB 3.25Å; L39-V42 WeakPolarHBondContact O-CB 3.36Å; L39-V42 PolarHBondContact O-N 3.19Å; R40-V42 PolarHBondContact O-N 3.42Å; V42-K44 VanDerWaalsContact C-N 3.26Å; V42-K44 PolarHBondContact O-N 2.77Å; V42-S45 PolarHBondContact O-N 2.85Å; V42-L46 HydrophobicContact CG1-CD1 3.6Å; V42-L46 HydrophobicContact CG1-CG 4.22Å; V42-L46 WeakPolarHBondContact O-CB 3.21Å; V42-L46 PolarHBondContact O-N 3.22Å; V42-M71 HydrophobicContact CB-CE 4.33Å; V42-M71 HydrophobicContact CG1-CE 3.58Å; V42-F88 HydrophobicContact CG1-CD2 3.57Å; V42-F88 HydrophobicContact CG1-CE2 3.77Å; V42-I91 HydrophobicContact CB-CG2 4.46Å; V42-I91 HydrophobicContact CG1-CG2 4.47Å; V42-I91 HydrophobicContact CG2-CG2 4.15Å; V42-W92 HydrophobicContact CG2-CE3 3.93Å; V42-W92 HydrophobicContact CG2-CZ3 4.32Å; V42-L95 HydrophobicContact CG2-CD1 3.53Å |
| 43 | E | 84.7 | Confident | 81.5 | Confident | 54 Ų | 54 | 57 Ų | 57 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -51.3 | -47.8 | 174.8 | -69.6 | -179.4 | 132.9 | 0 | 0 | 111 | L39 R40 D47 V48 A50 | L39-E43 PolarHBondContact O-N 3.07Å; R40-E43 PolarHBondContact O-N 2.87Å; E43-D47 WeakPolarHBondContact O-CA 3.44Å; E43-D47 PolarHBondContact O-N 2.88Å; E43-V48 VanDerWaalsContact CA-O 3.28Å; E43-V48 WeakPolarHBondContact CA-O 3.47Å; E43-V48 VanDerWaalsContact CB-O 3.22Å; E43-V48 WeakPolarHBondContact CB-O 3.33Å; E43-V48 WeakPolarHBondContact CG-O 3.14Å; E43-V48 PolarHBondContact O-N 2.98Å; E43-A50 HydrophobicContact CG-CB 3.85Å; E43-A50 WeakPolarHBondContact OE1-CA 3.45Å; E43-A50 VanDerWaalsContact OE1-CB 3.28Å; E43-A50 WeakPolarHBondContact OE1-CB 3.33Å; E43-A50 PolarHBondContact OE1-N 2.9Å |
| 44 | K | 82.9 | Confident | 80.7 | Confident | 185 Ų | 185 | 59.7 Ų | 59.7 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.7 | -40.8 | -179.9 | -170.8 | 179.9 | -179.5 | -177.4 | 0 | 113.7 | R40 V42 | R40-K44 PolarHBondContact O-N 2.77Å; R40-K44 VanDerWaalsContact O-N 3.07Å; V42-K44 VanDerWaalsContact C-N 3.26Å; V42-K44 PolarHBondContact O-N 2.77Å |
| 45 | S | 82 | Confident | 79.5 | Confident | 75 Ų | 75 | 65 Ų | 65 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.9 | -32.2 | -175.9 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | P41 V42 | P41-S45 VanDerWaalsContact O-CB 3.28Å; P41-S45 WeakPolarHBondContact O-CB 3.39Å; P41-S45 PolarHBondContact O-N 2.94Å; P41-S45 VanDerWaalsContact O-N 3.11Å; P41-S45 PolarHBondContact O-OG 3.49Å; V42-S45 PolarHBondContact O-N 2.85Å |
| 46 | L | 81.2 | Confident | 77.9 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -95.3 | -11 | 179.8 | -69.9 | -180 | 0 | 0 | 0 | 114.2 | V42 V48 R79 L84 D87 F88 I91 | V42-L46 HydrophobicContact CG1-CD1 3.6Å; V42-L46 HydrophobicContact CG1-CG 4.22Å; V42-L46 WeakPolarHBondContact O-CB 3.21Å; V42-L46 PolarHBondContact O-N 3.22Å; L46-V48 HydrophobicContact CB-CB 4.46Å; L46-V48 HydrophobicContact CB-CG1 3.92Å; L46-V48 HydrophobicContact CB-CG2 3.76Å; L46-V48 HydrophobicContact CD1-CG2 4.41Å; L46-R79 PolarHBondContact O-NH1 2.94Å; L46-L84 HydrophobicContact CB-CD1 4.49Å; L46-L84 HydrophobicContact CD1-CD1 4.13Å; L46-L84 HydrophobicContact CD2-CD1 4.44Å; L46-D87 HydrophobicContact CD2-CB 3.37Å; L46-F88 HydrophobicContact CD1-CB 3.85Å; L46-F88 HydrophobicContact CD1-CD2 4.11Å; L46-F88 HydrophobicContact CD1-CG 4.5Å; L46-I91 HydrophobicContact CD1-CD1 4.34Å; L46-I91 HydrophobicContact CD2-CD1 3.31Å; L46-I91 HydrophobicContact CG-CD1 3.47Å; L46-I91 VanDerWaalsContact CG-CD1 3.47Å |
| 47 | D | 79.8 | Confident | 76 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 51% | 0.508 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 55.5 | -172.2 | -168.4 | 47.7 | 0 | 0 | 0 | 111.8 | E43 S75 | E43-D47 WeakPolarHBondContact O-CA 3.44Å; E43-D47 PolarHBondContact O-N 2.88Å; D47-S75 WeakPolarHBondContact OD2-CB 3.38Å; D47-S75 PolarHBondContact OD2-OG 3.42Å |
| 48 | V | 83.2 | Confident | 74.2 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.5 | -178.1 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | E43 L46 M71 V72 C73 L84 | E43-V48 VanDerWaalsContact CA-O 3.28Å; E43-V48 WeakPolarHBondContact CA-O 3.47Å; E43-V48 VanDerWaalsContact CB-O 3.22Å; E43-V48 WeakPolarHBondContact CB-O 3.33Å; E43-V48 WeakPolarHBondContact CG-O 3.14Å; E43-V48 PolarHBondContact O-N 2.98Å; L46-V48 HydrophobicContact CB-CB 4.46Å; L46-V48 HydrophobicContact CB-CG1 3.92Å; L46-V48 HydrophobicContact CB-CG2 3.76Å; L46-V48 HydrophobicContact CD1-CG2 4.41Å; V48-M71 HydrophobicContact CG2-CE 3.34Å; V48-V72 CarbonylContact C-O 3.52Å; V48-V72 VanDerWaalsContact CA-O 3.29Å; V48-V72 WeakPolarHBondContact CA-O 3.25Å; V48-V72 WeakPolarHBondContact CB-O 3.41Å; V48-C73 HydrophobicContact CG1-CB 3.97Å; V48-L84 HydrophobicContact CG1-CD1 3.85Å |
| 49 | S | 82.5 | Confident | 72.6 | Confident | 19 Ų | 19 | 64.5 Ų | 64.5 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.7 | 172.5 | 53 | 0 | 0 | 0 | 0 | 111.4 | M71 V72 E74 | S49-M71 CarbonylContact O-C 3.47Å; S49-M71 VanDerWaalsContact O-CA 3.29Å; S49-M71 WeakPolarHBondContact O-CA 3.45Å; S49-V72 PolarHBondContact N-O 3.08Å; S49-V72 PolarHBondContact O-N 3.41Å; S49-V72 PolarHBondContact OG-O 2.9Å; S49-E74 VanDerWaalsContact CB-OE1 3.25Å; S49-E74 WeakPolarHBondContact CB-OE1 3.23Å; S49-E74 PolarHBondContact OG-OE1 3.38Å |
| 50 | A | 83.7 | Confident | 70.6 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 12% | 0.116 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | L39 E43 V69 R70 M71 | L39-A50 HydrophobicContact CB-CB 4.35Å; L39-A50 HydrophobicContact CD1-CB 4.18Å; E43-A50 HydrophobicContact CG-CB 3.85Å; E43-A50 WeakPolarHBondContact OE1-CA 3.45Å; E43-A50 VanDerWaalsContact OE1-CB 3.28Å; E43-A50 WeakPolarHBondContact OE1-CB 3.33Å; E43-A50 PolarHBondContact OE1-N 2.9Å; A50-V69 HydrophobicContact CB-CG1 4.41Å; A50-R70 CarbonylContact C-O 3.51Å; A50-R70 WeakPolarHBondContact CA-O 3.48Å; A50-M71 HydrophobicContact CB-CG 4.13Å |
| 51 | H | 81.7 | Confident | 68.9 | Low | 107 Ų | 107 | 63.6 Ų | 63.6 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 112.7 | 174 | -58.7 | -60.5 | 0 | 0 | 0 | 110.7 | V69 R70 | H51-V69 WeakPolarHBondContact O-CA 3.4Å; H51-R70 HydrophobicContact CB-CB 4.37Å; H51-R70 PolarHBondContact N-O 2.99Å; H51-R70 PolarHBondContact O-N 3.37Å |
| 52 | V | 78.8 | Confident | 67.6 | Low | 20 Ų | 20 | 62.8 Ų | 62.8 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.7 | 175.2 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | C32 L35 K36 L39 F68 V69 | C32-V52 HydrophobicContact CB-CG1 4.26Å; L35-V52 HydrophobicContact CD2-CG1 4Å; L35-V52 HydrophobicContact CG-CG2 4.39Å; K36-V52 HydrophobicContact CG-CB 4.02Å; K36-V52 HydrophobicContact CG-CG2 3.53Å; L39-V52 HydrophobicContact CD1-CG2 4.08Å; V52-F68 WeakPolarHBondContact CA-O 3.03Å; V52-V69 HydrophobicContact CB-CG2 4.46Å; V52-V69 HydrophobicContact CG1-CG2 4.24Å; V52-V69 HydrophobicContact CG2-CG2 4.01Å |
| 53 | S | 71.2 | Confident | 66.6 | Low | 54 Ų | 54 | 64.3 Ų | 64.3 | 38% | 0.378 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.1 | 177.8 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | F68 | S53-F68 PolarHBondContact N-O 3.22Å; S53-F68 PolarHBondContact O-N 3.23Å; S53-F68 PolarHBondContact OG-O 3.08Å |
| 54 | T | 62.3 | Low | 65.7 | Low | 92 Ų | 92 | 62.9 Ų | 62.9 | 56% | 0.564 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.1 | 170.5 | 52.7 | 0 | 0 | 0 | 0 | 108.9 | C32 L67 | C32-T54 WeakPolarHBondContact SG-CG2 3.48Å; T54-L67 HydrophobicContact CG2-CD2 4.19Å |
| 55 | L | 54.5 | Low | 65 | Low | 134 Ų | 134 | 56.2 Ų | 56.2 | 70% | 0.702 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | -9.6 | 177.1 | -112.6 | 154.9 | 0 | 0 | 0 | 113.9 | F68 | L55-F68 HydrophobicContact CB-CD2 3.47Å; L55-F68 VanDerWaalsContact CB-CD2 3.47Å; L55-F68 HydrophobicContact CB-CE2 3.64Å; L55-F68 HydrophobicContact CB-CG 4.34Å |
| 56 | D | 48.5 | Very low | 64.6 | Low | 64 Ų | 64 | 55.4 Ų | 55.4 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 102.2 | 174.8 | -150.5 | 12.2 | 0 | 0 | 0 | 106.8 | G58 K66 F68 | D56-G58 PolarHBondContact O-N 3.32Å; D56-K66 HydrophobicContact CB-CB 4.16Å; D56-K66 WeakPolarHBondContact OD2-CD 3.37Å; D56-F68 HydrophobicContact CB-CE2 4.14Å |
| 57 | E | 42.7 | Very low | 64.5 | Low | 185 Ų | 185 | 55.4 Ų | 55.4 | 86% | 0.864 | 30% | 0.302 | S | S | * | . | trans | -58.1 | 94.4 | 148.9 | -72.9 | -178.4 | -177.9 | 0 | 0 | 103.3 | N59 | E57-N59 PolarHBondContact O-N 3.37Š| ||
| 58 | G | 43.8 | Very low | 64.6 | Low | 11 Ų | 11 | 53.2 Ų | 53.2 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | trans | -44.3 | 144.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | D56 S60 | D56-G58 PolarHBondContact O-N 3.32Å; G58-S60 WeakPolarHBondContact O-CA 3.2Å; G58-S60 PolarHBondContact O-N 3.38Å | ||
| 59 | N | 45.1 | Very low | 64.6 | Low | 31 Ų | 31 | 52.8 Ų | 52.8 | 17% | 0.166 | 29% | 0.286 | C | S | . | . | trans | -30.1 | 112.5 | 179.2 | -172 | 23.5 | 0 | 0 | 0 | 107.8 | E57 E61 N62 R1120 | E57-N59 PolarHBondContact O-N 3.37Å; N59-E61 PolarHBondContact ND2-OE2 3.26Å; N59-E61 CarbonylContact O-C 3.53Å; N59-E61 PolarHBondContact O-N 2.85Å; N59-E61 PolarHBondContact OD1-OE2 3.28Å; N59-N62 HydrophobicContact CB-CB 4.41Å; N59-N62 PolarHBondContact ND2-OD1 2.96Å; N59-N62 PolarHBondContact O-N 3.27Å; N59-R1120 PolarHBondContact ND2-NH2 3.15Å; N59-R1120 PolarHBondContact OD1-NH1 2.81Å; N59-R1120 PolarHBondContact OD1-NH2 3.24Å | ||
| 60 | S | 44.7 | Very low | 64.6 | Low | 97 Ų | 97 | 57.4 Ų | 57.4 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -12.5 | -168.4 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | G58 K376 | G58-S60 WeakPolarHBondContact O-CA 3.2Å; G58-S60 PolarHBondContact O-N 3.38Å; S60-K376 VanDerWaalsContact C-NZ 3.27Å; S60-K376 PolarHBondContact O-NZ 2.96Å |
| 61 | E | 48.3 | Very low | 64.6 | Low | 34 Ų | 34 | 56.8 Ų | 56.8 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -27.2 | 171.2 | -49.1 | -177.8 | 138.4 | 0 | 0 | 116.4 | N59 Y357 Y377 R1120 | N59-E61 PolarHBondContact ND2-OE2 3.26Å; N59-E61 CarbonylContact O-C 3.53Å; N59-E61 PolarHBondContact O-N 2.85Å; N59-E61 PolarHBondContact OD1-OE2 3.28Å; E61-Y357 PolarHBondContact OE1-OH 3.47Å; E61-Y377 VanDerWaalsContact CB-OH 3.25Å; E61-Y377 WeakPolarHBondContact CB-OH 3.38Å; E61-Y377 WeakPolarHBondContact CG-OH 3.33Å; E61-R1120 IonicContact OE2-NH2 3.94Å |
| 62 | N | 54 | Low | 64.5 | Low | 34 Ų | 34 | 52.9 Ų | 52.9 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -94.2 | 130.3 | 178.5 | -62.9 | 17.3 | 0 | 0 | 0 | 108.8 | N59 T64 Q366 | N59-N62 HydrophobicContact CB-CB 4.41Å; N59-N62 PolarHBondContact ND2-OD1 2.96Å; N59-N62 PolarHBondContact O-N 3.27Å; N62-T64 PolarHBondContact O-N 3.23Å; N62-Q366 PolarHBondContact OD1-OE1 3.2Å |
| 63 | D | 62.3 | Low | 64.4 | Low | 31 Ų | 31 | 52.4 Ų | 52.4 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -71.3 | 34.9 | 176.8 | -67.7 | -48.5 | 0 | 0 | 0 | 112.8 | Q23 F369 S372 S373 | Q23-D63 WeakPolarHBondContact CB-O 3.29Å; Q23-D63 PolarHBondContact N-O 3.48Å; D63-F369 VanDerWaalsContact OD2-CB 3.31Å; D63-F369 WeakPolarHBondContact OD2-CB 3.49Å; D63-F369 PolarHBondContact OD2-N 3.08Å; D63-S372 PolarHBondContact OD2-OG 3.49Å; D63-S373 PolarHBondContact OD2-OG 3.15Å |
| 64 | T | 66.4 | Low | 64.1 | Low | 24 Ų | 24 | 56.8 Ų | 56.8 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.4 | -173.9 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | I20 C21 N62 I143 | I20-T64 HydrophobicContact CG2-CG2 4.5Å; C21-T64 CarbonylContact O-C 3.5Å; C21-T64 WeakPolarHBondContact O-CA 3.46Å; N62-T64 PolarHBondContact O-N 3.23Å; T64-I143 HydrophobicContact CG2-CD1 4.36Å |
| 65 | Y | 69.3 | Low | 64.2 | Low | 45 Ų | 45 | 54.7 Ų | 54.7 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.2 | 171.2 | -78.1 | -82.8 | 0 | 0 | 0 | 111.1 | I20 C21 Q23 L31 | I20-Y65 WeakPolarHBondContact CA-O 3.27Å; C21-Y65 PolarHBondContact N-O 3.43Å; C21-Y65 PolarHBondContact O-N 3.06Å; Q23-Y65 HydrophobicContact CB-CD2 4.05Å; Q23-Y65 HydrophobicContact CB-CE2 3.84Å; Q23-Y65 HydrophobicContact CG-CD2 4.45Å; Q23-Y65 HydrophobicContact CG-CE2 3.74Å; L31-Y65 HydrophobicContact CD1-CD1 4.42Å; L31-Y65 HydrophobicContact CD1-CD2 3.21Å; L31-Y65 HydrophobicContact CD1-CE2 3.65Å; L31-Y65 HydrophobicContact CD1-CG 3.64Å |
| 66 | K | 73.7 | Confident | 64 | Low | 59 Ų | 59 | 53.8 Ų | 53.8 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.9 | 170.9 | -70.5 | 170 | 175.9 | -178.9 | 0 | 109.7 | R18 F19 I20 D56 | R18-K66 HydrophobicContact CG-CB 4.07Å; R18-K66 HydrophobicContact CG-CG 4.31Å; F19-K66 CarbonylContact O-C 3.6Å; F19-K66 WeakPolarHBondContact O-CA 3.47Å; I20-K66 HydrophobicContact CG1-CG 4.44Å; D56-K66 HydrophobicContact CB-CB 4.16Å; D56-K66 WeakPolarHBondContact OD2-CD 3.37Å |
| 67 | L | 78.2 | Confident | 64.1 | Low | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.1 | -179.5 | -59.9 | 171.9 | 0 | 0 | 0 | 109.3 | R18 F19 L31 L35 T54 | R18-L67 CarbonylContact C-O 3.58Å; R18-L67 WeakPolarHBondContact CA-O 3.38Å; F19-L67 HydrophobicContact CB-CB 4.21Å; F19-L67 PolarHBondContact N-O 3.37Å; F19-L67 PolarHBondContact O-N 3.41Å; L31-L67 HydrophobicContact CB-CD1 4.08Å; L35-L67 HydrophobicContact CB-CD1 4.43Å; L35-L67 HydrophobicContact CD2-CB 3.92Å; L35-L67 HydrophobicContact CD2-CD1 3.76Å; T54-L67 HydrophobicContact CG2-CD2 4.19Å |
| 68 | F | 81 | Confident | 64.5 | Low | 48 Ų | 48 | 53.7 Ų | 53.7 | 21% | 0.211 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.6 | 179 | -71.3 | -91.8 | 0 | 0 | 0 | 110.3 | M17 R18 V52 S53 L55 D56 | M17-F68 WeakPolarHBondContact O-CA 3.36Å; R18-F68 HydrophobicContact CB-CD1 4.37Å; R18-F68 HydrophobicContact CB-CE1 4.3Å; R18-F68 HydrophobicContact CG-CE1 4.4Å; V52-F68 WeakPolarHBondContact CA-O 3.03Å; S53-F68 PolarHBondContact N-O 3.22Å; S53-F68 PolarHBondContact O-N 3.23Å; S53-F68 PolarHBondContact OG-O 3.08Å; L55-F68 HydrophobicContact CB-CD2 3.47Å; L55-F68 VanDerWaalsContact CB-CD2 3.47Å; L55-F68 HydrophobicContact CB-CE2 3.64Å; L55-F68 HydrophobicContact CB-CG 4.34Å; D56-F68 HydrophobicContact CB-CE2 4.14Å |
| 69 | V | 83.8 | Confident | 64.9 | Low | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.6 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | M17 F19 L35 L39 A50 H51 V52 M71 | M17-V69 HydrophobicContact CB-CB 4.47Å; M17-V69 HydrophobicContact CE-CG1 4.15Å; M17-V69 PolarHBondContact N-O 3.11Å; M17-V69 PolarHBondContact O-N 2.75Å; F19-V69 HydrophobicContact CD2-CB 3.73Å; F19-V69 HydrophobicContact CD2-CG2 3.27Å; F19-V69 HydrophobicContact CE2-CB 3.64Å; F19-V69 HydrophobicContact CE2-CG1 4.08Å; F19-V69 HydrophobicContact CE2-CG2 3.55Å; F19-V69 HydrophobicContact CG-CG2 4.25Å; L35-V69 HydrophobicContact CD2-CG2 3.54Å; L35-V69 HydrophobicContact CG-CG2 4.29Å; L39-V69 HydrophobicContact CD1-CG1 3.65Å; L39-V69 HydrophobicContact CD1-CG2 4.13Å; A50-V69 HydrophobicContact CB-CG1 4.41Å; H51-V69 WeakPolarHBondContact O-CA 3.4Å; V52-V69 HydrophobicContact CB-CG2 4.46Å; V52-V69 HydrophobicContact CG1-CG2 4.24Å; V52-V69 HydrophobicContact CG2-CG2 4.01Å; V69-M71 HydrophobicContact CG1-CG 4.18Å |
| 70 | R | 83.2 | Confident | 65.7 | Low | 116 Ų | 116 | 62.2 Ų | 62.2 | 44% | 0.438 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.5 | 173.4 | -176.4 | -174.1 | -169.3 | -156.8 | -3.1 | 108.3 | E14 L15 A50 H51 V72 | E14-R70 HydrophobicContact CG-CG 3.94Å; E14-R70 WeakPolarHBondContact OE1-CD 3.31Å; E14-R70 WeakPolarHBondContact OE1-CG 3.49Å; E14-R70 IonicContact OE1-CZ 2.69Å; E14-R70 IonicContact OE1-NE 3.39Å; E14-R70 PolarHBondContact OE1-NE 3.49Å; E14-R70 IonicContact OE1-NH2 2.65Å; E14-R70 IonicContact OE2-CZ 2.85Å; E14-R70 IonicContact OE2-NE 2.97Å; E14-R70 PolarHBondContact OE2-NE 2.91Å; E14-R70 IonicContact OE2-NH2 2.66Å; E14-R70 PolarHBondContact OE2-NH2 2.81Å; L15-R70 CarbonylContact O-C 3.56Å; L15-R70 WeakPolarHBondContact O-CA 3.32Å; A50-R70 CarbonylContact C-O 3.51Å; A50-R70 WeakPolarHBondContact CA-O 3.48Å; H51-R70 HydrophobicContact CB-CB 4.37Å; H51-R70 PolarHBondContact N-O 2.99Å; H51-R70 PolarHBondContact O-N 3.37Å; R70-V72 HydrophobicContact CG-CG2 4.12Å |
| 71 | M | 82.6 | Confident | 66.7 | Low | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.7 | 172.3 | -56.8 | -177.6 | 81.7 | 0 | 0 | 109.8 | E14 L15 M17 V42 V48 S49 A50 V69 F88 | E14-M71 WeakPolarHBondContact CA-O 3.33Å; L15-M71 HydrophobicContact CB-CB 4.24Å; L15-M71 PolarHBondContact N-O 2.89Å; L15-M71 PolarHBondContact O-N 3.19Å; M17-M71 HydrophobicContact CE-CG 3.55Å; M17-M71 HydrophobicContact CE-SD 3.19Å; M17-M71 WeakPolarHBondContact CE-SD 3.4Å; V42-M71 HydrophobicContact CB-CE 4.33Å; V42-M71 HydrophobicContact CG1-CE 3.58Å; V48-M71 HydrophobicContact CG2-CE 3.34Å; S49-M71 CarbonylContact O-C 3.47Å; S49-M71 VanDerWaalsContact O-CA 3.29Å; S49-M71 WeakPolarHBondContact O-CA 3.45Å; A50-M71 HydrophobicContact CB-CG 4.13Å; V69-M71 HydrophobicContact CG1-CG 4.18Å; M71-F88 HydrophobicContact CE-CD2 4.01Å; M71-F88 HydrophobicContact CE-CE2 4.07Å; M71-F88 HydrophobicContact SD-CD2 3.57Å; M71-F88 VanDerWaalsContact SD-CD2 3.57Å; M71-F88 HydrophobicContact SD-CE2 3.47Å; M71-F88 WeakPolarHBondContact SD-CE2 3.46Å |
| 72 | V | 80.8 | Confident | 67.4 | Low | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.7 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | V48 S49 R70 | V48-V72 CarbonylContact C-O 3.52Å; V48-V72 VanDerWaalsContact CA-O 3.29Å; V48-V72 WeakPolarHBondContact CA-O 3.25Å; V48-V72 WeakPolarHBondContact CB-O 3.41Å; S49-V72 PolarHBondContact N-O 3.08Å; S49-V72 PolarHBondContact O-N 3.41Å; S49-V72 PolarHBondContact OG-O 2.9Å; R70-V72 HydrophobicContact CG-CG2 4.12Å |
| 73 | C | 76 | Confident | 68 | Low | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 115.8 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | A13 V48 L84 | A13-C73 PolarHBondContact O-N 2.98Å; V48-C73 HydrophobicContact CG1-CB 3.97Å; C73-L84 HydrophobicContact CB-CD2 4.45Å |
| 74 | E | 65.8 | Low | 68.5 | Low | 147 Ų | 147 | 63.2 Ų | 63.2 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | trans | -87.9 | -22.8 | -177.5 | -67.4 | -176.6 | -170.8 | 0 | 0 | 112.6 | S49 A76 | S49-E74 VanDerWaalsContact CB-OE1 3.25Å; S49-E74 WeakPolarHBondContact CB-OE1 3.23Å; S49-E74 PolarHBondContact OG-OE1 3.38Å; E74-A76 PolarHBondContact O-N 3.36Å | ||
| 75 | S | 63.9 | Low | 68.7 | Low | 47 Ų | 47 | 62.1 Ų | 62.1 | 33% | 0.329 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -70.6 | 129.5 | 179.6 | 27.9 | 0 | 0 | 0 | 0 | 112.2 | D47 G77 | D47-S75 WeakPolarHBondContact OD2-CB 3.38Å; D47-S75 PolarHBondContact OD2-OG 3.42Å; S75-G77 PolarHBondContact O-N 2.93Å |
| 76 | A | 49.3 | Very low | 68.7 | Low | 116 Ų | 116 | 63.7 Ų | 63.7 | 96% | 0.959 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -65.7 | 2.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E74 | E74-A76 PolarHBondContact O-N 3.36Š|
| 77 | G | 52.1 | Low | 68.7 | Low | 53 Ų | 53 | 63.9 Ų | 63.9 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -78.5 | 130 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S75 R79 | S75-G77 PolarHBondContact O-N 2.93Å; G77-R79 VanDerWaalsContact C-N 3.31Å; G77-R79 PolarHBondContact O-N 3.39Å |
| 78 | K | 49.6 | Very low | 68.7 | Low | 194 Ų | 194 | 63.8 Ų | 63.8 | 84% | 0.843 | 33% | 0.333 | S | S | * | . | trans | -57.7 | 89.2 | 172.2 | -72.7 | 178 | 176.2 | 179.5 | 0 | 110.5 | ||||
| 79 | R | 53 | Low | 68.3 | Low | 94 Ų | 94 | 62 Ų | 62 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | trans | -86.5 | 121.9 | 154.3 | -80.9 | -169.3 | 175.6 | 163.8 | 3.3 | 107.6 | L46 G77 | L46-R79 PolarHBondContact O-NH1 2.94Å; G77-R79 VanDerWaalsContact C-N 3.31Å; G77-R79 PolarHBondContact O-N 3.39Å | ||
| 80 | E | 62.2 | Low | 67.6 | Low | 126 Ų | 126 | 63.8 Ų | 63.8 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | trans | -61.1 | 141.7 | 166.9 | -64.5 | 176.8 | 155.4 | 0 | 0 | 108.6 | E82 N83 L84 | E80-E82 PolarHBondContact O-N 3.3Å; E80-E82 VanDerWaalsContact O-N 3.14Å; E80-N83 PolarHBondContact O-N 2.85Å; E80-N83 PolarHBondContact OE2-ND2 3.47Å; E80-L84 PolarHBondContact O-N 3.25Å | ||
| 81 | F | 65.1 | Low | 67.1 | Low | 48 Ų | 48 | 59.6 Ų | 59.6 | 21% | 0.211 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -50 | -39 | 178.3 | 175.6 | -81.4 | 0 | 0 | 0 | 111.9 | E14 L15 L84 L85 A118 | E14-F81 WeakPolarHBondContact O-CE2 3.46Å; L15-F81 HydrophobicContact CD2-CD2 4.23Å; L15-F81 HydrophobicContact CD2-CE1 4.11Å; L15-F81 HydrophobicContact CD2-CE2 3.45Å; L15-F81 VanDerWaalsContact CD2-CE2 3.45Å; L15-F81 HydrophobicContact CD2-CZ 3.36Å; L15-F81 HydrophobicContact CG-CE2 4.3Å; F81-L84 PolarHBondContact O-N 3.47Å; F81-L85 HydrophobicContact CE1-CD2 4.18Å; F81-L85 VanDerWaalsContact O-CB 3.3Å; F81-L85 WeakPolarHBondContact O-CB 3.21Å; F81-L85 PolarHBondContact O-N 3.47Å; F81-A118 HydrophobicContact CE1-CB 3.43Å; F81-A118 VanDerWaalsContact CE1-CB 3.43Å; F81-A118 HydrophobicContact CZ-CB 3.38Å |
| 82 | E | 62.7 | Low | 66.8 | Low | 99 Ų | 99 | 60.1 Ų | 60.1 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 178.6 | -67.2 | 171 | -167.4 | 0 | 0 | 112.1 | E80 L85 L86 | E80-E82 PolarHBondContact O-N 3.3Å; E80-E82 VanDerWaalsContact O-N 3.14Å; E82-L85 WeakPolarHBondContact O-CB 3.37Å; E82-L85 PolarHBondContact O-N 3.15Å; E82-L86 WeakPolarHBondContact O-CG 3.14Å; E82-L86 PolarHBondContact O-N 2.88Å |
| 83 | N | 67.2 | Low | 66.1 | Low | 71 Ų | 71 | 60.1 Ų | 60.1 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 176.4 | -68.7 | -37.5 | 0 | 0 | 0 | 111.3 | E80 L85 L86 D87 | E80-N83 PolarHBondContact O-N 2.85Å; E80-N83 PolarHBondContact OE2-ND2 3.47Å; N83-L85 VanDerWaalsContact C-N 3.26Å; N83-L85 PolarHBondContact O-N 3.14Å; N83-L86 PolarHBondContact O-N 2.98Å; N83-D87 WeakPolarHBondContact O-CB 3.21Å; N83-D87 PolarHBondContact O-N 3.37Å |
| 84 | L | 72.3 | Confident | 65.6 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.5 | -39.8 | 175 | 179.1 | 64.4 | 0 | 0 | 0 | 111.6 | A13 L15 L46 V48 C73 E80 F81 F88 | A13-L84 HydrophobicContact CB-CD2 3.87Å; L15-L84 HydrophobicContact CD1-CD2 3.88Å; L15-L84 HydrophobicContact CD1-CG 3.8Å; L15-L84 HydrophobicContact CG-CD2 4.03Å; L15-L84 HydrophobicContact CG-CG 4.42Å; L46-L84 HydrophobicContact CB-CD1 4.49Å; L46-L84 HydrophobicContact CD1-CD1 4.13Å; L46-L84 HydrophobicContact CD2-CD1 4.44Å; V48-L84 HydrophobicContact CG1-CD1 3.85Å; C73-L84 HydrophobicContact CB-CD2 4.45Å; E80-L84 PolarHBondContact O-N 3.25Å; F81-L84 PolarHBondContact O-N 3.47Å; L84-F88 VanDerWaalsContact O-CB 3.26Å; L84-F88 WeakPolarHBondContact O-CB 3.41Å; L84-F88 PolarHBondContact O-N 2.96Å |
| 85 | L | 71.9 | Confident | 65.7 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.8 | -46.6 | 178.5 | -178.3 | 67 | 0 | 0 | 0 | 112.2 | L15 F81 E82 N83 F88 F89 L113 W273 | L15-L85 HydrophobicContact CD2-CB 4.36Å; L15-L85 HydrophobicContact CD2-CD1 3.89Å; F81-L85 HydrophobicContact CE1-CD2 4.18Å; F81-L85 VanDerWaalsContact O-CB 3.3Å; F81-L85 WeakPolarHBondContact O-CB 3.21Å; F81-L85 PolarHBondContact O-N 3.47Å; E82-L85 WeakPolarHBondContact O-CB 3.37Å; E82-L85 PolarHBondContact O-N 3.15Å; N83-L85 VanDerWaalsContact C-N 3.26Å; N83-L85 PolarHBondContact O-N 3.14Å; L85-F88 WeakPolarHBondContact O-CB 3.42Å; L85-F88 PolarHBondContact O-N 3.13Å; L85-F89 HydrophobicContact CD1-CD2 4.08Å; L85-F89 HydrophobicContact CD1-CE2 3.54Å; L85-F89 HydrophobicContact CD1-CZ 4.19Å; L85-F89 HydrophobicContact CD2-CE2 3.97Å; L85-F89 HydrophobicContact CG-CD2 3.84Å; L85-F89 HydrophobicContact CG-CE2 3.5Å; L85-F89 VanDerWaalsContact CG-CE2 3.5Å; L85-F89 WeakPolarHBondContact O-CD2 3.48Å; L85-F89 PolarHBondContact O-N 3.34Å; L85-L113 HydrophobicContact CD1-CD1 3.77Å; L85-L113 HydrophobicContact CD1-CD2 3.58Å; L85-L113 HydrophobicContact CD1-CG 4.31Å; L85-L113 HydrophobicContact CD2-CD1 3.99Å; L85-W273 HydrophobicContact CD2-CH2 3.9Å; L85-W273 HydrophobicContact CD2-CZ2 3.24Å; L85-W273 HydrophobicContact CG-CZ2 4.4Å |
| 86 | L | 68.1 | Low | 65.5 | Low | 79 Ų | 79 | 58.6 Ų | 58.6 | 41% | 0.414 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 177.1 | -71 | 173.5 | 0 | 0 | 0 | 111.7 | E82 N83 F88 F89 S90 | E82-L86 WeakPolarHBondContact O-CG 3.14Å; E82-L86 PolarHBondContact O-N 2.88Å; N83-L86 PolarHBondContact O-N 2.98Å; L86-F88 VanDerWaalsContact C-N 3.35Å; L86-F89 PolarHBondContact O-N 3.41Å; L86-S90 WeakPolarHBondContact O-CB 3.37Å; L86-S90 PolarHBondContact O-N 3.4Å |
| 87 | D | 73.4 | Confident | 65.7 | Low | 62 Ų | 62 | 58.5 Ų | 58.5 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 174.7 | -68.6 | -25 | 0 | 0 | 0 | 110.8 | L46 N83 S90 I91 | L46-D87 HydrophobicContact CD2-CB 3.37Å; N83-D87 WeakPolarHBondContact O-CB 3.21Å; N83-D87 PolarHBondContact O-N 3.37Å; D87-S90 WeakPolarHBondContact O-CB 3.29Å; D87-S90 PolarHBondContact O-N 2.95Å; D87-I91 WeakPolarHBondContact O-CB 3.48Å; D87-I91 WeakPolarHBondContact O-CD1 3.28Å; D87-I91 WeakPolarHBondContact O-CG1 3.48Å; D87-I91 PolarHBondContact O-N 2.72Å |
| 88 | F | 78 | Confident | 65.5 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 172.6 | 175.8 | -88.1 | 0 | 0 | 0 | 111.6 | L15 M17 F19 L39 V42 L46 M71 L84 L85 L86 S90 I91 W92 F111 | L15-F88 HydrophobicContact CD1-CB 4.42Å; M17-F88 HydrophobicContact CE-CE2 3.91Å; M17-F88 HydrophobicContact CE-CZ 3.92Å; M17-F88 HydrophobicContact SD-CD1 4.46Å; M17-F88 HydrophobicContact SD-CE1 3.79Å; M17-F88 HydrophobicContact SD-CE2 4.17Å; M17-F88 HydrophobicContact SD-CZ 3.62Å; F19-F88 HydrophobicContact CZ-CZ 4.39Å; L39-F88 HydrophobicContact CD2-CE2 4.4Å; V42-F88 HydrophobicContact CG1-CD2 3.57Å; V42-F88 HydrophobicContact CG1-CE2 3.77Å; L46-F88 HydrophobicContact CD1-CB 3.85Å; L46-F88 HydrophobicContact CD1-CD2 4.11Å; L46-F88 HydrophobicContact CD1-CG 4.5Å; M71-F88 HydrophobicContact CE-CD2 4.01Å; M71-F88 HydrophobicContact CE-CE2 4.07Å; M71-F88 HydrophobicContact SD-CD2 3.57Å; M71-F88 VanDerWaalsContact SD-CD2 3.57Å; M71-F88 HydrophobicContact SD-CE2 3.47Å; M71-F88 WeakPolarHBondContact SD-CE2 3.46Å; L84-F88 VanDerWaalsContact O-CB 3.26Å; L84-F88 WeakPolarHBondContact O-CB 3.41Å; L84-F88 PolarHBondContact O-N 2.96Å; L85-F88 WeakPolarHBondContact O-CB 3.42Å; L85-F88 PolarHBondContact O-N 3.13Å; L86-F88 VanDerWaalsContact C-N 3.35Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 2.74Å; F88-I91 PolarHBondContact O-N 2.69Å; F88-W92 HydrophobicContact CD1-CB 4.44Å; F88-W92 HydrophobicContact CE1-CB 4.07Å; F88-W92 HydrophobicContact CE1-CD2 4.49Å; F88-W92 HydrophobicContact CE1-CG 4.18Å; F88-W92 HydrophobicContact CE2-CE3 4.38Å; F88-W92 HydrophobicContact CZ-CB 4.26Å; F88-W92 HydrophobicContact CZ-CD2 4.08Å; F88-W92 AromaticContact CZ-CE3 3.99Å; F88-W92 HydrophobicContact CZ-CE3 3.99Å; F88-W92 HydrophobicContact CZ-CG 4.22Å; F88-W92 WeakPolarHBondContact O-CB 3.32Å; F88-W92 PolarHBondContact O-N 3.43Å; F88-F111 HydrophobicContact CD1-CE2 4.5Å; F88-F111 HydrophobicContact CD1-CZ 4.09Å; F88-F111 HydrophobicContact CE1-CD1 4.4Å; F88-F111 AromaticContact CE1-CE1 3.73Å; F88-F111 HydrophobicContact CE1-CE1 3.73Å; F88-F111 AromaticContact CE1-CE2 3.87Å; F88-F111 HydrophobicContact CE1-CE2 3.87Å; F88-F111 AromaticContact CE1-CZ 3.41Å; F88-F111 HydrophobicContact CE1-CZ 3.41Å; F88-F111 VanDerWaalsContact CE1-CZ 3.41Å; F88-F111 HydrophobicContact CZ-CE1 4.43Å; F88-F111 HydrophobicContact CZ-CZ 4.43Å |
| 89 | F | 72.7 | Confident | 64.9 | Low | 11 Ų | 11 | 61.5 Ų | 61.5 | 5% | 0.048 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 176 | -80.5 | -61.6 | 0 | 0 | 0 | 111.9 | L85 L86 I91 W92 T93 F111 L113 W273 F289 | L85-F89 HydrophobicContact CD1-CD2 4.08Å; L85-F89 HydrophobicContact CD1-CE2 3.54Å; L85-F89 HydrophobicContact CD1-CZ 4.19Å; L85-F89 HydrophobicContact CD2-CE2 3.97Å; L85-F89 HydrophobicContact CG-CD2 3.84Å; L85-F89 HydrophobicContact CG-CE2 3.5Å; L85-F89 VanDerWaalsContact CG-CE2 3.5Å; L85-F89 WeakPolarHBondContact O-CD2 3.48Å; L85-F89 PolarHBondContact O-N 3.34Å; L86-F89 PolarHBondContact O-N 3.41Å; F89-I91 PolarHBondContact O-N 2.98Å; F89-W92 PolarHBondContact O-N 3.35Å; F89-T93 VanDerWaalsContact O-CB 3.29Å; F89-T93 WeakPolarHBondContact O-CB 3.37Å; F89-T93 WeakPolarHBondContact O-CG2 3.21Å; F89-T93 PolarHBondContact O-N 2.89Å; F89-T93 PolarHBondContact O-OG1 3.37Å; F89-F111 AromaticContact CD1-CZ 3.86Å; F89-F111 HydrophobicContact CD1-CZ 3.86Å; F89-F111 HydrophobicContact CE1-CE1 4.32Å; F89-F111 AromaticContact CE1-CE2 3.89Å; F89-F111 HydrophobicContact CE1-CE2 3.89Å; F89-F111 AromaticContact CE1-CZ 3.3Å; F89-F111 HydrophobicContact CE1-CZ 3.3Å; F89-F111 HydrophobicContact CZ-CE2 4.14Å; F89-F111 HydrophobicContact CZ-CZ 4.01Å; F89-L113 HydrophobicContact CZ-CD1 4.27Å; F89-W273 AromaticContact CE2-CH2 3.49Å; F89-W273 HydrophobicContact CE2-CH2 3.49Å; F89-W273 VanDerWaalsContact CE2-CH2 3.49Å; F89-W273 HydrophobicContact CE2-CZ2 4.26Å; F89-W273 AromaticContact CE2-CZ3 3.64Å; F89-W273 HydrophobicContact CE2-CZ3 3.64Å; F89-W273 AromaticContact CZ-CH2 3.75Å; F89-W273 HydrophobicContact CZ-CH2 3.75Å; F89-W273 AromaticContact CZ-CZ3 3.88Å; F89-W273 HydrophobicContact CZ-CZ3 3.88Å; F89-F289 HydrophobicContact CD1-CD1 4.35Å; F89-F289 HydrophobicContact CE1-CB 3.68Å; F89-F289 AromaticContact CE1-CD1 3.29Å; F89-F289 HydrophobicContact CE1-CD1 3.29Å; F89-F289 HydrophobicContact CE1-CD2 4.02Å; F89-F289 AromaticContact CE1-CE1 3.86Å; F89-F289 HydrophobicContact CE1-CE1 3.86Å; F89-F289 HydrophobicContact CE1-CE2 4.5Å; F89-F289 AromaticContact CE1-CG 3.39Å; F89-F289 HydrophobicContact CE1-CG 3.39Å; F89-F289 HydrophobicContact CE1-CZ 4.42Å; F89-F289 HydrophobicContact CZ-CB 4.43Å; F89-F289 AromaticContact CZ-CD1 3.58Å; F89-F289 HydrophobicContact CZ-CD1 3.58Å; F89-F289 AromaticContact CZ-CD2 3.92Å; F89-F289 HydrophobicContact CZ-CD2 3.92Å; F89-F289 AromaticContact CZ-CE1 3.65Å; F89-F289 HydrophobicContact CZ-CE1 3.65Å; F89-F289 AromaticContact CZ-CE2 3.98Å; F89-F289 HydrophobicContact CZ-CE2 3.98Å; F89-F289 AromaticContact CZ-CG 3.72Å; F89-F289 HydrophobicContact CZ-CG 3.72Å; F89-F289 AromaticContact CZ-CZ 3.85Å; F89-F289 HydrophobicContact CZ-CZ 3.85Å |
| 90 | S | 69.2 | Low | 64.2 | Low | 41 Ų | 41 | 59.4 Ų | 59.4 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | L86 D87 F88 T93 S94 Q209 | L86-S90 WeakPolarHBondContact O-CB 3.37Å; L86-S90 PolarHBondContact O-N 3.4Å; D87-S90 WeakPolarHBondContact O-CB 3.29Å; D87-S90 PolarHBondContact O-N 2.95Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 2.74Å; S90-T93 PolarHBondContact O-OG1 2.69Å; S90-T93 VanDerWaalsContact O-OG1 3.06Å; S90-S94 WeakPolarHBondContact O-CB 3.48Å; S90-S94 PolarHBondContact O-N 3.38Å; S90-S94 VanDerWaalsContact O-N 3.13Å; S90-S94 PolarHBondContact O-OG 3.26Å; S90-S94 VanDerWaalsContact O-OG 3.07Å; S90-Q209 PolarHBondContact OG-NE2 3.47Å |
| 91 | I | 74.1 | Confident | 63 | Low | 28 Ų | 28 | 57.8 Ų | 57.8 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.4 | -45.8 | 179.4 | -67.2 | 159.8 | 0 | 0 | 0 | 111.1 | V42 L46 D87 F88 F89 T93 S94 L95 | V42-I91 HydrophobicContact CB-CG2 4.46Å; V42-I91 HydrophobicContact CG1-CG2 4.47Å; V42-I91 HydrophobicContact CG2-CG2 4.15Å; L46-I91 HydrophobicContact CD1-CD1 4.34Å; L46-I91 HydrophobicContact CD2-CD1 3.31Å; L46-I91 HydrophobicContact CG-CD1 3.47Å; L46-I91 VanDerWaalsContact CG-CD1 3.47Å; D87-I91 WeakPolarHBondContact O-CB 3.48Å; D87-I91 WeakPolarHBondContact O-CD1 3.28Å; D87-I91 WeakPolarHBondContact O-CG1 3.48Å; D87-I91 PolarHBondContact O-N 2.72Å; F88-I91 PolarHBondContact O-N 2.69Å; F89-I91 PolarHBondContact O-N 2.98Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 2.87Å; I91-S94 WeakPolarHBondContact CA-OG 3.49Å; I91-S94 PolarHBondContact O-N 2.8Å; I91-S94 PolarHBondContact O-OG 3.43Å; I91-L95 HydrophobicContact CG2-CD1 3.92Å; I91-L95 HydrophobicContact CG2-CG 4.27Å; I91-L95 VanDerWaalsContact O-CG 3.29Å; I91-L95 WeakPolarHBondContact O-CG 3.34Å; I91-L95 PolarHBondContact O-N 3.05Å |
| 92 | W | 74.9 | Confident | 61.8 | Low | 12 Ų | 12 | 65.1 Ų | 65.1 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 179.8 | -173.2 | -105 | 0 | 0 | 0 | 112.2 | F19 L39 V42 F88 F89 L109 F111 | F19-W92 AromaticContact CE1-CH2 3.63Å; F19-W92 HydrophobicContact CE1-CH2 3.63Å; F19-W92 AromaticContact CE1-CZ2 3.64Å; F19-W92 HydrophobicContact CE1-CZ2 3.64Å; F19-W92 HydrophobicContact CE1-CZ3 4.39Å; F19-W92 HydrophobicContact CZ-CH2 4.25Å; F19-W92 HydrophobicContact CZ-CZ2 4.48Å; L39-W92 HydrophobicContact CD2-CE3 4.44Å; L39-W92 HydrophobicContact CD2-CH2 4.45Å; L39-W92 HydrophobicContact CD2-CZ3 3.75Å; V42-W92 HydrophobicContact CG2-CE3 3.93Å; V42-W92 HydrophobicContact CG2-CZ3 4.32Å; F88-W92 HydrophobicContact CD1-CB 4.44Å; F88-W92 HydrophobicContact CE1-CB 4.07Å; F88-W92 HydrophobicContact CE1-CD2 4.49Å; F88-W92 HydrophobicContact CE1-CG 4.18Å; F88-W92 HydrophobicContact CE2-CE3 4.38Å; F88-W92 HydrophobicContact CZ-CB 4.26Å; F88-W92 HydrophobicContact CZ-CD2 4.08Å; F88-W92 AromaticContact CZ-CE3 3.99Å; F88-W92 HydrophobicContact CZ-CE3 3.99Å; F88-W92 HydrophobicContact CZ-CG 4.22Å; F88-W92 WeakPolarHBondContact O-CB 3.32Å; F88-W92 PolarHBondContact O-N 3.43Å; F89-W92 PolarHBondContact O-N 3.35Å; W92-L109 HydrophobicContact CH2-CD2 3.44Å; W92-L109 VanDerWaalsContact CH2-CD2 3.44Å; W92-L109 HydrophobicContact CH2-CG 4.38Å; W92-L109 HydrophobicContact CZ2-CB 4.49Å; W92-L109 HydrophobicContact CZ2-CD2 3.56Å; W92-L109 HydrophobicContact CZ2-CG 4.04Å; W92-F111 AromaticContact CD1-CE1 3.68Å; W92-F111 HydrophobicContact CG-CE1 4.28Å; W92-F111 AromaticContact NE1-CD1 3.91Å; W92-F111 AromaticContact NE1-CE1 3.72Å |
| 93 | T | 65.8 | Low | 60.5 | Low | 26 Ų | 26 | 68.1 Ų | 68.1 | 16% | 0.16 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.2 | -38 | 178.5 | 56.4 | 0 | 0 | 0 | 0 | 112 | F89 S90 I91 R96 Y207 | F89-T93 VanDerWaalsContact O-CB 3.29Å; F89-T93 WeakPolarHBondContact O-CB 3.37Å; F89-T93 WeakPolarHBondContact O-CG2 3.21Å; F89-T93 PolarHBondContact O-N 2.89Å; F89-T93 PolarHBondContact O-OG1 3.37Å; S90-T93 PolarHBondContact O-OG1 2.69Å; S90-T93 VanDerWaalsContact O-OG1 3.06Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 2.87Å; T93-R96 PolarHBondContact O-N 3.11Å; T93-Y207 WeakPolarHBondContact CB-O 3.5Å; T93-Y207 WeakPolarHBondContact CG2-O 3.34Å |
| 94 | S | 66.5 | Low | 59.2 | Low | 54 Ų | 54 | 68 Ų | 68 | 38% | 0.378 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 177.4 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | S90 I91 R96 K97 | S90-S94 WeakPolarHBondContact O-CB 3.48Å; S90-S94 PolarHBondContact O-N 3.38Å; S90-S94 VanDerWaalsContact O-N 3.13Å; S90-S94 PolarHBondContact O-OG 3.26Å; S90-S94 VanDerWaalsContact O-OG 3.07Å; I91-S94 WeakPolarHBondContact CA-OG 3.49Å; I91-S94 PolarHBondContact O-N 2.8Å; I91-S94 PolarHBondContact O-OG 3.43Å; S94-R96 PolarHBondContact O-N 2.96Å; S94-R96 VanDerWaalsContact O-N 3.1Å; S94-K97 PolarHBondContact O-N 3.31Å |
| 95 | L | 66.9 | Low | 58 | Low | 56 Ų | 56 | 77.9 Ų | 77.9 | 29% | 0.293 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59 | -22.3 | 174.4 | -73.1 | 168.6 | 0 | 0 | 0 | 113.3 | P41 V42 I91 T98 | P41-L95 HydrophobicContact CB-CD1 3.91Å; P41-L95 HydrophobicContact CB-CD2 3.48Å; P41-L95 VanDerWaalsContact CB-CD2 3.48Å; P41-L95 HydrophobicContact CB-CG 4.34Å; P41-L95 HydrophobicContact CG-CD1 4.45Å; P41-L95 HydrophobicContact CG-CD2 4.02Å; V42-L95 HydrophobicContact CG2-CD1 3.53Å; I91-L95 HydrophobicContact CG2-CD1 3.92Å; I91-L95 HydrophobicContact CG2-CG 4.27Å; I91-L95 VanDerWaalsContact O-CG 3.29Å; I91-L95 WeakPolarHBondContact O-CG 3.34Å; I91-L95 PolarHBondContact O-N 3.05Å; L95-T98 PolarHBondContact O-OG1 2.66Å |
| 96 | R | 61.3 | Low | 57.3 | Low | 61 Ų | 61 | 82 Ų | 82 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -90.2 | -16.4 | 176.3 | -71.3 | -104.2 | 178 | -179 | -6.3 | 113.4 | T93 S94 E107 | T93-R96 PolarHBondContact O-N 3.11Å; S94-R96 PolarHBondContact O-N 2.96Å; S94-R96 VanDerWaalsContact O-N 3.1Å; R96-E107 PolarHBondContact NH1-O 3.21Å; R96-E107 PolarHBondContact NH2-O 3.27Å |
| 97 | K | 53.9 | Low | 56.9 | Low | 113 Ų | 113 | 80 Ų | 80 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74.5 | -24.6 | 177.4 | -77.2 | -175.5 | -178.9 | 172.7 | 0 | 113.7 | S94 K99 D208 | S94-K97 PolarHBondContact O-N 3.31Å; K97-K99 PolarHBondContact O-N 2.65Å; K97-D208 PolarHBondContact NZ-O 3.5Å |
| 98 | T | 46.5 | Very low | 56.6 | Low | 95 Ų | 95 | 78.9 Ų | 78.9 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -60.4 | 113.5 | 179.8 | 44.4 | 0 | 0 | 0 | 0 | 110.4 | L95 G100 | L95-T98 PolarHBondContact O-OG1 2.66Å; T98-G100 PolarHBondContact O-N 3.23Å |
| 99 | K | 37.7 | Very low | 56.5 | Low | 215 Ų | 215 | 79 Ų | 79 | 94% | 0.935 | 42% | 0.417 | S | S | * | . | trans | -56.2 | 81.4 | 171.1 | -72 | -177.5 | 174.8 | -177.3 | 0 | 110.1 | K97 | K97-K99 PolarHBondContact O-N 2.65Š| ||
| 100 | G | 38 | Very low | 56.9 | Low | 50 Ų | 50 | 78.5 Ų | 78.5 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | trans | -82.5 | 139 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T98 | T98-G100 PolarHBondContact O-N 3.23Š| ||
| 101 | S | 36.6 | Very low | 57.7 | Low | 93 Ų | 93 | 76.6 Ų | 76.6 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | trans | -36.9 | 146 | -174.5 | 55.5 | 0 | 0 | 0 | 0 | 116.6 | N103 S104 | S101-N103 PolarHBondContact O-N 2.97Å; S101-S104 PolarHBondContact O-N 3.24Å | ||
| 102 | E | 41.1 | Very low | 58.2 | Low | 202 Ų | 202 | 76.3 Ų | 76.3 | 94% | 0.944 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -8.7 | -178 | -72 | 177.6 | 150.1 | 0 | 0 | 116.3 | ||
| 103 | N | 35.1 | Very low | 58.5 | Low | 162 Ų | 162 | 75.7 Ų | 75.7 | 87% | 0.866 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 11.5 | -173.1 | -78.4 | -12.1 | 0 | 0 | 0 | 116.1 | S101 | S101-N103 PolarHBondContact O-N 2.97Š|
| 104 | S | 39.6 | Very low | 58.8 | Low | 67 Ų | 67 | 76.3 Ų | 76.3 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | trans | -127.3 | 98 | 168.9 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | S101 K106 | S101-S104 PolarHBondContact O-N 3.24Å; S104-K106 PolarHBondContact O-N 2.93Å | ||
| 105 | K | 46.3 | Very low | 59.1 | Low | 209 Ų | 209 | 75.6 Ų | 75.6 | 91% | 0.909 | 39% | 0.393 | S | S | * | . | trans | -59.4 | 91.5 | 161.9 | -75.2 | -173.4 | 175.9 | -171.7 | 0 | 107.5 | E107 | K105-E107 PolarHBondContact O-N 3.35Š| ||
| 106 | K | 57.3 | Low | 59 | Low | 86 Ų | 86 | 79.3 Ų | 79.3 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 123 | 174.6 | -74.4 | -176.4 | 177.8 | 177.9 | 0 | 107.9 | S104 | S104-K106 PolarHBondContact O-N 2.93Š|
| 107 | E | 61 | Low | 59 | Low | 36 Ų | 36 | 79 Ų | 79 | 17% | 0.168 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 137.6 | 179.2 | -72.1 | 174 | 174.9 | 0 | 0 | 111 | R26 M34 R96 K105 L109 | R26-E107 IonicContact CZ-OE1 2.96Å; R26-E107 IonicContact NE-OE1 3.94Å; R26-E107 IonicContact NH1-OE1 3.87Å; R26-E107 PolarHBondContact NH1-OE1 2.85Å; R26-E107 VanDerWaalsContact NH1-OE1 3.14Å; R26-E107 IonicContact NH1-OE2 3.11Å; R26-E107 PolarHBondContact NH1-OE2 3.47Å; M34-E107 WeakPolarHBondContact CE-OE2 3.4Å; R96-E107 PolarHBondContact NH1-O 3.21Å; R96-E107 PolarHBondContact NH2-O 3.27Å; K105-E107 PolarHBondContact O-N 3.35Å; E107-L109 PolarHBondContact O-N 3.46Å |
| 108 | P | 65.9 | Low | 59.1 | Low | 39 Ų | 39 | 73.9 Ų | 73.9 | 25% | 0.253 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 125 | 170.6 | 22.1 | -28.2 | 0 | 0 | 0 | 108.8 | F110 I143 | P108-F110 HydrophobicContact CB-CD2 4.26Å; P108-F110 HydrophobicContact CB-CE2 3.76Å; P108-I143 WeakPolarHBondContact CB-O 3.4Å; P108-I143 VanDerWaalsContact CG-O 3.27Å; P108-I143 WeakPolarHBondContact CG-O 3.49Å |
| 109 | L | 75.6 | Confident | 59.8 | Low | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | trans | -126.6 | 110.1 | -178.6 | -174.1 | 67.3 | 0 | 0 | 0 | 107.7 | F19 C21 L35 Y38 W92 E107 | F19-L109 HydrophobicContact CB-CD1 4.43Å; F19-L109 HydrophobicContact CD1-CD1 3.91Å; F19-L109 HydrophobicContact CD1-CD2 4.05Å; F19-L109 HydrophobicContact CD1-CG 3.78Å; F19-L109 HydrophobicContact CE1-CD2 4.2Å; F19-L109 HydrophobicContact CE1-CG 4.26Å; C21-L109 WeakPolarHBondContact SG-CD1 3.4Å; L35-L109 HydrophobicContact CD1-CD1 4.22Å; L35-L109 HydrophobicContact CD1-CD2 3.59Å; L35-L109 HydrophobicContact CD1-CG 4.42Å; Y38-L109 HydrophobicContact CD2-CD2 4.47Å; W92-L109 HydrophobicContact CH2-CD2 3.44Å; W92-L109 VanDerWaalsContact CH2-CD2 3.44Å; W92-L109 HydrophobicContact CH2-CG 4.38Å; W92-L109 HydrophobicContact CZ2-CB 4.49Å; W92-L109 HydrophobicContact CZ2-CD2 3.56Å; W92-L109 HydrophobicContact CZ2-CG 4.04Å; E107-L109 PolarHBondContact O-N 3.46Å | ||
| 110 | F | 81.5 | Confident | 61.1 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 153.6 | -179.8 | -73.5 | -97.4 | 0 | 0 | 0 | 109.5 | F19 I20 P108 I143 T204 F289 R291 V292 | F19-F110 CarbonylContact C-O 3.58Å; F19-F110 VanDerWaalsContact CA-O 3.27Å; F19-F110 WeakPolarHBondContact CA-O 3.45Å; I20-F110 PolarHBondContact N-O 2.91Å; I20-F110 PolarHBondContact O-N 3.39Å; P108-F110 HydrophobicContact CB-CD2 4.26Å; P108-F110 HydrophobicContact CB-CE2 3.76Å; F110-I143 HydrophobicContact CB-CG2 4.01Å; F110-I143 HydrophobicContact CD1-CG2 3.98Å; F110-I143 HydrophobicContact CD2-CB 4.11Å; F110-I143 HydrophobicContact CD2-CG2 3.2Å; F110-I143 HydrophobicContact CE1-CG2 4.33Å; F110-I143 HydrophobicContact CE2-CB 4.41Å; F110-I143 HydrophobicContact CE2-CG2 3.61Å; F110-I143 HydrophobicContact CG-CG2 3.42Å; F110-I143 VanDerWaalsContact CG-CG2 3.42Å; F110-I143 HydrophobicContact CZ-CG2 4.16Å; F110-T204 HydrophobicContact CD1-CG2 3.91Å; F110-T204 HydrophobicContact CE1-CG2 3.42Å; F110-T204 VanDerWaalsContact CE1-CG2 3.42Å; F110-T204 HydrophobicContact CZ-CG2 4.42Å; F110-F289 WeakPolarHBondContact CA-O 3.23Å; F110-R291 VanDerWaalsContact CZ-O 3.31Å; F110-R291 WeakPolarHBondContact CZ-O 3.45Å; F110-V292 HydrophobicContact CE1-CG2 4.04Å; F110-V292 HydrophobicContact CZ-CG2 3.96Å |
| 111 | F | 86 | Confident | 62.6 | Low | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.8 | 172.2 | 69.7 | -85.9 | 0 | 0 | 0 | 112.1 | M17 R18 F19 F88 F89 W92 L113 Y288 F289 | M17-F111 HydrophobicContact CG-CD2 4.15Å; M17-F111 HydrophobicContact SD-CD2 3.78Å; M17-F111 HydrophobicContact SD-CE2 4.08Å; M17-F111 HydrophobicContact SD-CG 4.32Å; R18-F111 CarbonylContact O-C 3.58Å; R18-F111 VanDerWaalsContact O-CA 3.27Å; R18-F111 WeakPolarHBondContact O-CA 3.36Å; F19-F111 HydrophobicContact CD1-CB 3.77Å; F19-F111 HydrophobicContact CD2-CB 4.12Å; F19-F111 HydrophobicContact CE1-CB 3.73Å; F19-F111 HydrophobicContact CE1-CD1 4.22Å; F19-F111 HydrophobicContact CE1-CG 4.26Å; F19-F111 HydrophobicContact CE2-CB 4.09Å; F19-F111 HydrophobicContact CG-CB 3.99Å; F19-F111 HydrophobicContact CZ-CB 3.91Å; F19-F111 HydrophobicContact CZ-CD1 4.47Å; F19-F111 HydrophobicContact CZ-CG 4.28Å; F88-F111 HydrophobicContact CD1-CE2 4.5Å; F88-F111 HydrophobicContact CD1-CZ 4.09Å; F88-F111 HydrophobicContact CE1-CD1 4.4Å; F88-F111 AromaticContact CE1-CE1 3.73Å; F88-F111 HydrophobicContact CE1-CE1 3.73Å; F88-F111 AromaticContact CE1-CE2 3.87Å; F88-F111 HydrophobicContact CE1-CE2 3.87Å; F88-F111 AromaticContact CE1-CZ 3.41Å; F88-F111 HydrophobicContact CE1-CZ 3.41Å; F88-F111 VanDerWaalsContact CE1-CZ 3.41Å; F88-F111 HydrophobicContact CZ-CE1 4.43Å; F88-F111 HydrophobicContact CZ-CZ 4.43Å; F89-F111 AromaticContact CD1-CZ 3.86Å; F89-F111 HydrophobicContact CD1-CZ 3.86Å; F89-F111 HydrophobicContact CE1-CE1 4.32Å; F89-F111 AromaticContact CE1-CE2 3.89Å; F89-F111 HydrophobicContact CE1-CE2 3.89Å; F89-F111 AromaticContact CE1-CZ 3.3Å; F89-F111 HydrophobicContact CE1-CZ 3.3Å; F89-F111 HydrophobicContact CZ-CE2 4.14Å; F89-F111 HydrophobicContact CZ-CZ 4.01Å; W92-F111 AromaticContact CD1-CE1 3.68Å; W92-F111 HydrophobicContact CG-CE1 4.28Å; W92-F111 AromaticContact NE1-CD1 3.91Å; W92-F111 AromaticContact NE1-CE1 3.72Å; F111-L113 HydrophobicContact CE2-CD2 4.29Å; F111-L113 HydrophobicContact CE2-CG 4.36Å; F111-Y288 CarbonylContact O-C 3.57Å; F111-Y288 WeakPolarHBondContact O-CA 3.48Å; F111-F289 HydrophobicContact CD1-CB 4.09Å; F111-F289 VanDerWaalsContact CD1-O 3.32Å; F111-F289 WeakPolarHBondContact CD1-O 3.31Å; F111-F289 HydrophobicContact CD2-CB 4.37Å; F111-F289 HydrophobicContact CD2-CD2 4.48Å; F111-F289 HydrophobicContact CE1-CB 3.54Å; F111-F289 HydrophobicContact CE2-CB 3.86Å; F111-F289 HydrophobicContact CE2-CD2 4.01Å; F111-F289 HydrophobicContact CE2-CG 4.21Å; F111-F289 HydrophobicContact CG-CB 4.48Å; F111-F289 HydrophobicContact CZ-CB 3.42Å; F111-F289 VanDerWaalsContact CZ-CB 3.42Å; F111-F289 HydrophobicContact CZ-CD2 4.35Å; F111-F289 HydrophobicContact CZ-CG 4.08Å; F111-F289 PolarHBondContact N-O 3.18Å; F111-F289 PolarHBondContact O-N 3.23Å |
| 112 | E | 85.6 | Confident | 64.3 | Low | 21 Ų | 21 | 68.4 Ų | 68.4 | 10% | 0.098 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.7 | 171.8 | 175.5 | -175.9 | -157.5 | 0 | 0 | 108.3 | M17 R18 Y288 | M17-E112 CarbonylContact C-O 3.56Å; M17-E112 VanDerWaalsContact CA-O 3.28Å; M17-E112 WeakPolarHBondContact CA-O 3.37Å; R18-E112 HydrophobicContact CB-CB 4.41Å; R18-E112 IonicContact CZ-OE2 3.25Å; R18-E112 PolarHBondContact N-O 3.02Å; R18-E112 IonicContact NE-OE2 3.22Å; R18-E112 IonicContact NH1-OE2 3Å; R18-E112 PolarHBondContact NH1-OE2 3.07Å; R18-E112 PolarHBondContact O-N 3.35Å; E112-Y288 HydrophobicContact CB-CD1 4.05Å; E112-Y288 HydrophobicContact CB-CE1 4.16Å |
| 113 | L | 80.5 | Confident | 66.4 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118.8 | 169.8 | -64.2 | 163.7 | 0 | 0 | 0 | 109.2 | L15 M17 L85 F89 F111 A118 F119 W273 K280 F289 | L15-L113 HydrophobicContact CD2-CD2 4.42Å; M17-L113 HydrophobicContact CG-CD2 3.97Å; L85-L113 HydrophobicContact CD1-CD1 3.77Å; L85-L113 HydrophobicContact CD1-CD2 3.58Å; L85-L113 HydrophobicContact CD1-CG 4.31Å; L85-L113 HydrophobicContact CD2-CD1 3.99Å; F89-L113 HydrophobicContact CZ-CD1 4.27Å; F111-L113 HydrophobicContact CE2-CD2 4.29Å; F111-L113 HydrophobicContact CE2-CG 4.36Å; L113-A118 HydrophobicContact CB-CB 4.38Å; L113-A118 HydrophobicContact CD1-CB 4.38Å; L113-F119 HydrophobicContact CB-CE2 3.69Å; L113-F119 HydrophobicContact CB-CZ 3.76Å; L113-F119 HydrophobicContact CD1-CE1 4.45Å; L113-F119 HydrophobicContact CD1-CE2 4.27Å; L113-F119 HydrophobicContact CD1-CZ 3.82Å; L113-F119 HydrophobicContact CG-CZ 4.38Å; L113-W273 HydrophobicContact CD1-CH2 3.88Å; L113-W273 HydrophobicContact CD1-CZ2 4.14Å; L113-K280 PolarHBondContact O-NZ 3.36Å; L113-F289 HydrophobicContact CD1-CE2 4.06Å; L113-F289 HydrophobicContact CG-CE2 4.48Å |
| 114 | C | 72.9 | Confident | 68.9 | Low | 39 Ų | 39 | 54.2 Ų | 54.2 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | trans | -81.2 | -25.4 | -174.5 | -66.5 | 0 | 0 | 0 | 0 | 113.6 | Q16 R18 | Q16-C114 HydrophobicContact CB-CB 4.15Å; Q16-C114 PolarHBondContact O-N 3.34Å; R18-C114 VanDerWaalsContact CB-SG 3.52Å | ||
| 115 | Q | 71.7 | Confident | 71.4 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | trans | -83 | 124.7 | -176.2 | -72 | 154.9 | -40.6 | 0 | 0 | 111.2 | E14 Q16 A117 A118 | E14-Q115 PolarHBondContact O-NE2 3.43Å; E14-Q115 PolarHBondContact O-OE1 3.14Å; E14-Q115 VanDerWaalsContact O-OE1 3.11Å; Q16-Q115 HydrophobicContact CB-CG 3.95Å; Q16-Q115 HydrophobicContact CG-CG 4.22Å; Q115-A117 PolarHBondContact O-N 2.94Å; Q115-A118 HydrophobicContact CB-CB 4.43Å; Q115-A118 WeakPolarHBondContact O-CB 3.35Å; Q115-A118 PolarHBondContact O-N 3.42Å | ||
| 116 | D | 64.8 | Low | 73.5 | Confident | 134 Ų | 134 | 46.7 Ų | 46.7 | 72% | 0.717 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -63.9 | -28.4 | 172.1 | -72.7 | -25.4 | 0 | 0 | 0 | 112.5 | A118 F119 | D116-A118 PolarHBondContact O-N 3.18Å; D116-A118 VanDerWaalsContact O-N 3.15Å; D116-F119 PolarHBondContact O-N 3.25Å |
| 117 | A | 61.5 | Low | 75.2 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -58.1 | -24.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q115 F119 R120 | Q115-A117 PolarHBondContact O-N 2.94Å; A117-F119 PolarHBondContact O-N 3Å; A117-R120 WeakPolarHBondContact O-CG 3.45Å |
| 118 | A | 57 | Low | 76.5 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -69.2 | -14.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F81 L113 Q115 D116 | F81-A118 HydrophobicContact CE1-CB 3.43Å; F81-A118 VanDerWaalsContact CE1-CB 3.43Å; F81-A118 HydrophobicContact CZ-CB 3.38Å; L113-A118 HydrophobicContact CB-CB 4.38Å; L113-A118 HydrophobicContact CD1-CB 4.38Å; Q115-A118 HydrophobicContact CB-CB 4.43Å; Q115-A118 WeakPolarHBondContact O-CB 3.35Å; Q115-A118 PolarHBondContact O-N 3.42Å; D116-A118 PolarHBondContact O-N 3.18Å; D116-A118 VanDerWaalsContact O-N 3.15Å |
| 119 | F | 60.1 | Low | 77.5 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -113.5 | 29.5 | -175.8 | -60.1 | -86.4 | 0 | 0 | 0 | 112.3 | L113 D116 A117 C121 I276 C277 K280 | L113-F119 HydrophobicContact CB-CE2 3.69Å; L113-F119 HydrophobicContact CB-CZ 3.76Å; L113-F119 HydrophobicContact CD1-CE1 4.45Å; L113-F119 HydrophobicContact CD1-CE2 4.27Å; L113-F119 HydrophobicContact CD1-CZ 3.82Å; L113-F119 HydrophobicContact CG-CZ 4.38Å; D116-F119 PolarHBondContact O-N 3.25Å; A117-F119 PolarHBondContact O-N 3Å; F119-C121 PolarHBondContact O-N 3.42Å; F119-I276 HydrophobicContact CE1-CG2 4.32Å; F119-C277 VanDerWaalsContact CA-SG 3.57Å; F119-C277 HydrophobicContact CB-CB 4.08Å; F119-C277 HydrophobicContact CD1-CB 4.28Å; F119-K280 HydrophobicContact CD1-CB 4.13Å; F119-K280 HydrophobicContact CD1-CD 3.69Å; F119-K280 HydrophobicContact CD1-CG 4.49Å; F119-K280 HydrophobicContact CD2-CD 3.55Å; F119-K280 HydrophobicContact CE1-CB 4.21Å; F119-K280 HydrophobicContact CE1-CD 3.39Å; F119-K280 HydrophobicContact CE1-CG 4.4Å; F119-K280 HydrophobicContact CE2-CD 3.32Å; F119-K280 HydrophobicContact CG-CD 3.73Å; F119-K280 HydrophobicContact CZ-CD 3.18Å |
| 120 | R | 64.5 | Low | 77.8 | Confident | 189 Ų | 189 | 50 Ų | 50 | 71% | 0.713 | 26% | 0.256 | S | S | * | . | trans | -68.9 | 123.5 | 169.5 | -73.9 | -178.2 | -179.7 | -170.7 | 2.6 | 108.6 | A117 | A117-R120 WeakPolarHBondContact O-CG 3.45Š| ||
| 121 | C | 69.8 | Low | 77.7 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | trans | -145.7 | 157.8 | 176.5 | 55.7 | 0 | 0 | 0 | 0 | 109 | F119 A274 C277 R278 | F119-C121 PolarHBondContact O-N 3.42Å; C121-A274 HydrophobicContact CB-CB 4.45Å; C121-C277 HydrophobicContact CB-CB 3.74Å; C121-C277 WeakPolarHBondContact SG-CB 3.16Å; C121-R278 WeakPolarHBondContact SG-CD 3.17Å | ||
| 122 | P | 72.4 | Confident | 77.6 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 66% | 0.656 | 28% | 0.278 | S | S | * | . | trans | -53.9 | 148.7 | 169.6 | -22.4 | 32.7 | 0 | 0 | 0 | 111.3 | D124 | P122-D124 PolarHBondContact O-N 3.29Š| ||
| 123 | F | 85.4 | Confident | 77.5 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | trans | -73.3 | 93.2 | 176.4 | 177.9 | -137.8 | 0 | 0 | 0 | 110.7 | E1320 D1353 R1355 S1367 I1369 | F123-E1320 HydrophobicContact CE2-CG 4.01Å; F123-E1320 HydrophobicContact CZ-CG 4.48Å; F123-D1353 HydrophobicContact CB-CB 4.34Å; F123-D1353 WeakPolarHBondContact CB-OD2 3.42Å; F123-D1353 HydrophobicContact CD1-CB 3.81Å; F123-D1353 HydrophobicContact CG-CB 4.46Å; F123-R1355 HydrophobicContact CD1-CB 4.26Å; F123-R1355 HydrophobicContact CD1-CG 3.43Å; F123-R1355 VanDerWaalsContact CD1-CG 3.43Å; F123-R1355 HydrophobicContact CE1-CB 3.88Å; F123-R1355 HydrophobicContact CE1-CG 3.57Å; F123-R1355 HydrophobicContact CG-CG 4.31Å; F123-S1367 WeakPolarHBondContact CE1-O 3.47Å; F123-I1369 HydrophobicContact CB-CD1 3.8Å; F123-I1369 HydrophobicContact CD1-CD1 4.26Å; F123-I1369 HydrophobicContact CD1-CG1 4.16Å; F123-I1369 HydrophobicContact CD2-CD1 3.56Å; F123-I1369 HydrophobicContact CD2-CG1 3.87Å; F123-I1369 HydrophobicContact CE1-CG1 4.27Å; F123-I1369 HydrophobicContact CE2-CD1 4.17Å; F123-I1369 HydrophobicContact CE2-CG1 3.99Å; F123-I1369 HydrophobicContact CG-CD1 3.6Å; F123-I1369 HydrophobicContact CG-CG1 3.95Å; F123-I1369 HydrophobicContact CZ-CG1 4.17Å | ||
| 124 | D | 88.7 | Confident | 77.8 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | trans | -106.3 | 117.1 | 170.9 | -164.3 | -18.6 | 0 | 0 | 0 | 111.1 | P122 R126 H127 R278 | P122-D124 PolarHBondContact O-N 3.29Å; D124-R126 VanDerWaalsContact C-N 3.28Å; D124-R126 PolarHBondContact O-N 3.01Å; D124-R126 PolarHBondContact OD1-N 3.21Å; D124-R126 VanDerWaalsContact OD1-O 3.11Å; D124-H127 IonicContact OD2-CD2 3.27Å; D124-H127 IonicContact OD2-NE2 2.88Å; D124-R278 PolarHBondContact O-NE 3.02Å; D124-R278 PolarHBondContact O-NH2 3.43Å | ||
| 125 | P | 90.1 | Very high | 78.7 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 8% | 0.078 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -63.6 | -28.6 | 173.3 | -21.4 | 33.3 | 0 | 0 | 0 | 113.9 | H166 D167 R1355 | P125-H166 WeakPolarHBondContact O-CB 3.26Å; P125-H166 PolarHBondContact O-N 3.03Å; P125-D167 HydrophobicContact CB-CB 4.1Å; P125-D167 WeakPolarHBondContact CB-OD2 3.34Å; P125-D167 PolarHBondContact O-N 3.04Å; P125-R1355 HydrophobicContact CG-CB 3.44Å; P125-R1355 VanDerWaalsContact CG-CB 3.44Å; P125-R1355 HydrophobicContact CG-CG 4.06Å |
| 126 | R | 91.6 | Very high | 79.7 | Confident | 105 Ų | 105 | 54.4 Ų | 54.4 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 123.4 | -173.4 | 179.2 | -176 | 67.4 | 163.9 | -7.2 | 113.2 | D124 D163 F164 E165 | D124-R126 VanDerWaalsContact C-N 3.28Å; D124-R126 PolarHBondContact O-N 3.01Å; D124-R126 PolarHBondContact OD1-N 3.21Å; D124-R126 VanDerWaalsContact OD1-O 3.11Å; R126-D163 IonicContact CZ-OD2 3.66Å; R126-D163 IonicContact NH1-OD2 2.77Å; R126-D163 PolarHBondContact NH1-OD2 3.08Å; R126-F164 VanDerWaalsContact CA-O 3.31Å; R126-F164 WeakPolarHBondContact CA-O 3.39Å; R126-E165 HydrophobicContact CG-CG 4.06Å |
| 127 | H | 91.9 | Very high | 81.1 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128 | 164.1 | -65.1 | 92.4 | 0 | 0 | 0 | 111.6 | D124 W129 F164 H166 A274 L275 | D124-H127 IonicContact OD2-CD2 3.27Å; D124-H127 IonicContact OD2-NE2 2.88Å; H127-W129 HydrophobicContact CB-CE3 4.08Å; H127-W129 HydrophobicContact CB-CZ3 3.53Å; H127-F164 HydrophobicContact CB-CB 4.47Å; H127-F164 PolarHBondContact N-O 3.36Å; H127-F164 PolarHBondContact O-N 3.28Å; H127-H166 AromaticContact CE1-NE2 3.72Å; H127-H166 AromaticContact CG-NE2 3.84Å; H127-H166 AromaticContact ND1-CD2 3.34Å; H127-H166 PolarHBondContact ND1-CD2 2.89Å; H127-H166 VanDerWaalsContact ND1-CD2 3.34Å; H127-H166 AromaticContact ND1-NE2 2.84Å; H127-H166 PolarHBondContact ND1-NE2 3.49Å; H127-A274 WeakPolarHBondContact NE2-CB 3.5Å; H127-L275 HydrophobicContact CB-CD1 4.16Å |
| 128 | S | 89 | Confident | 82.7 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 108.9 | 179.2 | 155.6 | 0 | 0 | 0 | 0 | 110.7 | D163 | S128-D163 WeakPolarHBondContact CB-OD1 3.36Å; S128-D163 PolarHBondContact OG-OD1 3.03Å |
| 129 | W | 86.4 | Confident | 84.4 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 110.8 | 172.4 | -99.6 | -91.5 | 0 | 0 | 0 | 111.5 | H127 F161 C162 F164 L261 M271 L272 L275 | H127-W129 HydrophobicContact CB-CE3 4.08Å; H127-W129 HydrophobicContact CB-CZ3 3.53Å; W129-F161 CarbonylContact O-C 3.48Å; W129-F161 VanDerWaalsContact O-CA 3.28Å; W129-F161 WeakPolarHBondContact O-CA 3.3Å; W129-C162 PolarHBondContact N-O 3.49Å; W129-C162 PolarHBondContact O-N 3.1Å; W129-F164 HydrophobicContact CE3-CD2 4.03Å; W129-F164 HydrophobicContact CE3-CE2 4.1Å; W129-F164 HydrophobicContact CZ3-CD2 4.4Å; W129-L261 HydrophobicContact CD2-CD1 4.15Å; W129-L261 HydrophobicContact CG-CD1 4.4Å; W129-L261 HydrophobicContact CG-CD2 4.13Å; W129-L261 HydrophobicContact CZ2-CD1 4.2Å; W129-M271 HydrophobicContact CD2-CE 3.99Å; W129-M271 VanDerWaalsContact CE2-CE 3.4Å; W129-M271 HydrophobicContact CG-CE 4.49Å; W129-M271 HydrophobicContact CH2-CE 4.08Å; W129-M271 HydrophobicContact CH2-CG 3.93Å; W129-M271 WeakPolarHBondContact CH2-O 3.46Å; W129-M271 HydrophobicContact CZ2-CE 3.48Å; W129-M271 VanDerWaalsContact CZ2-CE 3.48Å; W129-M271 HydrophobicContact CZ2-CG 4.11Å; W129-L272 HydrophobicContact CZ2-CB 4.33Å; W129-L275 HydrophobicContact CE3-CD2 4Å; W129-L275 HydrophobicContact CH2-CB 3.36Å; W129-L275 HydrophobicContact CH2-CD2 3.49Å; W129-L275 VanDerWaalsContact CH2-CD2 3.49Å; W129-L275 HydrophobicContact CH2-CG 3.9Å; W129-L275 HydrophobicContact CZ2-CD2 4.28Å; W129-L275 HydrophobicContact CZ3-CB 3.5Å; W129-L275 HydrophobicContact CZ3-CD1 3.84Å; W129-L275 HydrophobicContact CZ3-CD2 3.32Å; W129-L275 HydrophobicContact CZ3-CG 3.68Å |
| 130 | K | 82.6 | Confident | 85.8 | Confident | 167 Ų | 167 | 45.8 Ų | 45.8 | 73% | 0.726 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -79.6 | -29.5 | 176.8 | -64.4 | -178.3 | -178.4 | 175.6 | 0 | 113.2 | ||
| 131 | Y | 78.4 | Confident | 86.6 | Confident | 116 Ų | 116 | 38.6 Ų | 38.6 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | trans | -115.6 | 107.3 | -177.4 | -171.7 | -92.8 | 0 | 0 | 0 | 111.4 | A133 R154 W211 K262 | Y131-A133 HydrophobicContact CE1-CB 4.1Å; Y131-R154 PolarHBondContact OH-NH1 2.69Å; Y131-W211 HydrophobicContact CE1-CH2 4.34Å; Y131-W211 HydrophobicContact CE1-CZ3 4.38Å; Y131-K262 HydrophobicContact CD1-CB 3.96Å; Y131-K262 HydrophobicContact CD1-CD 4.33Å; Y131-K262 HydrophobicContact CE1-CB 4.15Å; Y131-K262 HydrophobicContact CE1-CD 4.12Å | ||
| 132 | I | 84.1 | Confident | 86.8 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112.3 | 173.9 | -54.4 | 170.8 | 0 | 0 | 0 | 107.7 | D134 I135 R154 V159 C162 L259 R260 L261 | I132-D134 VanDerWaalsContact C-N 3.34Å; I132-D134 WeakPolarHBondContact CG2-O 3.1Å; I132-D134 PolarHBondContact O-N 2.89Å; I132-I135 HydrophobicContact CD1-CD1 4.42Å; I132-I135 HydrophobicContact CG2-CD1 4.36Å; I132-I135 HydrophobicContact CG2-CG1 3.75Å; I132-R154 VanDerWaalsContact C-NH2 3.29Å; I132-R154 PolarHBondContact O-NE 3.15Å; I132-R154 PolarHBondContact O-NH2 2.79Å; I132-V159 HydrophobicContact CD1-CG1 3.92Å; I132-C162 HydrophobicContact CD1-CB 3.24Å; I132-C162 HydrophobicContact CG1-CB 4.24Å; I132-L259 HydrophobicContact CG2-CB 4.43Å; I132-L259 HydrophobicContact CG2-CD2 4.4Å; I132-R260 CarbonylContact C-O 3.58Å; I132-L261 HydrophobicContact CG1-CD2 4.11Å; I132-L261 HydrophobicContact CG2-CD2 4.31Å |
| 133 | A | 84.7 | Confident | 86.6 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -33 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y131 R154 W211 R260 | Y131-A133 HydrophobicContact CE1-CB 4.1Å; A133-R154 VanDerWaalsContact CA-CZ 3.49Å; A133-R154 VanDerWaalsContact O-CD 3.27Å; A133-R154 WeakPolarHBondContact O-CD 3.39Å; A133-R154 PolarHBondContact O-NE 3.44Å; A133-R154 VanDerWaalsContact O-NE 3.09Å; A133-W211 HydrophobicContact CB-CE3 3.95Å; A133-W211 HydrophobicContact CB-CH2 3.61Å; A133-W211 HydrophobicContact CB-CZ3 3.15Å; A133-R260 HydrophobicContact CB-CB 4.31Å; A133-R260 HydrophobicContact CB-CG 3.97Å; A133-R260 PolarHBondContact N-O 2.91Å |
| 134 | D | 87.3 | Confident | 86.1 | Confident | 40 Ų | 40 | 34.4 Ų | 34.4 | 21% | 0.214 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 148.5 | 179.7 | -159.2 | 3.6 | 0 | 0 | 0 | 111.2 | I132 N136 R260 | I132-D134 VanDerWaalsContact C-N 3.34Å; I132-D134 WeakPolarHBondContact CG2-O 3.1Å; I132-D134 PolarHBondContact O-N 2.89Å; D134-N136 PolarHBondContact OD1-ND2 3.22Å; D134-N136 PolarHBondContact OD2-ND2 3.32Å; D134-R260 HydrophobicContact CB-CB 3.83Å; D134-R260 PolarHBondContact O-N 3.49Å |
| 135 | I | 90.9 | Very high | 86 | Confident | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 115.9 | 173.9 | -56.3 | 174.8 | 0 | 0 | 0 | 107.1 | I132 F152 V159 I173 M258 L259 | I132-I135 HydrophobicContact CD1-CD1 4.42Å; I132-I135 HydrophobicContact CG2-CD1 4.36Å; I132-I135 HydrophobicContact CG2-CG1 3.75Å; I135-F152 HydrophobicContact CB-CB 3.78Å; I135-F152 HydrophobicContact CB-CG 4.31Å; I135-F152 WeakPolarHBondContact O-CB 3.31Å; I135-F152 PolarHBondContact O-N 3Å; I135-V159 HydrophobicContact CD1-CG2 3.89Å; I135-I173 HydrophobicContact CD1-CG2 3.94Å; I135-M258 WeakPolarHBondContact CA-O 3.19Å; I135-L259 HydrophobicContact CB-CD2 4.48Å; I135-L259 HydrophobicContact CD1-CD2 4.46Å; I135-L259 HydrophobicContact CG1-CD2 3.93Å; I135-L259 HydrophobicContact CG2-CD2 4.12Å |
| 136 | N | 92.8 | Very high | 86 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 5% | 0.053 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.8 | 177.3 | -67.8 | -85.2 | 0 | 0 | 0 | 110.7 | D134 F146 S148 A151 M258 | D134-N136 PolarHBondContact OD1-ND2 3.22Å; D134-N136 PolarHBondContact OD2-ND2 3.32Å; N136-F146 HydrophobicContact CB-CE1 4.01Å; N136-F146 HydrophobicContact CB-CZ 4.06Å; N136-S148 PolarHBondContact OD1-OG 2.97Å; N136-A151 WeakPolarHBondContact OD1-CA 3.45Å; N136-A151 WeakPolarHBondContact OD1-CB 3.44Å; N136-M258 HydrophobicContact CB-CB 4.2Å; N136-M258 HydrophobicContact CB-CE 4.23Å; N136-M258 PolarHBondContact N-O 3.22Å; N136-M258 WeakPolarHBondContact ND2-CE 3.39Å; N136-M258 PolarHBondContact O-N 3.01Å |
| 137 | L | 94.4 | Very high | 86.1 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 135.7 | 169.1 | -56.7 | -179.6 | 0 | 0 | 0 | 108.8 | V149 C150 L243 F251 C254 I257 | L137-V149 PolarHBondContact O-N 3.24Å; L137-C150 HydrophobicContact CB-CB 4.35Å; L137-C150 PolarHBondContact N-O 3.13Å; L137-C150 PolarHBondContact O-N 3.29Å; L137-L243 HydrophobicContact CD1-CD1 3.93Å; L137-F251 HydrophobicContact CD1-CD2 3.71Å; L137-F251 HydrophobicContact CD1-CE2 4.07Å; L137-C254 HydrophobicContact CB-CB 4.14Å; L137-I257 HydrophobicContact CD2-CB 4.32Å; L137-I257 HydrophobicContact CD2-CG1 3.87Å; L137-I257 HydrophobicContact CD2-CG2 4.19Å |
| 138 | G | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | -152.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F147 C254 S255 V256 | G138-F147 WeakPolarHBondContact CA-O 3.49Å; G138-C254 CarbonylContact O-C 3.52Å; G138-C254 WeakPolarHBondContact O-CA 3.47Å; G138-S255 PolarHBondContact O-N 2.6Å; G138-V256 PolarHBondContact N-O 2.91Å; G138-V256 PolarHBondContact O-N 3.23Å |
| 139 | Y | 92.6 | Very high | 86.2 | Confident | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 159.2 | 179.1 | 66.7 | -85.3 | 0 | 0 | 0 | 111 | L141 F147 V149 L297 L326 S330 | Y139-L141 HydrophobicContact CE2-CB 4.44Å; Y139-F147 HydrophobicContact CD1-CB 4.04Å; Y139-F147 HydrophobicContact CD2-CB 4.43Å; Y139-F147 HydrophobicContact CE1-CB 3.56Å; Y139-F147 HydrophobicContact CE1-CG 4.31Å; Y139-F147 HydrophobicContact CE2-CB 4.01Å; Y139-F147 AromaticContact CE2-CD2 3.9Å; Y139-F147 HydrophobicContact CE2-CD2 3.9Å; Y139-F147 HydrophobicContact CE2-CG 4.08Å; Y139-F147 HydrophobicContact CG-CB 4.46Å; Y139-F147 AromaticContact CZ-CG 3.79Å; Y139-F147 PolarHBondContact N-O 3.31Å; Y139-F147 PolarHBondContact O-N 3.39Å; Y139-V149 HydrophobicContact CD1-CG2 3.91Å; Y139-V149 HydrophobicContact CE1-CG2 3.95Å; Y139-L297 HydrophobicContact CE1-CD1 4.27Å; Y139-L326 HydrophobicContact CD1-CB 3.34Å; Y139-L326 HydrophobicContact CD1-CD1 4.12Å; Y139-L326 HydrophobicContact CD1-CG 4.36Å; Y139-L326 HydrophobicContact CE1-CB 3.65Å; Y139-L326 HydrophobicContact CE1-CD1 4.39Å; Y139-L326 HydrophobicContact CG-CB 3.87Å; Y139-S330 WeakPolarHBondContact CE2-OG 3.39Å; Y139-S330 VanDerWaalsContact OH-CB 3.23Å; Y139-S330 WeakPolarHBondContact OH-CB 3.45Å |
| 140 | F | 89.7 | Confident | 86.3 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.7 | 169.5 | -83.7 | -60.9 | 0 | 0 | 0 | 110.4 | G142 E145 F146 Y202 T204 Y215 V256 V292 S327 | F140-G142 WeakPolarHBondContact CB-O 3.29Å; F140-E145 WeakPolarHBondContact CA-O 3.38Å; F140-E145 WeakPolarHBondContact CD1-O 3.38Å; F140-F146 HydrophobicContact CD1-CB 4.04Å; F140-F146 HydrophobicContact CE1-CB 3.68Å; F140-F146 HydrophobicContact CE1-CD2 4.48Å; F140-F146 HydrophobicContact CZ-CB 4.36Å; F140-Y202 HydrophobicContact CD2-CE2 4.38Å; F140-Y202 HydrophobicContact CE2-CE2 4.46Å; F140-T204 HydrophobicContact CZ-CG2 4.48Å; F140-Y215 HydrophobicContact CE1-CD1 4.43Å; F140-Y215 HydrophobicContact CE2-CD1 4.22Å; F140-Y215 HydrophobicContact CE2-CG 4.13Å; F140-Y215 AromaticContact CZ-CD1 3.64Å; F140-Y215 HydrophobicContact CZ-CD1 3.64Å; F140-Y215 HydrophobicContact CZ-CD2 4.3Å; F140-Y215 HydrophobicContact CZ-CE1 4.32Å; F140-Y215 AromaticContact CZ-CG 3.63Å; F140-Y215 HydrophobicContact CZ-CG 3.63Å; F140-V256 HydrophobicContact CD2-CG1 4.26Å; F140-V256 HydrophobicContact CD2-CG2 3.48Å; F140-V256 VanDerWaalsContact CD2-CG2 3.48Å; F140-V256 HydrophobicContact CE2-CG1 3.94Å; F140-V256 HydrophobicContact CE2-CG2 4.01Å; F140-V256 HydrophobicContact CG-CG2 4.24Å; F140-V292 HydrophobicContact CE1-CG1 3.82Å; F140-V292 HydrophobicContact CE1-CG2 4.27Å; F140-V292 HydrophobicContact CZ-CG1 4.38Å; F140-V292 HydrophobicContact CZ-CG2 4.36Å; F140-S327 VanDerWaalsContact O-CB 3.23Å; F140-S327 WeakPolarHBondContact O-CB 3.44Å |
| 141 | L | 82 | Confident | 86.5 | Confident | 38 Ų | 38 | 26.1 Ų | 26.1 | 20% | 0.199 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -104 | 93 | 165.2 | -174.8 | 65.1 | 0 | 0 | 0 | 108.9 | Y139 E145 F147 Q331 | Y139-L141 HydrophobicContact CE2-CB 4.44Å; L141-E145 PolarHBondContact N-O 2.99Å; L141-F147 HydrophobicContact CB-CD2 4.09Å; L141-F147 HydrophobicContact CB-CE2 3.74Å; L141-F147 HydrophobicContact CD2-CE2 4.12Å; L141-Q331 HydrophobicContact CD1-CG 3.51Å |
| 142 | G | 74.1 | Confident | 86.8 | Confident | 33 Ų | 33 | 21 Ų | 21 | 34% | 0.34 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 66.5 | -168 | -164.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F140 G144 | F140-G142 WeakPolarHBondContact CB-O 3.29Å; G142-G144 PolarHBondContact O-N 2.93Å |
| 143 | I | 67.8 | Low | 86.7 | Confident | 25 Ų | 25 | 24.6 Ų | 24.6 | 13% | 0.128 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -87.2 | 115.6 | -177.4 | -48.3 | 178.6 | 0 | 0 | 0 | 109.8 | I20 T64 P108 F110 E367 | I20-I143 HydrophobicContact CB-CD1 4.08Å; I20-I143 HydrophobicContact CG2-CD1 3.36Å; T64-I143 HydrophobicContact CG2-CD1 4.36Å; P108-I143 WeakPolarHBondContact CB-O 3.4Å; P108-I143 VanDerWaalsContact CG-O 3.27Å; P108-I143 WeakPolarHBondContact CG-O 3.49Å; F110-I143 HydrophobicContact CB-CG2 4.01Å; F110-I143 HydrophobicContact CD1-CG2 3.98Å; F110-I143 HydrophobicContact CD2-CB 4.11Å; F110-I143 HydrophobicContact CD2-CG2 3.2Å; F110-I143 HydrophobicContact CE1-CG2 4.33Å; F110-I143 HydrophobicContact CE2-CB 4.41Å; F110-I143 HydrophobicContact CE2-CG2 3.61Å; F110-I143 HydrophobicContact CG-CG2 3.42Å; F110-I143 VanDerWaalsContact CG-CG2 3.42Å; F110-I143 HydrophobicContact CZ-CG2 4.16Å; I143-E367 WeakPolarHBondContact CG1-OE2 3.24Å |
| 144 | G | 75.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 110 | -10.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | G142 V292 T293 | G142-G144 PolarHBondContact O-N 2.93Å; G144-V292 CarbonylContact O-C 3.54Å; G144-V292 WeakPolarHBondContact O-CA 3.45Å; G144-V292 WeakPolarHBondContact O-CG1 3.49Å; G144-T293 PolarHBondContact O-N 2.88Å; G144-T293 PolarHBondContact O-OG1 3.26Å |
| 145 | E | 85.2 | Confident | 86.1 | Confident | 66 Ų | 66 | 34.6 Ų | 34.6 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 101.3 | 172.2 | -69.2 | 178.2 | -171.4 | 0 | 0 | 109.2 | F140 L141 F147 | F140-E145 WeakPolarHBondContact CA-O 3.38Å; F140-E145 WeakPolarHBondContact CD1-O 3.38Å; L141-E145 PolarHBondContact N-O 2.99Å; E145-F147 HydrophobicContact CB-CE2 4.14Å |
| 146 | F | 91.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.1 | 177.5 | 174.7 | -107.3 | 0 | 0 | 0 | 110.2 | N136 F140 Y215 V256 M258 V292 T293 I294 E295 | N136-F146 HydrophobicContact CB-CE1 4.01Å; N136-F146 HydrophobicContact CB-CZ 4.06Å; F140-F146 HydrophobicContact CD1-CB 4.04Å; F140-F146 HydrophobicContact CE1-CB 3.68Å; F140-F146 HydrophobicContact CE1-CD2 4.48Å; F140-F146 HydrophobicContact CZ-CB 4.36Å; F146-Y215 HydrophobicContact CB-CD1 4.35Å; F146-Y215 HydrophobicContact CB-CE1 3.82Å; F146-Y215 HydrophobicContact CD1-CD1 4.41Å; F146-Y215 AromaticContact CD1-CE1 3.72Å; F146-Y215 HydrophobicContact CD1-CE1 3.72Å; F146-Y215 AromaticContact CD2-CD1 3.9Å; F146-Y215 HydrophobicContact CD2-CD1 3.9Å; F146-Y215 AromaticContact CD2-CE1 3.99Å; F146-Y215 HydrophobicContact CD2-CE1 3.99Å; F146-Y215 HydrophobicContact CE1-CE1 4.25Å; F146-Y215 HydrophobicContact CE2-CD1 4.29Å; F146-Y215 HydrophobicContact CE2-CE1 4.5Å; F146-Y215 AromaticContact CG-CD1 3.96Å; F146-Y215 HydrophobicContact CG-CD1 3.96Å; F146-Y215 AromaticContact CG-CE1 3.56Å; F146-Y215 HydrophobicContact CG-CE1 3.56Å; F146-V256 HydrophobicContact CD2-CB 4.3Å; F146-V256 HydrophobicContact CD2-CG1 3.95Å; F146-V256 HydrophobicContact CE2-CB 3.86Å; F146-V256 HydrophobicContact CE2-CG1 3.64Å; F146-M258 HydrophobicContact CE1-CB 4.19Å; F146-M258 HydrophobicContact CZ-CB 3.97Å; F146-V292 HydrophobicContact CB-CG1 3.53Å; F146-T293 PolarHBondContact N-O 3.28Å; F146-I294 HydrophobicContact CD1-CG1 4.31Å; F146-I294 HydrophobicContact CD1-CG2 4.17Å; F146-I294 WeakPolarHBondContact O-CA 3.28Å; F146-E295 PolarHBondContact O-N 2.93Å |
| 147 | F | 92.5 | Very high | 85.2 | Confident | 38 Ų | 38 | 36 Ų | 36 | 17% | 0.167 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 110.3 | 173.7 | -73.3 | -94.4 | 0 | 0 | 0 | 109.2 | G138 Y139 L141 E145 E295 | G138-F147 WeakPolarHBondContact CA-O 3.49Å; Y139-F147 HydrophobicContact CD1-CB 4.04Å; Y139-F147 HydrophobicContact CD2-CB 4.43Å; Y139-F147 HydrophobicContact CE1-CB 3.56Å; Y139-F147 HydrophobicContact CE1-CG 4.31Å; Y139-F147 HydrophobicContact CE2-CB 4.01Å; Y139-F147 AromaticContact CE2-CD2 3.9Å; Y139-F147 HydrophobicContact CE2-CD2 3.9Å; Y139-F147 HydrophobicContact CE2-CG 4.08Å; Y139-F147 HydrophobicContact CG-CB 4.46Å; Y139-F147 AromaticContact CZ-CG 3.79Å; Y139-F147 PolarHBondContact N-O 3.31Å; Y139-F147 PolarHBondContact O-N 3.39Å; L141-F147 HydrophobicContact CB-CD2 4.09Å; L141-F147 HydrophobicContact CB-CE2 3.74Å; L141-F147 HydrophobicContact CD2-CE2 4.12Å; E145-F147 HydrophobicContact CB-CE2 4.14Å; F147-E295 CarbonylContact C-O 3.53Å; F147-E295 WeakPolarHBondContact CA-O 3.15Å; F147-E295 HydrophobicContact CD1-CB 3.94Å; F147-E295 HydrophobicContact CE1-CB 3.82Å; F147-E295 HydrophobicContact CE1-CG 4.48Å; F147-E295 HydrophobicContact CZ-CB 4.32Å |
| 148 | S | 92.3 | Very high | 84.7 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 124.7 | 175.2 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | N136 E295 L297 | N136-S148 PolarHBondContact OD1-OG 2.97Å; S148-E295 PolarHBondContact N-O 3.47Å; S148-L297 PolarHBondContact O-N 3.48Å; S148-L297 VanDerWaalsContact O-N 3.13Å |
| 149 | V | 91.3 | Very high | 84 | Confident | 37 Ų | 37 | 41 Ų | 41 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -45.7 | -174.7 | -178 | 0 | 0 | 0 | 0 | 110.8 | L137 Y139 T250 L297 L326 | L137-V149 PolarHBondContact O-N 3.24Å; Y139-V149 HydrophobicContact CD1-CG2 3.91Å; Y139-V149 HydrophobicContact CE1-CG2 3.95Å; V149-T250 HydrophobicContact CG1-CG2 3.57Å; V149-L297 HydrophobicContact CB-CD2 4.5Å; V149-L297 HydrophobicContact CG1-CD2 4.03Å; V149-L297 HydrophobicContact CG2-CB 4.29Å; V149-L297 HydrophobicContact CG2-CD2 3.93Å; V149-L326 HydrophobicContact CB-CD1 4.31Å; V149-L326 HydrophobicContact CG1-CD1 3.92Å; V149-L326 HydrophobicContact CG2-CD1 3.74Å |
| 150 | C | 88.6 | Confident | 83.4 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 117 | 176.4 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | L137 C246 | L137-C150 HydrophobicContact CB-CB 4.35Å; L137-C150 PolarHBondContact N-O 3.13Å; L137-C150 PolarHBondContact O-N 3.29Å; C150-C246 HydrophobicContact CB-CB 4.08Å; C150-C246 PolarHBondContact SG-SG 3.24Å |
| 151 | A | 86.5 | Confident | 83.3 | Confident | 55 Ų | 55 | 47 Ų | 47 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 140.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N136 D153 | N136-A151 WeakPolarHBondContact OD1-CA 3.45Å; N136-A151 WeakPolarHBondContact OD1-CB 3.44Å; A151-D153 PolarHBondContact O-N 3.37Å |
| 152 | F | 84.3 | Confident | 83.8 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | trans | -73.2 | 113.1 | 173.3 | -179.4 | -89 | 0 | 0 | 0 | 110.6 | I135 R154 Y157 V159 F175 F245 | I135-F152 HydrophobicContact CB-CB 3.78Å; I135-F152 HydrophobicContact CB-CG 4.31Å; I135-F152 WeakPolarHBondContact O-CB 3.31Å; I135-F152 PolarHBondContact O-N 3Å; F152-R154 HydrophobicContact CD1-CG 4.1Å; F152-R154 HydrophobicContact CE1-CG 4.1Å; F152-R154 PolarHBondContact O-N 3.31Å; F152-R154 VanDerWaalsContact O-N 3.13Å; F152-Y157 HydrophobicContact CE2-CG 4.13Å; F152-Y157 HydrophobicContact CZ-CG 4.15Å; F152-V159 HydrophobicContact CD1-CG2 4.23Å; F152-V159 HydrophobicContact CE1-CG2 3.44Å; F152-V159 VanDerWaalsContact CE1-CG2 3.44Å; F152-V159 HydrophobicContact CE2-CG2 4.18Å; F152-V159 HydrophobicContact CZ-CG2 3.38Å; F152-F175 HydrophobicContact CE2-CB 3.93Å; F152-F175 HydrophobicContact CE2-CD1 4.23Å; F152-F175 AromaticContact CE2-CD2 3.58Å; F152-F175 HydrophobicContact CE2-CD2 3.58Å; F152-F175 HydrophobicContact CE2-CE2 4.04Å; F152-F175 AromaticContact CE2-CG 3.66Å; F152-F175 HydrophobicContact CE2-CG 3.66Å; F152-F175 HydrophobicContact CZ-CB 3.95Å; F152-F175 HydrophobicContact CZ-CD2 4.26Å; F152-F175 HydrophobicContact CZ-CG 4.2Å; F152-F245 AromaticContact CD2-CE1 3.81Å; F152-F245 HydrophobicContact CD2-CE1 3.81Å; F152-F245 AromaticContact CD2-CZ 3.81Å; F152-F245 HydrophobicContact CD2-CZ 3.81Å; F152-F245 HydrophobicContact CE2-CE1 4.27Å | ||
| 153 | D | 82.3 | Confident | 84.7 | Confident | 76 Ų | 76 | 44.2 Ų | 44.2 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | trans | -77.3 | 102.5 | 178.1 | -176.4 | 12.9 | 0 | 0 | 0 | 112 | A151 K155 A156 Y157 | A151-D153 PolarHBondContact O-N 3.37Å; D153-K155 PolarHBondContact O-N 3.25Å; D153-K155 VanDerWaalsContact O-N 3.16Å; D153-K155 VanDerWaalsContact OD1-CB 3.27Å; D153-K155 WeakPolarHBondContact OD1-CB 3.44Å; D153-K155 PolarHBondContact OD1-N 2.71Å; D153-A156 HydrophobicContact CB-CB 4.23Å; D153-A156 PolarHBondContact O-N 2.83Å; D153-Y157 WeakPolarHBondContact O-CD2 3.49Å; D153-Y157 PolarHBondContact O-N 2.94Å | ||
| 154 | R | 79.2 | Confident | 85.9 | Confident | 84 Ų | 84 | 43.1 Ų | 43.1 | 32% | 0.317 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -16 | 172.8 | -85.8 | -175.5 | 152 | -155.5 | -9.8 | 114.4 | Y131 I132 A133 F152 A156 K178 | Y131-R154 PolarHBondContact OH-NH1 2.69Å; I132-R154 VanDerWaalsContact C-NH2 3.29Å; I132-R154 PolarHBondContact O-NE 3.15Å; I132-R154 PolarHBondContact O-NH2 2.79Å; A133-R154 VanDerWaalsContact CA-CZ 3.49Å; A133-R154 VanDerWaalsContact O-CD 3.27Å; A133-R154 WeakPolarHBondContact O-CD 3.39Å; A133-R154 PolarHBondContact O-NE 3.44Å; A133-R154 VanDerWaalsContact O-NE 3.09Å; F152-R154 HydrophobicContact CD1-CG 4.1Å; F152-R154 HydrophobicContact CE1-CG 4.1Å; F152-R154 PolarHBondContact O-N 3.31Å; F152-R154 VanDerWaalsContact O-N 3.13Å; R154-A156 VanDerWaalsContact C-N 3.33Å; R154-K178 WeakPolarHBondContact O-CE 3.43Å; R154-K178 PolarHBondContact O-NZ 3.01Å |
| 155 | K | 79.8 | Confident | 86.8 | Confident | 182 Ų | 182 | 44 Ų | 44 | 79% | 0.791 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -29.2 | 172 | -62.9 | 177.5 | -179.2 | 173.2 | 0 | 111.6 | D153 K178 | D153-K155 PolarHBondContact O-N 3.25Å; D153-K155 VanDerWaalsContact O-N 3.16Å; D153-K155 VanDerWaalsContact OD1-CB 3.27Å; D153-K155 WeakPolarHBondContact OD1-CB 3.44Å; D153-K155 PolarHBondContact OD1-N 2.71Å; K155-K178 VanDerWaalsContact O-CD 3.26Å; K155-K178 WeakPolarHBondContact O-CD 3.48Å |
| 156 | A | 82 | Confident | 87.2 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -25.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D153 R154 K178 | D153-A156 HydrophobicContact CB-CB 4.23Å; D153-A156 PolarHBondContact O-N 2.83Å; R154-A156 VanDerWaalsContact C-N 3.33Å; A156-K178 WeakPolarHBondContact O-CB 3.29Å; A156-K178 PolarHBondContact O-N 3.04Å |
| 157 | Y | 84.5 | Confident | 87.1 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.3 | -173.2 | -57.7 | -85 | 0 | 0 | 0 | 113.6 | F152 D153 F175 A176 E177 K178 P244 F245 | F152-Y157 HydrophobicContact CE2-CG 4.13Å; F152-Y157 HydrophobicContact CZ-CG 4.15Å; D153-Y157 WeakPolarHBondContact O-CD2 3.49Å; D153-Y157 PolarHBondContact O-N 2.94Å; Y157-F175 HydrophobicContact CD1-CD2 4.24Å; Y157-F175 HydrophobicContact CD1-CE2 4.49Å; Y157-A176 CarbonylContact C-O 3.54Å; Y157-A176 WeakPolarHBondContact CA-O 3.41Å; Y157-A176 WeakPolarHBondContact CB-O 3.42Å; Y157-E177 HydrophobicContact CD1-CB 4Å; Y157-E177 HydrophobicContact CD1-CG 4.33Å; Y157-E177 HydrophobicContact CE1-CB 3.87Å; Y157-E177 HydrophobicContact CE1-CG 3.95Å; Y157-K178 WeakPolarHBondContact O-CE 3.42Å; Y157-P244 HydrophobicContact CE1-CB 4.17Å; Y157-P244 HydrophobicContact CE1-CG 4.33Å; Y157-P244 WeakPolarHBondContact OH-CB 3.22Å; Y157-F245 HydrophobicContact CD2-CD1 4.21Å; Y157-F245 HydrophobicContact CE2-CB 4.5Å; Y157-F245 AromaticContact CE2-CD1 3.78Å; Y157-F245 HydrophobicContact CE2-CD1 3.78Å |
| 158 | D | 83.3 | Confident | 86.9 | Confident | 82 Ų | 82 | 41.3 Ų | 41.3 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.4 | 169.9 | -78.8 | -43.8 | 0 | 0 | 0 | 110.2 | F175 A176 K178 | D158-F175 CarbonylContact O-C 3.58Å; D158-F175 WeakPolarHBondContact O-CA 3.28Å; D158-F175 VanDerWaalsContact O-CB 3.3Å; D158-F175 WeakPolarHBondContact O-CB 3.27Å; D158-A176 PolarHBondContact N-O 3.46Å; D158-A176 PolarHBondContact O-N 3.5Å; D158-K178 WeakPolarHBondContact OD1-CE 3.34Å; D158-K178 IonicContact OD1-NZ 3.89Å; D158-K178 PolarHBondContact OD1-NZ 3.08Å; D158-K178 WeakPolarHBondContact OD2-CE 3.37Å; D158-K178 WeakPolarHBondContact OD2-CG 3.47Å |
| 159 | V | 80.3 | Confident | 86.9 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 17% | 0.17 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 127 | 169.6 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | I132 I135 F152 F175 | I132-V159 HydrophobicContact CD1-CG1 3.92Å; I135-V159 HydrophobicContact CD1-CG2 3.89Å; F152-V159 HydrophobicContact CD1-CG2 4.23Å; F152-V159 HydrophobicContact CE1-CG2 3.44Å; F152-V159 VanDerWaalsContact CE1-CG2 3.44Å; F152-V159 HydrophobicContact CE2-CG2 4.18Å; F152-V159 HydrophobicContact CZ-CG2 3.38Å; V159-F175 HydrophobicContact CG2-CB 4.32Å |
| 160 | F | 79.2 | Confident | 87 | Confident | 79 Ų | 79 | 46.2 Ų | 46.2 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -48.9 | 176.7 | -70.3 | -83.7 | 0 | 0 | 0 | 111.8 | V174 A176 R190 | F160-V174 HydrophobicContact CD2-CG1 4.11Å; F160-V174 PolarHBondContact N-O 2.95Å; F160-A176 HydrophobicContact CE2-CB 3.51Å; F160-A176 HydrophobicContact CZ-CB 4.08Å; F160-R190 HydrophobicContact CE2-CG 4.26Å |
| 161 | F | 87 | Confident | 87.3 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 28% | 0.281 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 160.4 | 179.7 | 58.8 | -91.7 | 0 | 0 | 0 | 112 | W129 D163 V174 | W129-F161 CarbonylContact O-C 3.48Å; W129-F161 VanDerWaalsContact O-CA 3.28Å; W129-F161 WeakPolarHBondContact O-CA 3.3Å; F161-D163 HydrophobicContact CD2-CB 4.11Å; F161-D163 VanDerWaalsContact CD2-CG 3.49Å; F161-D163 VanDerWaalsContact CD2-OD1 3.25Å; F161-D163 WeakPolarHBondContact CD2-OD1 3.26Å; F161-D163 HydrophobicContact CE2-CB 4.27Å; F161-V174 HydrophobicContact CD1-CB 4.45Å; F161-V174 HydrophobicContact CE1-CB 3.97Å; F161-V174 HydrophobicContact CE1-CG1 4.41Å; F161-V174 HydrophobicContact CE1-CG2 4.13Å; F161-V174 HydrophobicContact CE2-CB 4.25Å; F161-V174 HydrophobicContact CE2-CG2 3.79Å; F161-V174 HydrophobicContact CZ-CB 3.87Å; F161-V174 HydrophobicContact CZ-CG2 3.51Å; F161-V174 PolarHBondContact O-N 3.23Å |
| 162 | C | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.4 | 158.9 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | W129 I132 F164 E172 I173 | W129-C162 PolarHBondContact N-O 3.49Å; W129-C162 PolarHBondContact O-N 3.1Å; I132-C162 HydrophobicContact CD1-CB 3.24Å; I132-C162 HydrophobicContact CG1-CB 4.24Å; C162-F164 HydrophobicContact CB-CE2 4.48Å; C162-F164 WeakPolarHBondContact SG-CE2 3.28Å; C162-E172 CarbonylContact C-O 3.54Å; C162-E172 WeakPolarHBondContact CA-O 3.41Å; C162-I173 HydrophobicContact CB-CG1 3.86Å; C162-I173 VanDerWaalsContact SG-CG1 3.54Å |
| 163 | D | 93.2 | Very high | 88.2 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.6 | 177.8 | -82.2 | 11.2 | 0 | 0 | 0 | 109.2 | R126 S128 F161 E165 M171 E172 | R126-D163 IonicContact CZ-OD2 3.66Å; R126-D163 IonicContact NH1-OD2 2.77Å; R126-D163 PolarHBondContact NH1-OD2 3.08Å; S128-D163 WeakPolarHBondContact CB-OD1 3.36Å; S128-D163 PolarHBondContact OG-OD1 3.03Å; F161-D163 HydrophobicContact CD2-CB 4.11Å; F161-D163 VanDerWaalsContact CD2-CG 3.49Å; F161-D163 VanDerWaalsContact CD2-OD1 3.25Å; F161-D163 WeakPolarHBondContact CD2-OD1 3.26Å; F161-D163 HydrophobicContact CE2-CB 4.27Å; D163-E165 HydrophobicContact CB-CG 4.17Å; D163-M171 CarbonylContact O-C 3.24Å; D163-M171 VanDerWaalsContact O-CA 3.24Å; D163-M171 WeakPolarHBondContact O-CA 3.48Å; D163-E172 PolarHBondContact N-O 2.64Å; D163-E172 PolarHBondContact O-N 2.87Å |
| 164 | F | 94.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 90.7 | 167.5 | -65.6 | -94.8 | 0 | 0 | 0 | 108.5 | R126 H127 W129 C162 H166 M171 L259 L275 | R126-F164 VanDerWaalsContact CA-O 3.31Å; R126-F164 WeakPolarHBondContact CA-O 3.39Å; H127-F164 HydrophobicContact CB-CB 4.47Å; H127-F164 PolarHBondContact N-O 3.36Å; H127-F164 PolarHBondContact O-N 3.28Å; W129-F164 HydrophobicContact CE3-CD2 4.03Å; W129-F164 HydrophobicContact CE3-CE2 4.1Å; W129-F164 HydrophobicContact CZ3-CD2 4.4Å; C162-F164 HydrophobicContact CB-CE2 4.48Å; C162-F164 WeakPolarHBondContact SG-CE2 3.28Å; F164-H166 PolarHBondContact O-CD2 3.23Å; F164-H166 PolarHBondContact O-N 3.3Å; F164-M171 HydrophobicContact CD1-CB 4.26Å; F164-M171 HydrophobicContact CD1-CG 3.91Å; F164-M171 HydrophobicContact CD1-SD 4.14Å; F164-M171 HydrophobicContact CE1-CG 3.86Å; F164-M171 HydrophobicContact CE1-SD 3.48Å; F164-M171 WeakPolarHBondContact CE1-SD 3.48Å; F164-M171 HydrophobicContact CG-CG 4.41Å; F164-M171 HydrophobicContact CZ-CG 4.32Å; F164-M171 HydrophobicContact CZ-SD 3.82Å; F164-L259 HydrophobicContact CZ-CD1 3.87Å; F164-L275 HydrophobicContact CB-CD1 3.47Å; F164-L275 VanDerWaalsContact CB-CD1 3.47Å; F164-L275 HydrophobicContact CD1-CD1 3.65Å; F164-L275 HydrophobicContact CD2-CD1 3.55Å; F164-L275 HydrophobicContact CD2-CD2 4.15Å; F164-L275 HydrophobicContact CE1-CD1 4.19Å; F164-L275 HydrophobicContact CE1-CD2 4.43Å; F164-L275 HydrophobicContact CE2-CD1 4.11Å; F164-L275 HydrophobicContact CE2-CD2 3.88Å; F164-L275 HydrophobicContact CG-CD1 3.28Å; F164-L275 HydrophobicContact CZ-CD1 4.4Å; F164-L275 HydrophobicContact CZ-CD2 4.03Å |
| 165 | E | 93 | Very high | 89.3 | Confident | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 87.3 | 179.5 | -53.7 | -176.7 | -115 | 0 | 0 | 109.8 | R126 D163 D167 I168 R169 R170 R1357 | R126-E165 HydrophobicContact CG-CG 4.06Å; D163-E165 HydrophobicContact CB-CG 4.17Å; E165-D167 VanDerWaalsContact C-N 3.33Å; E165-D167 PolarHBondContact O-N 3.37Å; E165-I168 HydrophobicContact CB-CD1 3.79Å; E165-I168 HydrophobicContact CB-CG1 3.42Å; E165-I168 VanDerWaalsContact CB-CG1 3.42Å; E165-I168 VanDerWaalsContact CD-CD1 3.45Å; E165-I168 HydrophobicContact CG-CD1 4.25Å; E165-I168 HydrophobicContact CG-CG1 4.39Å; E165-I168 WeakPolarHBondContact OE2-CD1 3.38Å; E165-R169 WeakPolarHBondContact O-CA 3.43Å; E165-R169 PolarHBondContact O-N 3.24Å; E165-R170 CarbonylContact C-O 3.49Å; E165-R170 WeakPolarHBondContact CA-O 3.23Å; E165-R170 PolarHBondContact N-O 2.69Å; E165-R170 PolarHBondContact O-N 3Å; E165-R1357 IonicContact OE2-CZ 3.99Å; E165-R1357 IonicContact OE2-NH1 3.66Å; E165-R1357 PolarHBondContact OE2-NH1 2.68Å; E165-R1357 IonicContact OE2-NH2 3.21Å; E165-R1357 PolarHBondContact OE2-NH2 2.85Å |
| 166 | H | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -32.6 | -174.3 | -62.2 | -58.3 | 0 | 0 | 0 | 113.9 | P125 H127 F164 R169 Y197 R278 R282 | P125-H166 WeakPolarHBondContact O-CB 3.26Å; P125-H166 PolarHBondContact O-N 3.03Å; H127-H166 AromaticContact CE1-NE2 3.72Å; H127-H166 AromaticContact CG-NE2 3.84Å; H127-H166 AromaticContact ND1-CD2 3.34Å; H127-H166 PolarHBondContact ND1-CD2 2.89Å; H127-H166 VanDerWaalsContact ND1-CD2 3.34Å; H127-H166 AromaticContact ND1-NE2 2.84Å; H127-H166 PolarHBondContact ND1-NE2 3.49Å; F164-H166 PolarHBondContact O-CD2 3.23Å; F164-H166 PolarHBondContact O-N 3.3Å; H166-R169 PolarHBondContact O-N 3.11Å; H166-Y197 PolarHBondContact CE1-OH 2.85Å; H166-Y197 VanDerWaalsContact CE1-OH 3.25Å; H166-Y197 AromaticContact ND1-CE2 3.71Å; H166-Y197 AromaticContact ND1-CZ 3.68Å; H166-Y197 PolarHBondContact ND1-OH 2.94Å; H166-R278 HydrophobicContact CB-CB 4.36Å; H166-R278 VanDerWaalsContact CD2-CB 3.43Å; H166-R278 WeakPolarHBondContact CD2-CB 3.34Å; H166-R278 VanDerWaalsContact CE1-CB 3.43Å; H166-R278 WeakPolarHBondContact CE1-CB 3.04Å; H166-R278 WeakPolarHBondContact NE2-CB 3.13Å; H166-R282 HydrophobicContact CB-CG 4.18Å; H166-R282 PolarHBondContact O-NE 3.39Å |
| 167 | D | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -53.6 | 178.6 | 54.5 | 2.6 | 0 | 0 | 0 | 111.6 | P125 E165 R169 R282 P1323 R1357 S1367 | P125-D167 HydrophobicContact CB-CB 4.1Å; P125-D167 WeakPolarHBondContact CB-OD2 3.34Å; P125-D167 PolarHBondContact O-N 3.04Å; E165-D167 VanDerWaalsContact C-N 3.33Å; E165-D167 PolarHBondContact O-N 3.37Å; D167-R169 PolarHBondContact O-N 3.41Å; D167-R282 PolarHBondContact O-NH2 2.88Å; D167-P1323 HydrophobicContact CB-CB 4.28Å; D167-P1323 HydrophobicContact CB-CG 4.14Å; D167-P1323 WeakPolarHBondContact O-CD 3.48Å; D167-R1357 IonicContact OD1-CZ 2.71Å; D167-R1357 IonicContact OD1-NE 3.61Å; D167-R1357 IonicContact OD1-NH2 3.47Å; D167-R1357 PolarHBondContact OD1-NH2 2.97Å; D167-R1357 IonicContact OD2-CZ 3.32Å; D167-R1357 IonicContact OD2-NE 3.84Å; D167-R1357 PolarHBondContact OD2-NE 2.87Å; D167-R1357 IonicContact OD2-NH2 2.61Å; D167-R1357 PolarHBondContact OD2-NH2 3.35Å; D167-S1367 VanDerWaalsContact CB-OG 3.24Å; D167-S1367 WeakPolarHBondContact CB-OG 3.47Å; D167-S1367 PolarHBondContact OD2-OG 3.12Å |
| 168 | I | 89.3 | Confident | 89.6 | Confident | 49 Ų | 49 | 34 Ų | 34 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.4 | 176.1 | 64.7 | 161.8 | 0 | 0 | 0 | 113.2 | E165 R170 P1323 L1365 | E165-I168 HydrophobicContact CB-CD1 3.79Å; E165-I168 HydrophobicContact CB-CG1 3.42Å; E165-I168 VanDerWaalsContact CB-CG1 3.42Å; E165-I168 VanDerWaalsContact CD-CD1 3.45Å; E165-I168 HydrophobicContact CG-CD1 4.25Å; E165-I168 HydrophobicContact CG-CG1 4.39Å; E165-I168 WeakPolarHBondContact OE2-CD1 3.38Å; I168-R170 HydrophobicContact CD1-CB 3.89Å; I168-R170 HydrophobicContact CG1-CB 4.01Å; I168-P1323 HydrophobicContact CG2-CG 3.63Å; I168-L1365 HydrophobicContact CG2-CD1 4.19Å |
| 169 | R | 92.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 38.2 Ų | 38.2 | 22% | 0.219 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 53.3 | 177 | -47.8 | -174.6 | -162 | -168.7 | 6.5 | 112.5 | E165 H166 D167 Y197 D1322 | E165-R169 WeakPolarHBondContact O-CA 3.43Å; E165-R169 PolarHBondContact O-N 3.24Å; H166-R169 PolarHBondContact O-N 3.11Å; D167-R169 PolarHBondContact O-N 3.41Å; R169-Y197 VanDerWaalsContact C-CG 3.46Å; R169-Y197 HydrophobicContact CB-CD2 3.79Å; R169-Y197 HydrophobicContact CB-CG 3.96Å; R169-Y197 HydrophobicContact CG-CD2 4.47Å; R169-Y197 WeakPolarHBondContact O-CB 3.27Å; R169-Y197 PolarHBondContact O-N 2.82Å; R169-D1322 IonicContact CZ-OD1 3.83Å; R169-D1322 IonicContact NE-OD1 3.69Å; R169-D1322 PolarHBondContact NE-OD1 3.49Å; R169-D1322 IonicContact NH2-OD1 3.91Å; R169-D1322 PolarHBondContact NH2-OD1 2.78Å; R169-D1322 IonicContact NH2-OD2 2.74Å |
| 170 | R | 93.8 | Very high | 87.9 | Confident | 101 Ų | 101 | 40.4 Ų | 40.4 | 38% | 0.381 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.4 | -177.1 | -173.8 | -177.6 | -71.3 | -171.4 | 0.8 | 111.3 | E165 I168 E172 S194 V195 Y197 | E165-R170 CarbonylContact C-O 3.49Å; E165-R170 WeakPolarHBondContact CA-O 3.23Å; E165-R170 PolarHBondContact N-O 2.69Å; E165-R170 PolarHBondContact O-N 3Å; I168-R170 HydrophobicContact CD1-CB 3.89Å; I168-R170 HydrophobicContact CG1-CB 4.01Å; R170-E172 WeakPolarHBondContact CD-OE1 3.41Å; R170-E172 HydrophobicContact CG-CG 3.97Å; R170-E172 IonicContact CZ-OE1 3.69Å; R170-E172 IonicContact NE-OE1 3.97Å; R170-E172 IonicContact NH1-OE1 3.65Å; R170-E172 PolarHBondContact NH1-OE1 2.82Å; R170-S194 WeakPolarHBondContact CD-OG 3.49Å; R170-V195 CarbonylContact C-O 3.6Å; R170-V195 WeakPolarHBondContact CA-O 3.41Å; R170-Y197 VanDerWaalsContact C-CE1 3.46Å; R170-Y197 WeakPolarHBondContact O-CE1 3.07Å |
| 171 | M | 95.2 | Very high | 86.9 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.1 | 164.4 | -176.5 | -170.6 | 73 | 0 | 0 | 109.3 | D163 F164 I173 S194 V195 Y197 L216 I257 L259 | D163-M171 CarbonylContact O-C 3.24Å; D163-M171 VanDerWaalsContact O-CA 3.24Å; D163-M171 WeakPolarHBondContact O-CA 3.48Å; F164-M171 HydrophobicContact CD1-CB 4.26Å; F164-M171 HydrophobicContact CD1-CG 3.91Å; F164-M171 HydrophobicContact CD1-SD 4.14Å; F164-M171 HydrophobicContact CE1-CG 3.86Å; F164-M171 HydrophobicContact CE1-SD 3.48Å; F164-M171 WeakPolarHBondContact CE1-SD 3.48Å; F164-M171 HydrophobicContact CG-CG 4.41Å; F164-M171 HydrophobicContact CZ-CG 4.32Å; F164-M171 HydrophobicContact CZ-SD 3.82Å; M171-I173 HydrophobicContact CE-CD1 3.65Å; M171-I173 HydrophobicContact CE-CG1 4.29Å; M171-I173 HydrophobicContact SD-CD1 4.28Å; M171-S194 CarbonylContact O-C 3.59Å; M171-S194 WeakPolarHBondContact O-CA 3.49Å; M171-V195 HydrophobicContact CB-CB 4.38Å; M171-V195 HydrophobicContact CE-CB 3.99Å; M171-V195 HydrophobicContact CE-CG2 3.68Å; M171-V195 PolarHBondContact N-O 2.98Å; M171-V195 PolarHBondContact O-N 2.86Å; M171-Y197 HydrophobicContact CB-CE1 4.36Å; M171-L216 HydrophobicContact CE-CD1 3.54Å; M171-L216 HydrophobicContact SD-CD1 3.26Å; M171-L216 WeakPolarHBondContact SD-CD1 3.18Å; M171-I257 HydrophobicContact CE-CD1 4.46Å; M171-L259 HydrophobicContact SD-CD1 4.03Å |
| 172 | E | 94.7 | Very high | 85.4 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.9 | 175.3 | -60.6 | -160.5 | 162.3 | 0 | 0 | 110.4 | C162 D163 R170 K192 M193 | C162-E172 CarbonylContact C-O 3.54Å; C162-E172 WeakPolarHBondContact CA-O 3.41Å; D163-E172 PolarHBondContact N-O 2.64Å; D163-E172 PolarHBondContact O-N 2.87Å; R170-E172 WeakPolarHBondContact CD-OE1 3.41Å; R170-E172 HydrophobicContact CG-CG 3.97Å; R170-E172 IonicContact CZ-OE1 3.69Å; R170-E172 IonicContact NE-OE1 3.97Å; R170-E172 IonicContact NH1-OE1 3.65Å; R170-E172 PolarHBondContact NH1-OE1 2.82Å; E172-K192 HydrophobicContact CB-CD 4.38Å; E172-K192 IonicContact OE1-NZ 3.62Å; E172-K192 PolarHBondContact OE1-NZ 2.78Å; E172-K192 VanDerWaalsContact OE2-CD 3.28Å; E172-K192 WeakPolarHBondContact OE2-CD 3.37Å; E172-K192 IonicContact OE2-NZ 2.8Å; E172-K192 PolarHBondContact OE2-NZ 3.14Å; E172-M193 CarbonylContact C-O 3.57Å; E172-M193 WeakPolarHBondContact CA-O 3.47Å |
| 173 | I | 94.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.2 | 175.1 | -63.7 | 162.3 | 0 | 0 | 0 | 108.1 | I135 C162 M171 F175 K192 M193 L259 | I135-I173 HydrophobicContact CD1-CG2 3.94Å; C162-I173 HydrophobicContact CB-CG1 3.86Å; C162-I173 VanDerWaalsContact SG-CG1 3.54Å; M171-I173 HydrophobicContact CE-CD1 3.65Å; M171-I173 HydrophobicContact CE-CG1 4.29Å; M171-I173 HydrophobicContact SD-CD1 4.28Å; I173-F175 HydrophobicContact CG2-CD1 4.3Å; I173-K192 CarbonylContact O-C 3.51Å; I173-K192 VanDerWaalsContact O-CA 3.3Å; I173-K192 WeakPolarHBondContact O-CA 3.44Å; I173-M193 HydrophobicContact CB-CB 4.38Å; I173-M193 HydrophobicContact CB-CE 4.46Å; I173-M193 HydrophobicContact CD1-CE 3.43Å; I173-M193 VanDerWaalsContact CD1-CE 3.43Å; I173-M193 HydrophobicContact CG1-CE 4.49Å; I173-M193 PolarHBondContact N-O 3.35Å; I173-M193 PolarHBondContact O-N 3.38Å; I173-L259 HydrophobicContact CD1-CD1 4.4Å; I173-L259 HydrophobicContact CD1-CD2 3.79Å |
| 174 | V | 92.3 | Very high | 81.5 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.4 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | F160 F161 Y191 K192 W227 | F160-V174 HydrophobicContact CD2-CG1 4.11Å; F160-V174 PolarHBondContact N-O 2.95Å; F161-V174 HydrophobicContact CD1-CB 4.45Å; F161-V174 HydrophobicContact CE1-CB 3.97Å; F161-V174 HydrophobicContact CE1-CG1 4.41Å; F161-V174 HydrophobicContact CE1-CG2 4.13Å; F161-V174 HydrophobicContact CE2-CB 4.25Å; F161-V174 HydrophobicContact CE2-CG2 3.79Å; F161-V174 HydrophobicContact CZ-CB 3.87Å; F161-V174 HydrophobicContact CZ-CG2 3.51Å; F161-V174 PolarHBondContact O-N 3.23Å; V174-Y191 WeakPolarHBondContact CA-O 3.45Å; V174-K192 HydrophobicContact CG2-CB 4.15Å; V174-K192 HydrophobicContact CG2-CD 4.02Å; V174-K192 HydrophobicContact CG2-CG 3.99Å; V174-W227 HydrophobicContact CG1-CH2 3.83Å; V174-W227 HydrophobicContact CG1-CZ2 4.15Å; V174-W227 HydrophobicContact CG2-CH2 4.36Å |
| 175 | F | 91.4 | Very high | 79.7 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 162.6 | 179.5 | 60.9 | -89.2 | 0 | 0 | 0 | 112.1 | F152 Y157 D158 V159 I173 R190 Y191 L243 F245 | F152-F175 HydrophobicContact CE2-CB 3.93Å; F152-F175 HydrophobicContact CE2-CD1 4.23Å; F152-F175 AromaticContact CE2-CD2 3.58Å; F152-F175 HydrophobicContact CE2-CD2 3.58Å; F152-F175 HydrophobicContact CE2-CE2 4.04Å; F152-F175 AromaticContact CE2-CG 3.66Å; F152-F175 HydrophobicContact CE2-CG 3.66Å; F152-F175 HydrophobicContact CZ-CB 3.95Å; F152-F175 HydrophobicContact CZ-CD2 4.26Å; F152-F175 HydrophobicContact CZ-CG 4.2Å; Y157-F175 HydrophobicContact CD1-CD2 4.24Å; Y157-F175 HydrophobicContact CD1-CE2 4.49Å; D158-F175 CarbonylContact O-C 3.58Å; D158-F175 WeakPolarHBondContact O-CA 3.28Å; D158-F175 VanDerWaalsContact O-CB 3.3Å; D158-F175 WeakPolarHBondContact O-CB 3.27Å; V159-F175 HydrophobicContact CG2-CB 4.32Å; I173-F175 HydrophobicContact CG2-CD1 4.3Å; F175-R190 WeakPolarHBondContact O-CA 3.42Å; F175-Y191 AromaticContact CD2-CD2 4Å; F175-Y191 HydrophobicContact CD2-CD2 4Å; F175-Y191 HydrophobicContact CD2-CG 4.35Å; F175-Y191 AromaticContact CE2-CD2 3.73Å; F175-Y191 HydrophobicContact CE2-CD2 3.73Å; F175-Y191 AromaticContact CE2-CG 3.8Å; F175-Y191 HydrophobicContact CE2-CG 3.8Å; F175-Y191 HydrophobicContact CZ-CG 4.17Å; F175-Y191 PolarHBondContact N-O 2.92Å; F175-Y191 PolarHBondContact O-N 3.14Å; F175-L243 HydrophobicContact CZ-CD2 3.88Å; F175-F245 AromaticContact CE2-CE1 3.87Å; F175-F245 HydrophobicContact CE2-CE1 3.87Å; F175-F245 HydrophobicContact CZ-CE1 4.03Å; F175-F245 HydrophobicContact CZ-CZ 4.34Å |
| 176 | A | 88.7 | Confident | 78.5 | Confident | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 159.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y157 D158 F160 T188 T189 R190 | Y157-A176 CarbonylContact C-O 3.54Å; Y157-A176 WeakPolarHBondContact CA-O 3.41Å; Y157-A176 WeakPolarHBondContact CB-O 3.42Å; D158-A176 PolarHBondContact N-O 3.46Å; D158-A176 PolarHBondContact O-N 3.5Å; F160-A176 HydrophobicContact CE2-CB 3.51Å; F160-A176 HydrophobicContact CZ-CB 4.08Å; A176-T188 HydrophobicContact CB-CG2 3.72Å; A176-T189 WeakPolarHBondContact CA-O 3.39Å; A176-T189 VanDerWaalsContact CB-O 3.27Å; A176-T189 WeakPolarHBondContact CB-O 3.39Å; A176-R190 HydrophobicContact CB-CG 4.14Å |
| 177 | E | 84.5 | Confident | 77.4 | Confident | 103 Ų | 103 | 78.9 Ų | 78.9 | 48% | 0.481 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 138.8 | 170.5 | -165.2 | 175.5 | -174.8 | 0 | 0 | 111.3 | Y157 | Y157-E177 HydrophobicContact CD1-CB 4Å; Y157-E177 HydrophobicContact CD1-CG 4.33Å; Y157-E177 HydrophobicContact CE1-CB 3.87Å; Y157-E177 HydrophobicContact CE1-CG 3.95Å |
| 178 | K | 79.8 | Confident | 77 | Confident | 81 Ų | 81 | 80.2 Ų | 80.2 | 35% | 0.352 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 131.6 | 176.6 | -77.7 | 178.6 | 168.1 | -175.1 | 0 | 110 | R154 K155 A156 Y157 D158 S180 | R154-K178 WeakPolarHBondContact O-CE 3.43Å; R154-K178 PolarHBondContact O-NZ 3.01Å; K155-K178 VanDerWaalsContact O-CD 3.26Å; K155-K178 WeakPolarHBondContact O-CD 3.48Å; A156-K178 WeakPolarHBondContact O-CB 3.29Å; A156-K178 PolarHBondContact O-N 3.04Å; Y157-K178 WeakPolarHBondContact O-CE 3.42Å; D158-K178 WeakPolarHBondContact OD1-CE 3.34Å; D158-K178 IonicContact OD1-NZ 3.89Å; D158-K178 PolarHBondContact OD1-NZ 3.08Å; D158-K178 WeakPolarHBondContact OD2-CE 3.37Å; D158-K178 WeakPolarHBondContact OD2-CG 3.47Å; K178-S180 PolarHBondContact O-N 2.88Å |
| 179 | R | 69.2 | Low | 77 | Confident | 170 Ų | 170 | 79.7 Ų | 79.7 | 64% | 0.642 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 125.2 | 178.2 | -68.6 | -176.2 | 177.6 | -173.7 | -2.8 | 111.1 | K186 T188 | R179-K186 PolarHBondContact NH2-O 3.35Å; R179-T188 PolarHBondContact NE-OG1 3.07Å; R179-T188 PolarHBondContact NH2-OG1 2.76Å |
| 180 | S | 59.8 | Low | 76.9 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 132.4 | 156.5 | -179.7 | 0 | 0 | 0 | 0 | 109 | K178 S182 T183 | K178-S180 PolarHBondContact O-N 2.88Å; S180-S182 PolarHBondContact O-N 2.91Å; S180-S182 PolarHBondContact OG-OG 2.88Å; S180-T183 PolarHBondContact O-N 3.04Å; S180-T183 PolarHBondContact O-OG1 3.19Å |
| 181 | K | 58.1 | Low | 76.9 | Confident | 221 Ų | 221 | 76.4 Ų | 76.4 | 96% | 0.961 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -10.7 | 179.8 | -71.4 | -178.3 | 178.2 | 178.1 | 0 | 114.1 | ||
| 182 | S | 56 | Low | 76.8 | Confident | 97 Ų | 97 | 77.9 Ų | 77.9 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -1.8 | -173.6 | 64.7 | 0 | 0 | 0 | 0 | 116.1 | S180 | S180-S182 PolarHBondContact O-N 2.91Å; S180-S182 PolarHBondContact OG-OG 2.88Å |
| 183 | T | 48.9 | Very low | 76.8 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | trans | -98.4 | 125.6 | -175.6 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | S180 D185 | S180-T183 PolarHBondContact O-N 3.04Å; S180-T183 PolarHBondContact O-OG1 3.19Å; T183-D185 PolarHBondContact O-N 2.9Å | ||
| 184 | H | 54.4 | Low | 76.8 | Confident | 195 Ų | 195 | 77.5 Ų | 77.5 | 90% | 0.903 | 37% | 0.374 | S | S | * | . | trans | -72.4 | 2.2 | 173 | -80.6 | -61.8 | 0 | 0 | 0 | 113.6 | K186 | H184-K186 PolarHBondContact O-N 3.2Š| ||
| 185 | D | 56.2 | Low | 76.9 | Confident | 119 Ų | 119 | 77.3 Ų | 77.3 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | trans | -78.1 | 118 | -174.8 | -137.7 | -13 | 0 | 0 | 0 | 110.5 | T183 Y187 | T183-D185 PolarHBondContact O-N 2.9Å; D185-Y187 VanDerWaalsContact C-N 3.31Å; D185-Y187 PolarHBondContact O-N 3.31Å | ||
| 186 | K | 66.9 | Low | 77 | Confident | 140 Ų | 140 | 79.4 Ų | 79.4 | 61% | 0.609 | 39% | 0.388 | S | S | * | . | trans | -75.7 | -18.8 | -169.9 | -81.1 | -178.7 | 179.5 | 176.7 | 0 | 113.3 | R179 H184 F230 | R179-K186 PolarHBondContact NH2-O 3.35Å; H184-K186 PolarHBondContact O-N 3.2Å; K186-F230 HydrophobicContact CB-CD2 3.79Å; K186-F230 HydrophobicContact CB-CE2 3.57Å; K186-F230 HydrophobicContact CB-CZ 4.35Å; K186-F230 HydrophobicContact CD-CE2 3.95Å; K186-F230 HydrophobicContact CD-CZ 4Å; K186-F230 HydrophobicContact CG-CE2 4.07Å; K186-F230 VanDerWaalsContact O-CD2 3.22Å; K186-F230 WeakPolarHBondContact O-CD2 3.48Å | ||
| 187 | Y | 70.9 | Confident | 77.2 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 141.7 | -172 | -63.3 | -91.7 | 0 | 0 | 0 | 112.3 | D185 K228 F230 | D185-Y187 VanDerWaalsContact C-N 3.31Å; D185-Y187 PolarHBondContact O-N 3.31Å; Y187-K228 HydrophobicContact CD1-CB 4.24Å; Y187-F230 HydrophobicContact CD1-CB 3.3Å; Y187-F230 HydrophobicContact CD1-CG 4.19Å; Y187-F230 HydrophobicContact CE1-CB 3.32Å; Y187-F230 HydrophobicContact CE1-CD1 4.3Å; Y187-F230 AromaticContact CE1-CG 3.95Å; Y187-F230 HydrophobicContact CE1-CG 3.95Å; Y187-F230 HydrophobicContact CG-CB 4.12Å |
| 188 | T | 81.4 | Confident | 77.3 | Confident | 28 Ų | 28 | 81.4 Ų | 81.4 | 17% | 0.172 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.6 | 167.9 | -62 | 0 | 0 | 0 | 0 | 109.3 | A176 R179 H229 | A176-T188 HydrophobicContact CB-CG2 3.72Å; R179-T188 PolarHBondContact NE-OG1 3.07Å; R179-T188 PolarHBondContact NH2-OG1 2.76Å; T188-H229 PolarHBondContact N-O 2.86Å; T188-H229 PolarHBondContact O-N 3.43Å |
| 189 | T | 87.5 | Confident | 77.8 | Confident | 38 Ų | 38 | 77.7 Ų | 77.7 | 23% | 0.233 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126.1 | 173.6 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | A176 Y191 | A176-T189 WeakPolarHBondContact CA-O 3.39Å; A176-T189 VanDerWaalsContact CB-O 3.27Å; A176-T189 WeakPolarHBondContact CB-O 3.39Å; T189-Y191 HydrophobicContact CG2-CE1 4.31Å; T189-Y191 HydrophobicContact CG2-CE2 4.01Å |
| 190 | R | 91.3 | Very high | 79 | Confident | 60 Ų | 60 | 69.8 Ų | 69.8 | 23% | 0.226 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 147.5 | 175.3 | -68.5 | -173.4 | 175.8 | 167.2 | 4.3 | 110.1 | F160 F175 A176 K226 W227 H229 | F160-R190 HydrophobicContact CE2-CG 4.26Å; F175-R190 WeakPolarHBondContact O-CA 3.42Å; A176-R190 HydrophobicContact CB-CG 4.14Å; R190-K226 CarbonylContact O-C 3.58Å; R190-K226 VanDerWaalsContact O-CA 3.25Å; R190-K226 WeakPolarHBondContact O-CA 3.27Å; R190-W227 HydrophobicContact CB-CD2 3.94Å; R190-W227 HydrophobicContact CB-CE3 4.32Å; R190-W227 HydrophobicContact CB-CH2 3.95Å; R190-W227 HydrophobicContact CB-CZ2 3.56Å; R190-W227 HydrophobicContact CB-CZ3 4.3Å; R190-W227 HydrophobicContact CG-CZ2 4.26Å; R190-W227 PolarHBondContact N-O 3.15Å; R190-W227 PolarHBondContact O-N 3.32Å; R190-H229 PolarHBondContact NH2-CD2 3.11Å |
| 191 | Y | 92.8 | Very high | 80.4 | Confident | 29 Ų | 29 | 68 Ų | 68 | 11% | 0.114 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145 | 176.2 | -58.7 | -84.9 | 0 | 0 | 0 | 109.5 | V174 F175 T189 W225 K226 I240 P244 | V174-Y191 WeakPolarHBondContact CA-O 3.45Å; F175-Y191 AromaticContact CD2-CD2 4Å; F175-Y191 HydrophobicContact CD2-CD2 4Å; F175-Y191 HydrophobicContact CD2-CG 4.35Å; F175-Y191 AromaticContact CE2-CD2 3.73Å; F175-Y191 HydrophobicContact CE2-CD2 3.73Å; F175-Y191 AromaticContact CE2-CG 3.8Å; F175-Y191 HydrophobicContact CE2-CG 3.8Å; F175-Y191 HydrophobicContact CZ-CG 4.17Å; F175-Y191 PolarHBondContact N-O 2.92Å; F175-Y191 PolarHBondContact O-N 3.14Å; T189-Y191 HydrophobicContact CG2-CE1 4.31Å; T189-Y191 HydrophobicContact CG2-CE2 4.01Å; Y191-W225 CarbonylContact C-O 3.6Å; Y191-W225 VanDerWaalsContact CA-O 3.29Å; Y191-W225 WeakPolarHBondContact CA-O 3.45Å; Y191-K226 HydrophobicContact CD1-CB 4.05Å; Y191-K226 HydrophobicContact CE1-CB 4.09Å; Y191-I240 HydrophobicContact CD1-CD1 3.8Å; Y191-I240 HydrophobicContact CE1-CD1 4.12Å; Y191-P244 HydrophobicContact CD1-CG 4.28Å; Y191-P244 HydrophobicContact CD2-CG 4.37Å; Y191-P244 HydrophobicContact CE1-CG 3.6Å; Y191-P244 HydrophobicContact CE2-CG 3.71Å; Y191-P244 WeakPolarHBondContact OH-CG 3.28Å |
| 192 | K | 93.4 | Very high | 81.9 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 15% | 0.148 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.3 | 173.4 | 178 | 167.5 | 80.7 | 160.6 | 0 | 111.3 | E172 I173 V174 L224 W225 W227 | E172-K192 HydrophobicContact CB-CD 4.38Å; E172-K192 IonicContact OE1-NZ 3.62Å; E172-K192 PolarHBondContact OE1-NZ 2.78Å; E172-K192 VanDerWaalsContact OE2-CD 3.28Å; E172-K192 WeakPolarHBondContact OE2-CD 3.37Å; E172-K192 IonicContact OE2-NZ 2.8Å; E172-K192 PolarHBondContact OE2-NZ 3.14Å; I173-K192 CarbonylContact O-C 3.51Å; I173-K192 VanDerWaalsContact O-CA 3.3Å; I173-K192 WeakPolarHBondContact O-CA 3.44Å; V174-K192 HydrophobicContact CG2-CB 4.15Å; V174-K192 HydrophobicContact CG2-CD 4.02Å; V174-K192 HydrophobicContact CG2-CG 3.99Å; K192-L224 CarbonylContact O-C 3.58Å; K192-L224 WeakPolarHBondContact O-CA 3.43Å; K192-W225 HydrophobicContact CB-CB 4.32Å; K192-W225 PolarHBondContact N-O 3.44Å; K192-W225 PolarHBondContact O-N 2.84Å; K192-W227 HydrophobicContact CB-CH2 3.83Å; K192-W227 HydrophobicContact CB-CZ3 3.51Å |
| 193 | M | 94.3 | Very high | 83.6 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.6 | 171 | -175.4 | 167.4 | 68.5 | 0 | 0 | 109.5 | E172 I173 P222 L224 F251 I257 | E172-M193 CarbonylContact C-O 3.57Å; E172-M193 WeakPolarHBondContact CA-O 3.47Å; I173-M193 HydrophobicContact CB-CB 4.38Å; I173-M193 HydrophobicContact CB-CE 4.46Å; I173-M193 HydrophobicContact CD1-CE 3.43Å; I173-M193 VanDerWaalsContact CD1-CE 3.43Å; I173-M193 HydrophobicContact CG1-CE 4.49Å; I173-M193 PolarHBondContact N-O 3.35Å; I173-M193 PolarHBondContact O-N 3.38Å; M193-P222 HydrophobicContact CG-CB 3.44Å; M193-P222 VanDerWaalsContact CG-CB 3.44Å; M193-P222 HydrophobicContact CG-CG 3.98Å; M193-P222 HydrophobicContact SD-CB 4.01Å; M193-P222 HydrophobicContact SD-CG 3.88Å; M193-L224 HydrophobicContact CB-CD2 3.9Å; M193-L224 HydrophobicContact CG-CD2 3.86Å; M193-L224 HydrophobicContact SD-CD2 4.4Å; M193-F251 HydrophobicContact SD-CE2 4.3Å; M193-I257 HydrophobicContact CE-CD1 4.05Å; M193-I257 HydrophobicContact CE-CG2 3.94Å; M193-I257 HydrophobicContact SD-CD1 4.26Å |
| 194 | S | 94.4 | Very high | 85.7 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.6 | -175.3 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | R170 M171 L223 | R170-S194 WeakPolarHBondContact CD-OG 3.49Å; M171-S194 CarbonylContact O-C 3.59Å; M171-S194 WeakPolarHBondContact O-CA 3.49Å; S194-L223 PolarHBondContact N-O 3.09Å; S194-L223 PolarHBondContact O-N 3.23Å |
| 195 | V | 95 | Very high | 87.4 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.4 | 179.7 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | R170 M171 A199 L200 V218 P222 I257 | R170-V195 CarbonylContact C-O 3.6Å; R170-V195 WeakPolarHBondContact CA-O 3.41Å; M171-V195 HydrophobicContact CB-CB 4.38Å; M171-V195 HydrophobicContact CE-CB 3.99Å; M171-V195 HydrophobicContact CE-CG2 3.68Å; M171-V195 PolarHBondContact N-O 2.98Å; M171-V195 PolarHBondContact O-N 2.86Å; V195-A199 HydrophobicContact CG1-CB 4.15Å; V195-L200 HydrophobicContact CG1-CD2 4.08Å; V195-V218 HydrophobicContact CG1-CG1 4.06Å; V195-P222 HydrophobicContact CG2-CB 3.75Å; V195-P222 HydrophobicContact CG2-CG 3.77Å; V195-I257 HydrophobicContact CG2-CD1 3.73Å |
| 196 | S | 93.1 | Very high | 88.9 | Confident | 47 Ų | 47 | 35 Ų | 35 | 33% | 0.329 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 142.3 | 168.5 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | K198 A199 | S196-K198 PolarHBondContact O-N 3.32Å; S196-K198 PolarHBondContact OG-N 2.9Å; S196-A199 WeakPolarHBondContact O-CA 3.41Å; S196-A199 WeakPolarHBondContact O-CB 3.19Å; S196-A199 PolarHBondContact O-N 3.43Å |
| 197 | Y | 93 | Very high | 89.6 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -63.1 | -25.4 | 174.2 | -70.9 | 4.6 | 0 | 0 | 0 | 112.1 | H166 R169 R170 M171 A199 L200 L279 R282 A283 | H166-Y197 PolarHBondContact CE1-OH 2.85Å; H166-Y197 VanDerWaalsContact CE1-OH 3.25Å; H166-Y197 AromaticContact ND1-CE2 3.71Å; H166-Y197 AromaticContact ND1-CZ 3.68Å; H166-Y197 PolarHBondContact ND1-OH 2.94Å; R169-Y197 VanDerWaalsContact C-CG 3.46Å; R169-Y197 HydrophobicContact CB-CD2 3.79Å; R169-Y197 HydrophobicContact CB-CG 3.96Å; R169-Y197 HydrophobicContact CG-CD2 4.47Å; R169-Y197 WeakPolarHBondContact O-CB 3.27Å; R169-Y197 PolarHBondContact O-N 2.82Å; R170-Y197 VanDerWaalsContact C-CE1 3.46Å; R170-Y197 WeakPolarHBondContact O-CE1 3.07Å; M171-Y197 HydrophobicContact CB-CE1 4.36Å; Y197-A199 PolarHBondContact O-N 3.16Å; Y197-L200 HydrophobicContact CD1-CD1 4.13Å; Y197-L200 HydrophobicContact CG-CD1 4.39Å; Y197-L200 WeakPolarHBondContact O-CB 3.18Å; Y197-L200 PolarHBondContact O-N 3.3Å; Y197-L279 HydrophobicContact CD1-CD1 4.23Å; Y197-L279 HydrophobicContact CD2-CD1 4.29Å; Y197-L279 HydrophobicContact CE1-CD1 3.79Å; Y197-L279 HydrophobicContact CE2-CD1 3.85Å; Y197-L279 HydrophobicContact CG-CD1 4.46Å; Y197-R282 HydrophobicContact CD2-CB 3.97Å; Y197-R282 HydrophobicContact CE2-CB 3.93Å; Y197-A283 HydrophobicContact CD2-CB 3.94Å; Y197-A283 HydrophobicContact CG-CB 4.05Å |
| 198 | K | 86.6 | Confident | 89.8 | Confident | 145 Ų | 145 | 25.9 Ų | 25.9 | 63% | 0.63 | 13% | 0.127 | S | C | * | . | G | 310 helix | trans | -64.4 | -19 | 171.1 | -66.2 | -174.3 | 177.7 | -178.3 | 0 | 112.7 | S196 L200 | S196-K198 PolarHBondContact O-N 3.32Å; S196-K198 PolarHBondContact OG-N 2.9Å; K198-L200 VanDerWaalsContact C-N 3.35Å |
| 199 | A | 91.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -82.9 | -11 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V195 S196 Y197 V218 K219 Y220 | V195-A199 HydrophobicContact CG1-CB 4.15Å; S196-A199 WeakPolarHBondContact O-CA 3.41Å; S196-A199 WeakPolarHBondContact O-CB 3.19Å; S196-A199 PolarHBondContact O-N 3.43Å; Y197-A199 PolarHBondContact O-N 3.16Å; A199-V218 CarbonylContact O-C 3.55Å; A199-V218 VanDerWaalsContact O-CA 3.29Å; A199-V218 WeakPolarHBondContact O-CA 3.28Å; A199-K219 WeakPolarHBondContact O-CG 3.2Å; A199-K219 PolarHBondContact O-N 3.22Å; A199-Y220 VanDerWaalsContact CA-CZ 3.48Å; A199-Y220 WeakPolarHBondContact CA-OH 3.48Å; A199-Y220 HydrophobicContact CB-CD2 3.86Å; A199-Y220 HydrophobicContact CB-CE1 4.13Å; A199-Y220 HydrophobicContact CB-CE2 3.19Å; A199-Y220 WeakPolarHBondContact CB-OH 3.43Å; A199-Y220 PolarHBondContact N-OH 3.49Å |
| 200 | L | 92.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 136.9 | 177.5 | -60.7 | 174.7 | 0 | 0 | 0 | 109.9 | V195 Y197 K198 L216 V218 K219 L279 A283 V285 | V195-L200 HydrophobicContact CG1-CD2 4.08Å; Y197-L200 HydrophobicContact CD1-CD1 4.13Å; Y197-L200 HydrophobicContact CG-CD1 4.39Å; Y197-L200 WeakPolarHBondContact O-CB 3.18Å; Y197-L200 PolarHBondContact O-N 3.3Å; K198-L200 VanDerWaalsContact C-N 3.35Å; L200-L216 HydrophobicContact CD2-CB 4Å; L200-L216 HydrophobicContact CD2-CD2 4.28Å; L200-V218 HydrophobicContact CD2-CG1 4.25Å; L200-K219 WeakPolarHBondContact O-CE 3.44Å; L200-K219 PolarHBondContact O-NZ 3.17Å; L200-K219 VanDerWaalsContact O-NZ 3.13Å; L200-L279 HydrophobicContact CD1-CD1 3.84Å; L200-A283 HydrophobicContact CD1-CB 3.95Å; L200-V285 HydrophobicContact CB-CG1 4Å; L200-V285 HydrophobicContact CB-CG2 4.41Å; L200-V285 WeakPolarHBondContact O-CG1 3.45Å |
| 201 | N | 88.9 | Confident | 88.3 | Confident | 38 Ų | 38 | 32.7 Ų | 32.7 | 20% | 0.203 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -55.4 | 170.8 | -164.3 | 30.8 | 0 | 0 | 0 | 110.5 | T217 K219 | N201-T217 HydrophobicContact CB-CG2 4.14Å; N201-T217 PolarHBondContact N-O 2.84Å; N201-K219 HydrophobicContact CB-CG 4Å |
| 202 | Y | 90.4 | Very high | 88.1 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 169.4 | 172.5 | 60.5 | -99.2 | 0 | 0 | 0 | 109 | F140 T217 P286 Y288 E367 | F140-Y202 HydrophobicContact CD2-CE2 4.38Å; F140-Y202 HydrophobicContact CE2-CE2 4.46Å; Y202-T217 HydrophobicContact CD1-CG2 4.29Å; Y202-T217 HydrophobicContact CE1-CG2 3.76Å; Y202-T217 HydrophobicContact CE2-CG2 4.31Å; Y202-T217 WeakPolarHBondContact CE2-OG1 3.09Å; Y202-T217 VanDerWaalsContact CZ-OG1 3.25Å; Y202-T217 PolarHBondContact O-N 2.85Å; Y202-T217 VanDerWaalsContact O-N 3.11Å; Y202-P286 WeakPolarHBondContact CA-O 3.43Å; Y202-P286 WeakPolarHBondContact CB-O 3.29Å; Y202-Y288 HydrophobicContact CD1-CE2 4.24Å; Y202-Y288 AromaticContact CD2-CD2 3.65Å; Y202-Y288 HydrophobicContact CD2-CD2 3.65Å; Y202-Y288 AromaticContact CD2-CE2 3.73Å; Y202-Y288 HydrophobicContact CD2-CE2 3.73Å; Y202-Y288 HydrophobicContact CE2-CD2 4.22Å; Y202-Y288 HydrophobicContact CE2-CE2 4.36Å; Y202-Y288 HydrophobicContact CG-CD2 4.07Å; Y202-Y288 AromaticContact CG-CE2 3.67Å; Y202-Y288 HydrophobicContact CG-CE2 3.67Å; Y202-E367 WeakPolarHBondContact CE1-OE1 3.4Å; Y202-E367 PolarHBondContact OH-OE1 3.28Å |
| 203 | V | 92.8 | Very high | 88 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.7 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | V205 I214 Y215 L216 L279 V285 P286 V287 Y288 | V203-V205 HydrophobicContact CG1-CG2 4.23Å; V203-I214 HydrophobicContact CG1-CG2 3.8Å; V203-Y215 WeakPolarHBondContact CA-O 3.2Å; V203-L216 HydrophobicContact CG1-CD2 4.06Å; V203-L216 HydrophobicContact CG2-CD2 3.85Å; V203-L279 HydrophobicContact CG1-CD2 4.29Å; V203-L279 HydrophobicContact CG2-CD2 3.87Å; V203-L279 HydrophobicContact CG2-CG 4.43Å; V203-V285 HydrophobicContact CG2-CG2 4.02Å; V203-P286 PolarHBondContact N-O 2.9Å; V203-V287 HydrophobicContact CB-CG1 4.44Å; V203-V287 HydrophobicContact CB-CG2 4.31Å; V203-V287 CarbonylContact O-C 3.51Å; V203-V287 VanDerWaalsContact O-CA 3.31Å; V203-V287 WeakPolarHBondContact O-CA 3.49Å; V203-Y288 PolarHBondContact O-N 3.39Å |
| 204 | T | 91.9 | Very high | 88 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.4 | 171.5 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | F110 F140 Y215 Y288 V292 | F110-T204 HydrophobicContact CD1-CG2 3.91Å; F110-T204 HydrophobicContact CE1-CG2 3.42Å; F110-T204 VanDerWaalsContact CE1-CG2 3.42Å; F110-T204 HydrophobicContact CZ-CG2 4.42Å; F140-T204 HydrophobicContact CZ-CG2 4.48Å; T204-Y215 HydrophobicContact CG2-CD2 4.47Å; T204-Y215 PolarHBondContact N-O 2.81Å; T204-Y215 PolarHBondContact O-N 3.12Å; T204-Y288 CarbonylContact C-O 3.52Å; T204-Y288 VanDerWaalsContact CA-O 3.29Å; T204-Y288 WeakPolarHBondContact CA-O 3.31Å; T204-V292 HydrophobicContact CG2-CG2 3.85Å |
| 205 | V | 90.4 | Very high | 88 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.4 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | V203 D213 I276 V287 Y288 F289 G290 | V203-V205 HydrophobicContact CG1-CG2 4.23Å; V205-D213 WeakPolarHBondContact CA-O 3.42Å; V205-I276 HydrophobicContact CG1-CD1 4.12Å; V205-I276 HydrophobicContact CG2-CD1 4.13Å; V205-I276 HydrophobicContact CG2-CG1 4.43Å; V205-V287 HydrophobicContact CG2-CG1 4.12Å; V205-Y288 PolarHBondContact N-O 2.91Å; V205-F289 HydrophobicContact CB-CD1 3.75Å; V205-F289 HydrophobicContact CB-CE1 3.85Å; V205-F289 HydrophobicContact CG1-CD1 4.16Å; V205-F289 HydrophobicContact CG1-CE1 4.13Å; V205-F289 HydrophobicContact CG2-CD1 4.41Å; V205-F289 HydrophobicContact CG2-CE1 4.08Å; V205-G290 PolarHBondContact O-N 3.44Å |
| 206 | D | 87.7 | Confident | 88 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.8 | 167.6 | -174.4 | -12 | 0 | 0 | 0 | 108.3 | A212 D213 Y215 R291 V292 | D206-A212 CarbonylContact O-C 3.57Å; D206-A212 WeakPolarHBondContact O-CA 3.25Å; D206-D213 HydrophobicContact CB-CB 4.29Å; D206-D213 PolarHBondContact N-O 3.46Å; D206-D213 PolarHBondContact O-N 3.34Å; D206-Y215 HydrophobicContact CB-CE2 4.18Å; D206-R291 IonicContact OD1-CZ 3.62Å; D206-R291 IonicContact OD1-NH1 3.97Å; D206-R291 PolarHBondContact OD1-NH1 3.34Å; D206-R291 VanDerWaalsContact OD2-CD 3.3Å; D206-R291 WeakPolarHBondContact OD2-CD 3.47Å; D206-R291 IonicContact OD2-CZ 3.36Å; D206-R291 IonicContact OD2-NE 2.83Å; D206-R291 IonicContact OD2-NH1 3.34Å; D206-R291 PolarHBondContact OD2-NH1 2.81Å; D206-V292 HydrophobicContact CB-CB 4.4Å; D206-V292 HydrophobicContact CB-CG2 4.29Å; D206-V292 PolarHBondContact OD2-N 3.09Å |
| 207 | Y | 82.4 | Confident | 88.1 | Confident | 37 Ų | 37 | 27.8 Ų | 27.8 | 15% | 0.145 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.6 | -174.4 | 176.5 | -121.3 | 0 | 0 | 0 | 109.7 | T93 A212 T263 D269 L272 | T93-Y207 WeakPolarHBondContact CB-O 3.5Å; T93-Y207 WeakPolarHBondContact CG2-O 3.34Å; Y207-A212 HydrophobicContact CD2-CB 4Å; Y207-T263 HydrophobicContact CE2-CG2 4.09Å; Y207-D269 PolarHBondContact OH-OD1 3.45Å; Y207-D269 PolarHBondContact OH-OD2 2.97Å; Y207-L272 HydrophobicContact CD2-CD2 4.22Å; Y207-L272 HydrophobicContact CE2-CD2 4.33Å |
| 208 | D | 73.5 | Confident | 88.1 | Confident | 35 Ų | 35 | 28 Ų | 28 | 19% | 0.187 | 13% | 0.129 | C | C | . | . | trans | -125.2 | 18.8 | -175.9 | 79.5 | 0.6 | 0 | 0 | 0 | 115.5 | K97 H210 W211 | K97-D208 PolarHBondContact NZ-O 3.5Å; D208-H210 PolarHBondContact O-N 3.28Å; D208-H210 PolarHBondContact OD1-N 3.06Å; D208-W211 PolarHBondContact N-O 3.48Å; D208-W211 PolarHBondContact OD1-N 2.99Å | ||
| 209 | Q | 69.3 | Low | 88.2 | Confident | 84 Ų | 84 | 24.9 Ų | 24.9 | 39% | 0.393 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 73.4 | -14.6 | -173 | -56 | 172.2 | -22.5 | 0 | 0 | 115.7 | S90 | S90-Q209 PolarHBondContact OG-NE2 3.47Š|
| 210 | H | 76.4 | Confident | 88.1 | Confident | 105 Ų | 105 | 26.6 Ų | 26.6 | 49% | 0.486 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -115.9 | -31.5 | 178.8 | -64 | 71.9 | 0 | 0 | 0 | 111.8 | D208 T263 | D208-H210 PolarHBondContact O-N 3.28Å; D208-H210 PolarHBondContact OD1-N 3.06Å; H210-T263 CarbonylContact C-O 3.6Å; H210-T263 WeakPolarHBondContact CA-O 3.5Å; H210-T263 PolarHBondContact O-N 3.24Å; H210-T263 PolarHBondContact O-OG1 3.37Å; H210-T263 VanDerWaalsContact O-OG1 3.14Å |
| 211 | W | 84.5 | Confident | 88.1 | Confident | 81 Ų | 81 | 26.7 Ų | 26.7 | 31% | 0.307 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.1 | 178.7 | -59.8 | 98.1 | 0 | 0 | 0 | 110.4 | Y131 A133 D208 R260 L261 K262 T263 | Y131-W211 HydrophobicContact CE1-CH2 4.34Å; Y131-W211 HydrophobicContact CE1-CZ3 4.38Å; A133-W211 HydrophobicContact CB-CE3 3.95Å; A133-W211 HydrophobicContact CB-CH2 3.61Å; A133-W211 HydrophobicContact CB-CZ3 3.15Å; D208-W211 PolarHBondContact N-O 3.48Å; D208-W211 PolarHBondContact OD1-N 2.99Å; W211-R260 HydrophobicContact CB-CG 4.35Å; W211-R260 HydrophobicContact CD2-CG 4.13Å; W211-R260 HydrophobicContact CE3-CG 3.58Å; W211-R260 HydrophobicContact CG-CG 4.46Å; W211-R260 HydrophobicContact CZ3-CG 4.26Å; W211-L261 WeakPolarHBondContact CA-O 3.32Å; W211-K262 HydrophobicContact CE3-CB 4.05Å; W211-K262 HydrophobicContact CE3-CG 4.38Å; W211-K262 HydrophobicContact CH2-CB 4.07Å; W211-K262 HydrophobicContact CH2-CD 4.28Å; W211-K262 HydrophobicContact CH2-CG 3.93Å; W211-K262 HydrophobicContact CZ3-CB 3.48Å; W211-K262 VanDerWaalsContact CZ3-CB 3.48Å; W211-K262 HydrophobicContact CZ3-CG 3.81Å; W211-T263 PolarHBondContact N-OG1 2.92Å |
| 212 | A | 87.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 111.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | D206 Y207 L261 T263 L272 | D206-A212 CarbonylContact O-C 3.57Å; D206-A212 WeakPolarHBondContact O-CA 3.25Å; Y207-A212 HydrophobicContact CD2-CB 4Å; A212-L261 HydrophobicContact CB-CB 4.5Å; A212-L261 PolarHBondContact N-O 3.1Å; A212-L261 PolarHBondContact O-N 3.23Å; A212-T263 HydrophobicContact CB-CG2 3.99Å; A212-L272 HydrophobicContact CB-CD1 4.01Å; A212-L272 HydrophobicContact CB-CD2 3.35Å; A212-L272 HydrophobicContact CB-CG 4.35Å |
| 213 | D | 91.3 | Very high | 88.5 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 111.6 | 171.8 | -68.5 | -14.3 | 0 | 0 | 0 | 108.5 | V205 D206 Y215 L259 R260 | V205-D213 WeakPolarHBondContact CA-O 3.42Å; D206-D213 HydrophobicContact CB-CB 4.29Å; D206-D213 PolarHBondContact N-O 3.46Å; D206-D213 PolarHBondContact O-N 3.34Å; D213-Y215 HydrophobicContact CB-CD2 4.43Å; D213-Y215 HydrophobicContact CB-CE2 3.58Å; D213-L259 WeakPolarHBondContact CA-O 3.47Å; D213-R260 WeakPolarHBondContact OD1-CA 3.28Å; D213-R260 WeakPolarHBondContact OD1-CB 3.43Å; D213-R260 WeakPolarHBondContact OD1-CD 3.35Å; D213-R260 WeakPolarHBondContact OD1-CG 3.32Å; D213-R260 IonicContact OD1-CZ 2.76Å; D213-R260 IonicContact OD1-NE 3.48Å; D213-R260 PolarHBondContact OD1-NE 3.18Å; D213-R260 IonicContact OD1-NH2 3.6Å; D213-R260 IonicContact OD2-CZ 3.52Å; D213-R260 IonicContact OD2-NE 3.88Å; D213-R260 PolarHBondContact OD2-NE 2.95Å; D213-R260 IonicContact OD2-NH2 2.87Å; D213-R260 PolarHBondContact OD2-NH2 3.38Å |
| 214 | I | 94 | Very high | 88.5 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.3 | 176.5 | -56 | -174.6 | 0 | 0 | 0 | 108.5 | V203 L216 M258 L259 L261 L272 L275 | V203-I214 HydrophobicContact CG1-CG2 3.8Å; I214-L216 HydrophobicContact CG2-CD2 3.87Å; I214-L216 HydrophobicContact CG2-CG 4.18Å; I214-M258 CarbonylContact O-C 3.54Å; I214-M258 WeakPolarHBondContact O-CA 3.39Å; I214-L259 PolarHBondContact N-O 2.97Å; I214-L259 PolarHBondContact O-N 3.44Å; I214-L261 HydrophobicContact CD1-CD1 3.49Å; I214-L261 VanDerWaalsContact CD1-CD1 3.49Å; I214-L261 HydrophobicContact CD1-CG 4.44Å; I214-L261 HydrophobicContact CG1-CD1 4.18Å; I214-L272 HydrophobicContact CD1-CD1 3.87Å; I214-L275 HydrophobicContact CD1-CD2 3.78Å |
| 215 | Y | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.5 | 176.3 | -56 | -100.4 | 0 | 0 | 0 | 109.2 | F140 F146 V203 T204 D206 D213 V256 M258 V292 | F140-Y215 HydrophobicContact CE1-CD1 4.43Å; F140-Y215 HydrophobicContact CE2-CD1 4.22Å; F140-Y215 HydrophobicContact CE2-CG 4.13Å; F140-Y215 AromaticContact CZ-CD1 3.64Å; F140-Y215 HydrophobicContact CZ-CD1 3.64Å; F140-Y215 HydrophobicContact CZ-CD2 4.3Å; F140-Y215 HydrophobicContact CZ-CE1 4.32Å; F140-Y215 AromaticContact CZ-CG 3.63Å; F140-Y215 HydrophobicContact CZ-CG 3.63Å; F146-Y215 HydrophobicContact CB-CD1 4.35Å; F146-Y215 HydrophobicContact CB-CE1 3.82Å; F146-Y215 HydrophobicContact CD1-CD1 4.41Å; F146-Y215 AromaticContact CD1-CE1 3.72Å; F146-Y215 HydrophobicContact CD1-CE1 3.72Å; F146-Y215 AromaticContact CD2-CD1 3.9Å; F146-Y215 HydrophobicContact CD2-CD1 3.9Å; F146-Y215 AromaticContact CD2-CE1 3.99Å; F146-Y215 HydrophobicContact CD2-CE1 3.99Å; F146-Y215 HydrophobicContact CE1-CE1 4.25Å; F146-Y215 HydrophobicContact CE2-CD1 4.29Å; F146-Y215 HydrophobicContact CE2-CE1 4.5Å; F146-Y215 AromaticContact CG-CD1 3.96Å; F146-Y215 HydrophobicContact CG-CD1 3.96Å; F146-Y215 AromaticContact CG-CE1 3.56Å; F146-Y215 HydrophobicContact CG-CE1 3.56Å; V203-Y215 WeakPolarHBondContact CA-O 3.2Å; T204-Y215 HydrophobicContact CG2-CD2 4.47Å; T204-Y215 PolarHBondContact N-O 2.81Å; T204-Y215 PolarHBondContact O-N 3.12Å; D206-Y215 HydrophobicContact CB-CE2 4.18Å; D213-Y215 HydrophobicContact CB-CD2 4.43Å; D213-Y215 HydrophobicContact CB-CE2 3.58Å; Y215-V256 HydrophobicContact CD1-CG1 4.07Å; Y215-M258 HydrophobicContact CD1-CB 3.7Å; Y215-M258 HydrophobicContact CD1-CG 3.71Å; Y215-M258 HydrophobicContact CE1-CB 3.82Å; Y215-M258 HydrophobicContact CE1-CG 3.42Å; Y215-M258 VanDerWaalsContact CE1-CG 3.42Å; Y215-M258 HydrophobicContact CE2-CG 4.44Å; Y215-M258 HydrophobicContact CG-CB 4.47Å; Y215-M258 HydrophobicContact CG-CG 4.33Å; Y215-V292 HydrophobicContact CD2-CG2 4.13Å; Y215-V292 HydrophobicContact CE1-CG1 3.88Å; Y215-V292 HydrophobicContact CE2-CB 3.85Å; Y215-V292 HydrophobicContact CE2-CG1 4.06Å; Y215-V292 HydrophobicContact CE2-CG2 3.7Å; Y215-V292 WeakPolarHBondContact OH-CG1 3.49Å |
| 216 | L | 95.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 98.1 | 178.7 | -58.2 | 171.2 | 0 | 0 | 0 | 108.5 | M171 L200 V203 I214 V218 V256 I257 L259 L279 | M171-L216 HydrophobicContact CE-CD1 3.54Å; M171-L216 HydrophobicContact SD-CD1 3.26Å; M171-L216 WeakPolarHBondContact SD-CD1 3.18Å; L200-L216 HydrophobicContact CD2-CB 4Å; L200-L216 HydrophobicContact CD2-CD2 4.28Å; V203-L216 HydrophobicContact CG1-CD2 4.06Å; V203-L216 HydrophobicContact CG2-CD2 3.85Å; I214-L216 HydrophobicContact CG2-CD2 3.87Å; I214-L216 HydrophobicContact CG2-CG 4.18Å; L216-V218 PolarHBondContact O-N 3.45Å; L216-V256 WeakPolarHBondContact O-CA 3.39Å; L216-I257 HydrophobicContact CB-CB 4.39Å; L216-I257 PolarHBondContact N-O 2.94Å; L216-I257 PolarHBondContact O-N 3.36Å; L216-L259 HydrophobicContact CD1-CD1 4.08Å; L216-L279 HydrophobicContact CD2-CD2 4.1Å |
| 217 | T | 94.2 | Very high | 88.7 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 118.1 | 175 | -56.6 | 0 | 0 | 0 | 0 | 109 | N201 Y202 S255 V256 | N201-T217 HydrophobicContact CB-CG2 4.14Å; N201-T217 PolarHBondContact N-O 2.84Å; Y202-T217 HydrophobicContact CD1-CG2 4.29Å; Y202-T217 HydrophobicContact CE1-CG2 3.76Å; Y202-T217 HydrophobicContact CE2-CG2 4.31Å; Y202-T217 WeakPolarHBondContact CE2-OG1 3.09Å; Y202-T217 VanDerWaalsContact CZ-OG1 3.25Å; Y202-T217 PolarHBondContact O-N 2.85Å; Y202-T217 VanDerWaalsContact O-N 3.11Å; T217-S255 CarbonylContact C-O 3.56Å; T217-S255 WeakPolarHBondContact CA-O 3.4Å; T217-V256 HydrophobicContact CG2-CG2 4.3Å |
| 218 | V | 93.8 | Very high | 88.9 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 142.7 | -176.4 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | V195 A199 L200 L216 Y220 S255 I257 | V195-V218 HydrophobicContact CG1-CG1 4.06Å; A199-V218 CarbonylContact O-C 3.55Å; A199-V218 VanDerWaalsContact O-CA 3.29Å; A199-V218 WeakPolarHBondContact O-CA 3.28Å; L200-V218 HydrophobicContact CD2-CG1 4.25Å; L216-V218 PolarHBondContact O-N 3.45Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 WeakPolarHBondContact CB-O 3.32Å; V218-S255 WeakPolarHBondContact CG2-O 3.35Å; V218-S255 PolarHBondContact N-O 2.71Å; V218-I257 HydrophobicContact CG1-CD1 4.27Å |
| 219 | K | 89.2 | Confident | 89.2 | Confident | 78 Ų | 78 | 39.5 Ų | 39.5 | 34% | 0.339 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -72.5 | -30 | 174.1 | -57.3 | -172.3 | 170.1 | 150.3 | 0 | 111.9 | A199 L200 N201 L365 | A199-K219 WeakPolarHBondContact O-CG 3.2Å; A199-K219 PolarHBondContact O-N 3.22Å; L200-K219 WeakPolarHBondContact O-CE 3.44Å; L200-K219 PolarHBondContact O-NZ 3.17Å; L200-K219 VanDerWaalsContact O-NZ 3.13Å; N201-K219 HydrophobicContact CB-CG 4Å; K219-L365 HydrophobicContact CB-CD1 3.81Å; K219-L365 HydrophobicContact CB-CD2 4.48Å; K219-L365 HydrophobicContact CD-CD1 3.53Å; K219-L365 HydrophobicContact CG-CD1 3.41Å; K219-L365 VanDerWaalsContact CG-CD1 3.41Å |
| 220 | Y | 89.5 | Confident | 89.6 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 15% | 0.153 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -152.6 | 155.3 | -179.6 | 42.8 | -98.9 | 0 | 0 | 0 | 110.5 | A199 V218 D444 N445 | A199-Y220 VanDerWaalsContact CA-CZ 3.48Å; A199-Y220 WeakPolarHBondContact CA-OH 3.48Å; A199-Y220 HydrophobicContact CB-CD2 3.86Å; A199-Y220 HydrophobicContact CB-CE1 4.13Å; A199-Y220 HydrophobicContact CB-CE2 3.19Å; A199-Y220 WeakPolarHBondContact CB-OH 3.43Å; A199-Y220 PolarHBondContact N-OH 3.49Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 WeakPolarHBondContact CB-O 3.32Å; Y220-D444 WeakPolarHBondContact CB-O 3.29Å; Y220-N445 HydrophobicContact CD1-CB 4.18Å; Y220-N445 HydrophobicContact CD2-CB 3.56Å; Y220-N445 HydrophobicContact CE1-CB 4.02Å; Y220-N445 HydrophobicContact CE2-CB 3.33Å; Y220-N445 HydrophobicContact CG-CB 3.98Å |
| 221 | P | 92.7 | Very high | 89.4 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -51.7 | 144.1 | 179.6 | -32.8 | 37.5 | 0 | 0 | 0 | 114.6 | F251 G252 T412 R413 D444 | P221-F251 HydrophobicContact CB-CE1 4.04Å; P221-G252 WeakPolarHBondContact CG-O 3.47Å; P221-T412 HydrophobicContact CB-CG2 4.45Å; P221-T412 WeakPolarHBondContact CG-OG1 3.24Å; P221-R413 VanDerWaalsContact CD-CZ 3.47Å; P221-D444 HydrophobicContact CB-CB 4.18Å; P221-D444 HydrophobicContact CG-CB 4.36Å |
| 222 | P | 93.8 | Very high | 88.6 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 154 | 172.4 | -22 | 32 | 0 | 0 | 0 | 113.4 | M193 V195 F251 I257 | M193-P222 HydrophobicContact CG-CB 3.44Å; M193-P222 VanDerWaalsContact CG-CB 3.44Å; M193-P222 HydrophobicContact CG-CG 3.98Å; M193-P222 HydrophobicContact SD-CB 4.01Å; M193-P222 HydrophobicContact SD-CG 3.88Å; V195-P222 HydrophobicContact CG2-CB 3.75Å; V195-P222 HydrophobicContact CG2-CG 3.77Å; P222-F251 HydrophobicContact CB-CZ 4.06Å; P222-F251 HydrophobicContact CG-CE2 4.46Å; P222-F251 HydrophobicContact CG-CZ 4.04Å; P222-I257 HydrophobicContact CG-CD1 3.47Å; P222-I257 VanDerWaalsContact CG-CD1 3.47Å; P222-I257 HydrophobicContact CG-CG1 4.41Å |
| 223 | L | 92.7 | Very high | 87.7 | Confident | 84 Ų | 84 | 43.7 Ų | 43.7 | 44% | 0.44 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 134.1 | 170.6 | -65.7 | 174.4 | 0 | 0 | 0 | 110.4 | S194 | S194-L223 PolarHBondContact N-O 3.09Å; S194-L223 PolarHBondContact O-N 3.23Å |
| 224 | L | 93.3 | Very high | 86.9 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.2 | -178.9 | -59 | 177.6 | 0 | 0 | 0 | 112.1 | K192 M193 I240 L243 F251 | K192-L224 CarbonylContact O-C 3.58Å; K192-L224 WeakPolarHBondContact O-CA 3.43Å; M193-L224 HydrophobicContact CB-CD2 3.9Å; M193-L224 HydrophobicContact CG-CD2 3.86Å; M193-L224 HydrophobicContact SD-CD2 4.4Å; L224-I240 HydrophobicContact CB-CD1 4.22Å; L224-I240 HydrophobicContact CB-CG1 3.52Å; L224-I240 HydrophobicContact CD1-CG1 4.45Å; L224-I240 PolarHBondContact O-N 2.81Å; L224-L243 HydrophobicContact CD1-CD2 3.74Å; L224-L243 HydrophobicContact CD1-CG 3.81Å; L224-L243 HydrophobicContact CD2-CD2 3.72Å; L224-L243 HydrophobicContact CD2-CG 4.32Å; L224-L243 HydrophobicContact CG-CD2 4.32Å; L224-F251 HydrophobicContact CD1-CD1 4.02Å; L224-F251 HydrophobicContact CD1-CE1 3.58Å; L224-F251 HydrophobicContact CD1-CE2 4.14Å; L224-F251 HydrophobicContact CD1-CG 4.48Å; L224-F251 HydrophobicContact CD1-CZ 3.65Å; L224-F251 HydrophobicContact CD2-CE1 4.47Å; L224-F251 HydrophobicContact CD2-CE2 4.22Å; L224-F251 HydrophobicContact CD2-CZ 3.78Å; L224-F251 HydrophobicContact CG-CE1 3.91Å; L224-F251 HydrophobicContact CG-CE2 4.46Å; L224-F251 HydrophobicContact CG-CZ 3.71Å |
| 225 | W | 91.7 | Very high | 86.2 | Confident | 58 Ų | 58 | 49 Ų | 49 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.7 | 176.3 | -57.8 | 78.4 | 0 | 0 | 0 | 111 | Y191 K192 N237 E238 A239 | Y191-W225 CarbonylContact C-O 3.6Å; Y191-W225 VanDerWaalsContact CA-O 3.29Å; Y191-W225 WeakPolarHBondContact CA-O 3.45Å; K192-W225 HydrophobicContact CB-CB 4.32Å; K192-W225 PolarHBondContact N-O 3.44Å; K192-W225 PolarHBondContact O-N 2.84Å; W225-N237 HydrophobicContact CD2-CB 4.48Å; W225-N237 HydrophobicContact CE3-CB 3.64Å; W225-N237 HydrophobicContact CZ3-CB 4.12Å; W225-E238 CarbonylContact C-O 3.5Å; W225-E238 WeakPolarHBondContact CA-O 3.42Å; W225-A239 HydrophobicContact CE3-CB 4.33Å; W225-A239 HydrophobicContact CZ3-CB 4.32Å |
| 226 | K | 91.4 | Very high | 85.3 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.1 | 166.5 | 70.1 | -178.7 | 173.8 | -161.8 | 0 | 112.1 | R190 Y191 E238 I240 N455 | R190-K226 CarbonylContact O-C 3.58Å; R190-K226 VanDerWaalsContact O-CA 3.25Å; R190-K226 WeakPolarHBondContact O-CA 3.27Å; Y191-K226 HydrophobicContact CD1-CB 4.05Å; Y191-K226 HydrophobicContact CE1-CB 4.09Å; K226-E238 WeakPolarHBondContact CE-OE2 3.39Å; K226-E238 HydrophobicContact CG-CB 3.97Å; K226-E238 PolarHBondContact N-O 2.89Å; K226-E238 IonicContact NZ-OE2 3.04Å; K226-E238 PolarHBondContact O-N 3.42Å; K226-I240 HydrophobicContact CB-CD1 4.21Å; K226-I240 HydrophobicContact CB-CG2 4.26Å; K226-I240 HydrophobicContact CD-CG2 3.53Å; K226-I240 HydrophobicContact CG-CG2 3.61Å; K226-N455 PolarHBondContact NZ-ND2 3.14Å |
| 227 | W | 90.1 | Very high | 84.7 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 11% | 0.106 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 154.7 | 167.6 | 67.1 | 100.8 | 0 | 0 | 0 | 110.9 | V174 R190 K192 | V174-W227 HydrophobicContact CG1-CH2 3.83Å; V174-W227 HydrophobicContact CG1-CZ2 4.15Å; V174-W227 HydrophobicContact CG2-CH2 4.36Å; R190-W227 HydrophobicContact CB-CD2 3.94Å; R190-W227 HydrophobicContact CB-CE3 4.32Å; R190-W227 HydrophobicContact CB-CH2 3.95Å; R190-W227 HydrophobicContact CB-CZ2 3.56Å; R190-W227 HydrophobicContact CB-CZ3 4.3Å; R190-W227 HydrophobicContact CG-CZ2 4.26Å; R190-W227 PolarHBondContact N-O 3.15Å; R190-W227 PolarHBondContact O-N 3.32Å; K192-W227 HydrophobicContact CB-CH2 3.83Å; K192-W227 HydrophobicContact CB-CZ3 3.51Å |
| 228 | K | 86.9 | Confident | 84.2 | Confident | 117 Ų | 117 | 63 Ų | 63 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 139.5 | 174.2 | -65.4 | -175.7 | -180 | -177.4 | 0 | 109.7 | Y187 S234 S235 | Y187-K228 HydrophobicContact CD1-CB 4.24Å; K228-S234 CarbonylContact O-C 3.6Å; K228-S234 WeakPolarHBondContact O-CA 3.45Å; K228-S235 PolarHBondContact N-OG 3.29Å; K228-S235 PolarHBondContact O-N 3.44Å |
| 229 | H | 81.2 | Confident | 84 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 20% | 0.199 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.8 | 179.6 | -170.5 | 66.5 | 0 | 0 | 0 | 111.3 | T188 R190 H233 | T188-H229 PolarHBondContact N-O 2.86Å; T188-H229 PolarHBondContact O-N 3.43Å; R190-H229 PolarHBondContact NH2-CD2 3.11Å; H229-H233 WeakPolarHBondContact CA-O 3.18Å; H229-H233 PolarHBondContact ND1-O 2.76Å |
| 230 | F | 77.6 | Confident | 84.1 | Confident | 80 Ų | 80 | 60 Ų | 60 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 129.3 | 177.3 | 175.4 | -107.5 | 0 | 0 | 0 | 111.8 | K186 Y187 G232 H233 | K186-F230 HydrophobicContact CB-CD2 3.79Å; K186-F230 HydrophobicContact CB-CE2 3.57Å; K186-F230 HydrophobicContact CB-CZ 4.35Å; K186-F230 HydrophobicContact CD-CE2 3.95Å; K186-F230 HydrophobicContact CD-CZ 4Å; K186-F230 HydrophobicContact CG-CE2 4.07Å; K186-F230 VanDerWaalsContact O-CD2 3.22Å; K186-F230 WeakPolarHBondContact O-CD2 3.48Å; Y187-F230 HydrophobicContact CD1-CB 3.3Å; Y187-F230 HydrophobicContact CD1-CG 4.19Å; Y187-F230 HydrophobicContact CE1-CB 3.32Å; Y187-F230 HydrophobicContact CE1-CD1 4.3Å; Y187-F230 AromaticContact CE1-CG 3.95Å; Y187-F230 HydrophobicContact CE1-CG 3.95Å; Y187-F230 HydrophobicContact CG-CB 4.12Å; F230-G232 PolarHBondContact O-N 3.4Å; F230-G232 VanDerWaalsContact O-N 3.07Å; F230-H233 PolarHBondContact N-O 3.44Å; F230-H233 WeakPolarHBondContact O-CA 3.38Å; F230-H233 WeakPolarHBondContact O-CB 3.31Å; F230-H233 PolarHBondContact O-N 3.14Å |
| 231 | G | 70.6 | Confident | 84.1 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 30.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H233 | G231-H233 VanDerWaalsContact C-N 3.33Š|
| 232 | G | 68.3 | Low | 84 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 63% | 0.629 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -13 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F230 | F230-G232 PolarHBondContact O-N 3.4Å; F230-G232 VanDerWaalsContact O-N 3.07Å |
| 233 | H | 69.5 | Low | 83.8 | Confident | 151 Ų | 151 | 60.3 Ų | 60.3 | 70% | 0.699 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.6 | 175 | -59.5 | -64.7 | 0 | 0 | 0 | 111.4 | H229 F230 G231 | H229-H233 WeakPolarHBondContact CA-O 3.18Å; H229-H233 PolarHBondContact ND1-O 2.76Å; F230-H233 PolarHBondContact N-O 3.44Å; F230-H233 WeakPolarHBondContact O-CA 3.38Å; F230-H233 WeakPolarHBondContact O-CB 3.31Å; F230-H233 PolarHBondContact O-N 3.14Å; G231-H233 VanDerWaalsContact C-N 3.33Å |
| 234 | S | 74.7 | Confident | 83.4 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.5 | 173.6 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | K228 | K228-S234 CarbonylContact O-C 3.6Å; K228-S234 WeakPolarHBondContact O-CA 3.45Å |
| 235 | S | 78.2 | Confident | 83.1 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 170.1 | 165.7 | 73.5 | 0 | 0 | 0 | 0 | 110.8 | K228 | K228-S235 PolarHBondContact N-OG 3.29Å; K228-S235 PolarHBondContact O-N 3.44Å |
| 236 | H | 76.7 | Confident | 83 | Confident | 160 Ų | 160 | 58.7 Ų | 58.7 | 74% | 0.741 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 147.3 | 168.6 | -170.1 | -78.9 | 0 | 0 | 0 | 110.4 | E238 | H236-E238 PolarHBondContact O-N 3.28Š|
| 237 | N | 81.9 | Confident | 83 | Confident | 63 Ų | 63 | 59 Ų | 59 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 121.7 | 174.8 | -67.4 | -15.6 | 0 | 0 | 0 | 109.9 | W225 | W225-N237 HydrophobicContact CD2-CB 4.48Å; W225-N237 HydrophobicContact CE3-CB 3.64Å; W225-N237 HydrophobicContact CZ3-CB 4.12Å |
| 238 | E | 85.3 | Confident | 83.1 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 38% | 0.383 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.4 | 175.5 | -66.2 | 171.5 | -162.7 | 0 | 0 | 109.2 | W225 K226 H236 | W225-E238 CarbonylContact C-O 3.5Å; W225-E238 WeakPolarHBondContact CA-O 3.42Å; K226-E238 WeakPolarHBondContact CE-OE2 3.39Å; K226-E238 HydrophobicContact CG-CB 3.97Å; K226-E238 PolarHBondContact N-O 2.89Å; K226-E238 IonicContact NZ-OE2 3.04Å; K226-E238 PolarHBondContact O-N 3.42Å; H236-E238 PolarHBondContact O-N 3.28Å |
| 239 | A | 88.4 | Confident | 83.2 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 140.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | W225 S453 F454 | W225-A239 HydrophobicContact CE3-CB 4.33Å; W225-A239 HydrophobicContact CZ3-CB 4.32Å; A239-S453 WeakPolarHBondContact CB-O 3.44Å; A239-S453 PolarHBondContact N-O 3.18Å; A239-S453 VanDerWaalsContact N-O 3.1Å; A239-F454 HydrophobicContact CB-CD1 4.02Å; A239-F454 HydrophobicContact CB-CE1 4.25Å |
| 240 | I | 90.8 | Very high | 83.7 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 9% | 0.087 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 163.4 | 177.5 | 62.3 | 179.7 | 0 | 0 | 0 | 110.4 | Y191 L224 K226 S242 | Y191-I240 HydrophobicContact CD1-CD1 3.8Å; Y191-I240 HydrophobicContact CE1-CD1 4.12Å; L224-I240 HydrophobicContact CB-CD1 4.22Å; L224-I240 HydrophobicContact CB-CG1 3.52Å; L224-I240 HydrophobicContact CD1-CG1 4.45Å; L224-I240 PolarHBondContact O-N 2.81Å; K226-I240 HydrophobicContact CB-CD1 4.21Å; K226-I240 HydrophobicContact CB-CG2 4.26Å; K226-I240 HydrophobicContact CD-CG2 3.53Å; K226-I240 HydrophobicContact CG-CG2 3.61Å; I240-S242 VanDerWaalsContact CD1-O 3.29Å; I240-S242 WeakPolarHBondContact CD1-O 3.36Å |
| 241 | V | 91 | Very high | 84.5 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -115.3 | -4.6 | -175.6 | -52.1 | 0 | 0 | 0 | 0 | 114.1 | R248 P411 F454 D458 V462 | V241-R248 HydrophobicContact CB-CG 4.17Å; V241-R248 HydrophobicContact CG2-CB 4.36Å; V241-R248 HydrophobicContact CG2-CG 3.87Å; V241-P411 HydrophobicContact CB-CB 4.26Å; V241-P411 HydrophobicContact CG1-CB 3.7Å; V241-F454 HydrophobicContact CG1-CE1 4.21Å; V241-D458 HydrophobicContact CG1-CB 4.35Å; V241-D458 WeakPolarHBondContact CG2-OD1 3.39Å; V241-V462 HydrophobicContact CG1-CG2 3.99Å; V241-V462 HydrophobicContact CG2-CG2 4.33Å |
| 242 | S | 90.9 | Very high | 85.5 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -138.2 | 161.7 | 179.8 | 62.1 | 0 | 0 | 0 | 0 | 111 | I240 | I240-S242 VanDerWaalsContact CD1-O 3.29Å; I240-S242 WeakPolarHBondContact CD1-O 3.36Å |
| 243 | L | 89.3 | Confident | 86.6 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -102.9 | 151.8 | 170.8 | -67.1 | 174.1 | 0 | 0 | 0 | 109.1 | L137 F175 L224 F245 C246 F251 | L137-L243 HydrophobicContact CD1-CD1 3.93Å; F175-L243 HydrophobicContact CZ-CD2 3.88Å; L224-L243 HydrophobicContact CD1-CD2 3.74Å; L224-L243 HydrophobicContact CD1-CG 3.81Å; L224-L243 HydrophobicContact CD2-CD2 3.72Å; L224-L243 HydrophobicContact CD2-CG 4.32Å; L224-L243 HydrophobicContact CG-CD2 4.32Å; L243-F245 HydrophobicContact CB-CE1 4.31Å; L243-F245 HydrophobicContact CB-CE2 4.37Å; L243-F245 HydrophobicContact CB-CZ 4.22Å; L243-F245 HydrophobicContact CD1-CE2 3.93Å; L243-F245 HydrophobicContact CD1-CZ 3.74Å; L243-F245 HydrophobicContact CG-CZ 4.48Å; L243-F245 PolarHBondContact O-N 2.97Å; L243-C246 HydrophobicContact CB-CB 4.08Å; L243-C246 PolarHBondContact N-O 3.47Å; L243-C246 CarbonylContact O-C 3.49Å; L243-C246 PolarHBondContact O-N 3.03Å; L243-F251 HydrophobicContact CD1-CD2 3.86Å; L243-F251 HydrophobicContact CD1-CE2 3.91Å; L243-F251 HydrophobicContact CG-CD2 4.3Å; L243-F251 HydrophobicContact CG-CE2 4.43Å |
| 244 | P | 84.8 | Confident | 87.8 | Confident | 58 Ų | 58 | 42.7 Ų | 42.7 | 38% | 0.377 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -27.4 | 177.7 | -30.5 | 37.8 | 0 | 0 | 0 | 115.1 | Y157 Y191 | Y157-P244 HydrophobicContact CE1-CB 4.17Å; Y157-P244 HydrophobicContact CE1-CG 4.33Å; Y157-P244 WeakPolarHBondContact OH-CB 3.22Å; Y191-P244 HydrophobicContact CD1-CG 4.28Å; Y191-P244 HydrophobicContact CD2-CG 4.37Å; Y191-P244 HydrophobicContact CE1-CG 3.6Å; Y191-P244 HydrophobicContact CE2-CG 3.71Å; Y191-P244 WeakPolarHBondContact OH-CG 3.28Å |
| 245 | F | 85.9 | Confident | 88.7 | Confident | 53 Ų | 53 | 40 Ų | 40 | 23% | 0.232 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 3.5 | -179.1 | 56.1 | -96.1 | 0 | 0 | 0 | 113.5 | F152 Y157 F175 L243 | F152-F245 AromaticContact CD2-CE1 3.81Å; F152-F245 HydrophobicContact CD2-CE1 3.81Å; F152-F245 AromaticContact CD2-CZ 3.81Å; F152-F245 HydrophobicContact CD2-CZ 3.81Å; F152-F245 HydrophobicContact CE2-CE1 4.27Å; Y157-F245 HydrophobicContact CD2-CD1 4.21Å; Y157-F245 HydrophobicContact CE2-CB 4.5Å; Y157-F245 AromaticContact CE2-CD1 3.78Å; Y157-F245 HydrophobicContact CE2-CD1 3.78Å; F175-F245 AromaticContact CE2-CE1 3.87Å; F175-F245 HydrophobicContact CE2-CE1 3.87Å; F175-F245 HydrophobicContact CZ-CE1 4.03Å; F175-F245 HydrophobicContact CZ-CZ 4.34Å; L243-F245 HydrophobicContact CB-CE1 4.31Å; L243-F245 HydrophobicContact CB-CE2 4.37Å; L243-F245 HydrophobicContact CB-CZ 4.22Å; L243-F245 HydrophobicContact CD1-CE2 3.93Å; L243-F245 HydrophobicContact CD1-CZ 3.74Å; L243-F245 HydrophobicContact CG-CZ 4.48Å; L243-F245 PolarHBondContact O-N 2.97Å |
| 246 | C | 89.7 | Confident | 89.5 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -147 | 116.4 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 110 | C150 L243 F251 | C150-C246 HydrophobicContact CB-CB 4.08Å; C150-C246 PolarHBondContact SG-SG 3.24Å; L243-C246 HydrophobicContact CB-CB 4.08Å; L243-C246 PolarHBondContact N-O 3.47Å; L243-C246 CarbonylContact O-C 3.49Å; L243-C246 PolarHBondContact O-N 3.03Å; C246-F251 PolarHBondContact SG-N 3.46Å; C246-F251 VanDerWaalsContact SG-N 3.39Å |
| 247 | C | 91.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 43% | 0.432 | 17% | 0.171 | S | C | . | . | trans | -63.7 | 160 | 178.9 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | E249 T250 F251 | C247-E249 VanDerWaalsContact C-N 3.33Å; C247-E249 PolarHBondContact O-N 2.69Å; C247-T250 PolarHBondContact O-N 2.57Å; C247-T250 VanDerWaalsContact SG-CB 3.58Å; C247-T250 PolarHBondContact SG-OG1 3.27Å; C247-F251 WeakPolarHBondContact O-CB 3.46Å; C247-F251 PolarHBondContact O-N 3.17Å | ||
| 248 | R | 91.4 | Very high | 91 | Very high | 33 Ų | 33 | 27.5 Ų | 27.5 | 13% | 0.125 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.1 | -47.5 | -175.9 | -179.4 | -176.6 | 85.9 | 110.5 | -10.7 | 112.7 | V241 F251 G252 P411 E461 | V241-R248 HydrophobicContact CB-CG 4.17Å; V241-R248 HydrophobicContact CG2-CB 4.36Å; V241-R248 HydrophobicContact CG2-CG 3.87Å; R248-F251 PolarHBondContact O-N 3Å; R248-G252 PolarHBondContact O-N 3.38Å; R248-P411 WeakPolarHBondContact CD-O 3.45Å; R248-P411 VanDerWaalsContact CG-O 3.31Å; R248-P411 WeakPolarHBondContact CG-O 3.27Å; R248-P411 PolarHBondContact NH1-O 3.34Å; R248-E461 IonicContact NH2-OE1 3.31Å |
| 249 | E | 90 | Very high | 91.4 | Very high | 89 Ų | 89 | 23.6 Ų | 23.6 | 42% | 0.416 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.4 | -41.9 | -176.5 | -63.4 | 69.2 | -149.4 | 0 | 0 | 111.2 | C247 S253 | C247-E249 VanDerWaalsContact C-N 3.33Å; C247-E249 PolarHBondContact O-N 2.69Å; E249-S253 WeakPolarHBondContact O-CB 3.4Å; E249-S253 PolarHBondContact O-N 2.88Å; E249-S253 VanDerWaalsContact O-N 3.15Å; E249-S253 PolarHBondContact O-OG 2.92Å |
| 250 | T | 91.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 26% | 0.264 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -68.4 | -43.5 | 178 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | V149 C247 G252 S253 C254 | V149-T250 HydrophobicContact CG1-CG2 3.57Å; C247-T250 PolarHBondContact O-N 2.57Å; C247-T250 VanDerWaalsContact SG-CB 3.58Å; C247-T250 PolarHBondContact SG-OG1 3.27Å; T250-G252 PolarHBondContact O-N 3.45Å; T250-S253 PolarHBondContact O-N 3.43Å; T250-C254 PolarHBondContact O-N 3.41Å; T250-C254 PolarHBondContact O-SG 2.85Å |
| 251 | F | 93.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 176.6 | 176.9 | -105 | 0 | 0 | 0 | 111.4 | L137 M193 P221 P222 L224 L243 C246 C247 R248 S253 C254 T412 | L137-F251 HydrophobicContact CD1-CD2 3.71Å; L137-F251 HydrophobicContact CD1-CE2 4.07Å; M193-F251 HydrophobicContact SD-CE2 4.3Å; P221-F251 HydrophobicContact CB-CE1 4.04Å; P222-F251 HydrophobicContact CB-CZ 4.06Å; P222-F251 HydrophobicContact CG-CE2 4.46Å; P222-F251 HydrophobicContact CG-CZ 4.04Å; L224-F251 HydrophobicContact CD1-CD1 4.02Å; L224-F251 HydrophobicContact CD1-CE1 3.58Å; L224-F251 HydrophobicContact CD1-CE2 4.14Å; L224-F251 HydrophobicContact CD1-CG 4.48Å; L224-F251 HydrophobicContact CD1-CZ 3.65Å; L224-F251 HydrophobicContact CD2-CE1 4.47Å; L224-F251 HydrophobicContact CD2-CE2 4.22Å; L224-F251 HydrophobicContact CD2-CZ 3.78Å; L224-F251 HydrophobicContact CG-CE1 3.91Å; L224-F251 HydrophobicContact CG-CE2 4.46Å; L224-F251 HydrophobicContact CG-CZ 3.71Å; L243-F251 HydrophobicContact CD1-CD2 3.86Å; L243-F251 HydrophobicContact CD1-CE2 3.91Å; L243-F251 HydrophobicContact CG-CD2 4.3Å; L243-F251 HydrophobicContact CG-CE2 4.43Å; C246-F251 PolarHBondContact SG-N 3.46Å; C246-F251 VanDerWaalsContact SG-N 3.39Å; C247-F251 WeakPolarHBondContact O-CB 3.46Å; C247-F251 PolarHBondContact O-N 3.17Å; R248-F251 PolarHBondContact O-N 3Å; F251-S253 PolarHBondContact O-N 2.86Å; F251-C254 PolarHBondContact O-N 3.34Å; F251-T412 HydrophobicContact CD1-CG2 3.74Å; F251-T412 HydrophobicContact CE1-CG2 4.11Å |
| 252 | G | 92 | Very high | 91 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -31.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | P221 R248 T250 T412 R413 | P221-G252 WeakPolarHBondContact CG-O 3.47Å; R248-G252 PolarHBondContact O-N 3.38Å; T250-G252 PolarHBondContact O-N 3.45Å; G252-T412 VanDerWaalsContact CA-CB 3.45Å; G252-T412 WeakPolarHBondContact CA-OG1 3.47Å; G252-R413 WeakPolarHBondContact O-CD 3.17Å |
| 253 | S | 92.3 | Very high | 90.2 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 19% | 0.189 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -87.7 | -13.2 | -175.6 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | E249 T250 F251 S325 L326 | E249-S253 WeakPolarHBondContact O-CB 3.4Å; E249-S253 PolarHBondContact O-N 2.88Å; E249-S253 VanDerWaalsContact O-N 3.15Å; E249-S253 PolarHBondContact O-OG 2.92Å; T250-S253 PolarHBondContact O-N 3.43Å; F251-S253 PolarHBondContact O-N 2.86Å; S253-S325 WeakPolarHBondContact O-CA 3.41Å; S253-L326 PolarHBondContact O-N 3.37Å |
| 254 | C | 93.8 | Very high | 89 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | trans | -74.1 | 125.1 | 173.4 | -68.2 | 0 | 0 | 0 | 0 | 110.8 | L137 G138 T250 F251 | L137-C254 HydrophobicContact CB-CB 4.14Å; G138-C254 CarbonylContact O-C 3.52Å; G138-C254 WeakPolarHBondContact O-CA 3.47Å; T250-C254 PolarHBondContact O-N 3.41Å; T250-C254 PolarHBondContact O-SG 2.85Å; F251-C254 PolarHBondContact O-N 3.34Å | ||
| 255 | S | 92.5 | Very high | 88.2 | Confident | 20 Ų | 20 | 33 Ų | 33 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | trans | -102 | -3.8 | 179.7 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | G138 T217 V218 | G138-S255 PolarHBondContact O-N 2.6Å; T217-S255 CarbonylContact C-O 3.56Å; T217-S255 WeakPolarHBondContact CA-O 3.4Å; V218-S255 WeakPolarHBondContact CG2-O 3.35Å; V218-S255 PolarHBondContact N-O 2.71Å | ||
| 256 | V | 95.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 133.4 | -175.3 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | G138 F140 F146 Y215 L216 T217 | G138-V256 PolarHBondContact N-O 2.91Å; G138-V256 PolarHBondContact O-N 3.23Å; F140-V256 HydrophobicContact CD2-CG1 4.26Å; F140-V256 HydrophobicContact CD2-CG2 3.48Å; F140-V256 VanDerWaalsContact CD2-CG2 3.48Å; F140-V256 HydrophobicContact CE2-CG1 3.94Å; F140-V256 HydrophobicContact CE2-CG2 4.01Å; F140-V256 HydrophobicContact CG-CG2 4.24Å; F146-V256 HydrophobicContact CD2-CB 4.3Å; F146-V256 HydrophobicContact CD2-CG1 3.95Å; F146-V256 HydrophobicContact CE2-CB 3.86Å; F146-V256 HydrophobicContact CE2-CG1 3.64Å; Y215-V256 HydrophobicContact CD1-CG1 4.07Å; L216-V256 WeakPolarHBondContact O-CA 3.39Å; T217-V256 HydrophobicContact CG2-CG2 4.3Å |
| 257 | I | 95.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.7 | 168.5 | -53.8 | 167.8 | 0 | 0 | 0 | 107.7 | L137 M171 M193 V195 L216 V218 P222 L259 | L137-I257 HydrophobicContact CD2-CB 4.32Å; L137-I257 HydrophobicContact CD2-CG1 3.87Å; L137-I257 HydrophobicContact CD2-CG2 4.19Å; M171-I257 HydrophobicContact CE-CD1 4.46Å; M193-I257 HydrophobicContact CE-CD1 4.05Å; M193-I257 HydrophobicContact CE-CG2 3.94Å; M193-I257 HydrophobicContact SD-CD1 4.26Å; V195-I257 HydrophobicContact CG2-CD1 3.73Å; L216-I257 HydrophobicContact CB-CB 4.39Å; L216-I257 PolarHBondContact N-O 2.94Å; L216-I257 PolarHBondContact O-N 3.36Å; V218-I257 HydrophobicContact CG1-CD1 4.27Å; P222-I257 HydrophobicContact CG-CD1 3.47Å; P222-I257 VanDerWaalsContact CG-CD1 3.47Å; P222-I257 HydrophobicContact CG-CG1 4.41Å; I257-L259 HydrophobicContact CG2-CD2 4.15Å |
| 258 | M | 95 | Very high | 85.3 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.9 | 174.1 | 179.6 | -84.1 | -105.3 | 0 | 0 | 110.1 | I135 N136 F146 I214 Y215 R260 I294 | I135-M258 WeakPolarHBondContact CA-O 3.19Å; N136-M258 HydrophobicContact CB-CB 4.2Å; N136-M258 HydrophobicContact CB-CE 4.23Å; N136-M258 PolarHBondContact N-O 3.22Å; N136-M258 WeakPolarHBondContact ND2-CE 3.39Å; N136-M258 PolarHBondContact O-N 3.01Å; F146-M258 HydrophobicContact CE1-CB 4.19Å; F146-M258 HydrophobicContact CZ-CB 3.97Å; I214-M258 CarbonylContact O-C 3.54Å; I214-M258 WeakPolarHBondContact O-CA 3.39Å; Y215-M258 HydrophobicContact CD1-CB 3.7Å; Y215-M258 HydrophobicContact CD1-CG 3.71Å; Y215-M258 HydrophobicContact CE1-CB 3.82Å; Y215-M258 HydrophobicContact CE1-CG 3.42Å; Y215-M258 VanDerWaalsContact CE1-CG 3.42Å; Y215-M258 HydrophobicContact CE2-CG 4.44Å; Y215-M258 HydrophobicContact CG-CB 4.47Å; Y215-M258 HydrophobicContact CG-CG 4.33Å; M258-R260 HydrophobicContact SD-CB 4.23Å; M258-I294 HydrophobicContact CE-CD1 4.07Å |
| 259 | L | 94.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.8 | 173.7 | -55.7 | 176.8 | 0 | 0 | 0 | 109.2 | I132 I135 F164 M171 I173 D213 I214 L216 I257 L261 | I132-L259 HydrophobicContact CG2-CB 4.43Å; I132-L259 HydrophobicContact CG2-CD2 4.4Å; I135-L259 HydrophobicContact CB-CD2 4.48Å; I135-L259 HydrophobicContact CD1-CD2 4.46Å; I135-L259 HydrophobicContact CG1-CD2 3.93Å; I135-L259 HydrophobicContact CG2-CD2 4.12Å; F164-L259 HydrophobicContact CZ-CD1 3.87Å; M171-L259 HydrophobicContact SD-CD1 4.03Å; I173-L259 HydrophobicContact CD1-CD1 4.4Å; I173-L259 HydrophobicContact CD1-CD2 3.79Å; D213-L259 WeakPolarHBondContact CA-O 3.47Å; I214-L259 PolarHBondContact N-O 2.97Å; I214-L259 PolarHBondContact O-N 3.44Å; L216-L259 HydrophobicContact CD1-CD1 4.08Å; I257-L259 HydrophobicContact CG2-CD2 4.15Å; L259-L261 HydrophobicContact CB-CD2 4.39Å |
| 260 | R | 91.3 | Very high | 83.7 | Confident | 70 Ų | 70 | 42.2 Ų | 42.2 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 111.1 | 172.4 | -179.5 | 165.8 | -72.1 | 165.6 | -0.8 | 110.5 | I132 A133 D134 W211 D213 M258 | I132-R260 CarbonylContact C-O 3.58Å; A133-R260 HydrophobicContact CB-CB 4.31Å; A133-R260 HydrophobicContact CB-CG 3.97Å; A133-R260 PolarHBondContact N-O 2.91Å; D134-R260 HydrophobicContact CB-CB 3.83Å; D134-R260 PolarHBondContact O-N 3.49Å; W211-R260 HydrophobicContact CB-CG 4.35Å; W211-R260 HydrophobicContact CD2-CG 4.13Å; W211-R260 HydrophobicContact CE3-CG 3.58Å; W211-R260 HydrophobicContact CG-CG 4.46Å; W211-R260 HydrophobicContact CZ3-CG 4.26Å; D213-R260 WeakPolarHBondContact OD1-CA 3.28Å; D213-R260 WeakPolarHBondContact OD1-CB 3.43Å; D213-R260 WeakPolarHBondContact OD1-CD 3.35Å; D213-R260 WeakPolarHBondContact OD1-CG 3.32Å; D213-R260 IonicContact OD1-CZ 2.76Å; D213-R260 IonicContact OD1-NE 3.48Å; D213-R260 PolarHBondContact OD1-NE 3.18Å; D213-R260 IonicContact OD1-NH2 3.6Å; D213-R260 IonicContact OD2-CZ 3.52Å; D213-R260 IonicContact OD2-NE 3.88Å; D213-R260 PolarHBondContact OD2-NE 2.95Å; D213-R260 IonicContact OD2-NH2 2.87Å; D213-R260 PolarHBondContact OD2-NH2 3.38Å; M258-R260 HydrophobicContact SD-CB 4.23Å |
| 261 | L | 88.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.2 | -179.6 | -52.8 | -176.9 | 0 | 0 | 0 | 110.2 | W129 I132 W211 A212 I214 L259 L272 L275 | W129-L261 HydrophobicContact CD2-CD1 4.15Å; W129-L261 HydrophobicContact CG-CD1 4.4Å; W129-L261 HydrophobicContact CG-CD2 4.13Å; W129-L261 HydrophobicContact CZ2-CD1 4.2Å; I132-L261 HydrophobicContact CG1-CD2 4.11Å; I132-L261 HydrophobicContact CG2-CD2 4.31Å; W211-L261 WeakPolarHBondContact CA-O 3.32Å; A212-L261 HydrophobicContact CB-CB 4.5Å; A212-L261 PolarHBondContact N-O 3.1Å; A212-L261 PolarHBondContact O-N 3.23Å; I214-L261 HydrophobicContact CD1-CD1 3.49Å; I214-L261 VanDerWaalsContact CD1-CD1 3.49Å; I214-L261 HydrophobicContact CD1-CG 4.44Å; I214-L261 HydrophobicContact CG1-CD1 4.18Å; L259-L261 HydrophobicContact CB-CD2 4.39Å; L261-L272 HydrophobicContact CD1-CD1 4.17Å; L261-L275 HydrophobicContact CD1-CD2 4.39Å |
| 262 | K | 82.4 | Confident | 82.6 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 34% | 0.339 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 133.8 | 177 | -167.5 | 179.8 | 176.4 | -161.3 | 0 | 110.1 | Y131 W211 T264 | Y131-K262 HydrophobicContact CD1-CB 3.96Å; Y131-K262 HydrophobicContact CD1-CD 4.33Å; Y131-K262 HydrophobicContact CE1-CB 4.15Å; Y131-K262 HydrophobicContact CE1-CD 4.12Å; W211-K262 HydrophobicContact CE3-CB 4.05Å; W211-K262 HydrophobicContact CE3-CG 4.38Å; W211-K262 HydrophobicContact CH2-CB 4.07Å; W211-K262 HydrophobicContact CH2-CD 4.28Å; W211-K262 HydrophobicContact CH2-CG 3.93Å; W211-K262 HydrophobicContact CZ3-CB 3.48Å; W211-K262 VanDerWaalsContact CZ3-CB 3.48Å; W211-K262 HydrophobicContact CZ3-CG 3.81Å; K262-T264 HydrophobicContact CD-CG2 4.29Å; K262-T264 VanDerWaalsContact CE-OG1 3.25Å; K262-T264 WeakPolarHBondContact CE-OG1 3.48Å; K262-T264 HydrophobicContact CG-CG2 4.05Å |
| 263 | T | 74.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | trans | -132.5 | 82.6 | 177.3 | 59.1 | 0 | 0 | 0 | 0 | 108.5 | Y207 H210 W211 A212 D269 L272 | Y207-T263 HydrophobicContact CE2-CG2 4.09Å; H210-T263 CarbonylContact C-O 3.6Å; H210-T263 WeakPolarHBondContact CA-O 3.5Å; H210-T263 PolarHBondContact O-N 3.24Å; H210-T263 PolarHBondContact O-OG1 3.37Å; H210-T263 VanDerWaalsContact O-OG1 3.14Å; W211-T263 PolarHBondContact N-OG1 2.92Å; A212-T263 HydrophobicContact CB-CG2 3.99Å; T263-D269 WeakPolarHBondContact CB-OD1 3.37Å; T263-L272 HydrophobicContact CG2-CD2 3.79Å | ||
| 264 | T | 63.5 | Low | 81.8 | Confident | 75 Ų | 75 | 45 Ų | 45 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | trans | -108.9 | -18 | -178.6 | 41.3 | 0 | 0 | 0 | 0 | 114.5 | K262 E268 | K262-T264 HydrophobicContact CD-CG2 4.29Å; K262-T264 VanDerWaalsContact CE-OG1 3.25Å; K262-T264 WeakPolarHBondContact CE-OG1 3.48Å; K262-T264 HydrophobicContact CG-CG2 4.05Å; T264-E268 WeakPolarHBondContact CA-OE2 3.36Å; T264-E268 PolarHBondContact N-OE2 3.02Å; T264-E268 PolarHBondContact OG1-OE2 3.44Å | ||
| 265 | Q | 67.8 | Low | 81.5 | Confident | 116 Ų | 116 | 44.6 Ų | 44.6 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -122.1 | 147.5 | -179.6 | -60.3 | -177.4 | -3.9 | 0 | 0 | 109.9 | I267 E268 D269 | Q265-I267 PolarHBondContact O-N 2.96Å; Q265-I267 VanDerWaalsContact O-N 3.08Å; Q265-E268 HydrophobicContact CB-CG 4.27Å; Q265-E268 PolarHBondContact N-OE2 3Å; Q265-E268 VanDerWaalsContact N-OE2 3.11Å; Q265-E268 WeakPolarHBondContact O-CA 3.25Å; Q265-E268 WeakPolarHBondContact O-CB 3.38Å; Q265-E268 PolarHBondContact O-N 2.96Å; Q265-D269 PolarHBondContact O-N 3.09Å |
| 266 | A | 67.2 | Low | 81.3 | Confident | 72 Ų | 72 | 44 Ų | 44 | 60% | 0.595 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -53 | -33.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | E268 D269 E270 | A266-E268 VanDerWaalsContact C-N 3.32Å; A266-E268 PolarHBondContact O-N 3.42Å; A266-D269 WeakPolarHBondContact O-CB 3.1Å; A266-D269 PolarHBondContact O-N 3.4Å; A266-E270 PolarHBondContact O-N 3.47Å; A266-E270 VanDerWaalsContact O-N 3.09Å |
| 267 | I | 67.9 | Low | 80.9 | Confident | 121 Ų | 121 | 43.9 Ų | 43.9 | 62% | 0.621 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63 | -37.3 | 174.7 | -60.4 | 172.2 | 0 | 0 | 0 | 111.7 | Q265 D269 M271 | Q265-I267 PolarHBondContact O-N 2.96Å; Q265-I267 VanDerWaalsContact O-N 3.08Å; I267-D269 VanDerWaalsContact C-N 3.34Å; I267-M271 WeakPolarHBondContact O-CB 3.44Å; I267-M271 PolarHBondContact O-N 3.46Å; I267-M271 VanDerWaalsContact O-N 3.07Å |
| 268 | E | 72.2 | Confident | 80.6 | Confident | 51 Ų | 51 | 44 Ų | 44 | 24% | 0.238 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.5 | -33 | 177.9 | -64.2 | 174.9 | 149.3 | 0 | 0 | 111.1 | T264 Q265 A266 M271 L272 | T264-E268 WeakPolarHBondContact CA-OE2 3.36Å; T264-E268 PolarHBondContact N-OE2 3.02Å; T264-E268 PolarHBondContact OG1-OE2 3.44Å; Q265-E268 HydrophobicContact CB-CG 4.27Å; Q265-E268 PolarHBondContact N-OE2 3Å; Q265-E268 VanDerWaalsContact N-OE2 3.11Å; Q265-E268 WeakPolarHBondContact O-CA 3.25Å; Q265-E268 WeakPolarHBondContact O-CB 3.38Å; Q265-E268 PolarHBondContact O-N 2.96Å; A266-E268 VanDerWaalsContact C-N 3.32Å; A266-E268 PolarHBondContact O-N 3.42Å; E268-M271 PolarHBondContact O-N 3.4Å; E268-L272 WeakPolarHBondContact O-CB 3.13Å; E268-L272 PolarHBondContact O-N 3.19Å |
| 269 | D | 71.7 | Confident | 80.3 | Confident | 51 Ų | 51 | 44 Ų | 44 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 174.9 | -65.7 | -7.9 | 0 | 0 | 0 | 111.3 | Y207 T263 Q265 A266 I267 M271 L272 W273 | Y207-D269 PolarHBondContact OH-OD1 3.45Å; Y207-D269 PolarHBondContact OH-OD2 2.97Å; T263-D269 WeakPolarHBondContact CB-OD1 3.37Å; Q265-D269 PolarHBondContact O-N 3.09Å; A266-D269 WeakPolarHBondContact O-CB 3.1Å; A266-D269 PolarHBondContact O-N 3.4Å; I267-D269 VanDerWaalsContact C-N 3.34Å; D269-M271 VanDerWaalsContact C-N 3.34Å; D269-M271 PolarHBondContact O-N 2.9Å; D269-L272 PolarHBondContact O-N 3.06Å; D269-W273 PolarHBondContact O-N 3.18Å |
| 270 | E | 75 | Confident | 79.9 | Confident | 143 Ų | 143 | 45.1 Ų | 45.1 | 67% | 0.668 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.5 | -43.8 | 174.8 | -73.3 | -179.9 | -175.2 | 0 | 0 | 111.6 | A266 W273 A274 | A266-E270 PolarHBondContact O-N 3.47Å; A266-E270 VanDerWaalsContact O-N 3.09Å; E270-W273 PolarHBondContact O-N 2.94Å; E270-A274 WeakPolarHBondContact O-CB 3.43Å; E270-A274 PolarHBondContact O-N 3.44Å |
| 271 | M | 80.4 | Confident | 79.5 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 178.3 | -168.9 | 177.3 | 74.8 | 0 | 0 | 111.7 | W129 I267 E268 D269 A274 L275 | W129-M271 HydrophobicContact CD2-CE 3.99Å; W129-M271 VanDerWaalsContact CE2-CE 3.4Å; W129-M271 HydrophobicContact CG-CE 4.49Å; W129-M271 HydrophobicContact CH2-CE 4.08Å; W129-M271 HydrophobicContact CH2-CG 3.93Å; W129-M271 WeakPolarHBondContact CH2-O 3.46Å; W129-M271 HydrophobicContact CZ2-CE 3.48Å; W129-M271 VanDerWaalsContact CZ2-CE 3.48Å; W129-M271 HydrophobicContact CZ2-CG 4.11Å; I267-M271 WeakPolarHBondContact O-CB 3.44Å; I267-M271 PolarHBondContact O-N 3.46Å; I267-M271 VanDerWaalsContact O-N 3.07Å; E268-M271 PolarHBondContact O-N 3.4Å; D269-M271 VanDerWaalsContact C-N 3.34Å; D269-M271 PolarHBondContact O-N 2.9Å; M271-A274 PolarHBondContact O-N 2.62Å; M271-L275 PolarHBondContact O-N 2.9Å |
| 272 | L | 83.1 | Confident | 79.4 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 174.4 | 174.4 | 66.4 | 0 | 0 | 0 | 111.4 | W129 Y207 A212 I214 L261 T263 E268 D269 L275 I276 | W129-L272 HydrophobicContact CZ2-CB 4.33Å; Y207-L272 HydrophobicContact CD2-CD2 4.22Å; Y207-L272 HydrophobicContact CE2-CD2 4.33Å; A212-L272 HydrophobicContact CB-CD1 4.01Å; A212-L272 HydrophobicContact CB-CD2 3.35Å; A212-L272 HydrophobicContact CB-CG 4.35Å; I214-L272 HydrophobicContact CD1-CD1 3.87Å; L261-L272 HydrophobicContact CD1-CD1 4.17Å; T263-L272 HydrophobicContact CG2-CD2 3.79Å; E268-L272 WeakPolarHBondContact O-CB 3.13Å; E268-L272 PolarHBondContact O-N 3.19Å; D269-L272 PolarHBondContact O-N 3.06Å; L272-L275 WeakPolarHBondContact O-CB 3.36Å; L272-L275 PolarHBondContact O-N 3.29Å; L272-I276 HydrophobicContact CD1-CD1 4.05Å; L272-I276 HydrophobicContact CD1-CG1 4.4Å; L272-I276 HydrophobicContact CG-CD1 3.98Å; L272-I276 WeakPolarHBondContact O-CG1 3.46Å; L272-I276 PolarHBondContact O-N 2.77Å |
| 273 | W | 82.3 | Confident | 79.7 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 179.9 | -162.8 | -119.2 | 0 | 0 | 0 | 111.6 | L85 F89 L113 D269 E270 L275 I276 C277 F289 | L85-W273 HydrophobicContact CD2-CH2 3.9Å; L85-W273 HydrophobicContact CD2-CZ2 3.24Å; L85-W273 HydrophobicContact CG-CZ2 4.4Å; F89-W273 AromaticContact CE2-CH2 3.49Å; F89-W273 HydrophobicContact CE2-CH2 3.49Å; F89-W273 VanDerWaalsContact CE2-CH2 3.49Å; F89-W273 HydrophobicContact CE2-CZ2 4.26Å; F89-W273 AromaticContact CE2-CZ3 3.64Å; F89-W273 HydrophobicContact CE2-CZ3 3.64Å; F89-W273 AromaticContact CZ-CH2 3.75Å; F89-W273 HydrophobicContact CZ-CH2 3.75Å; F89-W273 AromaticContact CZ-CZ3 3.88Å; F89-W273 HydrophobicContact CZ-CZ3 3.88Å; L113-W273 HydrophobicContact CD1-CH2 3.88Å; L113-W273 HydrophobicContact CD1-CZ2 4.14Å; D269-W273 PolarHBondContact O-N 3.18Å; E270-W273 PolarHBondContact O-N 2.94Å; W273-L275 VanDerWaalsContact C-N 3.34Å; W273-L275 PolarHBondContact O-N 3.13Å; W273-I276 HydrophobicContact CE3-CB 4.45Å; W273-I276 HydrophobicContact CE3-CD1 3.97Å; W273-I276 HydrophobicContact CH2-CG2 4.48Å; W273-I276 HydrophobicContact CZ3-CD1 4.09Å; W273-I276 HydrophobicContact CZ3-CG2 4.13Å; W273-I276 PolarHBondContact O-N 2.93Å; W273-C277 WeakPolarHBondContact O-CB 3.34Å; W273-C277 PolarHBondContact O-N 2.86Å; W273-C277 PolarHBondContact O-SG 2.84Å; W273-F289 HydrophobicContact CH2-CE1 4.12Å; W273-F289 HydrophobicContact CH2-CE2 4.29Å; W273-F289 AromaticContact CH2-CZ 3.57Å; W273-F289 HydrophobicContact CH2-CZ 3.57Å; W273-F289 AromaticContact CZ3-CE1 3.64Å; W273-F289 HydrophobicContact CZ3-CE1 3.64Å; W273-F289 AromaticContact CZ3-CZ 3.53Å; W273-F289 HydrophobicContact CZ3-CZ 3.53Å |
| 274 | A | 84.6 | Confident | 80.1 | Confident | 18 Ų | 18 | 54 Ų | 54 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | C121 H127 E270 M271 C277 R278 | C121-A274 HydrophobicContact CB-CB 4.45Å; H127-A274 WeakPolarHBondContact NE2-CB 3.5Å; E270-A274 WeakPolarHBondContact O-CB 3.43Å; E270-A274 PolarHBondContact O-N 3.44Å; M271-A274 PolarHBondContact O-N 2.62Å; A274-C277 PolarHBondContact O-N 3.15Å; A274-R278 WeakPolarHBondContact O-CB 3.43Å; A274-R278 VanDerWaalsContact O-CG 3.24Å; A274-R278 WeakPolarHBondContact O-CG 3.32Å; A274-R278 PolarHBondContact O-N 2.76Å |
| 275 | L | 88 | Confident | 81.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.8 | -51.9 | 173.8 | 168.5 | 71.8 | 0 | 0 | 0 | 112.1 | H127 W129 F164 I214 L261 M271 L272 W273 C277 R278 L279 | H127-L275 HydrophobicContact CB-CD1 4.16Å; W129-L275 HydrophobicContact CE3-CD2 4Å; W129-L275 HydrophobicContact CH2-CB 3.36Å; W129-L275 HydrophobicContact CH2-CD2 3.49Å; W129-L275 VanDerWaalsContact CH2-CD2 3.49Å; W129-L275 HydrophobicContact CH2-CG 3.9Å; W129-L275 HydrophobicContact CZ2-CD2 4.28Å; W129-L275 HydrophobicContact CZ3-CB 3.5Å; W129-L275 HydrophobicContact CZ3-CD1 3.84Å; W129-L275 HydrophobicContact CZ3-CD2 3.32Å; W129-L275 HydrophobicContact CZ3-CG 3.68Å; F164-L275 HydrophobicContact CB-CD1 3.47Å; F164-L275 VanDerWaalsContact CB-CD1 3.47Å; F164-L275 HydrophobicContact CD1-CD1 3.65Å; F164-L275 HydrophobicContact CD2-CD1 3.55Å; F164-L275 HydrophobicContact CD2-CD2 4.15Å; F164-L275 HydrophobicContact CE1-CD1 4.19Å; F164-L275 HydrophobicContact CE1-CD2 4.43Å; F164-L275 HydrophobicContact CE2-CD1 4.11Å; F164-L275 HydrophobicContact CE2-CD2 3.88Å; F164-L275 HydrophobicContact CG-CD1 3.28Å; F164-L275 HydrophobicContact CZ-CD1 4.4Å; F164-L275 HydrophobicContact CZ-CD2 4.03Å; I214-L275 HydrophobicContact CD1-CD2 3.78Å; L261-L275 HydrophobicContact CD1-CD2 4.39Å; M271-L275 PolarHBondContact O-N 2.9Å; L272-L275 WeakPolarHBondContact O-CB 3.36Å; L272-L275 PolarHBondContact O-N 3.29Å; W273-L275 VanDerWaalsContact C-N 3.34Å; W273-L275 PolarHBondContact O-N 3.13Å; L275-C277 VanDerWaalsContact C-N 3.27Å; L275-C277 PolarHBondContact O-N 3.06Å; L275-R278 PolarHBondContact O-N 2.89Å; L275-L279 WeakPolarHBondContact O-CB 3.36Å; L275-L279 PolarHBondContact O-N 3.4Å |
| 276 | I | 88.1 | Confident | 82 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | -178.3 | -67.5 | 166.3 | 0 | 0 | 0 | 109.7 | F119 V205 L272 W273 L279 K280 V287 F289 | F119-I276 HydrophobicContact CE1-CG2 4.32Å; V205-I276 HydrophobicContact CG1-CD1 4.12Å; V205-I276 HydrophobicContact CG2-CD1 4.13Å; V205-I276 HydrophobicContact CG2-CG1 4.43Å; L272-I276 HydrophobicContact CD1-CD1 4.05Å; L272-I276 HydrophobicContact CD1-CG1 4.4Å; L272-I276 HydrophobicContact CG-CD1 3.98Å; L272-I276 WeakPolarHBondContact O-CG1 3.46Å; L272-I276 PolarHBondContact O-N 2.77Å; W273-I276 HydrophobicContact CE3-CB 4.45Å; W273-I276 HydrophobicContact CE3-CD1 3.97Å; W273-I276 HydrophobicContact CH2-CG2 4.48Å; W273-I276 HydrophobicContact CZ3-CD1 4.09Å; W273-I276 HydrophobicContact CZ3-CG2 4.13Å; W273-I276 PolarHBondContact O-N 2.93Å; I276-L279 PolarHBondContact O-N 3.4Å; I276-K280 WeakPolarHBondContact O-CB 3.41Å; I276-K280 PolarHBondContact O-N 3.22Å; I276-V287 HydrophobicContact CG2-CG1 4.03Å; I276-F289 HydrophobicContact CD1-CE1 4.29Å; I276-F289 HydrophobicContact CG2-CE1 4.39Å; I276-F289 HydrophobicContact CG2-CZ 3.83Å |
| 277 | C | 85.9 | Confident | 83 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -49.8 | 176.4 | -65.7 | 0 | 0 | 0 | 0 | 113 | F119 C121 W273 A274 L275 L279 R281 | F119-C277 VanDerWaalsContact CA-SG 3.57Å; F119-C277 HydrophobicContact CB-CB 4.08Å; F119-C277 HydrophobicContact CD1-CB 4.28Å; C121-C277 HydrophobicContact CB-CB 3.74Å; C121-C277 WeakPolarHBondContact SG-CB 3.16Å; W273-C277 WeakPolarHBondContact O-CB 3.34Å; W273-C277 PolarHBondContact O-N 2.86Å; W273-C277 PolarHBondContact O-SG 2.84Å; A274-C277 PolarHBondContact O-N 3.15Å; L275-C277 VanDerWaalsContact C-N 3.27Å; L275-C277 PolarHBondContact O-N 3.06Å; C277-L279 VanDerWaalsContact C-N 3.35Å; C277-L279 PolarHBondContact O-N 3.32Å; C277-R281 WeakPolarHBondContact O-CB 3.16Å; C277-R281 PolarHBondContact O-N 3.05Å |
| 278 | R | 88.4 | Confident | 84 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.3 | -66.4 | -66.2 | -67.6 | 142.5 | 6.3 | 111.6 | C121 D124 H166 A274 L275 R281 R282 E1320 | C121-R278 WeakPolarHBondContact SG-CD 3.17Å; D124-R278 PolarHBondContact O-NE 3.02Å; D124-R278 PolarHBondContact O-NH2 3.43Å; H166-R278 HydrophobicContact CB-CB 4.36Å; H166-R278 VanDerWaalsContact CD2-CB 3.43Å; H166-R278 WeakPolarHBondContact CD2-CB 3.34Å; H166-R278 VanDerWaalsContact CE1-CB 3.43Å; H166-R278 WeakPolarHBondContact CE1-CB 3.04Å; H166-R278 WeakPolarHBondContact NE2-CB 3.13Å; A274-R278 WeakPolarHBondContact O-CB 3.43Å; A274-R278 VanDerWaalsContact O-CG 3.24Å; A274-R278 WeakPolarHBondContact O-CG 3.32Å; A274-R278 PolarHBondContact O-N 2.76Å; L275-R278 PolarHBondContact O-N 2.89Å; R278-R281 PolarHBondContact O-N 3.49Å; R278-R282 VanDerWaalsContact O-CB 3.31Å; R278-R282 WeakPolarHBondContact O-CB 3.48Å; R278-R282 WeakPolarHBondContact O-CG 3.31Å; R278-R282 PolarHBondContact O-N 3.34Å; R278-E1320 IonicContact CZ-OE1 3.46Å; R278-E1320 IonicContact CZ-OE2 2.83Å; R278-E1320 IonicContact NH1-OE1 3.32Å; R278-E1320 IonicContact NH1-OE2 3.36Å; R278-E1320 PolarHBondContact NH1-OE2 2.78Å; R278-E1320 IonicContact NH2-OE1 3.68Å; R278-E1320 PolarHBondContact NH2-OE1 2.95Å; R278-E1320 IonicContact NH2-OE2 3.27Å; R278-E1320 PolarHBondContact NH2-OE2 2.74Å |
| 279 | L | 89 | Confident | 84.7 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -49.9 | 178 | -173.9 | 61.7 | 0 | 0 | 0 | 111.3 | Y197 L200 V203 L216 L275 I276 C277 R281 R282 A283 | Y197-L279 HydrophobicContact CD1-CD1 4.23Å; Y197-L279 HydrophobicContact CD2-CD1 4.29Å; Y197-L279 HydrophobicContact CE1-CD1 3.79Å; Y197-L279 HydrophobicContact CE2-CD1 3.85Å; Y197-L279 HydrophobicContact CG-CD1 4.46Å; L200-L279 HydrophobicContact CD1-CD1 3.84Å; V203-L279 HydrophobicContact CG1-CD2 4.29Å; V203-L279 HydrophobicContact CG2-CD2 3.87Å; V203-L279 HydrophobicContact CG2-CG 4.43Å; L216-L279 HydrophobicContact CD2-CD2 4.1Å; L275-L279 WeakPolarHBondContact O-CB 3.36Å; L275-L279 PolarHBondContact O-N 3.4Å; I276-L279 PolarHBondContact O-N 3.4Å; C277-L279 VanDerWaalsContact C-N 3.35Å; C277-L279 PolarHBondContact O-N 3.32Å; L279-R281 PolarHBondContact O-N 3.3Å; L279-R282 PolarHBondContact O-N 3.47Å; L279-A283 HydrophobicContact CD1-CB 4.27Å; L279-A283 WeakPolarHBondContact O-CB 3.45Å; L279-A283 PolarHBondContact O-N 3.27Å |
| 280 | K | 86.8 | Confident | 85.2 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 10% | 0.1 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 175.8 | -175.4 | 177.4 | 175.1 | -177.4 | 0 | 111.2 | L113 F119 I276 R282 R284 V287 | L113-K280 PolarHBondContact O-NZ 3.36Å; F119-K280 HydrophobicContact CD1-CB 4.13Å; F119-K280 HydrophobicContact CD1-CD 3.69Å; F119-K280 HydrophobicContact CD1-CG 4.49Å; F119-K280 HydrophobicContact CD2-CD 3.55Å; F119-K280 HydrophobicContact CE1-CB 4.21Å; F119-K280 HydrophobicContact CE1-CD 3.39Å; F119-K280 HydrophobicContact CE1-CG 4.4Å; F119-K280 HydrophobicContact CE2-CD 3.32Å; F119-K280 HydrophobicContact CG-CD 3.73Å; F119-K280 HydrophobicContact CZ-CD 3.18Å; I276-K280 WeakPolarHBondContact O-CB 3.41Å; I276-K280 PolarHBondContact O-N 3.22Å; K280-R282 PolarHBondContact O-N 2.97Å; K280-R284 WeakPolarHBondContact O-CA 3.43Å; K280-R284 PolarHBondContact O-N 3.23Å; K280-V287 HydrophobicContact CB-CG2 3.77Å; K280-V287 HydrophobicContact CD-CG2 4.32Å; K280-V287 HydrophobicContact CG-CG2 4Å |
| 281 | R | 82.4 | Confident | 85.5 | Confident | 122 Ų | 122 | 34.5 Ų | 34.5 | 46% | 0.46 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.1 | -39.1 | -176.4 | -172 | 175.5 | 177.8 | 134.2 | 1.3 | 112.7 | C277 R278 L279 | C277-R281 WeakPolarHBondContact O-CB 3.16Å; C277-R281 PolarHBondContact O-N 3.05Å; R278-R281 PolarHBondContact O-N 3.49Å; L279-R281 PolarHBondContact O-N 3.3Å |
| 282 | R | 86.9 | Confident | 85.8 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 6% | 0.06 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -92.9 | -33.7 | -174 | -64.2 | -58.9 | -72.6 | 178 | -4.4 | 114.8 | H166 D167 Y197 R278 L279 K280 E1320 M1321 D1322 | H166-R282 HydrophobicContact CB-CG 4.18Å; H166-R282 PolarHBondContact O-NE 3.39Å; D167-R282 PolarHBondContact O-NH2 2.88Å; Y197-R282 HydrophobicContact CD2-CB 3.97Å; Y197-R282 HydrophobicContact CE2-CB 3.93Å; R278-R282 VanDerWaalsContact O-CB 3.31Å; R278-R282 WeakPolarHBondContact O-CB 3.48Å; R278-R282 WeakPolarHBondContact O-CG 3.31Å; R278-R282 PolarHBondContact O-N 3.34Å; L279-R282 PolarHBondContact O-N 3.47Å; K280-R282 PolarHBondContact O-N 2.97Å; R282-E1320 VanDerWaalsContact CD-OE2 3.23Å; R282-E1320 WeakPolarHBondContact CD-OE2 3.48Å; R282-E1320 VanDerWaalsContact CZ-CD 3.46Å; R282-E1320 IonicContact CZ-OE1 2.62Å; R282-E1320 IonicContact CZ-OE2 2.78Å; R282-E1320 IonicContact NE-OE1 2.76Å; R282-E1320 PolarHBondContact NE-OE1 2.94Å; R282-E1320 IonicContact NE-OE2 2.72Å; R282-E1320 PolarHBondContact NH1-O 3.45Å; R282-E1320 IonicContact NH1-OE1 3.72Å; R282-E1320 IonicContact NH1-OE2 3.77Å; R282-E1320 IonicContact NH2-OE1 3.92Å; R282-M1321 PolarHBondContact NH2-O 3.07Å; R282-D1322 IonicContact NH2-OD1 3.77Å; R282-D1322 PolarHBondContact NH2-OD1 3.3Å |
| 283 | A | 87.4 | Confident | 85.9 | Confident | 16 Ų | 16 | 34.3 Ų | 34.3 | 13% | 0.132 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -78.1 | -25.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y197 L200 L279 V285 | Y197-A283 HydrophobicContact CD2-CB 3.94Å; Y197-A283 HydrophobicContact CG-CB 4.05Å; L200-A283 HydrophobicContact CD1-CB 3.95Å; L279-A283 HydrophobicContact CD1-CB 4.27Å; L279-A283 WeakPolarHBondContact O-CB 3.45Å; L279-A283 PolarHBondContact O-N 3.27Å; A283-V285 HydrophobicContact CB-CB 4.5Å; A283-V285 HydrophobicContact CB-CG1 4.14Å; A283-V285 HydrophobicContact CB-CG2 3.78Å; A283-V285 PolarHBondContact O-N 3.43Å |
| 284 | R | 83 | Confident | 86.1 | Confident | 183 Ų | 183 | 35.7 Ų | 35.7 | 69% | 0.691 | 17% | 0.166 | S | C | * | . | trans | 53.3 | 42.7 | -174.5 | -59.4 | -177.2 | 176.7 | -177 | -4.2 | 111.4 | K280 | K280-R284 WeakPolarHBondContact O-CA 3.43Å; K280-R284 PolarHBondContact O-N 3.23Å | ||
| 285 | V | 85.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | trans | -115.4 | 152.2 | 178.4 | -61.2 | 0 | 0 | 0 | 0 | 110.3 | L200 V203 A283 | L200-V285 HydrophobicContact CB-CG1 4Å; L200-V285 HydrophobicContact CB-CG2 4.41Å; L200-V285 WeakPolarHBondContact O-CG1 3.45Å; V203-V285 HydrophobicContact CG2-CG2 4.02Å; A283-V285 HydrophobicContact CB-CB 4.5Å; A283-V285 HydrophobicContact CB-CG1 4.14Å; A283-V285 HydrophobicContact CB-CG2 3.78Å; A283-V285 PolarHBondContact O-N 3.43Å | ||
| 286 | P | 85.4 | Confident | 86 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | trans | -58.2 | 142 | 171.3 | -22 | 33.7 | 0 | 0 | 0 | 111.1 | Y202 V203 Y288 | Y202-P286 WeakPolarHBondContact CA-O 3.43Å; Y202-P286 WeakPolarHBondContact CB-O 3.29Å; V203-P286 PolarHBondContact N-O 2.9Å; P286-Y288 HydrophobicContact CB-CE1 3.77Å; P286-Y288 HydrophobicContact CB-CE2 4.2Å | ||
| 287 | V | 89.2 | Confident | 85.4 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.6 | 171.7 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | V203 V205 I276 K280 F289 | V203-V287 HydrophobicContact CB-CG1 4.44Å; V203-V287 HydrophobicContact CB-CG2 4.31Å; V203-V287 CarbonylContact O-C 3.51Å; V203-V287 VanDerWaalsContact O-CA 3.31Å; V203-V287 WeakPolarHBondContact O-CA 3.49Å; V205-V287 HydrophobicContact CG2-CG1 4.12Å; I276-V287 HydrophobicContact CG2-CG1 4.03Å; K280-V287 HydrophobicContact CB-CG2 3.77Å; K280-V287 HydrophobicContact CD-CG2 4.32Å; K280-V287 HydrophobicContact CG-CG2 4Å; V287-F289 HydrophobicContact CB-CE2 4.43Å; V287-F289 HydrophobicContact CG1-CE1 4.44Å; V287-F289 HydrophobicContact CG1-CE2 3.84Å; V287-F289 HydrophobicContact CG1-CZ 3.78Å |
| 288 | Y | 88.4 | Confident | 84.4 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.3 | -179.1 | -56.5 | -48.9 | 0 | 0 | 0 | 110.8 | I20 F111 E112 Y202 V203 T204 V205 P286 | I20-Y288 HydrophobicContact CD1-CD1 3.68Å; I20-Y288 HydrophobicContact CD1-CE1 3.1Å; I20-Y288 HydrophobicContact CD1-CE2 4.45Å; I20-Y288 HydrophobicContact CG1-CE1 4.42Å; F111-Y288 CarbonylContact O-C 3.57Å; F111-Y288 WeakPolarHBondContact O-CA 3.48Å; E112-Y288 HydrophobicContact CB-CD1 4.05Å; E112-Y288 HydrophobicContact CB-CE1 4.16Å; Y202-Y288 HydrophobicContact CD1-CE2 4.24Å; Y202-Y288 AromaticContact CD2-CD2 3.65Å; Y202-Y288 HydrophobicContact CD2-CD2 3.65Å; Y202-Y288 AromaticContact CD2-CE2 3.73Å; Y202-Y288 HydrophobicContact CD2-CE2 3.73Å; Y202-Y288 HydrophobicContact CE2-CD2 4.22Å; Y202-Y288 HydrophobicContact CE2-CE2 4.36Å; Y202-Y288 HydrophobicContact CG-CD2 4.07Å; Y202-Y288 AromaticContact CG-CE2 3.67Å; Y202-Y288 HydrophobicContact CG-CE2 3.67Å; V203-Y288 PolarHBondContact O-N 3.39Å; T204-Y288 CarbonylContact C-O 3.52Å; T204-Y288 VanDerWaalsContact CA-O 3.29Å; T204-Y288 WeakPolarHBondContact CA-O 3.31Å; V205-Y288 PolarHBondContact N-O 2.91Å; P286-Y288 HydrophobicContact CB-CE1 3.77Å; P286-Y288 HydrophobicContact CB-CE2 4.2Å |
| 289 | F | 86.4 | Confident | 83.8 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.3 | 176.3 | -63.6 | -86.4 | 0 | 0 | 0 | 109.7 | F89 F110 F111 L113 V205 W273 I276 V287 | F89-F289 HydrophobicContact CD1-CD1 4.35Å; F89-F289 HydrophobicContact CE1-CB 3.68Å; F89-F289 AromaticContact CE1-CD1 3.29Å; F89-F289 HydrophobicContact CE1-CD1 3.29Å; F89-F289 HydrophobicContact CE1-CD2 4.02Å; F89-F289 AromaticContact CE1-CE1 3.86Å; F89-F289 HydrophobicContact CE1-CE1 3.86Å; F89-F289 HydrophobicContact CE1-CE2 4.5Å; F89-F289 AromaticContact CE1-CG 3.39Å; F89-F289 HydrophobicContact CE1-CG 3.39Å; F89-F289 HydrophobicContact CE1-CZ 4.42Å; F89-F289 HydrophobicContact CZ-CB 4.43Å; F89-F289 AromaticContact CZ-CD1 3.58Å; F89-F289 HydrophobicContact CZ-CD1 3.58Å; F89-F289 AromaticContact CZ-CD2 3.92Å; F89-F289 HydrophobicContact CZ-CD2 3.92Å; F89-F289 AromaticContact CZ-CE1 3.65Å; F89-F289 HydrophobicContact CZ-CE1 3.65Å; F89-F289 AromaticContact CZ-CE2 3.98Å; F89-F289 HydrophobicContact CZ-CE2 3.98Å; F89-F289 AromaticContact CZ-CG 3.72Å; F89-F289 HydrophobicContact CZ-CG 3.72Å; F89-F289 AromaticContact CZ-CZ 3.85Å; F89-F289 HydrophobicContact CZ-CZ 3.85Å; F110-F289 WeakPolarHBondContact CA-O 3.23Å; F111-F289 HydrophobicContact CD1-CB 4.09Å; F111-F289 VanDerWaalsContact CD1-O 3.32Å; F111-F289 WeakPolarHBondContact CD1-O 3.31Å; F111-F289 HydrophobicContact CD2-CB 4.37Å; F111-F289 HydrophobicContact CD2-CD2 4.48Å; F111-F289 HydrophobicContact CE1-CB 3.54Å; F111-F289 HydrophobicContact CE2-CB 3.86Å; F111-F289 HydrophobicContact CE2-CD2 4.01Å; F111-F289 HydrophobicContact CE2-CG 4.21Å; F111-F289 HydrophobicContact CG-CB 4.48Å; F111-F289 HydrophobicContact CZ-CB 3.42Å; F111-F289 VanDerWaalsContact CZ-CB 3.42Å; F111-F289 HydrophobicContact CZ-CD2 4.35Å; F111-F289 HydrophobicContact CZ-CG 4.08Å; F111-F289 PolarHBondContact N-O 3.18Å; F111-F289 PolarHBondContact O-N 3.23Å; L113-F289 HydrophobicContact CD1-CE2 4.06Å; L113-F289 HydrophobicContact CG-CE2 4.48Å; V205-F289 HydrophobicContact CB-CD1 3.75Å; V205-F289 HydrophobicContact CB-CE1 3.85Å; V205-F289 HydrophobicContact CG1-CD1 4.16Å; V205-F289 HydrophobicContact CG1-CE1 4.13Å; V205-F289 HydrophobicContact CG2-CD1 4.41Å; V205-F289 HydrophobicContact CG2-CE1 4.08Å; W273-F289 HydrophobicContact CH2-CE1 4.12Å; W273-F289 HydrophobicContact CH2-CE2 4.29Å; W273-F289 AromaticContact CH2-CZ 3.57Å; W273-F289 HydrophobicContact CH2-CZ 3.57Å; W273-F289 AromaticContact CZ3-CE1 3.64Å; W273-F289 HydrophobicContact CZ3-CE1 3.64Å; W273-F289 AromaticContact CZ3-CZ 3.53Å; W273-F289 HydrophobicContact CZ3-CZ 3.53Å; I276-F289 HydrophobicContact CD1-CE1 4.29Å; I276-F289 HydrophobicContact CG2-CE1 4.39Å; I276-F289 HydrophobicContact CG2-CZ 3.83Å; V287-F289 HydrophobicContact CB-CE2 4.43Å; V287-F289 HydrophobicContact CG1-CE1 4.44Å; V287-F289 HydrophobicContact CG1-CE2 3.84Å; V287-F289 HydrophobicContact CG1-CZ 3.78Å |
| 290 | G | 82.5 | Confident | 83.2 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 9% | 0.093 | 31% | 0.307 | C | S | . | . | trans | 170.7 | 164.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V205 | V205-G290 PolarHBondContact O-N 3.44Š| ||
| 291 | R | 82.1 | Confident | 82.7 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 46% | 0.457 | 32% | 0.315 | S | S | . | . | trans | -72.4 | 128.5 | 177.9 | -172.7 | 71.6 | -175.2 | 166.2 | -5.6 | 109.9 | F110 D206 | F110-R291 VanDerWaalsContact CZ-O 3.31Å; F110-R291 WeakPolarHBondContact CZ-O 3.45Å; D206-R291 IonicContact OD1-CZ 3.62Å; D206-R291 IonicContact OD1-NH1 3.97Å; D206-R291 PolarHBondContact OD1-NH1 3.34Å; D206-R291 VanDerWaalsContact OD2-CD 3.3Å; D206-R291 WeakPolarHBondContact OD2-CD 3.47Å; D206-R291 IonicContact OD2-CZ 3.36Å; D206-R291 IonicContact OD2-NE 2.83Å; D206-R291 IonicContact OD2-NH1 3.34Å; D206-R291 PolarHBondContact OD2-NH1 2.81Å | ||
| 292 | V | 85.9 | Confident | 82.1 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | trans | -105.1 | 128.4 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | F110 F140 G144 F146 T204 D206 Y215 | F110-V292 HydrophobicContact CE1-CG2 4.04Å; F110-V292 HydrophobicContact CZ-CG2 3.96Å; F140-V292 HydrophobicContact CE1-CG1 3.82Å; F140-V292 HydrophobicContact CE1-CG2 4.27Å; F140-V292 HydrophobicContact CZ-CG1 4.38Å; F140-V292 HydrophobicContact CZ-CG2 4.36Å; G144-V292 CarbonylContact O-C 3.54Å; G144-V292 WeakPolarHBondContact O-CA 3.45Å; G144-V292 WeakPolarHBondContact O-CG1 3.49Å; F146-V292 HydrophobicContact CB-CG1 3.53Å; T204-V292 HydrophobicContact CG2-CG2 3.85Å; D206-V292 HydrophobicContact CB-CB 4.4Å; D206-V292 HydrophobicContact CB-CG2 4.29Å; D206-V292 PolarHBondContact OD2-N 3.09Å; Y215-V292 HydrophobicContact CD2-CG2 4.13Å; Y215-V292 HydrophobicContact CE1-CG1 3.88Å; Y215-V292 HydrophobicContact CE2-CB 3.85Å; Y215-V292 HydrophobicContact CE2-CG1 4.06Å; Y215-V292 HydrophobicContact CE2-CG2 3.7Å; Y215-V292 WeakPolarHBondContact OH-CG1 3.49Å | ||
| 293 | T | 85.4 | Confident | 81.3 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.7 | 169 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | G144 F146 | G144-T293 PolarHBondContact O-N 2.88Å; G144-T293 PolarHBondContact O-OG1 3.26Å; F146-T293 PolarHBondContact N-O 3.28Å |
| 294 | I | 86.7 | Confident | 80.3 | Confident | 67 Ų | 67 | 71.4 Ų | 71.4 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.8 | 178.4 | -58.3 | 173.4 | 0 | 0 | 0 | 107.8 | F146 M258 | F146-I294 HydrophobicContact CD1-CG1 4.31Å; F146-I294 HydrophobicContact CD1-CG2 4.17Å; F146-I294 WeakPolarHBondContact O-CA 3.28Å; M258-I294 HydrophobicContact CE-CD1 4.07Å |
| 295 | E | 86 | Confident | 79.4 | Confident | 96 Ų | 96 | 65 Ų | 65 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.2 | 175.9 | -66.2 | -65.8 | 164.2 | 0 | 0 | 109.6 | F146 F147 S148 | F146-E295 PolarHBondContact O-N 2.93Å; F147-E295 CarbonylContact C-O 3.53Å; F147-E295 WeakPolarHBondContact CA-O 3.15Å; F147-E295 HydrophobicContact CD1-CB 3.94Å; F147-E295 HydrophobicContact CE1-CB 3.82Å; F147-E295 HydrophobicContact CE1-CG 4.48Å; F147-E295 HydrophobicContact CZ-CB 4.32Å; S148-E295 PolarHBondContact N-O 3.47Å |
| 296 | P | 83.1 | Confident | 78.1 | Confident | 89 Ų | 89 | 69 Ų | 69 | 58% | 0.578 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136.7 | 169.5 | 30.1 | -32.1 | 0 | 0 | 0 | 110 | T298 | P296-T298 PolarHBondContact O-N 3.33Å |
| 297 | L | 76.7 | Confident | 76.6 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | trans | -67.1 | 118 | 171.8 | -176.2 | 69.6 | 0 | 0 | 0 | 110.1 | Y139 S148 V149 L300 | Y139-L297 HydrophobicContact CE1-CD1 4.27Å; S148-L297 PolarHBondContact O-N 3.48Å; S148-L297 VanDerWaalsContact O-N 3.13Å; V149-L297 HydrophobicContact CB-CD2 4.5Å; V149-L297 HydrophobicContact CG1-CD2 4.03Å; V149-L297 HydrophobicContact CG2-CB 4.29Å; V149-L297 HydrophobicContact CG2-CD2 3.93Å; L297-L300 HydrophobicContact CD1-CD2 4.32Å; L297-L300 HydrophobicContact CD2-CD2 4.48Å; L297-L300 HydrophobicContact CD2-CG 4.2Å | ||
| 298 | T | 65.6 | Low | 75.1 | Confident | 137 Ų | 137 | 79.6 Ų | 79.6 | 84% | 0.84 | 42% | 0.424 | S | S | * | . | trans | -89 | -50.4 | 179.9 | 40.3 | 0 | 0 | 0 | 0 | 113.1 | P296 | P296-T298 PolarHBondContact O-N 3.33Š| ||
| 299 | K | 75.9 | Confident | 74.1 | Confident | 166 Ų | 166 | 80.5 Ų | 80.5 | 72% | 0.722 | 44% | 0.435 | S | S | * | . | trans | -161.2 | 137.8 | 174.3 | -163.5 | -178.6 | 174.7 | -177 | 0 | 109.7 | ||||
| 300 | L | 76.5 | Confident | 73.9 | Confident | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.325 | 44% | 0.436 | S | S | . | . | trans | -73.7 | 146.5 | 168.5 | -73.6 | 164.7 | 0 | 0 | 0 | 109.8 | L297 D302 L326 | L297-L300 HydrophobicContact CD1-CD2 4.32Å; L297-L300 HydrophobicContact CD2-CD2 4.48Å; L297-L300 HydrophobicContact CD2-CG 4.2Å; L300-D302 PolarHBondContact O-N 2.89Å; L300-D302 VanDerWaalsContact O-N 3.16Å; L300-L326 HydrophobicContact CD1-CD2 3.68Å; L300-L326 HydrophobicContact CD2-CD2 4.19Å | ||
| 301 | P | 75.4 | Confident | 74.2 | Confident | 42 Ų | 42 | 82.5 Ų | 82.5 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | trans | -57.5 | 122.7 | 169.7 | -16.6 | 28.4 | 0 | 0 | 0 | 109.5 | S330 M332 D333 | P301-S330 WeakPolarHBondContact CG-O 3.45Å; P301-M332 WeakPolarHBondContact CB-O 3.37Å; P301-D333 HydrophobicContact CB-CB 4.13Å; P301-D333 HydrophobicContact CG-CB 4.12Å | ||
| 302 | D | 69.7 | Low | 74.6 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 59% | 0.594 | 42% | 0.423 | S | S | * | . | trans | -108.9 | 75.2 | 177.2 | -166 | 21.3 | 0 | 0 | 0 | 108.1 | L300 | L300-D302 PolarHBondContact O-N 2.89Å; L300-D302 VanDerWaalsContact O-N 3.16Å | ||
| 303 | H | 71 | Confident | 74.9 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 28% | 0.278 | 43% | 0.431 | S | S | . | . | trans | -100.1 | 105.7 | 169.5 | -161.5 | -11.4 | 0 | 0 | 0 | 108.5 | W318 A337 | H303-W318 HydrophobicContact CB-CZ2 4.5Å; H303-A337 WeakPolarHBondContact CD2-CB 3.48Å; H303-A337 VanDerWaalsContact NE2-CB 3.3Å; H303-A337 WeakPolarHBondContact NE2-CB 3.4Å | ||
| 304 | E | 66.4 | Low | 75.2 | Confident | 144 Ų | 144 | 75.6 Ų | 75.6 | 67% | 0.673 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 139.7 | 165.1 | -66.6 | -169 | 156.5 | 0 | 0 | 109.3 | ||
| 305 | M | 63.7 | Low | 75.4 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 135.1 | 169.8 | -70.6 | -175.5 | 61.1 | 0 | 0 | 109.3 | W310 Q315 W318 | M305-W310 HydrophobicContact CE-CB 3.74Å; M305-W310 HydrophobicContact CE-CD2 3.17Å; M305-W310 HydrophobicContact CE-CE3 2.95Å; M305-W310 HydrophobicContact CE-CG 3.58Å; M305-W310 HydrophobicContact CE-CH2 4.23Å; M305-W310 HydrophobicContact CE-CZ2 4.45Å; M305-W310 HydrophobicContact CE-CZ3 3.53Å; M305-W310 HydrophobicContact SD-CD2 4.29Å; M305-W310 HydrophobicContact SD-CE3 3.58Å; M305-W310 VanDerWaalsContact SD-CE3 3.58Å; M305-W310 HydrophobicContact SD-CH2 4.17Å; M305-W310 HydrophobicContact SD-CZ3 3.5Å; M305-W310 WeakPolarHBondContact SD-CZ3 3.44Å; M305-Q315 HydrophobicContact CE-CB 4.3Å; M305-Q315 HydrophobicContact CE-CG 3.51Å; M305-Q315 HydrophobicContact SD-CG 4.35Å; M305-W318 HydrophobicContact CG-CD2 4.45Å; M305-W318 HydrophobicContact CG-CG 4.24Å; M305-W318 HydrophobicContact SD-CB 3.66Å; M305-W318 HydrophobicContact SD-CD2 4.05Å; M305-W318 HydrophobicContact SD-CG 3.43Å |
| 306 | T | 58.7 | Low | 75.8 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 58% | 0.577 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 150.6 | 171.8 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | A308 S309 | T306-A308 PolarHBondContact O-N 3.47Å; T306-S309 PolarHBondContact O-N 3.43Å; T306-S309 PolarHBondContact OG1-OG 3.28Å |
| 307 | E | 54.1 | Low | 76.3 | Confident | 164 Ų | 164 | 65 Ų | 65 | 77% | 0.766 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -28.4 | -174.3 | -66.3 | 177.5 | 173.5 | 0 | 0 | 114.5 | ||
| 308 | A | 57.6 | Low | 77 | Confident | 102 Ų | 102 | 63 Ų | 63 | 84% | 0.843 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T306 | T306-A308 PolarHBondContact O-N 3.47Š|
| 309 | S | 67.2 | Low | 78.3 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -45.3 | -164.2 | -59.8 | 0 | 0 | 0 | 0 | 114.4 | T306 F344 | T306-S309 PolarHBondContact O-N 3.43Å; T306-S309 PolarHBondContact OG1-OG 3.28Å; S309-F344 WeakPolarHBondContact O-CE1 3.46Å |
| 310 | W | 80.6 | Confident | 79.2 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 6% | 0.064 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -128 | 158.4 | -170.8 | -59.4 | -9.8 | 0 | 0 | 0 | 112.6 | M305 C314 Q315 W318 L340 L341 F344 | M305-W310 HydrophobicContact CE-CB 3.74Å; M305-W310 HydrophobicContact CE-CD2 3.17Å; M305-W310 HydrophobicContact CE-CE3 2.95Å; M305-W310 HydrophobicContact CE-CG 3.58Å; M305-W310 HydrophobicContact CE-CH2 4.23Å; M305-W310 HydrophobicContact CE-CZ2 4.45Å; M305-W310 HydrophobicContact CE-CZ3 3.53Å; M305-W310 HydrophobicContact SD-CD2 4.29Å; M305-W310 HydrophobicContact SD-CE3 3.58Å; M305-W310 VanDerWaalsContact SD-CE3 3.58Å; M305-W310 HydrophobicContact SD-CH2 4.17Å; M305-W310 HydrophobicContact SD-CZ3 3.5Å; M305-W310 WeakPolarHBondContact SD-CZ3 3.44Å; W310-C314 HydrophobicContact CB-CB 3.96Å; W310-C314 HydrophobicContact CD2-CB 4.18Å; W310-C314 HydrophobicContact CE3-CB 3.66Å; W310-C314 HydrophobicContact CG-CB 4.31Å; W310-Q315 HydrophobicContact CB-CG 4.38Å; W310-Q315 PolarHBondContact O-NE2 2.96Å; W310-W318 HydrophobicContact CH2-CD2 4.29Å; W310-W318 AromaticContact CH2-CE3 3.8Å; W310-W318 HydrophobicContact CH2-CE3 3.8Å; W310-W318 HydrophobicContact CH2-CZ3 4.18Å; W310-W318 HydrophobicContact CZ3-CB 4.04Å; W310-W318 HydrophobicContact CZ3-CD2 4.14Å; W310-W318 AromaticContact CZ3-CE3 3.89Å; W310-W318 HydrophobicContact CZ3-CE3 3.89Å; W310-W318 HydrophobicContact CZ3-CG 4.25Å; W310-L340 HydrophobicContact CH2-CB 3.71Å; W310-L340 HydrophobicContact CH2-CD1 3.68Å; W310-L340 HydrophobicContact CH2-CG 4.3Å; W310-L340 HydrophobicContact CZ2-CB 3.65Å; W310-L340 HydrophobicContact CZ2-CD1 4.45Å; W310-L340 HydrophobicContact CZ3-CD1 4.29Å; W310-L341 HydrophobicContact CZ2-CG 4.1Å; W310-F344 HydrophobicContact CB-CE2 4.39Å; W310-F344 HydrophobicContact CB-CZ 4.41Å; W310-F344 AromaticContact CD1-CD1 3.95Å |
| 311 | N | 89.4 | Confident | 80 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | trans | -67.9 | 163.1 | 167.8 | 72.5 | 17.5 | 0 | 0 | 0 | 112 | D313 C314 Q315 F344 E352 | N311-D313 VanDerWaalsContact C-N 3.28Å; N311-D313 PolarHBondContact O-N 3.08Å; N311-D313 PolarHBondContact OD1-N 3.25Å; N311-C314 PolarHBondContact O-N 3.06Å; N311-C314 WeakPolarHBondContact OD1-CB 3.23Å; N311-C314 PolarHBondContact OD1-N 3.13Å; N311-C314 PolarHBondContact OD1-SG 3.07Å; N311-Q315 WeakPolarHBondContact O-CG 3.26Å; N311-Q315 PolarHBondContact O-N 2.79Å; N311-Q315 VanDerWaalsContact O-N 3.13Å; N311-F344 HydrophobicContact CB-CE2 4.24Å; N311-F344 HydrophobicContact CB-CZ 4.23Å; N311-E352 PolarHBondContact ND2-OE1 2.9Å | ||
| 312 | F | 91.6 | Very high | 80.7 | Confident | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -33.2 | -175.9 | -175.9 | -106.8 | 0 | 0 | 0 | 113.6 | Q315 Y316 R405 I473 D475 R476 Y478 | F312-Q315 WeakPolarHBondContact O-CB 3.31Å; F312-Q315 PolarHBondContact O-N 3.45Å; F312-Y316 VanDerWaalsContact O-CB 3.31Å; F312-Y316 WeakPolarHBondContact O-CB 3.29Å; F312-Y316 PolarHBondContact O-N 2.82Å; F312-R405 VanDerWaalsContact CD1-CZ 3.46Å; F312-R405 VanDerWaalsContact CE1-CZ 3.46Å; F312-I473 HydrophobicContact CE2-CG2 4.38Å; F312-I473 VanDerWaalsContact CE2-O 3.3Å; F312-I473 WeakPolarHBondContact CE2-O 3.48Å; F312-I473 HydrophobicContact CZ-CB 4.38Å; F312-I473 HydrophobicContact CZ-CG2 4.24Å; F312-D475 VanDerWaalsContact CD2-OD1 3.22Å; F312-D475 WeakPolarHBondContact CD2-OD1 3.4Å; F312-R476 VanDerWaalsContact CD1-NH1 3.28Å; F312-R476 HydrophobicContact CD2-CG 3.85Å; F312-R476 HydrophobicContact CE2-CB 3.79Å; F312-R476 HydrophobicContact CE2-CG 3.58Å; F312-R476 HydrophobicContact CZ-CB 4.21Å; F312-R476 HydrophobicContact CZ-CG 4.19Å; F312-Y478 VanDerWaalsContact CE1-OH 3.22Å; F312-Y478 WeakPolarHBondContact CE1-OH 3.34Å; F312-Y478 AromaticContact CZ-CE2 3.92Å; F312-Y478 HydrophobicContact CZ-CE2 3.92Å; F312-Y478 AromaticContact CZ-CZ 3.96Å; F312-Y478 WeakPolarHBondContact CZ-OH 3.48Å |
| 313 | D | 91.3 | Very high | 81.7 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 178.1 | -75.9 | -45.2 | 0 | 0 | 0 | 111.8 | N311 Y316 Y317 E352 R405 | N311-D313 VanDerWaalsContact C-N 3.28Å; N311-D313 PolarHBondContact O-N 3.08Å; N311-D313 PolarHBondContact OD1-N 3.25Å; D313-Y316 WeakPolarHBondContact O-CB 3.49Å; D313-Y316 PolarHBondContact O-N 3.29Å; D313-Y317 WeakPolarHBondContact O-CD2 3.25Å; D313-Y317 PolarHBondContact O-N 2.91Å; D313-E352 HydrophobicContact CB-CG 3.84Å; D313-R405 IonicContact OD1-CZ 2.87Å; D313-R405 IonicContact OD1-NE 3.09Å; D313-R405 IonicContact OD1-NH2 3.47Å; D313-R405 PolarHBondContact OD1-NH2 2.71Å |
| 314 | C | 91.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 175.6 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | W310 N311 Y316 Y317 W318 E352 L355 | W310-C314 HydrophobicContact CB-CB 3.96Å; W310-C314 HydrophobicContact CD2-CB 4.18Å; W310-C314 HydrophobicContact CE3-CB 3.66Å; W310-C314 HydrophobicContact CG-CB 4.31Å; N311-C314 PolarHBondContact O-N 3.06Å; N311-C314 WeakPolarHBondContact OD1-CB 3.23Å; N311-C314 PolarHBondContact OD1-N 3.13Å; N311-C314 PolarHBondContact OD1-SG 3.07Å; C314-Y316 VanDerWaalsContact C-N 3.33Å; C314-Y316 PolarHBondContact O-N 3.15Å; C314-Y317 PolarHBondContact O-N 3.24Å; C314-W318 WeakPolarHBondContact O-CB 3.38Å; C314-W318 PolarHBondContact O-N 3.46Å; C314-E352 VanDerWaalsContact SG-CG 3.6Å; C314-L355 HydrophobicContact CB-CD1 4.21Å |
| 315 | Q | 91.4 | Very high | 83.8 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 173.1 | -66.7 | 179.2 | 42.3 | 0 | 0 | 111.5 | M305 W310 N311 F312 W318 C319 D475 | M305-Q315 HydrophobicContact CE-CB 4.3Å; M305-Q315 HydrophobicContact CE-CG 3.51Å; M305-Q315 HydrophobicContact SD-CG 4.35Å; W310-Q315 HydrophobicContact CB-CG 4.38Å; W310-Q315 PolarHBondContact O-NE2 2.96Å; N311-Q315 WeakPolarHBondContact O-CG 3.26Å; N311-Q315 PolarHBondContact O-N 2.79Å; N311-Q315 VanDerWaalsContact O-N 3.13Å; F312-Q315 WeakPolarHBondContact O-CB 3.31Å; F312-Q315 PolarHBondContact O-N 3.45Å; Q315-W318 WeakPolarHBondContact O-CB 3.27Å; Q315-W318 PolarHBondContact O-N 3.5Å; Q315-C319 PolarHBondContact O-N 3.01Å; Q315-C319 PolarHBondContact O-SG 3.11Å; Q315-C319 VanDerWaalsContact O-SG 3.39Å; Q315-D475 VanDerWaalsContact OE1-N 3.11Å |
| 316 | Y | 93.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 178.1 | 177.9 | -90.2 | 0 | 0 | 0 | 111.8 | F312 D313 C314 W318 C319 A320 R405 K406 L416 T417 I473 | F312-Y316 VanDerWaalsContact O-CB 3.31Å; F312-Y316 WeakPolarHBondContact O-CB 3.29Å; F312-Y316 PolarHBondContact O-N 2.82Å; D313-Y316 WeakPolarHBondContact O-CB 3.49Å; D313-Y316 PolarHBondContact O-N 3.29Å; C314-Y316 VanDerWaalsContact C-N 3.33Å; C314-Y316 PolarHBondContact O-N 3.15Å; Y316-W318 VanDerWaalsContact C-N 3.33Å; Y316-W318 PolarHBondContact O-N 2.97Å; Y316-C319 PolarHBondContact O-N 3.11Å; Y316-A320 WeakPolarHBondContact O-CB 3.36Å; Y316-A320 PolarHBondContact O-N 3.23Å; Y316-R405 HydrophobicContact CD2-CG 4.22Å; Y316-R405 HydrophobicContact CE1-CG 4.4Å; Y316-R405 HydrophobicContact CE2-CB 3.79Å; Y316-R405 HydrophobicContact CE2-CG 3.87Å; Y316-K406 PolarHBondContact OH-N 3.34Å; Y316-K406 PolarHBondContact OH-O 3.19Å; Y316-K406 VanDerWaalsContact OH-O 3.13Å; Y316-L416 HydrophobicContact CD2-CD2 3.85Å; Y316-L416 HydrophobicContact CE2-CB 4.22Å; Y316-L416 HydrophobicContact CE2-CD2 3.78Å; Y316-L416 HydrophobicContact CE2-CG 4.08Å; Y316-L416 HydrophobicContact CG-CD2 4.43Å; Y316-T417 WeakPolarHBondContact CE1-O 3.34Å; Y316-T417 VanDerWaalsContact CZ-O 3.3Å; Y316-T417 PolarHBondContact OH-N 3.32Å; Y316-T417 PolarHBondContact OH-O 3.14Å; Y316-I473 HydrophobicContact CD2-CD1 4.22Å; Y316-I473 HydrophobicContact CD2-CG2 4.01Å; Y316-I473 HydrophobicContact CE2-CD1 4.16Å |
| 317 | Y | 93.7 | Very high | 86.5 | Confident | 20 Ų | 20 | 32.5 Ų | 32.5 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -31.7 | 179.7 | -69.8 | -60.2 | 0 | 0 | 0 | 112.9 | D313 C314 A320 L321 L355 S356 L359 | D313-Y317 WeakPolarHBondContact O-CD2 3.25Å; D313-Y317 PolarHBondContact O-N 2.91Å; C314-Y317 PolarHBondContact O-N 3.24Å; Y317-A320 WeakPolarHBondContact O-CB 3.45Å; Y317-A320 PolarHBondContact O-N 3.29Å; Y317-L321 WeakPolarHBondContact O-CG 3.07Å; Y317-L321 PolarHBondContact O-N 2.99Å; Y317-L355 HydrophobicContact CD2-CB 4.28Å; Y317-L355 HydrophobicContact CG-CB 4.15Å; Y317-S356 PolarHBondContact OH-OG 2.95Å; Y317-L359 HydrophobicContact CD1-CD2 4.13Å |
| 318 | W | 91.8 | Very high | 88.3 | Confident | 10 Ų | 10 | 25 Ų | 25 | 4% | 0.038 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.1 | -52.3 | 170.6 | 178 | -97.1 | 0 | 0 | 0 | 111.4 | H303 M305 W310 C314 Q315 Y316 A320 L321 K322 M332 F336 A337 L340 | H303-W318 HydrophobicContact CB-CZ2 4.5Å; M305-W318 HydrophobicContact CG-CD2 4.45Å; M305-W318 HydrophobicContact CG-CG 4.24Å; M305-W318 HydrophobicContact SD-CB 3.66Å; M305-W318 HydrophobicContact SD-CD2 4.05Å; M305-W318 HydrophobicContact SD-CG 3.43Å; W310-W318 HydrophobicContact CH2-CD2 4.29Å; W310-W318 AromaticContact CH2-CE3 3.8Å; W310-W318 HydrophobicContact CH2-CE3 3.8Å; W310-W318 HydrophobicContact CH2-CZ3 4.18Å; W310-W318 HydrophobicContact CZ3-CB 4.04Å; W310-W318 HydrophobicContact CZ3-CD2 4.14Å; W310-W318 AromaticContact CZ3-CE3 3.89Å; W310-W318 HydrophobicContact CZ3-CE3 3.89Å; W310-W318 HydrophobicContact CZ3-CG 4.25Å; C314-W318 WeakPolarHBondContact O-CB 3.38Å; C314-W318 PolarHBondContact O-N 3.46Å; Q315-W318 WeakPolarHBondContact O-CB 3.27Å; Q315-W318 PolarHBondContact O-N 3.5Å; Y316-W318 VanDerWaalsContact C-N 3.33Å; Y316-W318 PolarHBondContact O-N 2.97Å; W318-A320 PolarHBondContact O-N 2.93Å; W318-L321 PolarHBondContact O-N 2.57Å; W318-K322 WeakPolarHBondContact O-CB 3.31Å; W318-K322 PolarHBondContact O-N 2.93Å; W318-M332 HydrophobicContact CD2-CE 3.27Å; W318-M332 VanDerWaalsContact CE2-CE 3.41Å; W318-M332 HydrophobicContact CE3-CE 3.35Å; W318-M332 HydrophobicContact CG-CE 3.92Å; W318-M332 HydrophobicContact CH2-CB 3.78Å; W318-M332 HydrophobicContact CH2-CE 3.72Å; W318-M332 HydrophobicContact CH2-CG 4.4Å; W318-M332 HydrophobicContact CZ2-CB 4.17Å; W318-M332 HydrophobicContact CZ2-CE 3.65Å; W318-M332 HydrophobicContact CZ3-CB 4.33Å; W318-M332 HydrophobicContact CZ3-CE 3.56Å; W318-M332 HydrophobicContact CZ3-CG 4.49Å; W318-M332 WeakPolarHBondContact O-CE 3.16Å; W318-F336 HydrophobicContact CH2-CD1 4.41Å; W318-F336 AromaticContact CZ3-CD1 3.84Å; W318-F336 HydrophobicContact CZ3-CD1 3.84Å; W318-F336 HydrophobicContact CZ3-CE1 4.02Å; W318-A337 HydrophobicContact CH2-CB 4.18Å; W318-L340 HydrophobicContact CE3-CD1 3.72Å; W318-L340 HydrophobicContact CZ3-CD1 3.52Å |
| 319 | C | 92.7 | Very high | 89.8 | Confident | 40 Ų | 40 | 20.9 Ų | 20.9 | 27% | 0.27 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -57.9 | -36.9 | 173.9 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | Q315 Y316 K322 S323 L416 I473 | Q315-C319 PolarHBondContact O-N 3.01Å; Q315-C319 PolarHBondContact O-SG 3.11Å; Q315-C319 VanDerWaalsContact O-SG 3.39Å; Y316-C319 PolarHBondContact O-N 3.11Å; C319-K322 PolarHBondContact O-N 2.92Å; C319-S323 WeakPolarHBondContact O-CB 3.42Å; C319-S323 PolarHBondContact O-N 3.29Å; C319-L416 HydrophobicContact CB-CD2 3.64Å; C319-I473 HydrophobicContact CB-CG2 4.2Å |
| 320 | A | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y316 Y317 W318 S323 R324 L359 L416 | Y316-A320 WeakPolarHBondContact O-CB 3.36Å; Y316-A320 PolarHBondContact O-N 3.23Å; Y317-A320 WeakPolarHBondContact O-CB 3.45Å; Y317-A320 PolarHBondContact O-N 3.29Å; W318-A320 PolarHBondContact O-N 2.93Å; A320-S323 PolarHBondContact O-N 3.45Å; A320-S323 PolarHBondContact O-OG 3.35Å; A320-R324 PolarHBondContact O-NH1 3.04Å; A320-R324 VanDerWaalsContact O-NH1 3.15Å; A320-L359 HydrophobicContact CB-CD1 4.01Å; A320-L359 HydrophobicContact CB-CD2 3.64Å; A320-L359 HydrophobicContact CB-CG 4.48Å; A320-L416 HydrophobicContact CB-CB 3.61Å; A320-L416 HydrophobicContact CB-CD2 4.47Å |
| 321 | L | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 173.7 | -72.1 | 167.3 | 0 | 0 | 0 | 111.1 | Y317 W318 S323 R324 V328 M332 L355 L358 L359 V362 | Y317-L321 WeakPolarHBondContact O-CG 3.07Å; Y317-L321 PolarHBondContact O-N 2.99Å; W318-L321 PolarHBondContact O-N 2.57Å; L321-S323 PolarHBondContact O-N 3.39Å; L321-R324 WeakPolarHBondContact O-CB 3.38Å; L321-R324 PolarHBondContact O-N 3Å; L321-R324 VanDerWaalsContact O-N 3.14Å; L321-V328 HydrophobicContact CB-CG1 4.1Å; L321-V328 HydrophobicContact CD2-CG1 4.35Å; L321-V328 VanDerWaalsContact O-CG1 3.27Å; L321-V328 WeakPolarHBondContact O-CG1 3.48Å; L321-M332 HydrophobicContact CB-CE 4.12Å; L321-M332 HydrophobicContact CB-SD 4.01Å; L321-L355 HydrophobicContact CD1-CD2 3.78Å; L321-L358 HydrophobicContact CD1-CD2 3.96Å; L321-L358 HydrophobicContact CD2-CD2 4.36Å; L321-L358 HydrophobicContact CD2-CG 4.36Å; L321-L359 HydrophobicContact CD2-CB 4.29Å; L321-L359 HydrophobicContact CD2-CD1 4.05Å; L321-L359 HydrophobicContact CG-CD1 4.4Å; L321-V362 HydrophobicContact CD2-CG2 4.18Å |
| 322 | K | 90.7 | Very high | 91.3 | Very high | 93 Ų | 93 | 18.2 Ų | 18.2 | 40% | 0.404 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -59 | -30.8 | 178.9 | -167.4 | 173.3 | -177.9 | 175.1 | 0 | 112.4 | W318 C319 R324 M332 | W318-K322 WeakPolarHBondContact O-CB 3.31Å; W318-K322 PolarHBondContact O-N 2.93Å; C319-K322 PolarHBondContact O-N 2.92Å; K322-R324 PolarHBondContact O-N 3.32Å; K322-M332 HydrophobicContact CB-CE 4Å; K322-M332 HydrophobicContact CB-SD 4.01Å |
| 323 | S | 91.4 | Very high | 91.2 | Very high | 23 Ų | 23 | 20 Ų | 20 | 16% | 0.161 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -4.6 | 179.8 | 74.1 | 0 | 0 | 0 | 0 | 116.1 | C319 A320 L321 T414 L415 | C319-S323 WeakPolarHBondContact O-CB 3.42Å; C319-S323 PolarHBondContact O-N 3.29Å; A320-S323 PolarHBondContact O-N 3.45Å; A320-S323 PolarHBondContact O-OG 3.35Å; L321-S323 PolarHBondContact O-N 3.39Å; S323-T414 WeakPolarHBondContact CB-O 3.26Å; S323-L415 VanDerWaalsContact O-CD2 3.29Å; S323-L415 WeakPolarHBondContact O-CD2 3.38Å |
| 324 | R | 90.5 | Very high | 90.9 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 4% | 0.038 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -83.7 | -129.3 | -176.3 | -63.3 | -61.1 | -170.8 | -87.3 | 2.8 | 111.7 | A320 L321 K322 V328 L359 V362 D363 L416 | A320-R324 PolarHBondContact O-NH1 3.04Å; A320-R324 VanDerWaalsContact O-NH1 3.15Å; L321-R324 WeakPolarHBondContact O-CB 3.38Å; L321-R324 PolarHBondContact O-N 3Å; L321-R324 VanDerWaalsContact O-N 3.14Å; K322-R324 PolarHBondContact O-N 3.32Å; R324-V328 HydrophobicContact CB-CB 4.37Å; R324-V328 HydrophobicContact CB-CG2 4.12Å; R324-L359 HydrophobicContact CG-CD1 4.48Å; R324-V362 HydrophobicContact CB-CG1 4.01Å; R324-V362 HydrophobicContact CG-CG1 3.79Å; R324-D363 IonicContact CZ-OD1 3.44Å; R324-D363 IonicContact CZ-OD2 3.43Å; R324-D363 IonicContact NE-OD1 2.64Å; R324-D363 PolarHBondContact NE-OD1 3.29Å; R324-D363 VanDerWaalsContact NH2-CG 3.32Å; R324-D363 IonicContact NH2-OD1 3.09Å; R324-D363 PolarHBondContact NH2-OD1 2.93Å; R324-D363 IonicContact NH2-OD2 3.74Å; R324-D363 PolarHBondContact NH2-OD2 3.05Å; R324-L416 PolarHBondContact NH1-O 2.86Å; R324-L416 PolarHBondContact NH2-O 2.87Å |
| 325 | S | 89.8 | Confident | 90.7 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 16% | 0.161 | 15% | 0.151 | C | C | . | . | trans | -89.9 | 160.7 | 178 | 50.5 | 0 | 0 | 0 | 0 | 111.1 | S253 S327 V328 A329 | S253-S325 WeakPolarHBondContact O-CA 3.41Å; S325-S327 PolarHBondContact O-N 3.34Å; S325-S327 VanDerWaalsContact O-N 3.16Å; S325-S327 PolarHBondContact OG-OG 3.46Å; S325-V328 WeakPolarHBondContact O-CB 3.47Å; S325-V328 PolarHBondContact O-N 2.78Å; S325-A329 PolarHBondContact O-N 2.81Å; S325-A329 VanDerWaalsContact O-N 3.17Å | ||
| 326 | L | 91 | Very high | 90.7 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.6 | -27.6 | 171.7 | -69.2 | 177.8 | 0 | 0 | 0 | 112.7 | Y139 V149 S253 L300 V328 A329 S330 | Y139-L326 HydrophobicContact CD1-CB 3.34Å; Y139-L326 HydrophobicContact CD1-CD1 4.12Å; Y139-L326 HydrophobicContact CD1-CG 4.36Å; Y139-L326 HydrophobicContact CE1-CB 3.65Å; Y139-L326 HydrophobicContact CE1-CD1 4.39Å; Y139-L326 HydrophobicContact CG-CB 3.87Å; V149-L326 HydrophobicContact CB-CD1 4.31Å; V149-L326 HydrophobicContact CG1-CD1 3.92Å; V149-L326 HydrophobicContact CG2-CD1 3.74Å; S253-L326 PolarHBondContact O-N 3.37Å; L300-L326 HydrophobicContact CD1-CD2 3.68Å; L300-L326 HydrophobicContact CD2-CD2 4.19Å; L326-V328 PolarHBondContact O-N 3.12Å; L326-A329 PolarHBondContact O-N 3.02Å; L326-S330 WeakPolarHBondContact O-CB 3.45Å; L326-S330 PolarHBondContact O-N 2.93Å; L326-S330 PolarHBondContact O-OG 2.99Å |
| 327 | S | 88.9 | Confident | 90.5 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 15% | 0.154 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.4 | -26.9 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 114 | F140 S325 S330 Q331 | F140-S327 VanDerWaalsContact O-CB 3.23Å; F140-S327 WeakPolarHBondContact O-CB 3.44Å; S325-S327 PolarHBondContact O-N 3.34Å; S325-S327 VanDerWaalsContact O-N 3.16Å; S325-S327 PolarHBondContact OG-OG 3.46Å; S327-S330 PolarHBondContact O-OG 3.36Å; S327-Q331 WeakPolarHBondContact O-CG 3.26Å; S327-Q331 PolarHBondContact O-NE2 3.01Å |
| 328 | V | 91 | Very high | 90.2 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -83.1 | -51.1 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | L321 R324 S325 L326 S330 Q331 M332 V362 L370 | L321-V328 HydrophobicContact CB-CG1 4.1Å; L321-V328 HydrophobicContact CD2-CG1 4.35Å; L321-V328 VanDerWaalsContact O-CG1 3.27Å; L321-V328 WeakPolarHBondContact O-CG1 3.48Å; R324-V328 HydrophobicContact CB-CB 4.37Å; R324-V328 HydrophobicContact CB-CG2 4.12Å; S325-V328 WeakPolarHBondContact O-CB 3.47Å; S325-V328 PolarHBondContact O-N 2.78Å; L326-V328 PolarHBondContact O-N 3.12Å; V328-S330 VanDerWaalsContact C-N 3.28Å; V328-S330 PolarHBondContact O-N 3.37Å; V328-Q331 WeakPolarHBondContact O-CB 3.49Å; V328-Q331 PolarHBondContact O-N 3.17Å; V328-M332 HydrophobicContact CG1-SD 4.32Å; V328-M332 WeakPolarHBondContact O-CG 3.32Å; V328-V362 HydrophobicContact CG2-CG1 3.81Å; V328-V362 HydrophobicContact CG2-CG2 4.25Å; V328-L370 HydrophobicContact CG1-CD1 3.8Å; V328-L370 HydrophobicContact CG1-CD2 4.39Å |
| 329 | A | 90.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -35.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | S325 L326 Q331 M332 | S325-A329 PolarHBondContact O-N 2.81Å; S325-A329 VanDerWaalsContact O-N 3.17Å; L326-A329 PolarHBondContact O-N 3.02Å; A329-Q331 PolarHBondContact O-N 2.68Å; A329-M332 PolarHBondContact O-N 3.23Å; A329-M332 VanDerWaalsContact O-N 3.15Å |
| 330 | S | 89.4 | Confident | 90.1 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 15% | 0.154 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.1 | 177.8 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | Y139 P301 L326 S327 V328 | Y139-S330 WeakPolarHBondContact CE2-OG 3.39Å; Y139-S330 VanDerWaalsContact OH-CB 3.23Å; Y139-S330 WeakPolarHBondContact OH-CB 3.45Å; P301-S330 WeakPolarHBondContact CG-O 3.45Å; L326-S330 WeakPolarHBondContact O-CB 3.45Å; L326-S330 PolarHBondContact O-N 2.93Å; L326-S330 PolarHBondContact O-OG 2.99Å; S327-S330 PolarHBondContact O-OG 3.36Å; V328-S330 VanDerWaalsContact C-N 3.28Å; V328-S330 PolarHBondContact O-N 3.37Å |
| 331 | Q | 89.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7.9 | 177.3 | -64.2 | -178.7 | 64 | 0 | 0 | 112.7 | L141 S327 V328 A329 D333 I368 F369 L370 | L141-Q331 HydrophobicContact CD1-CG 3.51Å; S327-Q331 WeakPolarHBondContact O-CG 3.26Å; S327-Q331 PolarHBondContact O-NE2 3.01Å; V328-Q331 WeakPolarHBondContact O-CB 3.49Å; V328-Q331 PolarHBondContact O-N 3.17Å; A329-Q331 PolarHBondContact O-N 2.68Å; Q331-D333 PolarHBondContact O-N 2.95Å; Q331-D333 VanDerWaalsContact O-N 3.1Å; Q331-I368 PolarHBondContact NE2-O 3.27Å; Q331-F369 HydrophobicContact CG-CE2 4.49Å; Q331-F369 VanDerWaalsContact OE1-CA 3.23Å; Q331-L370 HydrophobicContact CB-CB 4.34Å; Q331-L370 HydrophobicContact CB-CD1 3.83Å; Q331-L370 HydrophobicContact CB-CG 4.03Å |
| 332 | M | 90.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | trans | -88.6 | 55.6 | -178.2 | -62.8 | 175.1 | 71.4 | 0 | 0 | 110.7 | P301 W318 L321 K322 V328 A329 F336 L370 | P301-M332 WeakPolarHBondContact CB-O 3.37Å; W318-M332 HydrophobicContact CD2-CE 3.27Å; W318-M332 VanDerWaalsContact CE2-CE 3.41Å; W318-M332 HydrophobicContact CE3-CE 3.35Å; W318-M332 HydrophobicContact CG-CE 3.92Å; W318-M332 HydrophobicContact CH2-CB 3.78Å; W318-M332 HydrophobicContact CH2-CE 3.72Å; W318-M332 HydrophobicContact CH2-CG 4.4Å; W318-M332 HydrophobicContact CZ2-CB 4.17Å; W318-M332 HydrophobicContact CZ2-CE 3.65Å; W318-M332 HydrophobicContact CZ3-CB 4.33Å; W318-M332 HydrophobicContact CZ3-CE 3.56Å; W318-M332 HydrophobicContact CZ3-CG 4.49Å; W318-M332 WeakPolarHBondContact O-CE 3.16Å; L321-M332 HydrophobicContact CB-CE 4.12Å; L321-M332 HydrophobicContact CB-SD 4.01Å; K322-M332 HydrophobicContact CB-CE 4Å; K322-M332 HydrophobicContact CB-SD 4.01Å; V328-M332 HydrophobicContact CG1-SD 4.32Å; V328-M332 WeakPolarHBondContact O-CG 3.32Å; A329-M332 PolarHBondContact O-N 3.23Å; A329-M332 VanDerWaalsContact O-N 3.15Å; M332-F336 HydrophobicContact CB-CD1 4.49Å; M332-F336 HydrophobicContact CG-CD1 4.25Å; M332-F336 HydrophobicContact CG-CE1 4.4Å; M332-L370 HydrophobicContact CG-CD1 3.84Å | ||
| 333 | D | 87.8 | Confident | 89.8 | Confident | 50 Ų | 50 | 31.7 Ų | 31.7 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | trans | -82.6 | 179.9 | 178.8 | 74 | -6.5 | 0 | 0 | 0 | 112.9 | P301 Q331 N335 F336 A337 | P301-D333 HydrophobicContact CB-CB 4.13Å; P301-D333 HydrophobicContact CG-CB 4.12Å; Q331-D333 PolarHBondContact O-N 2.95Å; Q331-D333 VanDerWaalsContact O-N 3.1Å; D333-N335 VanDerWaalsContact C-N 3.25Å; D333-N335 PolarHBondContact O-N 2.9Å; D333-N335 WeakPolarHBondContact OD1-CB 3.5Å; D333-N335 PolarHBondContact OD1-N 2.99Å; D333-N335 PolarHBondContact OD2-ND2 3.41Å; D333-F336 PolarHBondContact O-N 3.02Å; D333-F336 PolarHBondContact OD1-N 3.16Å; D333-A337 PolarHBondContact O-N 3.43Å | ||
| 334 | S | 86.4 | Confident | 89.8 | Confident | 67 Ų | 67 | 31.4 Ų | 31.4 | 47% | 0.469 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.4 | -36.2 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | A337 D338 | S334-A337 PolarHBondContact O-N 3Å; S334-D338 WeakPolarHBondContact O-CB 3.28Å; S334-D338 PolarHBondContact O-N 3.2Å |
| 335 | N | 87.7 | Confident | 89.8 | Confident | 107 Ų | 107 | 38.6 Ų | 38.6 | 57% | 0.572 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.9 | -42.6 | 179.7 | -58.2 | -53.3 | 0 | 0 | 0 | 111.6 | D333 A337 D338 Q339 | D333-N335 VanDerWaalsContact C-N 3.25Å; D333-N335 PolarHBondContact O-N 2.9Å; D333-N335 WeakPolarHBondContact OD1-CB 3.5Å; D333-N335 PolarHBondContact OD1-N 2.99Å; D333-N335 PolarHBondContact OD2-ND2 3.41Å; N335-A337 VanDerWaalsContact C-N 3.34Å; N335-D338 PolarHBondContact O-N 3.45Å; N335-Q339 WeakPolarHBondContact O-CB 3.44Å; N335-Q339 PolarHBondContact O-N 3.43Å |
| 336 | F | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -38.8 | 176.1 | -176 | -124.3 | 0 | 0 | 0 | 111.7 | W318 M332 D333 Q339 L340 L358 L370 P371 F374 | W318-F336 HydrophobicContact CH2-CD1 4.41Å; W318-F336 AromaticContact CZ3-CD1 3.84Å; W318-F336 HydrophobicContact CZ3-CD1 3.84Å; W318-F336 HydrophobicContact CZ3-CE1 4.02Å; M332-F336 HydrophobicContact CB-CD1 4.49Å; M332-F336 HydrophobicContact CG-CD1 4.25Å; M332-F336 HydrophobicContact CG-CE1 4.4Å; D333-F336 PolarHBondContact O-N 3.02Å; D333-F336 PolarHBondContact OD1-N 3.16Å; F336-Q339 WeakPolarHBondContact O-CB 3.5Å; F336-Q339 PolarHBondContact O-N 3.04Å; F336-L340 HydrophobicContact CD1-CD1 3.9Å; F336-L340 HydrophobicContact CE1-CD1 3.55Å; F336-L340 HydrophobicContact CE1-CG 4.42Å; F336-L340 HydrophobicContact CE2-CD1 4.27Å; F336-L340 HydrophobicContact CE2-CG 4.29Å; F336-L340 HydrophobicContact CG-CD1 4.42Å; F336-L340 HydrophobicContact CZ-CD1 3.76Å; F336-L340 HydrophobicContact CZ-CD2 4.47Å; F336-L340 HydrophobicContact CZ-CG 4.18Å; F336-L340 WeakPolarHBondContact O-CG 3.28Å; F336-L340 PolarHBondContact O-N 3.41Å; F336-L358 HydrophobicContact CZ-CD2 4.17Å; F336-L370 HydrophobicContact CD2-CB 4.5Å; F336-L370 HydrophobicContact CE1-CB 4.15Å; F336-L370 HydrophobicContact CE1-CD1 4.16Å; F336-L370 HydrophobicContact CE2-CB 4.04Å; F336-L370 HydrophobicContact CZ-CB 3.84Å; F336-P371 HydrophobicContact CB-CG 4.26Å; F336-P371 HydrophobicContact CD2-CB 4.08Å; F336-P371 HydrophobicContact CD2-CG 3.85Å; F336-P371 HydrophobicContact CG-CG 4.3Å; F336-F374 HydrophobicContact CE2-CB 3.68Å; F336-F374 HydrophobicContact CE2-CD1 4.25Å; F336-F374 HydrophobicContact CE2-CG 4.01Å; F336-F374 HydrophobicContact CZ-CB 4.18Å; F336-F374 HydrophobicContact CZ-CG 4.41Å |
| 337 | A | 88.7 | Confident | 89.7 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H303 W318 D333 S334 N335 Q339 L340 L341 | H303-A337 WeakPolarHBondContact CD2-CB 3.48Å; H303-A337 VanDerWaalsContact NE2-CB 3.3Å; H303-A337 WeakPolarHBondContact NE2-CB 3.4Å; W318-A337 HydrophobicContact CH2-CB 4.18Å; D333-A337 PolarHBondContact O-N 3.43Å; S334-A337 PolarHBondContact O-N 3Å; N335-A337 VanDerWaalsContact C-N 3.34Å; A337-Q339 VanDerWaalsContact C-N 3.3Å; A337-Q339 PolarHBondContact O-N 3.19Å; A337-L340 WeakPolarHBondContact O-CB 3.28Å; A337-L340 PolarHBondContact O-N 3.32Å; A337-L340 VanDerWaalsContact O-N 3.16Å; A337-L341 WeakPolarHBondContact O-CG 3.46Å; A337-L341 PolarHBondContact O-N 2.93Å |
| 338 | D | 88.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 50 Ų | 50 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 175 | -71.6 | -25.4 | 0 | 0 | 0 | 111.5 | S334 N335 L341 T342 | S334-D338 WeakPolarHBondContact O-CB 3.28Å; S334-D338 PolarHBondContact O-N 3.2Å; N335-D338 PolarHBondContact O-N 3.45Å; D338-L341 PolarHBondContact O-N 3.47Å; D338-T342 WeakPolarHBondContact O-CB 3.12Å; D338-T342 PolarHBondContact O-N 2.64Å; D338-T342 PolarHBondContact O-OG1 3.3Å |
| 339 | Q | 91 | Very high | 89.6 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 173.7 | -176.9 | -173.9 | 1.6 | 0 | 0 | 111.6 | N335 F336 A337 A343 P371 F374 K375 | N335-Q339 WeakPolarHBondContact O-CB 3.44Å; N335-Q339 PolarHBondContact O-N 3.43Å; F336-Q339 WeakPolarHBondContact O-CB 3.5Å; F336-Q339 PolarHBondContact O-N 3.04Å; A337-Q339 VanDerWaalsContact C-N 3.3Å; A337-Q339 PolarHBondContact O-N 3.19Å; Q339-A343 WeakPolarHBondContact O-CB 3.34Å; Q339-A343 PolarHBondContact O-N 3.09Å; Q339-P371 PolarHBondContact NE2-O 3.49Å; Q339-P371 PolarHBondContact OE1-O 3.47Å; Q339-F374 HydrophobicContact CG-CD1 4.24Å; Q339-F374 HydrophobicContact CG-CE1 4.44Å; Q339-K375 VanDerWaalsContact NE2-CB 3.32Å |
| 340 | L | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176 | -78.2 | 166.4 | 0 | 0 | 0 | 112.1 | W310 W318 F336 A337 A343 F344 T351 L355 F374 | W310-L340 HydrophobicContact CH2-CB 3.71Å; W310-L340 HydrophobicContact CH2-CD1 3.68Å; W310-L340 HydrophobicContact CH2-CG 4.3Å; W310-L340 HydrophobicContact CZ2-CB 3.65Å; W310-L340 HydrophobicContact CZ2-CD1 4.45Å; W310-L340 HydrophobicContact CZ3-CD1 4.29Å; W318-L340 HydrophobicContact CE3-CD1 3.72Å; W318-L340 HydrophobicContact CZ3-CD1 3.52Å; F336-L340 HydrophobicContact CD1-CD1 3.9Å; F336-L340 HydrophobicContact CE1-CD1 3.55Å; F336-L340 HydrophobicContact CE1-CG 4.42Å; F336-L340 HydrophobicContact CE2-CD1 4.27Å; F336-L340 HydrophobicContact CE2-CG 4.29Å; F336-L340 HydrophobicContact CG-CD1 4.42Å; F336-L340 HydrophobicContact CZ-CD1 3.76Å; F336-L340 HydrophobicContact CZ-CD2 4.47Å; F336-L340 HydrophobicContact CZ-CG 4.18Å; F336-L340 WeakPolarHBondContact O-CG 3.28Å; F336-L340 PolarHBondContact O-N 3.41Å; A337-L340 WeakPolarHBondContact O-CB 3.28Å; A337-L340 PolarHBondContact O-N 3.32Å; A337-L340 VanDerWaalsContact O-N 3.16Å; L340-A343 PolarHBondContact O-N 2.9Å; L340-F344 VanDerWaalsContact O-CB 3.24Å; L340-F344 WeakPolarHBondContact O-CB 3.47Å; L340-F344 PolarHBondContact O-N 2.97Å; L340-T351 HydrophobicContact CD2-CG2 4.25Å; L340-L355 HydrophobicContact CD1-CD2 4.38Å; L340-L355 HydrophobicContact CD2-CD1 4.24Å; L340-L355 HydrophobicContact CD2-CD2 3.69Å; L340-L355 HydrophobicContact CD2-CG 4.06Å; L340-F374 HydrophobicContact CD2-CD1 3.98Å; L340-F374 HydrophobicContact CD2-CD2 3.75Å; L340-F374 HydrophobicContact CD2-CE1 3.58Å; L340-F374 HydrophobicContact CD2-CE2 3.31Å; L340-F374 HydrophobicContact CD2-CG 4.09Å; L340-F374 HydrophobicContact CD2-CZ 3.25Å; L340-F374 HydrophobicContact CG-CD1 4.46Å; L340-F374 HydrophobicContact CG-CE1 4.22Å; L340-F374 HydrophobicContact CG-CZ 4.33Å |
| 341 | L | 89.5 | Confident | 89.6 | Confident | 44 Ų | 44 | 51 Ų | 51 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -49.8 | 174.7 | -80.6 | 160.3 | 0 | 0 | 0 | 111.1 | W310 A337 D338 A343 F344 E345 | W310-L341 HydrophobicContact CZ2-CG 4.1Å; A337-L341 WeakPolarHBondContact O-CG 3.46Å; A337-L341 PolarHBondContact O-N 2.93Å; D338-L341 PolarHBondContact O-N 3.47Å; L341-A343 VanDerWaalsContact C-N 3.31Å; L341-A343 PolarHBondContact O-N 3Å; L341-F344 WeakPolarHBondContact O-CB 3.46Å; L341-F344 PolarHBondContact O-N 3.46Å; L341-F344 VanDerWaalsContact O-N 3.17Å; L341-E345 WeakPolarHBondContact O-CG 3.4Å; L341-E345 PolarHBondContact O-N 3.11Å |
| 342 | T | 91.3 | Very high | 89.7 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 58% | 0.577 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | 177.9 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | D338 R346 | D338-T342 WeakPolarHBondContact O-CB 3.12Å; D338-T342 PolarHBondContact O-N 2.64Å; D338-T342 PolarHBondContact O-OG1 3.3Å; T342-R346 WeakPolarHBondContact O-CB 3.45Å; T342-R346 PolarHBondContact O-N 3.02Å |
| 343 | A | 91.1 | Very high | 89.4 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q339 L340 L341 R346 N347 T351 F374 F378 | Q339-A343 WeakPolarHBondContact O-CB 3.34Å; Q339-A343 PolarHBondContact O-N 3.09Å; L340-A343 PolarHBondContact O-N 2.9Å; L341-A343 VanDerWaalsContact C-N 3.31Å; L341-A343 PolarHBondContact O-N 3Å; A343-R346 PolarHBondContact O-N 3.43Å; A343-N347 CarbonylContact O-C 3.55Å; A343-N347 PolarHBondContact O-N 3Å; A343-T351 PolarHBondContact O-OG1 3.4Å; A343-F374 HydrophobicContact CB-CE1 3.65Å; A343-F374 HydrophobicContact CB-CZ 3.69Å; A343-F378 HydrophobicContact CB-CD1 4.15Å; A343-F378 HydrophobicContact CB-CD2 3.7Å; A343-F378 HydrophobicContact CB-CE1 4.06Å; A343-F378 HydrophobicContact CB-CE2 3.6Å; A343-F378 HydrophobicContact CB-CG 3.97Å; A343-F378 HydrophobicContact CB-CZ 3.78Å; A343-F378 VanDerWaalsContact O-CE2 3.29Å; A343-F378 WeakPolarHBondContact O-CE2 3.24Å; A343-F378 WeakPolarHBondContact O-CZ 3.4Å |
| 344 | F | 90.7 | Very high | 89.5 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 178.4 | 180 | -97.7 | 0 | 0 | 0 | 111.7 | S309 W310 N311 L340 L341 R346 N347 Q348 T351 | S309-F344 WeakPolarHBondContact O-CE1 3.46Å; W310-F344 HydrophobicContact CB-CE2 4.39Å; W310-F344 HydrophobicContact CB-CZ 4.41Å; W310-F344 AromaticContact CD1-CD1 3.95Å; N311-F344 HydrophobicContact CB-CE2 4.24Å; N311-F344 HydrophobicContact CB-CZ 4.23Å; L340-F344 VanDerWaalsContact O-CB 3.24Å; L340-F344 WeakPolarHBondContact O-CB 3.47Å; L340-F344 PolarHBondContact O-N 2.97Å; L341-F344 WeakPolarHBondContact O-CB 3.46Å; L341-F344 PolarHBondContact O-N 3.46Å; L341-F344 VanDerWaalsContact O-N 3.17Å; F344-R346 VanDerWaalsContact C-N 3.25Å; F344-R346 PolarHBondContact O-N 3.5Å; F344-N347 CarbonylContact O-C 3.52Å; F344-N347 PolarHBondContact O-N 2.83Å; F344-Q348 HydrophobicContact CD1-CG 4.34Å; F344-Q348 HydrophobicContact CD2-CB 4.03Å; F344-Q348 HydrophobicContact CD2-CG 3.84Å; F344-Q348 HydrophobicContact CE1-CG 4.02Å; F344-Q348 HydrophobicContact CE2-CB 3.73Å; F344-Q348 HydrophobicContact CE2-CG 3.48Å; F344-Q348 VanDerWaalsContact CE2-CG 3.48Å; F344-Q348 HydrophobicContact CG-CG 4.25Å; F344-Q348 HydrophobicContact CZ-CB 4.3Å; F344-Q348 HydrophobicContact CZ-CG 3.58Å; F344-Q348 WeakPolarHBondContact O-CG 3.31Å; F344-Q348 PolarHBondContact O-N 2.8Å; F344-T351 WeakPolarHBondContact CA-OG1 3.48Å; F344-T351 HydrophobicContact CB-CG2 4.33Å; F344-T351 PolarHBondContact N-OG1 2.88Å |
| 345 | E | 90.2 | Very high | 89.8 | Confident | 160 Ų | 160 | 47.2 Ų | 47.2 | 75% | 0.748 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.3 | -37 | 174.4 | -73.4 | 179.9 | 174.8 | 0 | 0 | 112.1 | L341 | L341-E345 WeakPolarHBondContact O-CG 3.4Å; L341-E345 PolarHBondContact O-N 3.11Å |
| 346 | R | 90.6 | Very high | 89.8 | Confident | 156 Ų | 156 | 43.2 Ų | 43.2 | 59% | 0.589 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -72.7 | -49.7 | 176.7 | 178.4 | 174.7 | 170.1 | -175.9 | 1.1 | 112.5 | T342 A343 F344 F378 D382 | T342-R346 WeakPolarHBondContact O-CB 3.45Å; T342-R346 PolarHBondContact O-N 3.02Å; A343-R346 PolarHBondContact O-N 3.43Å; F344-R346 VanDerWaalsContact C-N 3.25Å; F344-R346 PolarHBondContact O-N 3.5Å; R346-F378 HydrophobicContact CB-CZ 4.18Å; R346-F378 HydrophobicContact CG-CZ 4.15Å; R346-D382 IonicContact CZ-OD2 2.72Å; R346-D382 IonicContact NE-OD2 2.69Å; R346-D382 PolarHBondContact NE-OD2 2.69Å; R346-D382 IonicContact NH2-OD2 2.71Å; R346-D382 PolarHBondContact NH2-OD2 3.5Å |
| 347 | N | 90 | Very high | 89.4 | Confident | 42 Ų | 42 | 45 Ų | 45 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | trans | -157.5 | 99.4 | -177.2 | -170.9 | -23.5 | 0 | 0 | 0 | 111.4 | A343 F344 K349 A350 T351 F378 D382 | A343-N347 CarbonylContact O-C 3.55Å; A343-N347 PolarHBondContact O-N 3Å; F344-N347 CarbonylContact O-C 3.52Å; F344-N347 PolarHBondContact O-N 2.83Å; N347-K349 VanDerWaalsContact C-N 3.34Å; N347-K349 PolarHBondContact O-N 3.24Å; N347-K349 PolarHBondContact OD1-N 3.37Å; N347-A350 HydrophobicContact CB-CB 3.89Å; N347-A350 VanDerWaalsContact CG-CB 3.43Å; N347-A350 PolarHBondContact O-N 3.33Å; N347-A350 PolarHBondContact OD1-N 3.04Å; N347-T351 PolarHBondContact O-N 3.37Å; N347-T351 VanDerWaalsContact O-N 3.07Å; N347-T351 PolarHBondContact O-OG1 3Å; N347-F378 HydrophobicContact CB-CE2 4.16Å; N347-F378 HydrophobicContact CB-CZ 4.21Å; N347-D382 WeakPolarHBondContact CB-OD1 3.05Å; N347-D382 PolarHBondContact ND2-OD1 3.3Å | ||
| 348 | Q | 89.7 | Confident | 89.4 | Confident | 98 Ų | 98 | 45 Ų | 45 | 46% | 0.458 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.6 | -43.6 | -179 | -59.2 | -172.5 | 8.1 | 0 | 0 | 112.2 | F344 T351 E352 | F344-Q348 HydrophobicContact CD1-CG 4.34Å; F344-Q348 HydrophobicContact CD2-CB 4.03Å; F344-Q348 HydrophobicContact CD2-CG 3.84Å; F344-Q348 HydrophobicContact CE1-CG 4.02Å; F344-Q348 HydrophobicContact CE2-CB 3.73Å; F344-Q348 HydrophobicContact CE2-CG 3.48Å; F344-Q348 VanDerWaalsContact CE2-CG 3.48Å; F344-Q348 HydrophobicContact CG-CG 4.25Å; F344-Q348 HydrophobicContact CZ-CB 4.3Å; F344-Q348 HydrophobicContact CZ-CG 3.58Å; F344-Q348 WeakPolarHBondContact O-CG 3.31Å; F344-Q348 PolarHBondContact O-N 2.8Å; Q348-T351 WeakPolarHBondContact O-CB 3.22Å; Q348-T351 PolarHBondContact O-N 3.26Å; Q348-E352 WeakPolarHBondContact O-CG 3.4Å; Q348-E352 PolarHBondContact O-N 3.4Å |
| 349 | K | 86.8 | Confident | 89.4 | Confident | 64 Ų | 64 | 40.9 Ų | 40.9 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.9 | -41.9 | -177.2 | -72.9 | -69.2 | 169.1 | -158.6 | 0 | 112.7 | N347 T351 E352 H353 L386 E390 | N347-K349 VanDerWaalsContact C-N 3.34Å; N347-K349 PolarHBondContact O-N 3.24Å; N347-K349 PolarHBondContact OD1-N 3.37Å; K349-T351 PolarHBondContact O-N 3.07Å; K349-E352 WeakPolarHBondContact CD-OE2 3.22Å; K349-E352 VanDerWaalsContact NZ-CD 3.31Å; K349-E352 IonicContact NZ-OE1 3.77Å; K349-E352 PolarHBondContact NZ-OE1 2.96Å; K349-E352 VanDerWaalsContact NZ-OE1 3.1Å; K349-E352 IonicContact NZ-OE2 2.83Å; K349-E352 PolarHBondContact NZ-OE2 2.99Å; K349-E352 PolarHBondContact O-N 3.38Å; K349-H353 PolarHBondContact O-CD2 3.4Å; K349-H353 PolarHBondContact O-N 3.04Å; K349-L386 HydrophobicContact CB-CD1 4.21Å; K349-E390 IonicContact NZ-OE1 2.59Å |
| 350 | A | 88.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -36.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N347 A354 F378 D382 L386 | N347-A350 HydrophobicContact CB-CB 3.89Å; N347-A350 VanDerWaalsContact CG-CB 3.43Å; N347-A350 PolarHBondContact O-N 3.33Å; N347-A350 PolarHBondContact OD1-N 3.04Å; A350-A354 WeakPolarHBondContact O-CB 3.24Å; A350-A354 PolarHBondContact O-N 3.18Å; A350-F378 HydrophobicContact CB-CD2 3.97Å; A350-F378 HydrophobicContact CB-CE2 3.8Å; A350-D382 HydrophobicContact CB-CB 4.21Å; A350-L386 VanDerWaalsContact CA-CD1 3.45Å; A350-L386 HydrophobicContact CB-CD1 3.77Å |
| 351 | T | 92 | Very high | 88.4 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.1 | -48.7 | 174.6 | -58.2 | 0 | 0 | 0 | 0 | 112 | L340 A343 F344 N347 Q348 K349 H353 A354 L355 F374 F378 | L340-T351 HydrophobicContact CD2-CG2 4.25Å; A343-T351 PolarHBondContact O-OG1 3.4Å; F344-T351 WeakPolarHBondContact CA-OG1 3.48Å; F344-T351 HydrophobicContact CB-CG2 4.33Å; F344-T351 PolarHBondContact N-OG1 2.88Å; N347-T351 PolarHBondContact O-N 3.37Å; N347-T351 VanDerWaalsContact O-N 3.07Å; N347-T351 PolarHBondContact O-OG1 3Å; Q348-T351 WeakPolarHBondContact O-CB 3.22Å; Q348-T351 PolarHBondContact O-N 3.26Å; K349-T351 PolarHBondContact O-N 3.07Å; T351-H353 PolarHBondContact O-N 3.24Å; T351-A354 PolarHBondContact O-N 2.98Å; T351-L355 HydrophobicContact CG2-CD1 4.13Å; T351-L355 WeakPolarHBondContact O-CB 3.46Å; T351-L355 WeakPolarHBondContact O-CG 3.43Å; T351-L355 PolarHBondContact O-N 3.25Å; T351-F374 HydrophobicContact CG2-CE2 4.3Å; T351-F374 HydrophobicContact CG2-CZ 4.06Å; T351-F378 WeakPolarHBondContact OG1-CE2 3.32Å |
| 352 | E | 90.7 | Very high | 88.1 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57 | -48.4 | 175.8 | -69.8 | 168.9 | -144.8 | 0 | 0 | 112.3 | N311 D313 C314 Q348 K349 L355 S356 | N311-E352 PolarHBondContact ND2-OE1 2.9Å; D313-E352 HydrophobicContact CB-CG 3.84Å; C314-E352 VanDerWaalsContact SG-CG 3.6Å; Q348-E352 WeakPolarHBondContact O-CG 3.4Å; Q348-E352 PolarHBondContact O-N 3.4Å; K349-E352 WeakPolarHBondContact CD-OE2 3.22Å; K349-E352 VanDerWaalsContact NZ-CD 3.31Å; K349-E352 IonicContact NZ-OE1 3.77Å; K349-E352 PolarHBondContact NZ-OE1 2.96Å; K349-E352 VanDerWaalsContact NZ-OE1 3.1Å; K349-E352 IonicContact NZ-OE2 2.83Å; K349-E352 PolarHBondContact NZ-OE2 2.99Å; K349-E352 PolarHBondContact O-N 3.38Å; E352-L355 PolarHBondContact O-N 3.47Å; E352-S356 VanDerWaalsContact O-CB 3.3Å; E352-S356 WeakPolarHBondContact O-CB 3.35Å; E352-S356 PolarHBondContact O-N 3.32Å |
| 353 | H | 85.7 | Confident | 87.7 | Confident | 51 Ų | 51 | 36.6 Ų | 36.6 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 179.3 | -80.8 | -76.9 | 0 | 0 | 0 | 112.4 | K349 T351 Y357 Y381 | K349-H353 PolarHBondContact O-CD2 3.4Å; K349-H353 PolarHBondContact O-N 3.04Å; T351-H353 PolarHBondContact O-N 3.24Å; H353-Y357 WeakPolarHBondContact O-CB 3.41Å; H353-Y357 PolarHBondContact O-N 2.81Å; H353-Y381 HydrophobicContact CB-CD1 4.05Å; H353-Y381 HydrophobicContact CB-CD2 3.98Å; H353-Y381 HydrophobicContact CB-CE1 4.23Å; H353-Y381 HydrophobicContact CB-CE2 4.17Å; H353-Y381 HydrophobicContact CB-CG 3.95Å |
| 354 | A | 89.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A350 T351 Y357 L358 F374 F378 Y381 | A350-A354 WeakPolarHBondContact O-CB 3.24Å; A350-A354 PolarHBondContact O-N 3.18Å; T351-A354 PolarHBondContact O-N 2.98Å; A354-Y357 PolarHBondContact O-N 3.42Å; A354-L358 VanDerWaalsContact O-CB 3.32Å; A354-L358 WeakPolarHBondContact O-CB 3.1Å; A354-L358 PolarHBondContact O-N 2.76Å; A354-F374 HydrophobicContact CB-CD2 3.87Å; A354-F374 HydrophobicContact CB-CE2 3.56Å; A354-F374 HydrophobicContact CB-CZ 4.46Å; A354-F378 HydrophobicContact CB-CB 4.21Å; A354-Y381 HydrophobicContact CB-CD2 4.05Å |
| 355 | L | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 175.8 | -76.1 | 173.7 | 0 | 0 | 0 | 112.5 | C314 Y317 L321 L340 T351 E352 Y357 L358 L359 F374 | C314-L355 HydrophobicContact CB-CD1 4.21Å; Y317-L355 HydrophobicContact CD2-CB 4.28Å; Y317-L355 HydrophobicContact CG-CB 4.15Å; L321-L355 HydrophobicContact CD1-CD2 3.78Å; L340-L355 HydrophobicContact CD1-CD2 4.38Å; L340-L355 HydrophobicContact CD2-CD1 4.24Å; L340-L355 HydrophobicContact CD2-CD2 3.69Å; L340-L355 HydrophobicContact CD2-CG 4.06Å; T351-L355 HydrophobicContact CG2-CD1 4.13Å; T351-L355 WeakPolarHBondContact O-CB 3.46Å; T351-L355 WeakPolarHBondContact O-CG 3.43Å; T351-L355 PolarHBondContact O-N 3.25Å; E352-L355 PolarHBondContact O-N 3.47Å; L355-Y357 VanDerWaalsContact C-N 3.33Å; L355-Y357 PolarHBondContact O-N 2.89Å; L355-L358 WeakPolarHBondContact O-CB 3Å; L355-L358 PolarHBondContact O-N 2.9Å; L355-L359 PolarHBondContact O-N 2.82Å; L355-F374 HydrophobicContact CD2-CD2 4.35Å; L355-F374 HydrophobicContact CD2-CE2 4.38Å; L355-F374 HydrophobicContact CG-CE2 4.18Å |
| 356 | S | 86.9 | Confident | 85.4 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 16% | 0.161 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 175.8 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | Y317 E352 L359 S360 | Y317-S356 PolarHBondContact OH-OG 2.95Å; E352-S356 VanDerWaalsContact O-CB 3.3Å; E352-S356 WeakPolarHBondContact O-CB 3.35Å; E352-S356 PolarHBondContact O-N 3.32Å; S356-L359 PolarHBondContact O-N 3.42Å; S356-S360 PolarHBondContact O-N 3Å; S356-S360 VanDerWaalsContact O-N 3.14Å |
| 357 | Y | 82.7 | Confident | 84.6 | Confident | 39 Ų | 39 | 31.3 Ų | 31.3 | 15% | 0.153 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.8 | -165.9 | -102.5 | 0 | 0 | 0 | 111.6 | E61 H353 A354 L355 L359 S360 L361 Y377 Y381 | E61-Y357 PolarHBondContact OE1-OH 3.47Å; H353-Y357 WeakPolarHBondContact O-CB 3.41Å; H353-Y357 PolarHBondContact O-N 2.81Å; A354-Y357 PolarHBondContact O-N 3.42Å; L355-Y357 VanDerWaalsContact C-N 3.33Å; L355-Y357 PolarHBondContact O-N 2.89Å; Y357-L359 VanDerWaalsContact C-N 3.3Å; Y357-L359 PolarHBondContact O-N 2.81Å; Y357-S360 WeakPolarHBondContact O-CA 3.49Å; Y357-S360 WeakPolarHBondContact O-CB 3.29Å; Y357-S360 PolarHBondContact O-N 3.29Å; Y357-S360 PolarHBondContact O-OG 2.8Å; Y357-L361 HydrophobicContact CD1-CD1 4.01Å; Y357-L361 HydrophobicContact CD1-CD2 4.37Å; Y357-L361 HydrophobicContact CD1-CG 4.1Å; Y357-L361 HydrophobicContact CE1-CD1 3.84Å; Y357-L361 HydrophobicContact CE1-CD2 3.75Å; Y357-L361 HydrophobicContact CE1-CG 3.93Å; Y357-L361 WeakPolarHBondContact O-CG 3.36Å; Y357-L361 PolarHBondContact O-N 2.86Å; Y357-Y377 AromaticContact CD1-CD1 3.67Å; Y357-Y377 HydrophobicContact CD1-CD1 3.67Å; Y357-Y377 AromaticContact CD1-CD2 3.9Å; Y357-Y377 HydrophobicContact CD1-CD2 3.9Å; Y357-Y377 AromaticContact CD1-CE1 3.68Å; Y357-Y377 HydrophobicContact CD1-CE1 3.68Å; Y357-Y377 AromaticContact CD1-CE2 3.93Å; Y357-Y377 HydrophobicContact CD1-CE2 3.93Å; Y357-Y377 AromaticContact CD1-CG 3.82Å; Y357-Y377 HydrophobicContact CD1-CG 3.82Å; Y357-Y377 AromaticContact CD1-CZ 3.83Å; Y357-Y377 AromaticContact CE1-CD1 3.76Å; Y357-Y377 HydrophobicContact CE1-CD1 3.76Å; Y357-Y377 HydrophobicContact CE1-CD2 4.36Å; Y357-Y377 AromaticContact CE1-CE1 3.28Å; Y357-Y377 HydrophobicContact CE1-CE1 3.28Å; Y357-Y377 AromaticContact CE1-CE2 3.96Å; Y357-Y377 HydrophobicContact CE1-CE2 3.96Å; Y357-Y377 HydrophobicContact CE1-CG 4.3Å; Y357-Y377 AromaticContact CE1-CZ 3.41Å; Y357-Y377 VanDerWaalsContact CE1-CZ 3.41Å; Y357-Y381 WeakPolarHBondContact CD2-OH 3.31Å; Y357-Y381 HydrophobicContact CG-CE2 4.49Å |
| 358 | L | 88.2 | Confident | 84 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.3 | -44.4 | 177.2 | -164.9 | 70.9 | 0 | 0 | 0 | 111.4 | L321 F336 A354 L355 S360 L361 V362 I368 L370 F374 | L321-L358 HydrophobicContact CD1-CD2 3.96Å; L321-L358 HydrophobicContact CD2-CD2 4.36Å; L321-L358 HydrophobicContact CD2-CG 4.36Å; F336-L358 HydrophobicContact CZ-CD2 4.17Å; A354-L358 VanDerWaalsContact O-CB 3.32Å; A354-L358 WeakPolarHBondContact O-CB 3.1Å; A354-L358 PolarHBondContact O-N 2.76Å; L355-L358 WeakPolarHBondContact O-CB 3Å; L355-L358 PolarHBondContact O-N 2.9Å; L358-S360 VanDerWaalsContact C-N 3.3Å; L358-S360 PolarHBondContact O-N 3.22Å; L358-L361 PolarHBondContact O-N 3Å; L358-V362 WeakPolarHBondContact O-CG2 3.29Å; L358-V362 PolarHBondContact O-N 2.81Å; L358-I368 HydrophobicContact CD1-CD1 3.46Å; L358-I368 VanDerWaalsContact CD1-CD1 3.46Å; L358-I368 HydrophobicContact CG-CD1 4.04Å; L358-L370 HydrophobicContact CD1-CD2 4.16Å; L358-L370 HydrophobicContact CD2-CB 4.29Å; L358-L370 HydrophobicContact CD2-CD2 3.7Å; L358-L370 HydrophobicContact CG-CD2 3.92Å; L358-F374 HydrophobicContact CD2-CB 4.41Å |
| 359 | L | 89.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 174.4 | -174.5 | 64.3 | 0 | 0 | 0 | 111.6 | Y317 A320 L321 R324 L355 S356 Y357 L361 V362 D363 V418 | Y317-L359 HydrophobicContact CD1-CD2 4.13Å; A320-L359 HydrophobicContact CB-CD1 4.01Å; A320-L359 HydrophobicContact CB-CD2 3.64Å; A320-L359 HydrophobicContact CB-CG 4.48Å; L321-L359 HydrophobicContact CD2-CB 4.29Å; L321-L359 HydrophobicContact CD2-CD1 4.05Å; L321-L359 HydrophobicContact CG-CD1 4.4Å; R324-L359 HydrophobicContact CG-CD1 4.48Å; L355-L359 PolarHBondContact O-N 2.82Å; S356-L359 PolarHBondContact O-N 3.42Å; Y357-L359 VanDerWaalsContact C-N 3.3Å; Y357-L359 PolarHBondContact O-N 2.81Å; L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 PolarHBondContact O-N 2.62Å; L359-V362 PolarHBondContact O-N 3.37Å; L359-D363 WeakPolarHBondContact O-CB 3.44Å; L359-D363 PolarHBondContact O-N 3.03Å; L359-V418 HydrophobicContact CD2-CG2 4.04Å |
| 360 | S | 80.1 | Confident | 83.8 | Confident | 27 Ų | 27 | 25.9 Ų | 25.9 | 19% | 0.189 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -34.7 | 177.6 | 81.5 | 0 | 0 | 0 | 0 | 113.2 | S356 Y357 L358 Q364 | S356-S360 PolarHBondContact O-N 3Å; S356-S360 VanDerWaalsContact O-N 3.14Å; Y357-S360 WeakPolarHBondContact O-CA 3.49Å; Y357-S360 WeakPolarHBondContact O-CB 3.29Å; Y357-S360 PolarHBondContact O-N 3.29Å; Y357-S360 PolarHBondContact O-OG 2.8Å; L358-S360 VanDerWaalsContact C-N 3.3Å; L358-S360 PolarHBondContact O-N 3.22Å; S360-Q364 WeakPolarHBondContact O-CB 3.36Å; S360-Q364 VanDerWaalsContact O-CG 3.28Å; S360-Q364 WeakPolarHBondContact O-CG 3.34Å; S360-Q364 PolarHBondContact O-N 3.49Å; S360-Q364 VanDerWaalsContact O-N 3.08Å; S360-Q364 PolarHBondContact O-NE2 3.25Å |
| 361 | L | 79.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.6 | -41 | 175.9 | -60.4 | -177.9 | 0 | 0 | 0 | 111.2 | Y357 L358 L359 Q364 L365 Q366 I368 Y377 | Y357-L361 HydrophobicContact CD1-CD1 4.01Å; Y357-L361 HydrophobicContact CD1-CD2 4.37Å; Y357-L361 HydrophobicContact CD1-CG 4.1Å; Y357-L361 HydrophobicContact CE1-CD1 3.84Å; Y357-L361 HydrophobicContact CE1-CD2 3.75Å; Y357-L361 HydrophobicContact CE1-CG 3.93Å; Y357-L361 WeakPolarHBondContact O-CG 3.36Å; Y357-L361 PolarHBondContact O-N 2.86Å; L358-L361 PolarHBondContact O-N 3Å; L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 PolarHBondContact O-N 2.62Å; L361-Q364 WeakPolarHBondContact O-CB 3.43Å; L361-Q364 PolarHBondContact O-N 3.43Å; L361-L365 PolarHBondContact O-N 2.78Å; L361-Q366 WeakPolarHBondContact O-CB 3.38Å; L361-Q366 PolarHBondContact O-N 3.2Å; L361-Q366 VanDerWaalsContact O-N 3.13Å; L361-I368 HydrophobicContact CB-CD1 4.01Å; L361-I368 HydrophobicContact CB-CG2 4.44Å; L361-I368 HydrophobicContact CD1-CG2 4.38Å; L361-Y377 HydrophobicContact CD1-CD2 4.39Å; L361-Y377 HydrophobicContact CD1-CE2 3.47Å; L361-Y377 VanDerWaalsContact CD1-CE2 3.47Å |
| 362 | V | 85 | Confident | 83.5 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 11% | 0.109 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 111 | L321 R324 V328 L358 L359 Q364 L365 I368 L370 | L321-V362 HydrophobicContact CD2-CG2 4.18Å; R324-V362 HydrophobicContact CB-CG1 4.01Å; R324-V362 HydrophobicContact CG-CG1 3.79Å; V328-V362 HydrophobicContact CG2-CG1 3.81Å; V328-V362 HydrophobicContact CG2-CG2 4.25Å; L358-V362 WeakPolarHBondContact O-CG2 3.29Å; L358-V362 PolarHBondContact O-N 2.81Å; L359-V362 PolarHBondContact O-N 3.37Å; V362-Q364 PolarHBondContact O-N 3.32Å; V362-L365 WeakPolarHBondContact O-CA 3.25Å; V362-L365 PolarHBondContact O-N 3.18Å; V362-I368 HydrophobicContact CG2-CD1 3.7Å; V362-I368 HydrophobicContact CG2-CG1 4.34Å; V362-L370 HydrophobicContact CG2-CD2 4.42Å |
| 363 | D | 82.3 | Confident | 83.3 | Confident | 51 Ų | 51 | 28.6 Ų | 28.6 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65 | -27 | 177.3 | -76.8 | -21 | 0 | 0 | 0 | 112.8 | R324 L359 L365 | R324-D363 IonicContact CZ-OD1 3.44Å; R324-D363 IonicContact CZ-OD2 3.43Å; R324-D363 IonicContact NE-OD1 2.64Å; R324-D363 PolarHBondContact NE-OD1 3.29Å; R324-D363 VanDerWaalsContact NH2-CG 3.32Å; R324-D363 IonicContact NH2-OD1 3.09Å; R324-D363 PolarHBondContact NH2-OD1 2.93Å; R324-D363 IonicContact NH2-OD2 3.74Å; R324-D363 PolarHBondContact NH2-OD2 3.05Å; L359-D363 WeakPolarHBondContact O-CB 3.44Å; L359-D363 PolarHBondContact O-N 3.03Å; D363-L365 PolarHBondContact O-N 2.78Å |
| 364 | Q | 74.4 | Confident | 83.6 | Confident | 79 Ų | 79 | 26.2 Ų | 26.2 | 37% | 0.369 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 2.4 | 170.5 | -75.3 | 167.3 | 69.6 | 0 | 0 | 113.9 | S360 L361 V362 Q366 S1028 | S360-Q364 WeakPolarHBondContact O-CB 3.36Å; S360-Q364 VanDerWaalsContact O-CG 3.28Å; S360-Q364 WeakPolarHBondContact O-CG 3.34Å; S360-Q364 PolarHBondContact O-N 3.49Å; S360-Q364 VanDerWaalsContact O-N 3.08Å; S360-Q364 PolarHBondContact O-NE2 3.25Å; L361-Q364 WeakPolarHBondContact O-CB 3.43Å; L361-Q364 PolarHBondContact O-N 3.43Å; V362-Q364 PolarHBondContact O-N 3.32Å; Q364-Q366 HydrophobicContact CB-CG 4.16Å; Q364-Q366 PolarHBondContact O-N 3.05Å; Q364-S1028 PolarHBondContact NE2-OG 2.84Å; Q364-S1028 PolarHBondContact OE1-OG 3.45Å |
| 365 | L | 76.4 | Confident | 83.6 | Confident | 66 Ų | 66 | 32.2 Ų | 32.2 | 35% | 0.346 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 29.5 | -179 | -50.3 | 165 | 0 | 0 | 0 | 113 | K219 L361 V362 D363 | K219-L365 HydrophobicContact CB-CD1 3.81Å; K219-L365 HydrophobicContact CB-CD2 4.48Å; K219-L365 HydrophobicContact CD-CD1 3.53Å; K219-L365 HydrophobicContact CG-CD1 3.41Å; K219-L365 VanDerWaalsContact CG-CD1 3.41Å; L361-L365 PolarHBondContact O-N 2.78Å; V362-L365 WeakPolarHBondContact O-CA 3.25Å; V362-L365 PolarHBondContact O-N 3.18Å; D363-L365 PolarHBondContact O-N 2.78Å |
| 366 | Q | 73.2 | Confident | 83.2 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | trans | -74.8 | 137.2 | 172 | -62.7 | -167.3 | -1.1 | 0 | 0 | 110.2 | N62 L361 Q364 I368 | N62-Q366 PolarHBondContact OD1-OE1 3.2Å; L361-Q366 WeakPolarHBondContact O-CB 3.38Å; L361-Q366 PolarHBondContact O-N 3.2Å; L361-Q366 VanDerWaalsContact O-N 3.13Å; Q364-Q366 HydrophobicContact CB-CG 4.16Å; Q364-Q366 PolarHBondContact O-N 3.05Å; Q366-I368 HydrophobicContact CB-CG2 4.08Å; Q366-I368 PolarHBondContact O-N 3.49Å | ||
| 367 | E | 72.9 | Confident | 83.1 | Confident | 51 Ų | 51 | 35.3 Ų | 35.3 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | trans | -79.3 | 108.4 | 171 | -66.7 | -169.3 | 164.5 | 0 | 0 | 109.6 | I143 Y202 | I143-E367 WeakPolarHBondContact CG1-OE2 3.24Å; Y202-E367 WeakPolarHBondContact CE1-OE1 3.4Å; Y202-E367 PolarHBondContact OH-OE1 3.28Å | ||
| 368 | I | 78 | Confident | 83.4 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.092 | 17% | 0.169 | C | C | . | . | trans | -127.9 | 146.4 | -178.1 | 64.6 | 178.3 | 0 | 0 | 0 | 110.4 | Q331 L358 L361 V362 Q366 L370 | Q331-I368 PolarHBondContact NE2-O 3.27Å; L358-I368 HydrophobicContact CD1-CD1 3.46Å; L358-I368 VanDerWaalsContact CD1-CD1 3.46Å; L358-I368 HydrophobicContact CG-CD1 4.04Å; L361-I368 HydrophobicContact CB-CD1 4.01Å; L361-I368 HydrophobicContact CB-CG2 4.44Å; L361-I368 HydrophobicContact CD1-CG2 4.38Å; V362-I368 HydrophobicContact CG2-CD1 3.7Å; V362-I368 HydrophobicContact CG2-CG1 4.34Å; Q366-I368 HydrophobicContact CB-CG2 4.08Å; Q366-I368 PolarHBondContact O-N 3.49Å; I368-L370 HydrophobicContact CD1-CD2 3.97Å; I368-L370 HydrophobicContact CG1-CD2 4.13Å | ||
| 369 | F | 84 | Confident | 83.4 | Confident | 72 Ų | 72 | 37.1 Ų | 37.1 | 32% | 0.316 | 19% | 0.187 | S | C | . | . | trans | -93.4 | 114.6 | 165.2 | -170.4 | -111 | 0 | 0 | 0 | 108.7 | D63 Q331 P371 S372 S373 | D63-F369 VanDerWaalsContact OD2-CB 3.31Å; D63-F369 WeakPolarHBondContact OD2-CB 3.49Å; D63-F369 PolarHBondContact OD2-N 3.08Å; Q331-F369 HydrophobicContact CG-CE2 4.49Å; Q331-F369 VanDerWaalsContact OE1-CA 3.23Å; F369-P371 HydrophobicContact CD1-CB 4.26Å; F369-P371 HydrophobicContact CD1-CG 4.18Å; F369-P371 HydrophobicContact CE1-CB 3.87Å; F369-P371 HydrophobicContact CE1-CG 3.65Å; F369-P371 HydrophobicContact CZ-CG 3.93Å; F369-S372 WeakPolarHBondContact CB-OG 3.27Å; F369-S372 WeakPolarHBondContact CD1-OG 3.16Å; F369-S372 PolarHBondContact O-N 3.46Å; F369-S372 PolarHBondContact O-OG 3Å; F369-S372 VanDerWaalsContact O-OG 3.07Å; F369-S373 VanDerWaalsContact O-CB 3.23Å; F369-S373 WeakPolarHBondContact O-CB 3.34Å; F369-S373 PolarHBondContact O-N 3.25Å; F369-S373 PolarHBondContact O-OG 3.12Å; F369-S373 VanDerWaalsContact O-OG 3.12Å | ||
| 370 | L | 88.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.6 | -46.6 | -169.2 | -57.2 | 179.8 | 0 | 0 | 0 | 112.5 | V328 Q331 M332 F336 L358 V362 I368 S372 F374 | V328-L370 HydrophobicContact CG1-CD1 3.8Å; V328-L370 HydrophobicContact CG1-CD2 4.39Å; Q331-L370 HydrophobicContact CB-CB 4.34Å; Q331-L370 HydrophobicContact CB-CD1 3.83Å; Q331-L370 HydrophobicContact CB-CG 4.03Å; M332-L370 HydrophobicContact CG-CD1 3.84Å; F336-L370 HydrophobicContact CD2-CB 4.5Å; F336-L370 HydrophobicContact CE1-CB 4.15Å; F336-L370 HydrophobicContact CE1-CD1 4.16Å; F336-L370 HydrophobicContact CE2-CB 4.04Å; F336-L370 HydrophobicContact CZ-CB 3.84Å; L358-L370 HydrophobicContact CD1-CD2 4.16Å; L358-L370 HydrophobicContact CD2-CB 4.29Å; L358-L370 HydrophobicContact CD2-CD2 3.7Å; L358-L370 HydrophobicContact CG-CD2 3.92Å; V362-L370 HydrophobicContact CG2-CD2 4.42Å; I368-L370 HydrophobicContact CD1-CD2 3.97Å; I368-L370 HydrophobicContact CG1-CD2 4.13Å; L370-S372 PolarHBondContact O-N 3.06Å; L370-F374 WeakPolarHBondContact O-CB 3.45Å; L370-F374 PolarHBondContact O-N 3.37Å |
| 371 | P | 88.5 | Confident | 83.1 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | -178.3 | -25.8 | 36 | 0 | 0 | 0 | 114.6 | F336 Q339 F369 K375 | F336-P371 HydrophobicContact CB-CG 4.26Å; F336-P371 HydrophobicContact CD2-CB 4.08Å; F336-P371 HydrophobicContact CD2-CG 3.85Å; F336-P371 HydrophobicContact CG-CG 4.3Å; Q339-P371 PolarHBondContact NE2-O 3.49Å; Q339-P371 PolarHBondContact OE1-O 3.47Å; F369-P371 HydrophobicContact CD1-CB 4.26Å; F369-P371 HydrophobicContact CD1-CG 4.18Å; F369-P371 HydrophobicContact CE1-CB 3.87Å; F369-P371 HydrophobicContact CE1-CG 3.65Å; F369-P371 HydrophobicContact CZ-CG 3.93Å; P371-K375 WeakPolarHBondContact O-CB 3.48Å; P371-K375 PolarHBondContact O-N 2.95Å |
| 372 | S | 85.2 | Confident | 83.3 | Confident | 46 Ų | 46 | 42.7 Ų | 42.7 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.1 | -45 | 179.8 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | D63 F369 L370 K375 K376 | D63-S372 PolarHBondContact OD2-OG 3.49Å; F369-S372 WeakPolarHBondContact CB-OG 3.27Å; F369-S372 WeakPolarHBondContact CD1-OG 3.16Å; F369-S372 PolarHBondContact O-N 3.46Å; F369-S372 PolarHBondContact O-OG 3Å; F369-S372 VanDerWaalsContact O-OG 3.07Å; L370-S372 PolarHBondContact O-N 3.06Å; S372-K375 PolarHBondContact O-N 3.06Å; S372-K376 WeakPolarHBondContact O-CB 3.38Å; S372-K376 PolarHBondContact O-N 3.38Å |
| 373 | S | 86.2 | Confident | 83 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 178.8 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | D63 F369 K375 K376 Y377 | D63-S373 PolarHBondContact OD2-OG 3.15Å; F369-S373 VanDerWaalsContact O-CB 3.23Å; F369-S373 WeakPolarHBondContact O-CB 3.34Å; F369-S373 PolarHBondContact O-N 3.25Å; F369-S373 PolarHBondContact O-OG 3.12Å; F369-S373 VanDerWaalsContact O-OG 3.12Å; S373-K375 PolarHBondContact O-N 2.86Å; S373-K376 PolarHBondContact O-N 3.44Å; S373-Y377 WeakPolarHBondContact O-CD2 3.48Å; S373-Y377 PolarHBondContact O-N 3.42Å |
| 374 | F | 91 | Very high | 82.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 176 | 175.7 | -101.6 | 0 | 0 | 0 | 111.4 | F336 Q339 L340 A343 T351 A354 L355 L358 L370 K376 Y377 F378 | F336-F374 HydrophobicContact CE2-CB 3.68Å; F336-F374 HydrophobicContact CE2-CD1 4.25Å; F336-F374 HydrophobicContact CE2-CG 4.01Å; F336-F374 HydrophobicContact CZ-CB 4.18Å; F336-F374 HydrophobicContact CZ-CG 4.41Å; Q339-F374 HydrophobicContact CG-CD1 4.24Å; Q339-F374 HydrophobicContact CG-CE1 4.44Å; L340-F374 HydrophobicContact CD2-CD1 3.98Å; L340-F374 HydrophobicContact CD2-CD2 3.75Å; L340-F374 HydrophobicContact CD2-CE1 3.58Å; L340-F374 HydrophobicContact CD2-CE2 3.31Å; L340-F374 HydrophobicContact CD2-CG 4.09Å; L340-F374 HydrophobicContact CD2-CZ 3.25Å; L340-F374 HydrophobicContact CG-CD1 4.46Å; L340-F374 HydrophobicContact CG-CE1 4.22Å; L340-F374 HydrophobicContact CG-CZ 4.33Å; A343-F374 HydrophobicContact CB-CE1 3.65Å; A343-F374 HydrophobicContact CB-CZ 3.69Å; T351-F374 HydrophobicContact CG2-CE2 4.3Å; T351-F374 HydrophobicContact CG2-CZ 4.06Å; A354-F374 HydrophobicContact CB-CD2 3.87Å; A354-F374 HydrophobicContact CB-CE2 3.56Å; A354-F374 HydrophobicContact CB-CZ 4.46Å; L355-F374 HydrophobicContact CD2-CD2 4.35Å; L355-F374 HydrophobicContact CD2-CE2 4.38Å; L355-F374 HydrophobicContact CG-CE2 4.18Å; L358-F374 HydrophobicContact CD2-CB 4.41Å; L370-F374 WeakPolarHBondContact O-CB 3.45Å; L370-F374 PolarHBondContact O-N 3.37Å; F374-K376 VanDerWaalsContact C-N 3.29Å; F374-K376 PolarHBondContact O-N 3.42Å; F374-Y377 PolarHBondContact O-N 2.91Å; F374-F378 HydrophobicContact CE1-CB 4.12Å; F374-F378 HydrophobicContact CE1-CG 4.45Å; F374-F378 HydrophobicContact CE2-CB 4.37Å; F374-F378 HydrophobicContact CZ-CB 3.96Å; F374-F378 HydrophobicContact CZ-CD2 4.15Å; F374-F378 HydrophobicContact CZ-CG 4.24Å; F374-F378 VanDerWaalsContact O-CB 3.24Å; F374-F378 WeakPolarHBondContact O-CB 3.41Å; F374-F378 PolarHBondContact O-N 2.95Å |
| 375 | K | 89.5 | Confident | 82.2 | Confident | 125 Ų | 125 | 47.6 Ų | 47.6 | 54% | 0.543 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -52.6 | -50.1 | 177.8 | -166 | 173.5 | 176.1 | 176.4 | 0 | 111.5 | Q339 P371 S372 S373 Y377 F378 D379 | Q339-K375 VanDerWaalsContact NE2-CB 3.32Å; P371-K375 WeakPolarHBondContact O-CB 3.48Å; P371-K375 PolarHBondContact O-N 2.95Å; S372-K375 PolarHBondContact O-N 3.06Å; S373-K375 PolarHBondContact O-N 2.86Å; K375-Y377 PolarHBondContact O-N 3.26Å; K375-F378 PolarHBondContact O-N 2.92Å; K375-D379 WeakPolarHBondContact O-CB 3.41Å; K375-D379 VanDerWaalsContact O-CG 3.29Å; K375-D379 PolarHBondContact O-N 3.36Å |
| 376 | K | 84.5 | Confident | 81.5 | Confident | 85 Ų | 85 | 45 Ų | 45 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.5 | -46.2 | -178.8 | 178.8 | -171.5 | 173.3 | -160 | 0 | 112 | S60 S372 S373 F374 K380 | S60-K376 VanDerWaalsContact C-NZ 3.27Å; S60-K376 PolarHBondContact O-NZ 2.96Å; S372-K376 WeakPolarHBondContact O-CB 3.38Å; S372-K376 PolarHBondContact O-N 3.38Å; S373-K376 PolarHBondContact O-N 3.44Å; F374-K376 VanDerWaalsContact C-N 3.29Å; F374-K376 PolarHBondContact O-N 3.42Å; K376-K380 WeakPolarHBondContact O-CB 3.27Å; K376-K380 PolarHBondContact O-N 3.29Å; K376-K380 VanDerWaalsContact O-N 3.1Å |
| 377 | Y | 85.2 | Confident | 81 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.5 | -35.2 | -179.6 | -66.7 | -60 | 0 | 0 | 0 | 112.4 | E61 Y357 L361 S373 F374 K375 K380 Y381 | E61-Y377 VanDerWaalsContact CB-OH 3.25Å; E61-Y377 WeakPolarHBondContact CB-OH 3.38Å; E61-Y377 WeakPolarHBondContact CG-OH 3.33Å; Y357-Y377 AromaticContact CD1-CD1 3.67Å; Y357-Y377 HydrophobicContact CD1-CD1 3.67Å; Y357-Y377 AromaticContact CD1-CD2 3.9Å; Y357-Y377 HydrophobicContact CD1-CD2 3.9Å; Y357-Y377 AromaticContact CD1-CE1 3.68Å; Y357-Y377 HydrophobicContact CD1-CE1 3.68Å; Y357-Y377 AromaticContact CD1-CE2 3.93Å; Y357-Y377 HydrophobicContact CD1-CE2 3.93Å; Y357-Y377 AromaticContact CD1-CG 3.82Å; Y357-Y377 HydrophobicContact CD1-CG 3.82Å; Y357-Y377 AromaticContact CD1-CZ 3.83Å; Y357-Y377 AromaticContact CE1-CD1 3.76Å; Y357-Y377 HydrophobicContact CE1-CD1 3.76Å; Y357-Y377 HydrophobicContact CE1-CD2 4.36Å; Y357-Y377 AromaticContact CE1-CE1 3.28Å; Y357-Y377 HydrophobicContact CE1-CE1 3.28Å; Y357-Y377 AromaticContact CE1-CE2 3.96Å; Y357-Y377 HydrophobicContact CE1-CE2 3.96Å; Y357-Y377 HydrophobicContact CE1-CG 4.3Å; Y357-Y377 AromaticContact CE1-CZ 3.41Å; Y357-Y377 VanDerWaalsContact CE1-CZ 3.41Å; L361-Y377 HydrophobicContact CD1-CD2 4.39Å; L361-Y377 HydrophobicContact CD1-CE2 3.47Å; L361-Y377 VanDerWaalsContact CD1-CE2 3.47Å; S373-Y377 WeakPolarHBondContact O-CD2 3.48Å; S373-Y377 PolarHBondContact O-N 3.42Å; F374-Y377 PolarHBondContact O-N 2.91Å; K375-Y377 PolarHBondContact O-N 3.26Å; Y377-K380 HydrophobicContact CD1-CD 4.34Å; Y377-K380 WeakPolarHBondContact O-CB 3.43Å; Y377-K380 PolarHBondContact O-N 3.42Å; Y377-Y381 WeakPolarHBondContact O-CB 3.5Å; Y377-Y381 WeakPolarHBondContact O-CD2 3.49Å; Y377-Y381 PolarHBondContact O-N 3.48Å |
| 378 | F | 89.9 | Confident | 80.2 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -54.3 | 171.7 | 175.2 | -97.5 | 0 | 0 | 0 | 110.8 | A343 R346 N347 A350 T351 A354 F374 K375 K380 Y381 D382 | A343-F378 HydrophobicContact CB-CD1 4.15Å; A343-F378 HydrophobicContact CB-CD2 3.7Å; A343-F378 HydrophobicContact CB-CE1 4.06Å; A343-F378 HydrophobicContact CB-CE2 3.6Å; A343-F378 HydrophobicContact CB-CG 3.97Å; A343-F378 HydrophobicContact CB-CZ 3.78Å; A343-F378 VanDerWaalsContact O-CE2 3.29Å; A343-F378 WeakPolarHBondContact O-CE2 3.24Å; A343-F378 WeakPolarHBondContact O-CZ 3.4Å; R346-F378 HydrophobicContact CB-CZ 4.18Å; R346-F378 HydrophobicContact CG-CZ 4.15Å; N347-F378 HydrophobicContact CB-CE2 4.16Å; N347-F378 HydrophobicContact CB-CZ 4.21Å; A350-F378 HydrophobicContact CB-CD2 3.97Å; A350-F378 HydrophobicContact CB-CE2 3.8Å; T351-F378 WeakPolarHBondContact OG1-CE2 3.32Å; A354-F378 HydrophobicContact CB-CB 4.21Å; F374-F378 HydrophobicContact CE1-CB 4.12Å; F374-F378 HydrophobicContact CE1-CG 4.45Å; F374-F378 HydrophobicContact CE2-CB 4.37Å; F374-F378 HydrophobicContact CZ-CB 3.96Å; F374-F378 HydrophobicContact CZ-CD2 4.15Å; F374-F378 HydrophobicContact CZ-CG 4.24Å; F374-F378 VanDerWaalsContact O-CB 3.24Å; F374-F378 WeakPolarHBondContact O-CB 3.41Å; F374-F378 PolarHBondContact O-N 2.95Å; K375-F378 PolarHBondContact O-N 2.92Å; F378-K380 PolarHBondContact O-N 3.49Å; F378-Y381 PolarHBondContact O-N 2.97Å; F378-Y381 VanDerWaalsContact O-N 3.08Å; F378-D382 HydrophobicContact CE1-CB 4.35Å; F378-D382 HydrophobicContact CZ-CB 4.37Å; F378-D382 VanDerWaalsContact O-CB 3.26Å; F378-D382 WeakPolarHBondContact O-CB 3.48Å; F378-D382 PolarHBondContact O-N 3.36Å |
| 379 | D | 87.2 | Confident | 79.1 | Confident | 69 Ų | 69 | 50.8 Ų | 50.8 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.4 | -36.9 | 177.9 | -71.3 | -27.3 | 0 | 0 | 0 | 111.2 | K375 S383 | K375-D379 WeakPolarHBondContact O-CB 3.41Å; K375-D379 VanDerWaalsContact O-CG 3.29Å; K375-D379 PolarHBondContact O-N 3.36Å; D379-S383 WeakPolarHBondContact O-CB 3.46Å; D379-S383 PolarHBondContact O-N 3.1Å; D379-S383 VanDerWaalsContact O-N 3.1Å |
| 380 | K | 79.7 | Confident | 77.8 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.8 | -49.9 | 174.3 | -178.3 | -174.1 | 176.3 | -171.8 | 0 | 112.2 | K376 Y377 F378 S383 L384 | K376-K380 WeakPolarHBondContact O-CB 3.27Å; K376-K380 PolarHBondContact O-N 3.29Å; K376-K380 VanDerWaalsContact O-N 3.1Å; Y377-K380 HydrophobicContact CD1-CD 4.34Å; Y377-K380 WeakPolarHBondContact O-CB 3.43Å; Y377-K380 PolarHBondContact O-N 3.42Å; F378-K380 PolarHBondContact O-N 3.49Å; K380-S383 PolarHBondContact O-N 3.34Å; K380-S383 PolarHBondContact O-OG 3.24Å; K380-L384 PolarHBondContact O-N 3.07Å |
| 381 | Y | 82.7 | Confident | 76.1 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.8 | -31.4 | -179.3 | -73.8 | -60.8 | 0 | 0 | 0 | 112.6 | H353 A354 Y357 Y377 F378 S383 L384 L386 | H353-Y381 HydrophobicContact CB-CD1 4.05Å; H353-Y381 HydrophobicContact CB-CD2 3.98Å; H353-Y381 HydrophobicContact CB-CE1 4.23Å; H353-Y381 HydrophobicContact CB-CE2 4.17Å; H353-Y381 HydrophobicContact CB-CG 3.95Å; A354-Y381 HydrophobicContact CB-CD2 4.05Å; Y357-Y381 WeakPolarHBondContact CD2-OH 3.31Å; Y357-Y381 HydrophobicContact CG-CE2 4.49Å; Y377-Y381 WeakPolarHBondContact O-CB 3.5Å; Y377-Y381 WeakPolarHBondContact O-CD2 3.49Å; Y377-Y381 PolarHBondContact O-N 3.48Å; F378-Y381 PolarHBondContact O-N 2.97Å; F378-Y381 VanDerWaalsContact O-N 3.08Å; Y381-S383 VanDerWaalsContact C-N 3.29Å; Y381-S383 PolarHBondContact O-N 2.97Å; Y381-L384 HydrophobicContact CD1-CD1 3.88Å; Y381-L384 HydrophobicContact CE1-CD1 4.37Å; Y381-L384 WeakPolarHBondContact O-CB 3.28Å; Y381-L384 PolarHBondContact O-N 2.89Å; Y381-L384 VanDerWaalsContact O-N 3.12Å; Y381-L386 HydrophobicContact CD1-CD2 4.1Å; Y381-L386 WeakPolarHBondContact O-CD1 3.41Å |
| 382 | D | 84.6 | Confident | 74.2 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 21% | 0.214 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -32.5 | 173.2 | -168.3 | 56.8 | 0 | 0 | 0 | 111.7 | R346 N347 A350 F378 L384 | R346-D382 IonicContact CZ-OD2 2.72Å; R346-D382 IonicContact NE-OD2 2.69Å; R346-D382 PolarHBondContact NE-OD2 2.69Å; R346-D382 IonicContact NH2-OD2 2.71Å; R346-D382 PolarHBondContact NH2-OD2 3.5Å; N347-D382 WeakPolarHBondContact CB-OD1 3.05Å; N347-D382 PolarHBondContact ND2-OD1 3.3Å; A350-D382 HydrophobicContact CB-CB 4.21Å; F378-D382 HydrophobicContact CE1-CB 4.35Å; F378-D382 HydrophobicContact CZ-CB 4.37Å; F378-D382 VanDerWaalsContact O-CB 3.26Å; F378-D382 WeakPolarHBondContact O-CB 3.48Å; F378-D382 PolarHBondContact O-N 3.36Å; D382-L384 PolarHBondContact O-N 3.26Å |
| 383 | S | 78.8 | Confident | 72.6 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 67% | 0.671 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.8 | 172.3 | 79.4 | 0 | 0 | 0 | 0 | 114.2 | D379 K380 Y381 | D379-S383 WeakPolarHBondContact O-CB 3.46Å; D379-S383 PolarHBondContact O-N 3.1Å; D379-S383 VanDerWaalsContact O-N 3.1Å; K380-S383 PolarHBondContact O-N 3.34Å; K380-S383 PolarHBondContact O-OG 3.24Å; Y381-S383 VanDerWaalsContact C-N 3.29Å; Y381-S383 PolarHBondContact O-N 2.97Å |
| 384 | L | 72.2 | Confident | 70.9 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 37% | 0.366 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -91.6 | 142.6 | 178.1 | -69.9 | 170 | 0 | 0 | 0 | 110.2 | K380 Y381 D382 L386 L389 | K380-L384 PolarHBondContact O-N 3.07Å; Y381-L384 HydrophobicContact CD1-CD1 3.88Å; Y381-L384 HydrophobicContact CE1-CD1 4.37Å; Y381-L384 WeakPolarHBondContact O-CB 3.28Å; Y381-L384 PolarHBondContact O-N 2.89Å; Y381-L384 VanDerWaalsContact O-N 3.12Å; D382-L384 PolarHBondContact O-N 3.26Å; L384-L386 HydrophobicContact CB-CD2 4.41Å; L384-L386 HydrophobicContact CB-CG 4.48Å; L384-L386 PolarHBondContact O-N 3.14Å; L384-L389 HydrophobicContact CB-CD1 4.43Å |
| 385 | N | 67.3 | Low | 68.8 | Low | 85 Ų | 85 | 74.8 Ų | 74.8 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | trans | -74.8 | 78 | 167.8 | -166.2 | -8.5 | 0 | 0 | 0 | 109.8 | A387 E388 L389 | N385-A387 PolarHBondContact O-N 3.25Å; N385-E388 HydrophobicContact CB-CB 4.15Å; N385-E388 HydrophobicContact CB-CG 4.47Å; N385-E388 VanDerWaalsContact ND2-CG 3.29Å; N385-E388 WeakPolarHBondContact ND2-CG 3.02Å; N385-E388 PolarHBondContact ND2-OE2 2.68Å; N385-E388 VanDerWaalsContact ND2-OE2 3.09Å; N385-E388 WeakPolarHBondContact O-CB 3.46Å; N385-E388 PolarHBondContact O-N 3.24Å; N385-E388 VanDerWaalsContact O-N 3.13Å; N385-E388 PolarHBondContact OD1-N 3.27Å; N385-L389 PolarHBondContact O-N 3.03Å; N385-L389 VanDerWaalsContact O-N 3.16Å | ||
| 386 | L | 63.4 | Low | 66.7 | Low | 10 Ų | 10 | 73.6 Ų | 73.6 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61 | -32.8 | -178.9 | -67.9 | 170 | 0 | 0 | 0 | 112.3 | K349 A350 Y381 L384 E388 L389 E390 | K349-L386 HydrophobicContact CB-CD1 4.21Å; A350-L386 VanDerWaalsContact CA-CD1 3.45Å; A350-L386 HydrophobicContact CB-CD1 3.77Å; Y381-L386 HydrophobicContact CD1-CD2 4.1Å; Y381-L386 WeakPolarHBondContact O-CD1 3.41Å; L384-L386 HydrophobicContact CB-CD2 4.41Å; L384-L386 HydrophobicContact CB-CG 4.48Å; L384-L386 PolarHBondContact O-N 3.14Å; L386-E388 VanDerWaalsContact C-N 3.28Å; L386-E388 PolarHBondContact O-N 2.97Å; L386-L389 HydrophobicContact CD2-CD1 4.06Å; L386-L389 WeakPolarHBondContact O-CB 3.27Å; L386-L389 PolarHBondContact O-N 3.36Å; L386-L389 VanDerWaalsContact O-N 3.09Å; L386-E390 PolarHBondContact O-N 2.97Å |
| 387 | A | 61.2 | Low | 65 | Low | 62 Ų | 62 | 72.9 Ų | 72.9 | 51% | 0.512 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N385 K391 | N385-A387 PolarHBondContact O-N 3.25Å; A387-K391 WeakPolarHBondContact O-CB 3.33Å; A387-K391 WeakPolarHBondContact O-CG 3.46Å; A387-K391 PolarHBondContact O-N 3.45Å |
| 388 | E | 57.6 | Low | 63.5 | Low | 105 Ų | 105 | 80.2 Ų | 80.2 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 169.9 | -87.4 | -179.8 | 169.2 | 0 | 0 | 111.8 | N385 L386 K391 M392 | N385-E388 HydrophobicContact CB-CB 4.15Å; N385-E388 HydrophobicContact CB-CG 4.47Å; N385-E388 VanDerWaalsContact ND2-CG 3.29Å; N385-E388 WeakPolarHBondContact ND2-CG 3.02Å; N385-E388 PolarHBondContact ND2-OE2 2.68Å; N385-E388 VanDerWaalsContact ND2-OE2 3.09Å; N385-E388 WeakPolarHBondContact O-CB 3.46Å; N385-E388 PolarHBondContact O-N 3.24Å; N385-E388 VanDerWaalsContact O-N 3.13Å; N385-E388 PolarHBondContact OD1-N 3.27Å; L386-E388 VanDerWaalsContact C-N 3.28Å; L386-E388 PolarHBondContact O-N 2.97Å; E388-K391 PolarHBondContact O-N 2.86Å; E388-M392 HydrophobicContact CB-CE 4Å; E388-M392 HydrophobicContact CG-CE 4.37Å; E388-M392 WeakPolarHBondContact O-CB 3.39Å; E388-M392 WeakPolarHBondContact O-CG 3.24Å; E388-M392 PolarHBondContact O-N 3.09Å |
| 389 | L | 53.6 | Low | 62.1 | Low | 57 Ų | 57 | 83 Ų | 83 | 30% | 0.298 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.8 | -77.8 | 159 | 0 | 0 | 0 | 112.2 | L384 N385 L386 M392 E393 | L384-L389 HydrophobicContact CB-CD1 4.43Å; N385-L389 PolarHBondContact O-N 3.03Å; N385-L389 VanDerWaalsContact O-N 3.16Å; L386-L389 HydrophobicContact CD2-CD1 4.06Å; L386-L389 WeakPolarHBondContact O-CB 3.27Å; L386-L389 PolarHBondContact O-N 3.36Å; L386-L389 VanDerWaalsContact O-N 3.09Å; L389-M392 WeakPolarHBondContact O-CB 3.15Å; L389-M392 PolarHBondContact O-N 2.9Å; L389-E393 WeakPolarHBondContact O-CG 2.74Å; L389-E393 PolarHBondContact O-N 3.44Å |
| 390 | E | 57.2 | Low | 61.4 | Low | 39 Ų | 39 | 81.4 Ų | 81.4 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -71.5 | -42.6 | 176.6 | -74.8 | -166.6 | 156.9 | 0 | 0 | 112.5 | K349 L386 M392 E393 R394 | K349-E390 IonicContact NZ-OE1 2.59Å; L386-E390 PolarHBondContact O-N 2.97Å; E390-M392 PolarHBondContact O-N 3.14Å; E390-E393 PolarHBondContact O-N 3.18Å; E390-E393 VanDerWaalsContact O-N 3.13Å; E390-R394 WeakPolarHBondContact O-CB 3.02Å; E390-R394 WeakPolarHBondContact O-CG 3.42Å; E390-R394 PolarHBondContact O-N 3.01Å; E390-R394 IonicContact OE2-NH2 2.73Å |
| 391 | K | 53.4 | Low | 61.2 | Low | 161 Ų | 161 | 79.7 Ų | 79.7 | 70% | 0.7 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.9 | -36.9 | 172.5 | -89.6 | -174.7 | 174.2 | 179 | 0 | 110.6 | A387 E388 R394 S395 | A387-K391 WeakPolarHBondContact O-CB 3.33Å; A387-K391 WeakPolarHBondContact O-CG 3.46Å; A387-K391 PolarHBondContact O-N 3.45Å; E388-K391 PolarHBondContact O-N 2.86Å; K391-R394 PolarHBondContact O-N 3.45Å; K391-S395 WeakPolarHBondContact O-CA 3.38Å; K391-S395 WeakPolarHBondContact O-CB 3.49Å; K391-S395 PolarHBondContact O-N 2.97Å; K391-S395 PolarHBondContact O-OG 2.86Å; K391-S395 VanDerWaalsContact O-OG 3.06Å |
| 392 | M | 47.7 | Very low | 61.3 | Low | 87 Ų | 87 | 79.7 Ų | 79.7 | 43% | 0.429 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 174.7 | -72.2 | 168.6 | -167.8 | 0 | 0 | 112.4 | E388 L389 E390 R394 S395 | E388-M392 HydrophobicContact CB-CE 4Å; E388-M392 HydrophobicContact CG-CE 4.37Å; E388-M392 WeakPolarHBondContact O-CB 3.39Å; E388-M392 WeakPolarHBondContact O-CG 3.24Å; E388-M392 PolarHBondContact O-N 3.09Å; L389-M392 WeakPolarHBondContact O-CB 3.15Å; L389-M392 PolarHBondContact O-N 2.9Å; E390-M392 PolarHBondContact O-N 3.14Å; M392-R394 VanDerWaalsContact C-N 3.32Å; M392-S395 PolarHBondContact O-OG 3.49Å |
| 393 | E | 51.5 | Low | 61.3 | Low | 103 Ų | 103 | 83.3 Ų | 83.3 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66 | -33.7 | 173.3 | -75.9 | -169.8 | 166 | 0 | 0 | 112.2 | L389 E390 R403 | L389-E393 WeakPolarHBondContact O-CG 2.74Å; L389-E393 PolarHBondContact O-N 3.44Å; E390-E393 PolarHBondContact O-N 3.18Å; E390-E393 VanDerWaalsContact O-N 3.13Å; E393-R403 IonicContact OE1-NH2 2.62Å; E393-R403 PolarHBondContact OE1-NH2 3.03Å; E393-R403 IonicContact OE2-NH2 3.74Å; E393-R403 PolarHBondContact OE2-NH2 3.15Å |
| 394 | R | 50.3 | Low | 61.8 | Low | 167 Ų | 167 | 78.8 Ų | 78.8 | 63% | 0.63 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -86.1 | -33.5 | 179.1 | -67.8 | -178.1 | -168.7 | 179.7 | 7.5 | 113.9 | E390 K391 M392 E396 S397 | E390-R394 WeakPolarHBondContact O-CB 3.02Å; E390-R394 WeakPolarHBondContact O-CG 3.42Å; E390-R394 PolarHBondContact O-N 3.01Å; E390-R394 IonicContact OE2-NH2 2.73Å; K391-R394 PolarHBondContact O-N 3.45Å; M392-R394 VanDerWaalsContact C-N 3.32Å; R394-E396 PolarHBondContact O-N 2.76Å; R394-E396 VanDerWaalsContact O-N 3.12Å; R394-S397 VanDerWaalsContact O-CB 3.3Å; R394-S397 WeakPolarHBondContact O-CB 3.32Å; R394-S397 PolarHBondContact O-N 3.32Å; R394-S397 VanDerWaalsContact O-N 3.12Å; R394-S397 PolarHBondContact O-OG 2.94Å; R394-S397 VanDerWaalsContact O-OG 3.05Å |
| 395 | S | 47.6 | Very low | 62.8 | Low | 92 Ų | 92 | 76 Ų | 76 | 64% | 0.643 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.8 | -174.7 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | K391 M392 | K391-S395 WeakPolarHBondContact O-CA 3.38Å; K391-S395 WeakPolarHBondContact O-CB 3.49Å; K391-S395 PolarHBondContact O-N 2.97Å; K391-S395 PolarHBondContact O-OG 2.86Å; K391-S395 VanDerWaalsContact O-OG 3.06Å; M392-S395 PolarHBondContact O-OG 3.49Å |
| 396 | E | 45.9 | Very low | 64 | Low | 100 Ų | 100 | 72.2 Ų | 72.2 | 47% | 0.467 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 18.1 | 176.5 | -63.1 | -178.6 | 172.2 | 0 | 0 | 112 | R394 D398 | R394-E396 PolarHBondContact O-N 2.76Å; R394-E396 VanDerWaalsContact O-N 3.12Å; E396-D398 PolarHBondContact O-N 2.72Å |
| 397 | S | 48.6 | Very low | 65.5 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | trans | -82.5 | 22.9 | -166 | 77.2 | 0 | 0 | 0 | 0 | 117.8 | R394 D399 | R394-S397 VanDerWaalsContact O-CB 3.3Å; R394-S397 WeakPolarHBondContact O-CB 3.32Å; R394-S397 PolarHBondContact O-N 3.32Å; R394-S397 VanDerWaalsContact O-N 3.12Å; R394-S397 PolarHBondContact O-OG 2.94Å; R394-S397 VanDerWaalsContact O-OG 3.05Å; S397-D399 PolarHBondContact O-N 3.26Å | ||
| 398 | D | 53.9 | Low | 67 | Low | 157 Ų | 157 | 69 Ų | 69 | 84% | 0.84 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.9 | -174 | -145.9 | 19.3 | 0 | 0 | 0 | 115.2 | E396 G400 | E396-D398 PolarHBondContact O-N 2.72Å; D398-G400 VanDerWaalsContact C-N 3.25Å; D398-G400 PolarHBondContact O-N 3.08Å |
| 399 | D | 60.8 | Low | 68.7 | Low | 66 Ų | 66 | 64.3 Ų | 64.3 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 4.3 | -180 | -70.3 | -31.6 | 0 | 0 | 0 | 114.6 | S397 M401 L423 M1069 R1073 | S397-D399 PolarHBondContact O-N 3.26Å; D399-M401 VanDerWaalsContact C-N 3.28Å; D399-M401 HydrophobicContact CB-CG 4.35Å; D399-M401 PolarHBondContact O-N 2.65Å; D399-L423 WeakPolarHBondContact O-CD2 3.41Å; D399-M1069 HydrophobicContact CB-CE 3.85Å; D399-M1069 VanDerWaalsContact CG-CE 3.5Å; D399-M1069 WeakPolarHBondContact OD2-CE 3.43Å; D399-R1073 IonicContact OD2-CZ 2.68Å; D399-R1073 IonicContact OD2-NE 2.76Å; D399-R1073 IonicContact OD2-NH2 3.86Å; D399-R1073 PolarHBondContact OD2-NH2 3.24Å |
| 400 | G | 71.2 | Confident | 70.6 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 37% | 0.371 | 31% | 0.312 | S | S | . | . | trans | 68.7 | 20.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D398 S424 | D398-G400 VanDerWaalsContact C-N 3.25Å; D398-G400 PolarHBondContact O-N 3.08Å; G400-S424 VanDerWaalsContact O-CB 3.31Å; G400-S424 WeakPolarHBondContact O-CB 3.31Å; G400-S424 PolarHBondContact O-N 3.41Å | ||
| 401 | M | 76.7 | Confident | 72.4 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 18% | 0.177 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 142.3 | 177.4 | -70.3 | -178.4 | 170.4 | 0 | 0 | 112.6 | D399 T421 M422 L423 I1066 M1069 | D399-M401 VanDerWaalsContact C-N 3.28Å; D399-M401 HydrophobicContact CB-CG 4.35Å; D399-M401 PolarHBondContact O-N 2.65Å; M401-T421 HydrophobicContact SD-CG2 4.36Å; M401-M422 CarbonylContact C-O 3.58Å; M401-M422 WeakPolarHBondContact CA-O 3.35Å; M401-L423 HydrophobicContact CG-CD2 4.16Å; M401-I1066 HydrophobicContact CE-CG1 4.32Å; M401-M1069 HydrophobicContact CE-CB 4Å; M401-M1069 HydrophobicContact CE-CE 3.26Å; M401-M1069 HydrophobicContact CE-CG 4.25Å; M401-M1069 HydrophobicContact CE-SD 3.24Å; M401-M1069 WeakPolarHBondContact CE-SD 3.21Å; M401-M1069 HydrophobicContact SD-CE 4.37Å |
| 402 | V | 83.8 | Confident | 74.3 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149.1 | 179.4 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | V404 T421 M422 I428 A433 | V402-V404 HydrophobicContact CG2-CG2 4.09Å; V402-T421 WeakPolarHBondContact O-CA 3.24Å; V402-M422 HydrophobicContact CG2-CG 4.08Å; V402-M422 PolarHBondContact N-O 3.4Å; V402-M422 PolarHBondContact O-N 3.34Å; V402-I428 HydrophobicContact CB-CG2 4.46Å; V402-I428 HydrophobicContact CG1-CG2 4.36Å; V402-I428 HydrophobicContact CG2-CG2 4.01Å; V402-A433 HydrophobicContact CB-CB 4.09Å |
| 403 | R | 85.3 | Confident | 76.4 | Confident | 117 Ų | 117 | 50.4 Ų | 50.4 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.4 | 169.1 | -69.9 | -167.9 | -177.2 | 167.1 | 12.1 | 109.3 | E393 P419 D420 A433 | E393-R403 IonicContact OE1-NH2 2.62Å; E393-R403 PolarHBondContact OE1-NH2 3.03Å; E393-R403 IonicContact OE2-NH2 3.74Å; E393-R403 PolarHBondContact OE2-NH2 3.15Å; R403-P419 HydrophobicContact CB-CB 4.11Å; R403-D420 CarbonylContact C-O 3.55Å; R403-D420 WeakPolarHBondContact CA-O 3.47Å; R403-A433 WeakPolarHBondContact O-CB 3.2Å |
| 404 | V | 89.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.5 | -178.2 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | V402 P419 D420 M422 I428 A433 A436 R438 | V402-V404 HydrophobicContact CG2-CG2 4.09Å; V404-P419 CarbonylContact O-C 3.44Å; V404-P419 WeakPolarHBondContact O-CA 3.43Å; V404-D420 PolarHBondContact N-O 3.38Å; V404-D420 PolarHBondContact O-N 2.72Å; V404-M422 HydrophobicContact CB-CE 3.66Å; V404-M422 HydrophobicContact CB-SD 4.34Å; V404-M422 HydrophobicContact CG2-CE 3.76Å; V404-M422 HydrophobicContact CG2-CG 4.27Å; V404-M422 HydrophobicContact CG2-SD 3.86Å; V404-I428 HydrophobicContact CG2-CD1 3.84Å; V404-A433 HydrophobicContact CG2-CB 4.13Å; V404-A436 HydrophobicContact CG1-CB 3.87Å; V404-R438 HydrophobicContact CG1-CG 4.07Å |
| 405 | R | 92.9 | Very high | 80.5 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 147.2 | 176.5 | -69 | 175.3 | -172 | 99.5 | 3.7 | 110.3 | F312 D313 Y316 P419 E434 L437 R438 | F312-R405 VanDerWaalsContact CD1-CZ 3.46Å; F312-R405 VanDerWaalsContact CE1-CZ 3.46Å; D313-R405 IonicContact OD1-CZ 2.87Å; D313-R405 IonicContact OD1-NE 3.09Å; D313-R405 IonicContact OD1-NH2 3.47Å; D313-R405 PolarHBondContact OD1-NH2 2.71Å; Y316-R405 HydrophobicContact CD2-CG 4.22Å; Y316-R405 HydrophobicContact CE1-CG 4.4Å; Y316-R405 HydrophobicContact CE2-CB 3.79Å; Y316-R405 HydrophobicContact CE2-CG 3.87Å; R405-P419 HydrophobicContact CG-CG 4.04Å; R405-E434 IonicContact CZ-OE1 3.53Å; R405-E434 IonicContact CZ-OE2 3.1Å; R405-E434 VanDerWaalsContact CZ-OE2 3.31Å; R405-E434 VanDerWaalsContact NH1-CD 3.35Å; R405-E434 PolarHBondContact NH1-O 2.65Å; R405-E434 IonicContact NH1-OE1 3.24Å; R405-E434 IonicContact NH1-OE2 3.46Å; R405-E434 PolarHBondContact NH1-OE2 2.92Å; R405-E434 IonicContact NH2-OE1 2.72Å; R405-E434 PolarHBondContact NH2-OE1 2.75Å; R405-E434 IonicContact NH2-OE2 3.77Å; R405-E434 PolarHBondContact NH2-OE2 3.06Å; R405-L437 HydrophobicContact CB-CD1 3.84Å; R405-R438 PolarHBondContact O-N 3.34Å |
| 406 | K | 91.8 | Very high | 82.7 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136.6 | -176.3 | 172.8 | 178 | -179 | -178.7 | 0 | 112.2 | Y316 T417 D420 R438 E1054 | Y316-K406 PolarHBondContact OH-N 3.34Å; Y316-K406 PolarHBondContact OH-O 3.19Å; Y316-K406 VanDerWaalsContact OH-O 3.13Å; K406-T417 VanDerWaalsContact CB-OG1 3.32Å; K406-T417 WeakPolarHBondContact CB-OG1 3.41Å; K406-T417 PolarHBondContact O-N 2.5Å; K406-T417 PolarHBondContact O-OG1 3.48Å; K406-D420 WeakPolarHBondContact CD-OD2 3.4Å; K406-D420 IonicContact NZ-OD2 3.56Å; K406-D420 PolarHBondContact NZ-OD2 3.49Å; K406-D420 VanDerWaalsContact NZ-OD2 3.17Å; K406-R438 CarbonylContact C-O 3.48Å; K406-R438 VanDerWaalsContact CA-O 3.24Å; K406-R438 WeakPolarHBondContact CA-O 3.4Å; K406-R438 HydrophobicContact CB-CB 4.17Å; K406-R438 HydrophobicContact CG-CB 4.29Å; K406-E1054 IonicContact NZ-OE1 3.81Å; K406-E1054 PolarHBondContact NZ-OE1 2.66Å; K406-E1054 IonicContact NZ-OE2 2.78Å |
| 407 | V | 94.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 139 | 174.7 | 167.5 | 0 | 0 | 0 | 0 | 110.3 | F409 T414 L415 L416 L437 R438 V439 S440 L471 I473 | V407-F409 HydrophobicContact CG1-CD2 4.07Å; V407-F409 HydrophobicContact CG1-CE2 3.77Å; V407-F409 HydrophobicContact CG1-CZ 4.01Å; V407-T414 HydrophobicContact CG1-CG2 3.66Å; V407-L415 CarbonylContact C-O 3.6Å; V407-L415 WeakPolarHBondContact CA-O 3.27Å; V407-L416 HydrophobicContact CG2-CB 4.34Å; V407-L416 HydrophobicContact CG2-CD1 3.96Å; V407-L416 HydrophobicContact CG2-CG 3.69Å; V407-L437 HydrophobicContact CB-CD1 4.48Å; V407-L437 HydrophobicContact CB-CD2 4.49Å; V407-L437 HydrophobicContact CG2-CD1 3.87Å; V407-L437 HydrophobicContact CG2-CD2 4.13Å; V407-L437 HydrophobicContact CG2-CG 4.39Å; V407-R438 PolarHBondContact N-O 3.29Å; V407-V439 WeakPolarHBondContact O-CA 3.43Å; V407-S440 PolarHBondContact O-N 3.42Å; V407-S440 PolarHBondContact O-OG 3.06Å; V407-L471 HydrophobicContact CB-CD2 4.36Å; V407-L471 HydrophobicContact CG1-CD2 4.03Å; V407-L471 HydrophobicContact CG2-CD2 3.83Å; V407-I473 HydrophobicContact CG2-CD1 4.31Å |
| 408 | V | 92.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 110.7 | 173.2 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | T410 L415 T417 S440 R442 | V408-T410 HydrophobicContact CG1-CG2 4.12Å; V408-L415 HydrophobicContact CB-CB 4.34Å; V408-L415 PolarHBondContact N-O 3.13Å; V408-L415 PolarHBondContact O-N 2.81Å; V408-T417 HydrophobicContact CG2-CG2 3.98Å; V408-S440 CarbonylContact C-O 3.53Å; V408-S440 WeakPolarHBondContact CA-O 3.35Å; V408-R442 HydrophobicContact CG1-CB 3.76Å; V408-R442 HydrophobicContact CG1-CG 3.74Å |
| 409 | F | 94.8 | Very high | 88 | Confident | 7 Ų | 7 | 23.7 Ų | 23.7 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.3 | 168.2 | -70.6 | -79.1 | 0 | 0 | 0 | 109 | V407 T414 V439 S440 F441 R442 P466 L471 | V407-F409 HydrophobicContact CG1-CD2 4.07Å; V407-F409 HydrophobicContact CG1-CE2 3.77Å; V407-F409 HydrophobicContact CG1-CZ 4.01Å; F409-T414 HydrophobicContact CD1-CG2 3.82Å; F409-T414 WeakPolarHBondContact CD1-OG1 3.23Å; F409-T414 HydrophobicContact CE1-CG2 3.39Å; F409-T414 WeakPolarHBondContact CE1-OG1 3.33Å; F409-T414 HydrophobicContact CZ-CG2 3.95Å; F409-V439 HydrophobicContact CD2-CG1 3.45Å; F409-V439 VanDerWaalsContact CD2-CG1 3.45Å; F409-V439 HydrophobicContact CE2-CG1 3.52Å; F409-V439 HydrophobicContact CE2-CG2 4.34Å; F409-S440 PolarHBondContact N-O 3.13Å; F409-F441 HydrophobicContact CB-CD1 3.6Å; F409-F441 HydrophobicContact CB-CE1 3.66Å; F409-F441 HydrophobicContact CB-CG 4.41Å; F409-F441 HydrophobicContact CB-CZ 4.49Å; F409-F441 AromaticContact CD2-CE1 3.98Å; F409-F441 HydrophobicContact CD2-CE1 3.98Å; F409-F441 HydrophobicContact CD2-CZ 4.03Å; F409-F441 HydrophobicContact CG-CD1 4.39Å; F409-F441 AromaticContact CG-CE1 3.97Å; F409-F441 HydrophobicContact CG-CE1 3.97Å; F409-F441 HydrophobicContact CG-CZ 4.47Å; F409-F441 WeakPolarHBondContact O-CA 3.43Å; F409-R442 PolarHBondContact O-N 3.36Å; F409-P466 HydrophobicContact CD1-CB 4.04Å; F409-P466 HydrophobicContact CD1-CG 4.05Å; F409-P466 HydrophobicContact CD2-CB 4.46Å; F409-P466 HydrophobicContact CE1-CB 3.67Å; F409-P466 HydrophobicContact CE1-CG 3.99Å; F409-P466 HydrophobicContact CE2-CB 4.15Å; F409-P466 HydrophobicContact CG-CB 4.42Å; F409-P466 HydrophobicContact CZ-CB 3.74Å; F409-L471 HydrophobicContact CZ-CB 4.47Å; F409-L471 HydrophobicContact CZ-CD1 4.4Å; F409-L471 HydrophobicContact CZ-CD2 4.15Å |
| 410 | T | 93.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | trans | -113.8 | 165.2 | 172.5 | 65.5 | 0 | 0 | 0 | 0 | 109.2 | V408 T412 R413 L415 R442 D444 | V408-T410 HydrophobicContact CG1-CG2 4.12Å; T410-T412 PolarHBondContact O-N 2.84Å; T410-T412 VanDerWaalsContact O-N 3.1Å; T410-R413 PolarHBondContact N-O 2.56Å; T410-R413 WeakPolarHBondContact OG1-CA 3.33Å; T410-R413 WeakPolarHBondContact OG1-CB 3.32Å; T410-R413 PolarHBondContact OG1-N 3.13Å; T410-R413 PolarHBondContact OG1-O 3.22Å; T410-L415 HydrophobicContact CG2-CD1 4.16Å; T410-R442 VanDerWaalsContact CA-O 3.29Å; T410-R442 WeakPolarHBondContact CA-O 3.43Å; T410-D444 WeakPolarHBondContact CB-OD1 3.49Å; T410-D444 PolarHBondContact OG1-OD1 3.44Å | ||
| 411 | P | 93.2 | Very high | 89.1 | Confident | 9 Ų | 9 | 20.1 Ų | 20.1 | 6% | 0.058 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -53.4 | -34.2 | 178.1 | -26.3 | 36.3 | 0 | 0 | 0 | 112.3 | V241 R248 R442 D444 M449 F454 | V241-P411 HydrophobicContact CB-CB 4.26Å; V241-P411 HydrophobicContact CG1-CB 3.7Å; R248-P411 WeakPolarHBondContact CD-O 3.45Å; R248-P411 VanDerWaalsContact CG-O 3.31Å; R248-P411 WeakPolarHBondContact CG-O 3.27Å; R248-P411 PolarHBondContact NH1-O 3.34Å; P411-R442 WeakPolarHBondContact CD-O 3.21Å; P411-D444 WeakPolarHBondContact CD-OD2 3.32Å; P411-M449 HydrophobicContact CG-CE 4.33Å; P411-F454 HydrophobicContact CB-CZ 4.2Å; P411-F454 HydrophobicContact CG-CZ 3.83Å |
| 412 | T | 93.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 18.5 Ų | 18.5 | 3% | 0.025 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -111.4 | -14.9 | -173.6 | 70.4 | 0 | 0 | 0 | 0 | 115.5 | P221 F251 G252 T410 D444 | P221-T412 HydrophobicContact CB-CG2 4.45Å; P221-T412 WeakPolarHBondContact CG-OG1 3.24Å; F251-T412 HydrophobicContact CD1-CG2 3.74Å; F251-T412 HydrophobicContact CE1-CG2 4.11Å; G252-T412 VanDerWaalsContact CA-CB 3.45Å; G252-T412 WeakPolarHBondContact CA-OG1 3.47Å; T410-T412 PolarHBondContact O-N 2.84Å; T410-T412 VanDerWaalsContact O-N 3.1Å; T412-D444 PolarHBondContact OG1-OD1 3.19Å |
| 413 | R | 92.8 | Very high | 88.9 | Confident | 35 Ų | 35 | 17.9 Ų | 17.9 | 13% | 0.132 | 9% | 0.089 | C | C | . | . | trans | -145.1 | 156.5 | -172.8 | -64.2 | 176 | -72.8 | 177.9 | 9.8 | 113.6 | P221 G252 T410 L415 | P221-R413 VanDerWaalsContact CD-CZ 3.47Å; G252-R413 WeakPolarHBondContact O-CD 3.17Å; T410-R413 PolarHBondContact N-O 2.56Å; T410-R413 WeakPolarHBondContact OG1-CA 3.33Å; T410-R413 WeakPolarHBondContact OG1-CB 3.32Å; T410-R413 PolarHBondContact OG1-N 3.13Å; T410-R413 PolarHBondContact OG1-O 3.22Å; R413-L415 HydrophobicContact CB-CD2 4.03Å; R413-L415 HydrophobicContact CB-CG 4.23Å | ||
| 414 | T | 94.7 | Very high | 88.8 | Confident | 42 Ų | 42 | 12.6 Ų | 12.6 | 26% | 0.258 | 7% | 0.069 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 103 | 168.9 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | S323 V407 F409 L416 L471 | S323-T414 WeakPolarHBondContact CB-O 3.26Å; V407-T414 HydrophobicContact CG1-CG2 3.66Å; F409-T414 HydrophobicContact CD1-CG2 3.82Å; F409-T414 WeakPolarHBondContact CD1-OG1 3.23Å; F409-T414 HydrophobicContact CE1-CG2 3.39Å; F409-T414 WeakPolarHBondContact CE1-OG1 3.33Å; F409-T414 HydrophobicContact CZ-CG2 3.95Å; T414-L416 HydrophobicContact CG2-CD1 4.44Å; T414-L471 HydrophobicContact CG2-CD1 4.18Å; T414-L471 HydrophobicContact CG2-CD2 4.28Å |
| 415 | L | 93.4 | Very high | 88.7 | Confident | 5 Ų | 5 | 12.6 Ų | 12.6 | 3% | 0.026 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 111.9 | -171.6 | -58.3 | 175 | 0 | 0 | 0 | 111.2 | S323 V407 V408 T410 R413 L1050 | S323-L415 VanDerWaalsContact O-CD2 3.29Å; S323-L415 WeakPolarHBondContact O-CD2 3.38Å; V407-L415 CarbonylContact C-O 3.6Å; V407-L415 WeakPolarHBondContact CA-O 3.27Å; V408-L415 HydrophobicContact CB-CB 4.34Å; V408-L415 PolarHBondContact N-O 3.13Å; V408-L415 PolarHBondContact O-N 2.81Å; T410-L415 HydrophobicContact CG2-CD1 4.16Å; R413-L415 HydrophobicContact CB-CD2 4.03Å; R413-L415 HydrophobicContact CB-CG 4.23Å; L415-L1050 HydrophobicContact CB-CD1 4.26Å; L415-L1050 HydrophobicContact CD1-CD1 4.14Å; L415-L1050 HydrophobicContact CD1-CD2 4.22Å |
| 416 | L | 94 | Very high | 88.5 | Confident | 9 Ų | 9 | 12.7 Ų | 12.7 | 5% | 0.047 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 138.2 | 168.5 | -71.6 | 62.2 | 0 | 0 | 0 | 109 | Y316 C319 A320 R324 V407 T414 I473 | Y316-L416 HydrophobicContact CD2-CD2 3.85Å; Y316-L416 HydrophobicContact CE2-CB 4.22Å; Y316-L416 HydrophobicContact CE2-CD2 3.78Å; Y316-L416 HydrophobicContact CE2-CG 4.08Å; Y316-L416 HydrophobicContact CG-CD2 4.43Å; C319-L416 HydrophobicContact CB-CD2 3.64Å; A320-L416 HydrophobicContact CB-CB 3.61Å; A320-L416 HydrophobicContact CB-CD2 4.47Å; R324-L416 PolarHBondContact NH1-O 2.86Å; R324-L416 PolarHBondContact NH2-O 2.87Å; V407-L416 HydrophobicContact CG2-CB 4.34Å; V407-L416 HydrophobicContact CG2-CD1 3.96Å; V407-L416 HydrophobicContact CG2-CG 3.69Å; T414-L416 HydrophobicContact CG2-CD1 4.44Å; L416-I473 HydrophobicContact CD2-CD1 3.87Å; L416-I473 HydrophobicContact CD2-CG1 4.15Å; L416-I473 HydrophobicContact CD2-CG2 3.82Å; L416-I473 HydrophobicContact CG-CD1 4.18Å |
| 417 | T | 87.9 | Confident | 88.5 | Confident | 14 Ų | 14 | 12.3 Ų | 12.3 | 9% | 0.086 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 164.3 | -172.7 | 67 | 0 | 0 | 0 | 0 | 111.7 | Y316 K406 V408 L1050 | Y316-T417 WeakPolarHBondContact CE1-O 3.34Å; Y316-T417 VanDerWaalsContact CZ-O 3.3Å; Y316-T417 PolarHBondContact OH-N 3.32Å; Y316-T417 PolarHBondContact OH-O 3.14Å; K406-T417 VanDerWaalsContact CB-OG1 3.32Å; K406-T417 WeakPolarHBondContact CB-OG1 3.41Å; K406-T417 PolarHBondContact O-N 2.5Å; K406-T417 PolarHBondContact O-OG1 3.48Å; V408-T417 HydrophobicContact CG2-CG2 3.98Å; T417-L1050 HydrophobicContact CG2-CD1 3.66Å |
| 418 | V | 84.2 | Confident | 88.3 | Confident | 42 Ų | 42 | 12.5 Ų | 12.5 | 26% | 0.255 | 7% | 0.069 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 138.1 | 170.1 | -178.4 | 0 | 0 | 0 | 0 | 109 | L359 D420 | L359-V418 HydrophobicContact CD2-CG2 4.04Å; V418-D420 PolarHBondContact O-N 2.97Å |
| 419 | P | 86.1 | Confident | 88.1 | Confident | 17 Ų | 17 | 16.2 Ų | 16.2 | 11% | 0.11 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 127.8 | 179.9 | -28.6 | 35.3 | 0 | 0 | 0 | 113.4 | R403 V404 R405 | R403-P419 HydrophobicContact CB-CB 4.11Å; V404-P419 CarbonylContact O-C 3.44Å; V404-P419 WeakPolarHBondContact O-CA 3.43Å; R405-P419 HydrophobicContact CG-CG 4.04Å |
| 420 | D | 79.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 22.2 Ų | 22.2 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129 | 178.2 | -89.6 | -18 | 0 | 0 | 0 | 109.7 | R403 V404 K406 V418 M422 R438 R1049 | R403-D420 CarbonylContact C-O 3.55Å; R403-D420 WeakPolarHBondContact CA-O 3.47Å; V404-D420 PolarHBondContact N-O 3.38Å; V404-D420 PolarHBondContact O-N 2.72Å; K406-D420 WeakPolarHBondContact CD-OD2 3.4Å; K406-D420 IonicContact NZ-OD2 3.56Å; K406-D420 PolarHBondContact NZ-OD2 3.49Å; K406-D420 VanDerWaalsContact NZ-OD2 3.17Å; V418-D420 PolarHBondContact O-N 2.97Å; D420-M422 HydrophobicContact CB-CE 3.67Å; D420-R438 IonicContact OD2-NH1 2.74Å; D420-R438 PolarHBondContact OD2-NH1 2.99Å; D420-R1049 IonicContact OD1-CZ 3.21Å; D420-R1049 IonicContact OD1-NE 3.14Å; D420-R1049 IonicContact OD1-NH2 3.67Å |
| 421 | T | 77.7 | Confident | 87.9 | Confident | 14 Ų | 14 | 22.4 Ų | 22.4 | 9% | 0.086 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 131 | 165.5 | -58 | 0 | 0 | 0 | 0 | 109.1 | M401 V402 I1066 | M401-T421 HydrophobicContact SD-CG2 4.36Å; V402-T421 WeakPolarHBondContact O-CA 3.24Å; T421-I1066 HydrophobicContact CG2-CG2 4.14Å; T421-I1066 WeakPolarHBondContact O-CD1 3.27Å |
| 422 | M | 78 | Confident | 87.8 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 167.7 | 177.3 | 69.3 | -167.1 | 73.2 | 0 | 0 | 112.2 | M401 V402 V404 D420 R438 | M401-M422 CarbonylContact C-O 3.58Å; M401-M422 WeakPolarHBondContact CA-O 3.35Å; V402-M422 HydrophobicContact CG2-CG 4.08Å; V402-M422 PolarHBondContact N-O 3.4Å; V402-M422 PolarHBondContact O-N 3.34Å; V404-M422 HydrophobicContact CB-CE 3.66Å; V404-M422 HydrophobicContact CB-SD 4.34Å; V404-M422 HydrophobicContact CG2-CE 3.76Å; V404-M422 HydrophobicContact CG2-CG 4.27Å; V404-M422 HydrophobicContact CG2-SD 3.86Å; D420-M422 HydrophobicContact CB-CE 3.67Å; M422-R438 VanDerWaalsContact CE-CD 3.41Å |
| 423 | L | 78.1 | Confident | 87.7 | Confident | 20 Ų | 20 | 23.9 Ų | 23.9 | 11% | 0.105 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 140.5 | 166.4 | -70.1 | 173.2 | 0 | 0 | 0 | 110.1 | D399 M401 Q534 L536 | D399-L423 WeakPolarHBondContact O-CD2 3.41Å; M401-L423 HydrophobicContact CG-CD2 4.16Å; L423-Q534 HydrophobicContact CB-CB 4.04Å; L423-Q534 HydrophobicContact CB-CG 4.41Å; L423-Q534 WeakPolarHBondContact O-CG 3.31Å; L423-L536 HydrophobicContact CD2-CD2 4.22Å |
| 424 | S | 83.3 | Confident | 87.7 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | trans | -67.4 | 158.6 | 179.7 | -160.6 | 0 | 0 | 0 | 0 | 112 | G400 R429 S535 | G400-S424 VanDerWaalsContact O-CB 3.31Å; G400-S424 WeakPolarHBondContact O-CB 3.31Å; G400-S424 PolarHBondContact O-N 3.41Å; S424-R429 VanDerWaalsContact OG-CG 3.29Å; S424-R429 WeakPolarHBondContact OG-CG 3.5Å; S424-S535 PolarHBondContact O-N 3.48Å | ||
| 425 | N | 87.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -124.2 | 173.4 | 172.7 | 67.7 | 48.2 | 0 | 0 | 0 | 109.6 | V427 I428 R429 Y494 T533 | N425-V427 VanDerWaalsContact C-N 3.31Å; N425-V427 PolarHBondContact O-N 3.39Å; N425-V427 PolarHBondContact OD1-N 2.77Å; N425-V427 VanDerWaalsContact OD1-N 3.12Å; N425-I428 VanDerWaalsContact ND2-CD1 3.33Å; N425-I428 WeakPolarHBondContact ND2-CD1 3.47Å; N425-I428 PolarHBondContact O-N 2.7Å; N425-I428 WeakPolarHBondContact OD1-CG1 3.42Å; N425-I428 PolarHBondContact OD1-N 3.19Å; N425-R429 WeakPolarHBondContact O-CB 3.27Å; N425-R429 WeakPolarHBondContact O-CG 3.37Å; N425-R429 PolarHBondContact O-N 2.69Å; N425-Y494 PolarHBondContact ND2-OH 2.85Å; N425-T533 WeakPolarHBondContact CB-O 3.37Å | ||
| 426 | R | 88.6 | Confident | 87.9 | Confident | 13 Ų | 13 | 26 Ų | 26 | 5% | 0.049 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.6 | -43.4 | -173.1 | -164 | -175 | -69.1 | -178 | -7.1 | 112.8 | R430 W511 C531 A601 E637 | R426-R430 PolarHBondContact O-N 3.06Å; R426-W511 HydrophobicContact CG-CH2 3.83Å; R426-C531 HydrophobicContact CB-CB 4.43Å; R426-C531 WeakPolarHBondContact CB-O 3.46Å; R426-C531 PolarHBondContact N-O 2.78Å; R426-A601 PolarHBondContact NH1-O 3.29Å; R426-A601 PolarHBondContact NH2-O 2.85Å; R426-E637 WeakPolarHBondContact CB-OE1 3.49Å; R426-E637 VanDerWaalsContact CG-OE1 3.27Å; R426-E637 WeakPolarHBondContact CG-OE1 3.32Å; R426-E637 IonicContact CZ-OE1 3.03Å; R426-E637 IonicContact CZ-OE2 2.72Å; R426-E637 VanDerWaalsContact CZ-OE2 3.24Å; R426-E637 VanDerWaalsContact NE-CD 3.32Å; R426-E637 IonicContact NE-OE1 3.19Å; R426-E637 PolarHBondContact NE-OE1 2.82Å; R426-E637 IonicContact NE-OE2 3.95Å; R426-E637 PolarHBondContact NE-OE2 3.37Å; R426-E637 IonicContact NH2-OE2 2.97Å; R426-E637 PolarHBondContact NH2-OE2 2.75Å |
| 427 | V | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -49.1 | 178.9 | -178 | 0 | 0 | 0 | 0 | 110.5 | N425 R429 R430 F431 L481 Y496 I508 W511 M512 C531 F532 | N425-V427 VanDerWaalsContact C-N 3.31Å; N425-V427 PolarHBondContact O-N 3.39Å; N425-V427 PolarHBondContact OD1-N 2.77Å; N425-V427 VanDerWaalsContact OD1-N 3.12Å; V427-R429 VanDerWaalsContact C-N 3.33Å; V427-R429 PolarHBondContact O-N 3Å; V427-R430 PolarHBondContact O-N 3.07Å; V427-R430 VanDerWaalsContact O-N 3.16Å; V427-F431 HydrophobicContact CG1-CD2 3.83Å; V427-F431 HydrophobicContact CG1-CE2 4.43Å; V427-F431 WeakPolarHBondContact O-CD2 3.14Å; V427-F431 PolarHBondContact O-N 2.98Å; V427-L481 HydrophobicContact CG1-CD2 4.18Å; V427-Y496 HydrophobicContact CG1-CE2 3.86Å; V427-I508 HydrophobicContact CG1-CG2 3.97Å; V427-W511 HydrophobicContact CG2-CZ3 4.24Å; V427-M512 HydrophobicContact CG2-CE 3.53Å; V427-C531 HydrophobicContact CG2-CB 3.72Å; V427-F532 HydrophobicContact CB-CD1 4.35Å; V427-F532 HydrophobicContact CB-CE1 4.23Å; V427-F532 HydrophobicContact CG1-CE1 4.41Å; V427-F532 HydrophobicContact CG2-CD1 3.87Å; V427-F532 HydrophobicContact CG2-CE1 3.69Å |
| 428 | I | 91.2 | Very high | 88.3 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | -178.2 | -65.2 | 174.2 | 0 | 0 | 0 | 111.4 | V402 V404 N425 R430 G432 A433 Y494 | V402-I428 HydrophobicContact CB-CG2 4.46Å; V402-I428 HydrophobicContact CG1-CG2 4.36Å; V402-I428 HydrophobicContact CG2-CG2 4.01Å; V404-I428 HydrophobicContact CG2-CD1 3.84Å; N425-I428 VanDerWaalsContact ND2-CD1 3.33Å; N425-I428 WeakPolarHBondContact ND2-CD1 3.47Å; N425-I428 PolarHBondContact O-N 2.7Å; N425-I428 WeakPolarHBondContact OD1-CG1 3.42Å; N425-I428 PolarHBondContact OD1-N 3.19Å; I428-R430 VanDerWaalsContact C-N 3.33Å; I428-R430 PolarHBondContact O-N 3.48Å; I428-G432 CarbonylContact O-C 3.59Å; I428-G432 WeakPolarHBondContact O-CA 3.31Å; I428-G432 PolarHBondContact O-N 3.39Å; I428-A433 HydrophobicContact CG2-CB 3.64Å; I428-Y494 HydrophobicContact CD1-CE1 4.04Å |
| 429 | R | 88.5 | Confident | 88.8 | Confident | 81 Ų | 81 | 25 Ų | 25 | 31% | 0.306 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 174 | -77.5 | -171.3 | -98.5 | 114.7 | 5.4 | 112.3 | S424 N425 V427 S535 E637 | S424-R429 VanDerWaalsContact OG-CG 3.29Å; S424-R429 WeakPolarHBondContact OG-CG 3.5Å; N425-R429 WeakPolarHBondContact O-CB 3.27Å; N425-R429 WeakPolarHBondContact O-CG 3.37Å; N425-R429 PolarHBondContact O-N 2.69Å; V427-R429 VanDerWaalsContact C-N 3.33Å; V427-R429 PolarHBondContact O-N 3Å; R429-S535 PolarHBondContact NH2-OG 3.25Å; R429-E637 IonicContact CZ-OE1 2.66Å; R429-E637 IonicContact NH1-OE1 3.22Å; R429-E637 PolarHBondContact NH1-OE1 2.93Å; R429-E637 IonicContact NH2-OE1 2.84Å; R429-E637 PolarHBondContact NH2-OE1 2.72Å |
| 430 | R | 89.4 | Confident | 89.1 | Confident | 132 Ų | 132 | 24.4 Ų | 24.4 | 50% | 0.498 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -79.4 | -49.9 | -177.9 | 175.3 | 65.3 | -177.4 | 103.8 | 6.6 | 113.4 | R426 V427 I428 E503 W511 | R426-R430 PolarHBondContact O-N 3.06Å; V427-R430 PolarHBondContact O-N 3.07Å; V427-R430 VanDerWaalsContact O-N 3.16Å; I428-R430 VanDerWaalsContact C-N 3.33Å; I428-R430 PolarHBondContact O-N 3.48Å; R430-E503 IonicContact NH2-OE1 2.75Å; R430-W511 HydrophobicContact CB-CH2 3.56Å; R430-W511 HydrophobicContact CB-CZ2 3.5Å; R430-W511 HydrophobicContact CB-CZ3 4.44Å; R430-W511 HydrophobicContact CG-CD2 4.4Å; R430-W511 HydrophobicContact CG-CH2 3.95Å; R430-W511 HydrophobicContact CG-CZ2 3.47Å; R430-W511 VanDerWaalsContact CG-CZ2 3.47Å |
| 431 | F | 93.5 | Very high | 89.8 | Confident | 9 Ų | 9 | 23.9 Ų | 23.9 | 4% | 0.039 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -99.6 | -12.9 | -170.1 | -61.7 | -75.4 | 0 | 0 | 0 | 113.1 | V427 Y496 T499 E503 I508 W511 | V427-F431 HydrophobicContact CG1-CD2 3.83Å; V427-F431 HydrophobicContact CG1-CE2 4.43Å; V427-F431 WeakPolarHBondContact O-CD2 3.14Å; V427-F431 PolarHBondContact O-N 2.98Å; F431-Y496 HydrophobicContact CB-CE1 3.75Å; F431-T499 HydrophobicContact CB-CG2 4.31Å; F431-T499 HydrophobicContact CD1-CG2 4.28Å; F431-E503 WeakPolarHBondContact CD1-OE2 3.19Å; F431-E503 HydrophobicContact CE1-CB 4.5Å; F431-E503 WeakPolarHBondContact CE1-OE1 3.44Å; F431-I508 HydrophobicContact CD1-CG1 4.06Å; F431-I508 HydrophobicContact CD2-CD1 4.47Å; F431-I508 HydrophobicContact CD2-CG1 4.1Å; F431-I508 HydrophobicContact CD2-CG2 4.08Å; F431-I508 HydrophobicContact CE1-CG1 3.89Å; F431-I508 HydrophobicContact CE2-CB 4.17Å; F431-I508 HydrophobicContact CE2-CG1 3.94Å; F431-I508 HydrophobicContact CE2-CG2 3.72Å; F431-I508 HydrophobicContact CG-CD1 4.34Å; F431-I508 HydrophobicContact CG-CG1 4.16Å; F431-I508 HydrophobicContact CZ-CB 4.23Å; F431-I508 HydrophobicContact CZ-CG1 3.83Å; F431-I508 HydrophobicContact CZ-CG2 4.27Å; F431-W511 HydrophobicContact CD2-CE3 4.5Å; F431-W511 HydrophobicContact CD2-CZ3 4.44Å; F431-W511 AromaticContact CE2-CD2 3.65Å; F431-W511 HydrophobicContact CE2-CD2 3.65Å; F431-W511 AromaticContact CE2-CE3 3.38Å; F431-W511 HydrophobicContact CE2-CE3 3.38Å; F431-W511 HydrophobicContact CE2-CG 4.16Å; F431-W511 HydrophobicContact CE2-CH2 4.22Å; F431-W511 AromaticContact CE2-CZ3 3.68Å; F431-W511 HydrophobicContact CE2-CZ3 3.68Å; F431-W511 HydrophobicContact CZ-CB 3.91Å; F431-W511 AromaticContact CZ-CD2 3.7Å; F431-W511 HydrophobicContact CZ-CD2 3.7Å; F431-W511 AromaticContact CZ-CE3 3.89Å; F431-W511 HydrophobicContact CZ-CE3 3.89Å; F431-W511 AromaticContact CZ-CG 3.71Å; F431-W511 HydrophobicContact CZ-CG 3.71Å |
| 432 | G | 91.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 25% | 0.247 | 11% | 0.107 | C | C | . | . | trans | 92.4 | 143.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I428 E434 Y496 | I428-G432 CarbonylContact O-C 3.59Å; I428-G432 WeakPolarHBondContact O-CA 3.31Å; I428-G432 PolarHBondContact O-N 3.39Å; G432-E434 PolarHBondContact O-N 2.75Å; G432-Y496 PolarHBondContact O-OH 3.04Å | ||
| 433 | A | 92 | Very high | 90.9 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 16% | 0.157 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -70.4 | -22.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V402 R403 V404 I428 W435 A436 | V402-A433 HydrophobicContact CB-CB 4.09Å; R403-A433 WeakPolarHBondContact O-CB 3.2Å; V404-A433 HydrophobicContact CG2-CB 4.13Å; I428-A433 HydrophobicContact CG2-CB 3.64Å; A433-W435 VanDerWaalsContact C-N 3.26Å; A433-W435 PolarHBondContact O-N 3.43Å; A433-A436 PolarHBondContact O-N 3.06Å |
| 434 | E | 92.7 | Very high | 91.5 | Very high | 71 Ų | 71 | 23.8 Ų | 23.8 | 33% | 0.332 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -62.7 | -30.8 | -177.8 | 174.8 | 56.2 | -164.2 | 0 | 0 | 113.2 | R405 G432 R476 | R405-E434 IonicContact CZ-OE1 3.53Å; R405-E434 IonicContact CZ-OE2 3.1Å; R405-E434 VanDerWaalsContact CZ-OE2 3.31Å; R405-E434 VanDerWaalsContact NH1-CD 3.35Å; R405-E434 PolarHBondContact NH1-O 2.65Å; R405-E434 IonicContact NH1-OE1 3.24Å; R405-E434 IonicContact NH1-OE2 3.46Å; R405-E434 PolarHBondContact NH1-OE2 2.92Å; R405-E434 IonicContact NH2-OE1 2.72Å; R405-E434 PolarHBondContact NH2-OE1 2.75Å; R405-E434 IonicContact NH2-OE2 3.77Å; R405-E434 PolarHBondContact NH2-OE2 3.06Å; G432-E434 PolarHBondContact O-N 2.75Å; E434-R476 PolarHBondContact O-NH1 3.45Å; E434-R476 VanDerWaalsContact O-NH1 3.1Å; E434-R476 IonicContact OE1-CZ 2.78Å; E434-R476 VanDerWaalsContact OE1-CZ 3.22Å; E434-R476 IonicContact OE1-NH1 3.93Å; E434-R476 PolarHBondContact OE1-NH1 3.3Å; E434-R476 IonicContact OE1-NH2 2.74Å; E434-R476 PolarHBondContact OE1-NH2 3.32Å |
| 435 | W | 95.6 | Very high | 91.6 | Very high | 57 Ų | 57 | 26.6 Ų | 26.6 | 22% | 0.216 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -99.9 | -3.1 | -177.7 | -43.6 | 98.4 | 0 | 0 | 0 | 112.7 | A433 Y478 Y496 C497 T499 A500 | A433-W435 VanDerWaalsContact C-N 3.26Å; A433-W435 PolarHBondContact O-N 3.43Å; W435-Y478 WeakPolarHBondContact O-CE1 3.11Å; W435-Y496 HydrophobicContact CB-CD1 3.99Å; W435-Y496 HydrophobicContact CB-CE1 3.92Å; W435-Y496 WeakPolarHBondContact O-CA 3.24Å; W435-Y496 WeakPolarHBondContact O-CD1 3.48Å; W435-C497 PolarHBondContact O-N 3.01Å; W435-C497 VanDerWaalsContact O-N 3.13Å; W435-C497 PolarHBondContact O-SG 2.79Å; W435-T499 HydrophobicContact CB-CG2 4.5Å; W435-T499 HydrophobicContact CG-CG2 4.35Å; W435-A500 HydrophobicContact CH2-CB 4.12Å; W435-A500 HydrophobicContact CZ2-CB 3.67Å |
| 436 | A | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | V404 A433 Y496 | V404-A436 HydrophobicContact CG1-CB 3.87Å; A433-A436 PolarHBondContact O-N 3.06Å; A436-Y496 HydrophobicContact CB-CD2 4.17Å; A436-Y496 HydrophobicContact CB-CE1 4.28Å; A436-Y496 HydrophobicContact CB-CE2 3.49Å; A436-Y496 VanDerWaalsContact CB-CE2 3.49Å |
| 437 | L | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.3 | 170.6 | -177.2 | 71 | 0 | 0 | 0 | 109.6 | R405 V407 V439 L471 I473 Y478 F495 | R405-L437 HydrophobicContact CB-CD1 3.84Å; V407-L437 HydrophobicContact CB-CD1 4.48Å; V407-L437 HydrophobicContact CB-CD2 4.49Å; V407-L437 HydrophobicContact CG2-CD1 3.87Å; V407-L437 HydrophobicContact CG2-CD2 4.13Å; V407-L437 HydrophobicContact CG2-CG 4.39Å; L437-V439 HydrophobicContact CD2-CG2 4.2Å; L437-V439 HydrophobicContact CG-CG2 4.24Å; L437-L471 HydrophobicContact CD2-CD2 4.05Å; L437-I473 HydrophobicContact CD1-CD1 4.31Å; L437-I473 HydrophobicContact CD2-CD1 4.14Å; L437-Y478 HydrophobicContact CB-CD1 3.42Å; L437-Y478 VanDerWaalsContact CB-CD1 3.42Å; L437-Y478 HydrophobicContact CB-CE1 3.71Å; L437-Y478 HydrophobicContact CB-CG 4.05Å; L437-Y478 HydrophobicContact CD2-CD1 4.13Å; L437-Y478 HydrophobicContact CD2-CD2 4.23Å; L437-Y478 HydrophobicContact CD2-CG 3.86Å; L437-Y478 HydrophobicContact CG-CD1 4.37Å; L437-F495 HydrophobicContact CB-CB 4.13Å; L437-F495 HydrophobicContact CD2-CB 4.46Å; L437-F495 PolarHBondContact N-O 2.81Å; L437-F495 PolarHBondContact O-N 2.81Å |
| 438 | R | 93.7 | Very high | 90.6 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 134 | 169.2 | -77.1 | -175.2 | 71.3 | -162.5 | 0.8 | 109.8 | V404 R405 K406 V407 D420 M422 Y494 | V404-R438 HydrophobicContact CG1-CG 4.07Å; R405-R438 PolarHBondContact O-N 3.34Å; K406-R438 CarbonylContact C-O 3.48Å; K406-R438 VanDerWaalsContact CA-O 3.24Å; K406-R438 WeakPolarHBondContact CA-O 3.4Å; K406-R438 HydrophobicContact CB-CB 4.17Å; K406-R438 HydrophobicContact CG-CB 4.29Å; V407-R438 PolarHBondContact N-O 3.29Å; D420-R438 IonicContact OD2-NH1 2.74Å; D420-R438 PolarHBondContact OD2-NH1 2.99Å; M422-R438 VanDerWaalsContact CE-CD 3.41Å; R438-Y494 HydrophobicContact CG-CD1 3.9Å; R438-Y494 HydrophobicContact CG-CE1 3.34Å |
| 439 | V | 95 | Very high | 90.3 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.2 | 179.6 | 175.6 | 0 | 0 | 0 | 0 | 109.2 | V407 F409 L437 F441 G492 C493 F495 | V407-V439 WeakPolarHBondContact O-CA 3.43Å; F409-V439 HydrophobicContact CD2-CG1 3.45Å; F409-V439 VanDerWaalsContact CD2-CG1 3.45Å; F409-V439 HydrophobicContact CE2-CG1 3.52Å; F409-V439 HydrophobicContact CE2-CG2 4.34Å; L437-V439 HydrophobicContact CD2-CG2 4.2Å; L437-V439 HydrophobicContact CG-CG2 4.24Å; V439-F441 HydrophobicContact CG1-CE2 3.89Å; V439-F441 HydrophobicContact CG1-CZ 4.26Å; V439-G492 CarbonylContact O-C 3.55Å; V439-G492 WeakPolarHBondContact O-CA 3.37Å; V439-C493 PolarHBondContact N-O 2.97Å; V439-C493 PolarHBondContact O-N 2.79Å; V439-F495 HydrophobicContact CB-CD1 3.98Å; V439-F495 HydrophobicContact CB-CE1 4Å; V439-F495 HydrophobicContact CG1-CE1 4.13Å; V439-F495 HydrophobicContact CG2-CB 4.23Å; V439-F495 HydrophobicContact CG2-CD1 3.45Å; V439-F495 VanDerWaalsContact CG2-CD1 3.45Å; V439-F495 HydrophobicContact CG2-CD2 4.2Å; V439-F495 HydrophobicContact CG2-CE1 3.76Å; V439-F495 HydrophobicContact CG2-CE2 4.44Å; V439-F495 HydrophobicContact CG2-CG 3.72Å; V439-F495 HydrophobicContact CG2-CZ 4.25Å |
| 440 | S | 92.4 | Very high | 90 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.6 | 174.5 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | V407 V408 F409 G491 | V407-S440 PolarHBondContact O-N 3.42Å; V407-S440 PolarHBondContact O-OG 3.06Å; V408-S440 CarbonylContact C-O 3.53Å; V408-S440 WeakPolarHBondContact CA-O 3.35Å; F409-S440 PolarHBondContact N-O 3.13Å; S440-G491 CarbonylContact C-O 3.58Å; S440-G491 WeakPolarHBondContact CA-O 3.31Å |
| 441 | F | 93.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.7 | 178.7 | -67.4 | -89.9 | 0 | 0 | 0 | 109.8 | F409 V439 M449 L463 L467 G491 F890 L894 | F409-F441 HydrophobicContact CB-CD1 3.6Å; F409-F441 HydrophobicContact CB-CE1 3.66Å; F409-F441 HydrophobicContact CB-CG 4.41Å; F409-F441 HydrophobicContact CB-CZ 4.49Å; F409-F441 AromaticContact CD2-CE1 3.98Å; F409-F441 HydrophobicContact CD2-CE1 3.98Å; F409-F441 HydrophobicContact CD2-CZ 4.03Å; F409-F441 HydrophobicContact CG-CD1 4.39Å; F409-F441 AromaticContact CG-CE1 3.97Å; F409-F441 HydrophobicContact CG-CE1 3.97Å; F409-F441 HydrophobicContact CG-CZ 4.47Å; F409-F441 WeakPolarHBondContact O-CA 3.43Å; V439-F441 HydrophobicContact CG1-CE2 3.89Å; V439-F441 HydrophobicContact CG1-CZ 4.26Å; F441-M449 HydrophobicContact CB-CE 3.99Å; F441-M449 HydrophobicContact CB-SD 4.29Å; F441-M449 HydrophobicContact CD1-CE 4.39Å; F441-L463 HydrophobicContact CB-CD2 4.27Å; F441-L463 HydrophobicContact CD1-CD2 3.25Å; F441-L463 HydrophobicContact CE1-CD2 3.69Å; F441-L463 HydrophobicContact CG-CD2 3.86Å; F441-L467 HydrophobicContact CE2-CD1 4.45Å; F441-L467 HydrophobicContact CE2-CD2 3.97Å; F441-L467 HydrophobicContact CE2-CG 4.27Å; F441-L467 HydrophobicContact CZ-CD1 4.21Å; F441-L467 HydrophobicContact CZ-CD2 3.96Å; F441-L467 HydrophobicContact CZ-CG 3.83Å; F441-G491 PolarHBondContact N-O 3.38Å; F441-F890 AromaticContact CD2-CE1 3.69Å; F441-F890 HydrophobicContact CD2-CE1 3.69Å; F441-F890 HydrophobicContact CD2-CZ 4.09Å; F441-F890 AromaticContact CE2-CE1 3.7Å; F441-F890 HydrophobicContact CE2-CE1 3.7Å; F441-F890 HydrophobicContact CE2-CZ 4.25Å; F441-L894 HydrophobicContact CB-CD1 4.41Å |
| 442 | R | 90.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -131.5 | 157.3 | -175.9 | -66.1 | -68.4 | 176.1 | -85.5 | -5.6 | 111.3 | V408 F409 T410 P411 G447 M449 D490 S1051 | V408-R442 HydrophobicContact CG1-CB 3.76Å; V408-R442 HydrophobicContact CG1-CG 3.74Å; F409-R442 PolarHBondContact O-N 3.36Å; T410-R442 VanDerWaalsContact CA-O 3.29Å; T410-R442 WeakPolarHBondContact CA-O 3.43Å; P411-R442 WeakPolarHBondContact CD-O 3.21Å; R442-G447 WeakPolarHBondContact CA-O 3.16Å; R442-G447 VanDerWaalsContact CD-O 3.29Å; R442-G447 WeakPolarHBondContact CD-O 3.39Å; R442-M449 WeakPolarHBondContact O-CE 3.36Å; R442-D490 IonicContact CZ-OD1 2.83Å; R442-D490 PolarHBondContact NH1-O 3.27Å; R442-D490 PolarHBondContact NH2-O 2.75Å; R442-D490 IonicContact NH2-OD1 3.38Å; R442-D490 PolarHBondContact NH2-OD1 2.87Å; R442-D490 IonicContact NH2-OD2 2.67Å; R442-D490 PolarHBondContact NH2-OD2 3.06Å; R442-S1051 PolarHBondContact NE-OG 3.35Å; R442-S1051 PolarHBondContact NH2-OG 2.95Å |
| 443 | S | 89.3 | Confident | 89 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 13% | 0.126 | 17% | 0.174 | C | C | . | . | trans | -65.9 | 159.3 | 163.3 | -73.7 | 0 | 0 | 0 | 0 | 110.5 | N445 G446 G447 R448 | S443-N445 VanDerWaalsContact CB-OD1 3.25Å; S443-N445 WeakPolarHBondContact CB-OD1 3.32Å; S443-N445 PolarHBondContact O-N 3.02Å; S443-G446 WeakPolarHBondContact O-CA 3.45Å; S443-G446 PolarHBondContact O-N 3.33Å; S443-G447 PolarHBondContact N-O 3.46Å; S443-R448 PolarHBondContact OG-O 2.9Å | ||
| 444 | D | 89.5 | Confident | 88.8 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -26.6 | -179.8 | -72.9 | -66.5 | 0 | 0 | 0 | 114.3 | Y220 P221 T410 P411 T412 G446 | Y220-D444 WeakPolarHBondContact CB-O 3.29Å; P221-D444 HydrophobicContact CB-CB 4.18Å; P221-D444 HydrophobicContact CG-CB 4.36Å; T410-D444 WeakPolarHBondContact CB-OD1 3.49Å; T410-D444 PolarHBondContact OG1-OD1 3.44Å; P411-D444 WeakPolarHBondContact CD-OD2 3.32Å; T412-D444 PolarHBondContact OG1-OD1 3.19Å; D444-G446 VanDerWaalsContact C-N 3.28Å; D444-G446 PolarHBondContact O-N 2.9Å |
| 445 | N | 84.8 | Confident | 88.5 | Confident | 63 Ų | 63 | 35.6 Ų | 35.6 | 34% | 0.337 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 7.1 | 176.2 | 70.3 | -5.6 | 0 | 0 | 0 | 114.7 | Y220 S443 G447 | Y220-N445 HydrophobicContact CD1-CB 4.18Å; Y220-N445 HydrophobicContact CD2-CB 3.56Å; Y220-N445 HydrophobicContact CE1-CB 4.02Å; Y220-N445 HydrophobicContact CE2-CB 3.33Å; Y220-N445 HydrophobicContact CG-CB 3.98Å; S443-N445 VanDerWaalsContact CB-OD1 3.25Å; S443-N445 WeakPolarHBondContact CB-OD1 3.32Å; S443-N445 PolarHBondContact O-N 3.02Å; N445-G447 VanDerWaalsContact C-N 3.26Å; N445-G447 PolarHBondContact O-N 3.03Å; N445-G447 PolarHBondContact OD1-N 2.99Å |
| 446 | G | 82.4 | Confident | 88.2 | Confident | 8 Ų | 8 | 37 Ų | 37 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 79 | 0.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S443 D444 L1050 R1052 G1053 | S443-G446 WeakPolarHBondContact O-CA 3.45Å; S443-G446 PolarHBondContact O-N 3.33Å; D444-G446 VanDerWaalsContact C-N 3.28Å; D444-G446 PolarHBondContact O-N 2.9Å; G446-L1050 WeakPolarHBondContact CA-O 3.4Å; G446-R1052 PolarHBondContact O-N 3.38Å; G446-G1053 PolarHBondContact O-N 3.47Å |
| 447 | G | 82.4 | Confident | 87.9 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -78.7 | 175 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R442 S443 N445 M449 | R442-G447 WeakPolarHBondContact CA-O 3.16Å; R442-G447 VanDerWaalsContact CD-O 3.29Å; R442-G447 WeakPolarHBondContact CD-O 3.39Å; S443-G447 PolarHBondContact N-O 3.46Å; N445-G447 VanDerWaalsContact C-N 3.26Å; N445-G447 PolarHBondContact O-N 3.03Å; N445-G447 PolarHBondContact OD1-N 2.99Å; G447-M449 PolarHBondContact O-N 3.47Å |
| 448 | R | 82.3 | Confident | 87.7 | Confident | 122 Ų | 122 | 43.4 Ų | 43.4 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -60.4 | 130 | 174.7 | -171.5 | 172.5 | -172.4 | -169.4 | -2.2 | 110.8 | S443 R450 D897 | S443-R448 PolarHBondContact OG-O 2.9Å; R448-R450 PolarHBondContact O-N 3.41Å; R448-D897 IonicContact CZ-OD2 3.17Å; R448-D897 IonicContact NH1-OD2 3.72Å; R448-D897 PolarHBondContact NH1-OD2 2.92Å; R448-D897 IonicContact NH2-OD2 2.81Å; R448-D897 PolarHBondContact NH2-OD2 3Å |
| 449 | M | 85.7 | Confident | 87.7 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | trans | -68.2 | 128.7 | 178.7 | -170.1 | -179.3 | -76.1 | 0 | 0 | 110.8 | P411 F441 R442 G447 A451 F454 V462 L463 | P411-M449 HydrophobicContact CG-CE 4.33Å; F441-M449 HydrophobicContact CB-CE 3.99Å; F441-M449 HydrophobicContact CB-SD 4.29Å; F441-M449 HydrophobicContact CD1-CE 4.39Å; R442-M449 WeakPolarHBondContact O-CE 3.36Å; G447-M449 PolarHBondContact O-N 3.47Å; M449-A451 VanDerWaalsContact C-N 3.29Å; M449-A451 PolarHBondContact O-N 3.36Å; M449-F454 HydrophobicContact CG-CE2 4.03Å; M449-F454 HydrophobicContact CG-CZ 4.24Å; M449-F454 HydrophobicContact SD-CE2 3.78Å; M449-F454 HydrophobicContact SD-CZ 4.41Å; M449-V462 HydrophobicContact CE-CG1 4.01Å; M449-V462 HydrophobicContact SD-CG1 4.37Å; M449-L463 HydrophobicContact CE-CD2 4.36Å; M449-L463 HydrophobicContact SD-CD2 3.66Å | ||
| 450 | R | 80.6 | Confident | 87.6 | Confident | 159 Ų | 159 | 45.4 Ų | 45.4 | 60% | 0.6 | 23% | 0.23 | S | C | * | . | trans | -88.8 | 64 | 174.5 | -64.6 | -176.3 | -177.9 | -176.7 | -0.9 | 110.7 | R448 F452 S453 | R448-R450 PolarHBondContact O-N 3.41Å; R450-F452 HydrophobicContact CB-CD1 4.23Å; R450-F452 HydrophobicContact CB-CE1 3.79Å; R450-F452 HydrophobicContact CB-CZ 4.31Å; R450-F452 HydrophobicContact CG-CE1 4.03Å; R450-F452 PolarHBondContact O-N 2.85Å; R450-F452 VanDerWaalsContact O-N 3.13Å; R450-S453 PolarHBondContact O-N 3.1Å; R450-S453 PolarHBondContact O-OG 3.43Å | ||
| 451 | A | 84.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -57.1 | -31.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M449 S453 F454 L463 L894 | M449-A451 VanDerWaalsContact C-N 3.29Å; M449-A451 PolarHBondContact O-N 3.36Å; A451-S453 PolarHBondContact O-N 2.9Å; A451-F454 PolarHBondContact O-N 3.31Å; A451-F454 VanDerWaalsContact O-N 3.11Å; A451-L463 HydrophobicContact CB-CD1 3.93Å; A451-L894 HydrophobicContact CB-CB 3.92Å |
| 452 | F | 84.6 | Confident | 87.6 | Confident | 141 Ų | 141 | 47.8 Ų | 47.8 | 62% | 0.618 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -58.1 | -17 | 175.3 | 75.4 | -96.4 | 0 | 0 | 0 | 115.1 | R450 C895 | R450-F452 HydrophobicContact CB-CD1 4.23Å; R450-F452 HydrophobicContact CB-CE1 3.79Å; R450-F452 HydrophobicContact CB-CZ 4.31Å; R450-F452 HydrophobicContact CG-CE1 4.03Å; R450-F452 PolarHBondContact O-N 2.85Å; R450-F452 VanDerWaalsContact O-N 3.13Å; F452-C895 WeakPolarHBondContact CB-O 3.4Å |
| 453 | S | 84.3 | Confident | 87.9 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -92.5 | -8.7 | -178.7 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | A239 R450 A451 | A239-S453 WeakPolarHBondContact CB-O 3.44Å; A239-S453 PolarHBondContact N-O 3.18Å; A239-S453 VanDerWaalsContact N-O 3.1Å; R450-S453 PolarHBondContact O-N 3.1Å; R450-S453 PolarHBondContact O-OG 3.43Å; A451-S453 PolarHBondContact O-N 2.9Å |
| 454 | F | 87.7 | Confident | 88.3 | Confident | 27 Ų | 27 | 49.2 Ų | 49.2 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -80.5 | 153.5 | 177.4 | -63.9 | -26.4 | 0 | 0 | 0 | 111.8 | A239 V241 P411 M449 A451 D458 I459 V462 | A239-F454 HydrophobicContact CB-CD1 4.02Å; A239-F454 HydrophobicContact CB-CE1 4.25Å; V241-F454 HydrophobicContact CG1-CE1 4.21Å; P411-F454 HydrophobicContact CB-CZ 4.2Å; P411-F454 HydrophobicContact CG-CZ 3.83Å; M449-F454 HydrophobicContact CG-CE2 4.03Å; M449-F454 HydrophobicContact CG-CZ 4.24Å; M449-F454 HydrophobicContact SD-CE2 3.78Å; M449-F454 HydrophobicContact SD-CZ 4.41Å; A451-F454 PolarHBondContact O-N 3.31Å; A451-F454 VanDerWaalsContact O-N 3.11Å; F454-D458 HydrophobicContact CB-CB 4.04Å; F454-D458 HydrophobicContact CG-CB 4.33Å; F454-I459 HydrophobicContact CB-CD1 4.45Å; F454-I459 HydrophobicContact CB-CG1 3.76Å; F454-V462 HydrophobicContact CE2-CG1 4.41Å |
| 455 | N | 87.7 | Confident | 88.6 | Confident | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | trans | -79.6 | 172.6 | 167.3 | 61.2 | 59.4 | 0 | 0 | 0 | 110.6 | K226 D457 D458 I459 | K226-N455 PolarHBondContact NZ-ND2 3.14Å; N455-D457 VanDerWaalsContact C-N 3.29Å; N455-D457 PolarHBondContact O-N 3.41Å; N455-D457 PolarHBondContact OD1-N 3.22Å; N455-D457 VanDerWaalsContact OD1-N 3.13Å; N455-D458 PolarHBondContact ND2-OD2 3.48Å; N455-D458 PolarHBondContact O-N 2.77Å; N455-D458 WeakPolarHBondContact OD1-CB 3.38Å; N455-D458 PolarHBondContact OD1-N 3.5Å; N455-D458 PolarHBondContact OD1-OD2 3.37Å; N455-I459 VanDerWaalsContact O-CG1 3.31Å; N455-I459 WeakPolarHBondContact O-CG1 3.33Å; N455-I459 PolarHBondContact O-N 3.19Å | ||
| 456 | S | 88.1 | Confident | 89.1 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 59% | 0.594 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -56 | -42.2 | -178.6 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | I459 D460 | S456-I459 PolarHBondContact O-N 3.09Å; S456-D460 PolarHBondContact O-N 2.87Å |
| 457 | D | 90.8 | Very high | 89.9 | Confident | 118 Ų | 118 | 51.6 Ų | 51.6 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -71.8 | -41.2 | -173.6 | -54.4 | -12.8 | 0 | 0 | 0 | 110.2 | N455 D460 E461 | N455-D457 VanDerWaalsContact C-N 3.29Å; N455-D457 PolarHBondContact O-N 3.41Å; N455-D457 PolarHBondContact OD1-N 3.22Å; N455-D457 VanDerWaalsContact OD1-N 3.13Å; D457-D460 PolarHBondContact O-N 3.21Å; D457-E461 WeakPolarHBondContact O-CB 3.05Å; D457-E461 PolarHBondContact O-N 2.95Å |
| 458 | D | 91.7 | Very high | 90.6 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 175.3 | -68.7 | -27.5 | 0 | 0 | 0 | 111.6 | V241 F454 N455 D460 V462 | V241-D458 HydrophobicContact CG1-CB 4.35Å; V241-D458 WeakPolarHBondContact CG2-OD1 3.39Å; F454-D458 HydrophobicContact CB-CB 4.04Å; F454-D458 HydrophobicContact CG-CB 4.33Å; N455-D458 PolarHBondContact ND2-OD2 3.48Å; N455-D458 PolarHBondContact O-N 2.77Å; N455-D458 WeakPolarHBondContact OD1-CB 3.38Å; N455-D458 PolarHBondContact OD1-N 3.5Å; N455-D458 PolarHBondContact OD1-OD2 3.37Å; D458-D460 VanDerWaalsContact C-N 3.33Å; D458-V462 WeakPolarHBondContact O-CB 3.27Å; D458-V462 VanDerWaalsContact O-CG2 3.22Å; D458-V462 WeakPolarHBondContact O-CG2 3.34Å; D458-V462 PolarHBondContact O-N 3.22Å |
| 459 | I | 93.3 | Very high | 91.3 | Very high | 30 Ų | 30 | 53 Ų | 53 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 171.6 | -72.3 | 169.8 | 0 | 0 | 0 | 110.1 | F454 N455 S456 L463 R464 I891 | F454-I459 HydrophobicContact CB-CD1 4.45Å; F454-I459 HydrophobicContact CB-CG1 3.76Å; N455-I459 VanDerWaalsContact O-CG1 3.31Å; N455-I459 WeakPolarHBondContact O-CG1 3.33Å; N455-I459 PolarHBondContact O-N 3.19Å; S456-I459 PolarHBondContact O-N 3.09Å; I459-L463 HydrophobicContact CG2-CD1 4.48Å; I459-L463 WeakPolarHBondContact O-CA 3.28Å; I459-L463 VanDerWaalsContact O-CB 3.29Å; I459-L463 WeakPolarHBondContact O-CB 3.23Å; I459-L463 PolarHBondContact O-N 2.79Å; I459-R464 PolarHBondContact O-N 2.97Å; I459-R464 VanDerWaalsContact O-N 3.14Å; I459-I891 HydrophobicContact CG2-CG2 3.55Å |
| 460 | D | 94.2 | Very high | 91.8 | Very high | 55 Ų | 55 | 53 Ų | 53 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -63.2 | -49.5 | 179.8 | -157.9 | 65.4 | 0 | 0 | 0 | 111.2 | S456 D457 D458 R464 R465 | S456-D460 PolarHBondContact O-N 2.87Å; D457-D460 PolarHBondContact O-N 3.21Å; D458-D460 VanDerWaalsContact C-N 3.33Å; D460-R464 CarbonylContact O-C 3.56Å; D460-R464 WeakPolarHBondContact O-CB 3.26Å; D460-R464 PolarHBondContact O-N 3.33Å; D460-R464 VanDerWaalsContact O-N 3.15Å; D460-R464 WeakPolarHBondContact OD1-CB 3.46Å; D460-R464 VanDerWaalsContact OD1-CD 3.24Å; D460-R464 WeakPolarHBondContact OD1-CD 3.29Å; D460-R464 IonicContact OD1-CZ 3.37Å; D460-R464 IonicContact OD1-NE 3.65Å; D460-R464 IonicContact OD1-NH1 3.63Å; D460-R464 PolarHBondContact OD1-NH1 2.99Å; D460-R465 WeakPolarHBondContact O-CB 3.27Å; D460-R465 PolarHBondContact O-N 3.21Å |
| 461 | E | 92.8 | Very high | 92.5 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -71.8 | -41.1 | -175.6 | -173.2 | 58 | -152.8 | 0 | 0 | 113.3 | R248 D457 R465 P466 | R248-E461 IonicContact NH2-OE1 3.31Å; D457-E461 WeakPolarHBondContact O-CB 3.05Å; D457-E461 PolarHBondContact O-N 2.95Å; E461-R465 IonicContact OE1-CZ 2.83Å; E461-R465 IonicContact OE1-NH1 2.68Å; E461-R465 PolarHBondContact OE1-NH1 3.44Å; E461-R465 VanDerWaalsContact OE2-CD 3.3Å; E461-R465 WeakPolarHBondContact OE2-CD 3.46Å; E461-R465 IonicContact OE2-NH1 3.31Å; E461-R465 PolarHBondContact OE2-NH1 2.73Å; E461-P466 WeakPolarHBondContact O-CD 3.34Å |
| 462 | V | 93.6 | Very high | 93 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -83.9 | -34.1 | -175 | 178 | 0 | 0 | 0 | 0 | 112.3 | V241 M449 F454 D458 | V241-V462 HydrophobicContact CG1-CG2 3.99Å; V241-V462 HydrophobicContact CG2-CG2 4.33Å; M449-V462 HydrophobicContact CE-CG1 4.01Å; M449-V462 HydrophobicContact SD-CG1 4.37Å; F454-V462 HydrophobicContact CE2-CG1 4.41Å; D458-V462 WeakPolarHBondContact O-CB 3.27Å; D458-V462 VanDerWaalsContact O-CG2 3.22Å; D458-V462 WeakPolarHBondContact O-CG2 3.34Å; D458-V462 PolarHBondContact O-N 3.22Å |
| 463 | L | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -112.4 | -58.2 | -172.9 | -57.1 | 178.4 | 0 | 0 | 0 | 112.3 | F441 M449 A451 I459 P466 L467 I891 L894 | F441-L463 HydrophobicContact CB-CD2 4.27Å; F441-L463 HydrophobicContact CD1-CD2 3.25Å; F441-L463 HydrophobicContact CE1-CD2 3.69Å; F441-L463 HydrophobicContact CG-CD2 3.86Å; M449-L463 HydrophobicContact CE-CD2 4.36Å; M449-L463 HydrophobicContact SD-CD2 3.66Å; A451-L463 HydrophobicContact CB-CD1 3.93Å; I459-L463 HydrophobicContact CG2-CD1 4.48Å; I459-L463 WeakPolarHBondContact O-CA 3.28Å; I459-L463 VanDerWaalsContact O-CB 3.29Å; I459-L463 WeakPolarHBondContact O-CB 3.23Å; I459-L463 PolarHBondContact O-N 2.79Å; L463-P466 WeakPolarHBondContact O-CD 3.19Å; L463-L467 VanDerWaalsContact O-CD1 3.32Å; L463-L467 WeakPolarHBondContact O-CD1 3.39Å; L463-L467 VanDerWaalsContact O-CG 3.25Å; L463-L467 WeakPolarHBondContact O-CG 3.45Å; L463-L467 PolarHBondContact O-N 2.8Å; L463-I891 HydrophobicContact CB-CD1 4.29Å; L463-I891 HydrophobicContact CB-CG1 4.07Å; L463-I891 HydrophobicContact CD1-CG2 4.34Å; L463-L894 HydrophobicContact CD1-CD1 4.22Å; L463-L894 HydrophobicContact CD2-CD1 4.12Å |
| 464 | R | 97.4 | Very high | 93.7 | Very high | 52 Ų | 52 | 45 Ų | 45 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -66.8 | -48.3 | -171.5 | -170 | 170.9 | -69.4 | 91.9 | 0.3 | 112 | I459 D460 L467 R468 I887 D888 I891 | I459-R464 PolarHBondContact O-N 2.97Å; I459-R464 VanDerWaalsContact O-N 3.14Å; D460-R464 CarbonylContact O-C 3.56Å; D460-R464 WeakPolarHBondContact O-CB 3.26Å; D460-R464 PolarHBondContact O-N 3.33Å; D460-R464 VanDerWaalsContact O-N 3.15Å; D460-R464 WeakPolarHBondContact OD1-CB 3.46Å; D460-R464 VanDerWaalsContact OD1-CD 3.24Å; D460-R464 WeakPolarHBondContact OD1-CD 3.29Å; D460-R464 IonicContact OD1-CZ 3.37Å; D460-R464 IonicContact OD1-NE 3.65Å; D460-R464 IonicContact OD1-NH1 3.63Å; D460-R464 PolarHBondContact OD1-NH1 2.99Å; R464-L467 PolarHBondContact O-N 3.19Å; R464-L467 VanDerWaalsContact O-N 3.11Å; R464-R468 VanDerWaalsContact O-CB 3.31Å; R464-R468 WeakPolarHBondContact O-CB 3.5Å; R464-R468 PolarHBondContact O-N 3.36Å; R464-I887 HydrophobicContact CG-CG2 4.14Å; R464-D888 IonicContact CZ-OD1 2.87Å; R464-D888 IonicContact NE-OD1 3.7Å; R464-D888 PolarHBondContact NE-OD1 3.31Å; R464-D888 VanDerWaalsContact NE-OD1 3.09Å; R464-D888 IonicContact NH2-OD1 3.89Å; R464-D888 PolarHBondContact NH2-OD1 3.1Å; R464-I891 HydrophobicContact CB-CD1 3.62Å; R464-I891 HydrophobicContact CG-CD1 4.07Å |
| 465 | R | 95.9 | Very high | 93.7 | Very high | 115 Ų | 115 | 48 Ų | 48 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.1 | -50.6 | -176.6 | -177 | -173.5 | -178.5 | -174.1 | -0.2 | 112.1 | D460 E461 L467 R468 D469 | D460-R465 WeakPolarHBondContact O-CB 3.27Å; D460-R465 PolarHBondContact O-N 3.21Å; E461-R465 IonicContact OE1-CZ 2.83Å; E461-R465 IonicContact OE1-NH1 2.68Å; E461-R465 PolarHBondContact OE1-NH1 3.44Å; E461-R465 VanDerWaalsContact OE2-CD 3.3Å; E461-R465 WeakPolarHBondContact OE2-CD 3.46Å; E461-R465 IonicContact OE2-NH1 3.31Å; E461-R465 PolarHBondContact OE2-NH1 2.73Å; R465-L467 VanDerWaalsContact C-N 3.29Å; R465-L467 PolarHBondContact O-N 2.99Å; R465-R468 PolarHBondContact O-N 2.88Å; R465-D469 WeakPolarHBondContact CG-OD2 3.32Å; R465-D469 IonicContact NE-OD2 3.08Å; R465-D469 VanDerWaalsContact O-CB 3.29Å; R465-D469 WeakPolarHBondContact O-CB 3.38Å; R465-D469 PolarHBondContact O-N 3.2Å |
| 466 | P | 96.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -32.4 | 174.1 | -26.4 | 35.6 | 0 | 0 | 0 | 115 | F409 E461 L463 G470 F495 | F409-P466 HydrophobicContact CD1-CB 4.04Å; F409-P466 HydrophobicContact CD1-CG 4.05Å; F409-P466 HydrophobicContact CD2-CB 4.46Å; F409-P466 HydrophobicContact CE1-CB 3.67Å; F409-P466 HydrophobicContact CE1-CG 3.99Å; F409-P466 HydrophobicContact CE2-CB 4.15Å; F409-P466 HydrophobicContact CG-CB 4.42Å; F409-P466 HydrophobicContact CZ-CB 3.74Å; E461-P466 WeakPolarHBondContact O-CD 3.34Å; L463-P466 WeakPolarHBondContact O-CD 3.19Å; P466-G470 WeakPolarHBondContact O-CA 3.36Å; P466-G470 PolarHBondContact O-N 3.44Å; P466-F495 WeakPolarHBondContact O-CE2 3.41Å; P466-F495 WeakPolarHBondContact O-CZ 3.12Å |
| 467 | L | 97.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.9 | -40.7 | 178.6 | -72.5 | 167.9 | 0 | 0 | 0 | 112.3 | F441 L463 R464 R465 F480 F495 I887 F890 I891 | F441-L467 HydrophobicContact CE2-CD1 4.45Å; F441-L467 HydrophobicContact CE2-CD2 3.97Å; F441-L467 HydrophobicContact CE2-CG 4.27Å; F441-L467 HydrophobicContact CZ-CD1 4.21Å; F441-L467 HydrophobicContact CZ-CD2 3.96Å; F441-L467 HydrophobicContact CZ-CG 3.83Å; L463-L467 VanDerWaalsContact O-CD1 3.32Å; L463-L467 WeakPolarHBondContact O-CD1 3.39Å; L463-L467 VanDerWaalsContact O-CG 3.25Å; L463-L467 WeakPolarHBondContact O-CG 3.45Å; L463-L467 PolarHBondContact O-N 2.8Å; R464-L467 PolarHBondContact O-N 3.19Å; R464-L467 VanDerWaalsContact O-N 3.11Å; R465-L467 VanDerWaalsContact C-N 3.29Å; R465-L467 PolarHBondContact O-N 2.99Å; L467-F480 HydrophobicContact CD2-CD2 3.8Å; L467-F480 HydrophobicContact CD2-CE2 4.33Å; L467-F480 HydrophobicContact CD2-CG 4.35Å; L467-F480 WeakPolarHBondContact O-CB 3.22Å; L467-F495 HydrophobicContact CD2-CE1 3.97Å; L467-F495 HydrophobicContact CD2-CZ 4.06Å; L467-I887 HydrophobicContact CB-CB 4.44Å; L467-I887 HydrophobicContact CB-CD1 3.98Å; L467-I887 HydrophobicContact CB-CG1 3.94Å; L467-I887 HydrophobicContact CB-CG2 3.72Å; L467-I887 HydrophobicContact CD1-CG2 3.93Å; L467-I887 HydrophobicContact CG-CG2 4.46Å; L467-I887 WeakPolarHBondContact O-CD1 3.34Å; L467-F890 HydrophobicContact CD1-CD1 3.65Å; L467-F890 HydrophobicContact CD1-CE1 4.2Å; L467-F890 HydrophobicContact CD1-CG 4.48Å; L467-F890 HydrophobicContact CD2-CD1 4.46Å; L467-I891 HydrophobicContact CD1-CD1 4.49Å; L467-I891 HydrophobicContact CD1-CG1 4.15Å |
| 468 | R | 97.2 | Very high | 94.7 | Very high | 100 Ų | 100 | 42.2 Ų | 42.2 | 38% | 0.377 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -78.1 | -51.6 | -177.8 | 176.9 | -175.9 | 73.8 | -135.8 | -7.9 | 111.9 | R464 R465 G470 E884 I887 | R464-R468 VanDerWaalsContact O-CB 3.31Å; R464-R468 WeakPolarHBondContact O-CB 3.5Å; R464-R468 PolarHBondContact O-N 3.36Å; R465-R468 PolarHBondContact O-N 2.88Å; R468-G470 VanDerWaalsContact C-N 3.33Å; R468-E884 WeakPolarHBondContact CG-OE1 3.43Å; R468-I887 HydrophobicContact CB-CD1 4.17Å |
| 469 | D | 96.8 | Very high | 95 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -84.9 | -11.2 | -172 | -58.2 | -5.7 | 0 | 0 | 0 | 111.9 | R465 H477 | R465-D469 WeakPolarHBondContact CG-OD2 3.32Å; R465-D469 IonicContact NE-OD2 3.08Å; R465-D469 VanDerWaalsContact O-CB 3.29Å; R465-D469 WeakPolarHBondContact O-CB 3.38Å; R465-D469 PolarHBondContact O-N 3.2Å; D469-H477 PolarHBondContact O-CE1 3.24Å; D469-H477 PolarHBondContact O-NE2 3.42Å |
| 470 | G | 96.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 44 Ų | 44 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | trans | 74.3 | -165.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P466 R468 Y478 | P466-G470 WeakPolarHBondContact O-CA 3.36Å; P466-G470 PolarHBondContact O-N 3.44Å; R468-G470 VanDerWaalsContact C-N 3.33Å; G470-Y478 CarbonylContact C-O 3.52Å; G470-Y478 WeakPolarHBondContact CA-O 3.46Å | ||
| 471 | L | 96.3 | Very high | 95.3 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 123.1 | 177.5 | -178.7 | 68.2 | 0 | 0 | 0 | 110.7 | V407 F409 T414 L437 I473 Y478 | V407-L471 HydrophobicContact CB-CD2 4.36Å; V407-L471 HydrophobicContact CG1-CD2 4.03Å; V407-L471 HydrophobicContact CG2-CD2 3.83Å; F409-L471 HydrophobicContact CZ-CB 4.47Å; F409-L471 HydrophobicContact CZ-CD1 4.4Å; F409-L471 HydrophobicContact CZ-CD2 4.15Å; T414-L471 HydrophobicContact CG2-CD1 4.18Å; T414-L471 HydrophobicContact CG2-CD2 4.28Å; L437-L471 HydrophobicContact CD2-CD2 4.05Å; L471-I473 HydrophobicContact CD2-CD1 3.88Å; L471-I473 HydrophobicContact CD2-CG1 3.95Å; L471-I473 HydrophobicContact CG-CD1 4.44Å; L471-I473 HydrophobicContact CG-CG1 4.01Å; L471-Y478 PolarHBondContact N-O 3.4Å; L471-Y478 WeakPolarHBondContact O-CB 3.47Å; L471-Y478 PolarHBondContact O-N 2.93Å |
| 472 | T | 95.1 | Very high | 95.5 | Very high | 92 Ų | 92 | 38.9 Ų | 38.9 | 56% | 0.564 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.4 | 170.7 | -55.3 | 0 | 0 | 0 | 0 | 110 | R476 H477 | T472-R476 WeakPolarHBondContact CA-O 3.46Å; T472-H477 PolarHBondContact OG1-ND1 3.45Å |
| 473 | I | 93.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.3 | 171.3 | -54.6 | 171.2 | 0 | 0 | 0 | 106 | F312 Y316 C319 V407 L416 L437 L471 D475 R476 Y478 | F312-I473 HydrophobicContact CE2-CG2 4.38Å; F312-I473 VanDerWaalsContact CE2-O 3.3Å; F312-I473 WeakPolarHBondContact CE2-O 3.48Å; F312-I473 HydrophobicContact CZ-CB 4.38Å; F312-I473 HydrophobicContact CZ-CG2 4.24Å; Y316-I473 HydrophobicContact CD2-CD1 4.22Å; Y316-I473 HydrophobicContact CD2-CG2 4.01Å; Y316-I473 HydrophobicContact CE2-CD1 4.16Å; C319-I473 HydrophobicContact CB-CG2 4.2Å; V407-I473 HydrophobicContact CG2-CD1 4.31Å; L416-I473 HydrophobicContact CD2-CD1 3.87Å; L416-I473 HydrophobicContact CD2-CG1 4.15Å; L416-I473 HydrophobicContact CD2-CG2 3.82Å; L416-I473 HydrophobicContact CG-CD1 4.18Å; L437-I473 HydrophobicContact CD1-CD1 4.31Å; L437-I473 HydrophobicContact CD2-CD1 4.14Å; L471-I473 HydrophobicContact CD2-CD1 3.88Å; L471-I473 HydrophobicContact CD2-CG1 3.95Å; L471-I473 HydrophobicContact CG-CD1 4.44Å; L471-I473 HydrophobicContact CG-CG1 4.01Å; I473-D475 PolarHBondContact O-N 2.77Å; I473-R476 PolarHBondContact N-O 3.26Å; I473-R476 PolarHBondContact O-N 3.35Å; I473-R476 VanDerWaalsContact O-O 3.1Å; I473-Y478 HydrophobicContact CB-CE2 4.25Å; I473-Y478 HydrophobicContact CD1-CD2 4.26Å; I473-Y478 HydrophobicContact CD1-CE2 4.14Å; I473-Y478 HydrophobicContact CG1-CD2 4.41Å; I473-Y478 HydrophobicContact CG1-CE2 4.42Å |
| 474 | G | 88.8 | Confident | 95.2 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 34% | 0.34 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -132.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R476 | G474-R476 VanDerWaalsContact C-N 3.29Å; G474-R476 PolarHBondContact O-N 2.84Å |
| 475 | D | 87.6 | Confident | 94.7 | Very high | 89 Ų | 89 | 38.8 Ų | 38.8 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1.5 | 176.3 | 67.1 | -28.3 | 0 | 0 | 0 | 114.7 | F312 Q315 I473 | F312-D475 VanDerWaalsContact CD2-OD1 3.22Å; F312-D475 WeakPolarHBondContact CD2-OD1 3.4Å; Q315-D475 VanDerWaalsContact OE1-N 3.11Å; I473-D475 PolarHBondContact O-N 2.77Å |
| 476 | R | 93.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 35 Ų | 35 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.5 | -174.5 | -58.3 | -172.7 | -167.4 | 170.4 | 2.8 | 112.5 | F312 E434 T472 I473 G474 Y478 C497 | F312-R476 VanDerWaalsContact CD1-NH1 3.28Å; F312-R476 HydrophobicContact CD2-CG 3.85Å; F312-R476 HydrophobicContact CE2-CB 3.79Å; F312-R476 HydrophobicContact CE2-CG 3.58Å; F312-R476 HydrophobicContact CZ-CB 4.21Å; F312-R476 HydrophobicContact CZ-CG 4.19Å; E434-R476 PolarHBondContact O-NH1 3.45Å; E434-R476 VanDerWaalsContact O-NH1 3.1Å; E434-R476 IonicContact OE1-CZ 2.78Å; E434-R476 VanDerWaalsContact OE1-CZ 3.22Å; E434-R476 IonicContact OE1-NH1 3.93Å; E434-R476 PolarHBondContact OE1-NH1 3.3Å; E434-R476 IonicContact OE1-NH2 2.74Å; E434-R476 PolarHBondContact OE1-NH2 3.32Å; T472-R476 WeakPolarHBondContact CA-O 3.46Å; I473-R476 PolarHBondContact N-O 3.26Å; I473-R476 PolarHBondContact O-N 3.35Å; I473-R476 VanDerWaalsContact O-O 3.1Å; G474-R476 VanDerWaalsContact C-N 3.29Å; G474-R476 PolarHBondContact O-N 2.84Å; R476-Y478 HydrophobicContact CB-CD2 4.35Å; R476-Y478 HydrophobicContact CB-CE2 3.7Å; R476-C497 HydrophobicContact CB-CB 4.21Å |
| 477 | H | 96.5 | Very high | 93.6 | Very high | 79 Ų | 79 | 35.1 Ų | 35.1 | 37% | 0.366 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.6 | 170.9 | -172.8 | 69.8 | 0 | 0 | 0 | 110.7 | D469 T472 C497 | D469-H477 PolarHBondContact O-CE1 3.24Å; D469-H477 PolarHBondContact O-NE2 3.42Å; T472-H477 PolarHBondContact OG1-ND1 3.45Å; H477-C497 VanDerWaalsContact O-CA 3.26Å; H477-C497 WeakPolarHBondContact O-CA 2.85Å; H477-C497 WeakPolarHBondContact O-CB 3.1Å |
| 478 | Y | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.6 | -179.1 | -68.7 | -93 | 0 | 0 | 0 | 110.5 | F312 W435 L437 G470 L471 I473 R476 F495 C497 | F312-Y478 VanDerWaalsContact CE1-OH 3.22Å; F312-Y478 WeakPolarHBondContact CE1-OH 3.34Å; F312-Y478 AromaticContact CZ-CE2 3.92Å; F312-Y478 HydrophobicContact CZ-CE2 3.92Å; F312-Y478 AromaticContact CZ-CZ 3.96Å; F312-Y478 WeakPolarHBondContact CZ-OH 3.48Å; W435-Y478 WeakPolarHBondContact O-CE1 3.11Å; L437-Y478 HydrophobicContact CB-CD1 3.42Å; L437-Y478 VanDerWaalsContact CB-CD1 3.42Å; L437-Y478 HydrophobicContact CB-CE1 3.71Å; L437-Y478 HydrophobicContact CB-CG 4.05Å; L437-Y478 HydrophobicContact CD2-CD1 4.13Å; L437-Y478 HydrophobicContact CD2-CD2 4.23Å; L437-Y478 HydrophobicContact CD2-CG 3.86Å; L437-Y478 HydrophobicContact CG-CD1 4.37Å; G470-Y478 CarbonylContact C-O 3.52Å; G470-Y478 WeakPolarHBondContact CA-O 3.46Å; L471-Y478 PolarHBondContact N-O 3.4Å; L471-Y478 WeakPolarHBondContact O-CB 3.47Å; L471-Y478 PolarHBondContact O-N 2.93Å; I473-Y478 HydrophobicContact CB-CE2 4.25Å; I473-Y478 HydrophobicContact CD1-CD2 4.26Å; I473-Y478 HydrophobicContact CD1-CE2 4.14Å; I473-Y478 HydrophobicContact CG1-CD2 4.41Å; I473-Y478 HydrophobicContact CG1-CE2 4.42Å; R476-Y478 HydrophobicContact CB-CD2 4.35Å; R476-Y478 HydrophobicContact CB-CE2 3.7Å; Y478-F495 WeakPolarHBondContact O-CD2 3.35Å; Y478-C497 HydrophobicContact CD1-CB 3.81Å; Y478-C497 HydrophobicContact CD2-CB 4.41Å; Y478-C497 HydrophobicContact CE1-CB 3.9Å; Y478-C497 VanDerWaalsContact CE1-SG 3.57Å; Y478-C497 HydrophobicContact CE2-CB 4.47Å; Y478-C497 HydrophobicContact CG-CB 4.08Å |
| 479 | E | 97.9 | Very high | 92.8 | Very high | 79 Ų | 79 | 35.3 Ų | 35.3 | 37% | 0.369 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 149.6 | -178.5 | -64.1 | 176.5 | 122.8 | 0 | 0 | 110.9 | L481 F495 Y496 V505 | E479-L481 PolarHBondContact O-N 3.44Å; E479-F495 CarbonylContact O-C 3.5Å; E479-F495 WeakPolarHBondContact O-CA 3.34Å; E479-F495 WeakPolarHBondContact O-CB 3.43Å; E479-Y496 PolarHBondContact N-O 2.95Å; E479-Y496 PolarHBondContact O-N 3.23Å; E479-V505 HydrophobicContact CB-CB 4.5Å; E479-V505 HydrophobicContact CB-CG2 3.78Å |
| 480 | F | 97.9 | Very high | 92 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 120.1 | 179.7 | 166.8 | -103.3 | 0 | 0 | 0 | 112.1 | L467 W483 C493 F495 V505 R509 M525 T883 M886 I887 | L467-F480 HydrophobicContact CD2-CD2 3.8Å; L467-F480 HydrophobicContact CD2-CE2 4.33Å; L467-F480 HydrophobicContact CD2-CG 4.35Å; L467-F480 WeakPolarHBondContact O-CB 3.22Å; F480-W483 HydrophobicContact CE1-CZ3 4.28Å; F480-W483 AromaticContact CE2-CE3 3.75Å; F480-W483 HydrophobicContact CE2-CE3 3.75Å; F480-W483 AromaticContact CE2-CZ3 3.95Å; F480-W483 HydrophobicContact CE2-CZ3 3.95Å; F480-W483 AromaticContact CZ-CE3 3.49Å; F480-W483 HydrophobicContact CZ-CE3 3.49Å; F480-W483 VanDerWaalsContact CZ-CE3 3.49Å; F480-W483 AromaticContact CZ-CZ3 3.32Å; F480-W483 HydrophobicContact CZ-CZ3 3.32Å; F480-C493 HydrophobicContact CD2-CB 4.37Å; F480-C493 HydrophobicContact CE2-CB 3.93Å; F480-F495 HydrophobicContact CB-CD1 4.28Å; F480-F495 HydrophobicContact CB-CE1 3.91Å; F480-F495 HydrophobicContact CB-CZ 4.04Å; F480-F495 HydrophobicContact CD2-CD1 4.25Å; F480-F495 AromaticContact CD2-CE1 3.82Å; F480-F495 HydrophobicContact CD2-CE1 3.82Å; F480-F495 HydrophobicContact CG-CE1 4.37Å; F480-V505 WeakPolarHBondContact O-CG1 3.39Å; F480-R509 PolarHBondContact O-NH2 3.46Å; F480-M525 HydrophobicContact CZ-CE 4.25Å; F480-T883 HydrophobicContact CD1-CG2 3.89Å; F480-T883 HydrophobicContact CE1-CG2 4.5Å; F480-M886 HydrophobicContact CE1-CB 4.02Å; F480-I887 HydrophobicContact CD1-CD1 4.32Å; F480-I887 HydrophobicContact CD1-CG1 3.86Å; F480-I887 HydrophobicContact CE1-CG1 4.16Å; F480-I887 HydrophobicContact CG-CG1 4.45Å |
| 481 | L | 96.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -55.4 | -179.1 | 175.1 | 64.1 | 0 | 0 | 0 | 112.7 | V427 E479 Y494 Y496 V505 I508 R509 M512 F532 | V427-L481 HydrophobicContact CG1-CD2 4.18Å; E479-L481 PolarHBondContact O-N 3.44Å; L481-Y494 WeakPolarHBondContact CA-O 3.45Å; L481-Y494 WeakPolarHBondContact CB-O 3.27Å; L481-Y494 PolarHBondContact N-O 3.34Å; L481-Y496 HydrophobicContact CD2-CD2 3.56Å; L481-Y496 HydrophobicContact CD2-CE2 4.1Å; L481-Y496 HydrophobicContact CD2-CG 4.31Å; L481-V505 HydrophobicContact CB-CG1 4.37Å; L481-V505 HydrophobicContact CB-CG2 4.42Å; L481-V505 HydrophobicContact CD1-CG1 3.85Å; L481-I508 HydrophobicContact CD1-CB 3.99Å; L481-I508 HydrophobicContact CD1-CG2 3.67Å; L481-I508 HydrophobicContact CD2-CG2 3.96Å; L481-I508 HydrophobicContact CG-CG2 4.48Å; L481-R509 HydrophobicContact CD1-CG 3.92Å; L481-R509 PolarHBondContact O-NE 3.43Å; L481-R509 PolarHBondContact O-NH2 2.87Å; L481-M512 HydrophobicContact CD1-CE 4Å; L481-M512 HydrophobicContact CD2-CE 3.96Å; L481-M512 HydrophobicContact CG-CE 4.08Å; L481-F532 HydrophobicContact CD2-CE1 3.81Å; L481-F532 HydrophobicContact CD2-CZ 3.88Å; L481-F532 HydrophobicContact CG-CE1 4.45Å; L481-F532 HydrophobicContact CG-CZ 4.01Å |
| 482 | G | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.3 | -171.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C493 Y494 | G482-C493 CarbonylContact O-C 3.5Å; G482-C493 WeakPolarHBondContact O-CA 3.37Å; G482-C493 WeakPolarHBondContact O-CB 3.31Å; G482-Y494 PolarHBondContact N-O 3.02Å; G482-Y494 PolarHBondContact O-N 2.83Å |
| 483 | W | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | trans | -147.9 | 161.8 | -179.4 | 62.5 | 78.6 | 0 | 0 | 0 | 111.8 | F480 Q487 L488 C493 M525 G529 M886 F889 F890 | F480-W483 HydrophobicContact CE1-CZ3 4.28Å; F480-W483 AromaticContact CE2-CE3 3.75Å; F480-W483 HydrophobicContact CE2-CE3 3.75Å; F480-W483 AromaticContact CE2-CZ3 3.95Å; F480-W483 HydrophobicContact CE2-CZ3 3.95Å; F480-W483 AromaticContact CZ-CE3 3.49Å; F480-W483 HydrophobicContact CZ-CE3 3.49Å; F480-W483 VanDerWaalsContact CZ-CE3 3.49Å; F480-W483 AromaticContact CZ-CZ3 3.32Å; F480-W483 HydrophobicContact CZ-CZ3 3.32Å; W483-Q487 HydrophobicContact CB-CB 4.35Å; W483-L488 HydrophobicContact CD2-CD1 4.39Å; W483-L488 HydrophobicContact CG-CB 4.26Å; W483-L488 HydrophobicContact CG-CD1 4.48Å; W483-C493 HydrophobicContact CB-CB 4.04Å; W483-M525 HydrophobicContact CD2-CE 3.93Å; W483-M525 HydrophobicContact CE3-CE 3.72Å; W483-M525 HydrophobicContact CH2-CB 4.15Å; W483-M525 HydrophobicContact CH2-CE 3.81Å; W483-M525 HydrophobicContact CH2-CG 3.66Å; W483-M525 HydrophobicContact CH2-SD 4.35Å; W483-M525 HydrophobicContact CZ2-CB 3.45Å; W483-M525 VanDerWaalsContact CZ2-CB 3.45Å; W483-M525 HydrophobicContact CZ2-CE 4Å; W483-M525 HydrophobicContact CZ2-CG 3.48Å; W483-M525 VanDerWaalsContact CZ2-CG 3.48Å; W483-M525 HydrophobicContact CZ3-CE 3.69Å; W483-M525 HydrophobicContact CZ3-CG 4.49Å; W483-G529 WeakPolarHBondContact O-CA 3.44Å; W483-M886 HydrophobicContact CH2-CB 4.46Å; W483-M886 VanDerWaalsContact CH2-O 3.22Å; W483-M886 WeakPolarHBondContact CH2-O 3.37Å; W483-F889 HydrophobicContact CH2-CD1 4.18Å; W483-F889 AromaticContact CZ2-CD1 3.74Å; W483-F889 HydrophobicContact CZ2-CD1 3.74Å; W483-F889 HydrophobicContact CZ2-CE1 4.15Å; W483-F890 AromaticContact CD2-CD2 3.71Å; W483-F890 HydrophobicContact CD2-CD2 3.71Å; W483-F890 HydrophobicContact CD2-CE2 4.21Å; W483-F890 HydrophobicContact CE3-CB 4.28Å; W483-F890 AromaticContact CE3-CD2 3.35Å; W483-F890 HydrophobicContact CE3-CD2 3.35Å; W483-F890 HydrophobicContact CE3-CE2 4.03Å; W483-F890 HydrophobicContact CE3-CG 4.16Å; W483-F890 HydrophobicContact CG-CD2 4.37Å; W483-F890 HydrophobicContact CG-CE2 4.44Å; W483-F890 HydrophobicContact CH2-CB 3.85Å; W483-F890 HydrophobicContact CH2-CD2 4.21Å; W483-F890 HydrophobicContact CZ3-CB 3.61Å; W483-F890 AromaticContact CZ3-CD2 3.6Å; W483-F890 HydrophobicContact CZ3-CD2 3.6Å; W483-F890 AromaticContact CZ3-CG 3.99Å; W483-F890 HydrophobicContact CZ3-CG 3.99Å | ||
| 484 | S | 89.8 | Confident | 91.6 | Very high | 16 Ų | 16 | 27 Ų | 27 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | trans | -96.1 | 163.1 | 162.2 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | S486 Q487 L488 G529 | S484-S486 PolarHBondContact O-N 3.01Å; S484-Q487 WeakPolarHBondContact O-CB 3.31Å; S484-Q487 PolarHBondContact O-N 3.39Å; S484-Q487 VanDerWaalsContact OG-CG 3.24Å; S484-Q487 WeakPolarHBondContact OG-CG 3.45Å; S484-Q487 PolarHBondContact OG-N 3.12Å; S484-Q487 PolarHBondContact OG-OE1 3.08Å; S484-L488 PolarHBondContact O-N 2.79Å; S484-G529 WeakPolarHBondContact CB-O 3.47Å | ||
| 485 | N | 87.1 | Confident | 92 | Very high | 36 Ų | 36 | 25.4 Ų | 25.4 | 19% | 0.193 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.3 | -33.8 | 179.4 | -68.1 | -12.8 | 0 | 0 | 0 | 113.1 | R489 S526 | N485-R489 WeakPolarHBondContact O-CG 3.22Å; N485-R489 PolarHBondContact O-N 2.84Å; N485-R489 VanDerWaalsContact O-N 3.11Å; N485-S526 PolarHBondContact ND2-OG 3.4Å |
| 486 | S | 82.1 | Confident | 92.5 | Very high | 36 Ų | 36 | 21.2 Ų | 21.2 | 25% | 0.252 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -67.7 | -39.1 | 174.8 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | S484 D490 | S484-S486 PolarHBondContact O-N 3.01Å; S486-D490 WeakPolarHBondContact O-CB 3.48Å; S486-D490 PolarHBondContact O-N 2.79Å |
| 487 | Q | 87.7 | Confident | 92.7 | Very high | 18 Ų | 18 | 19.9 Ų | 19.9 | 8% | 0.084 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.6 | -40.6 | 176.6 | -67.3 | 170.3 | -53.9 | 0 | 0 | 111 | W483 S484 R489 D490 G491 G492 Y494 | W483-Q487 HydrophobicContact CB-CB 4.35Å; S484-Q487 WeakPolarHBondContact O-CB 3.31Å; S484-Q487 PolarHBondContact O-N 3.39Å; S484-Q487 VanDerWaalsContact OG-CG 3.24Å; S484-Q487 WeakPolarHBondContact OG-CG 3.45Å; S484-Q487 PolarHBondContact OG-N 3.12Å; S484-Q487 PolarHBondContact OG-OE1 3.08Å; Q487-R489 PolarHBondContact O-N 2.84Å; Q487-D490 CarbonylContact O-C 3.4Å; Q487-D490 WeakPolarHBondContact O-CA 3.45Å; Q487-D490 PolarHBondContact O-N 2.82Å; Q487-D490 VanDerWaalsContact O-N 3.13Å; Q487-G491 PolarHBondContact O-N 3.47Å; Q487-G492 CarbonylContact C-O 3.47Å; Q487-G492 WeakPolarHBondContact CB-O 3.41Å; Q487-G492 PolarHBondContact O-N 3.25Å; Q487-Y494 VanDerWaalsContact NE2-CD2 3.29Å |
| 488 | L | 91 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 176.8 | -175.8 | 64.3 | 0 | 0 | 0 | 112.4 | W483 S484 D490 G491 F889 F890 Y893 P934 | W483-L488 HydrophobicContact CD2-CD1 4.39Å; W483-L488 HydrophobicContact CG-CB 4.26Å; W483-L488 HydrophobicContact CG-CD1 4.48Å; S484-L488 PolarHBondContact O-N 2.79Å; L488-D490 PolarHBondContact O-N 2.84Å; L488-G491 WeakPolarHBondContact O-CA 3.14Å; L488-G491 PolarHBondContact O-N 2.84Å; L488-F889 HydrophobicContact CD2-CE1 4.3Å; L488-F890 HydrophobicContact CD1-CD2 3.42Å; L488-F890 VanDerWaalsContact CD1-CD2 3.42Å; L488-F890 HydrophobicContact CD1-CE2 3.65Å; L488-F890 HydrophobicContact CD1-CG 4.32Å; L488-Y893 HydrophobicContact CD1-CD1 3.61Å; L488-Y893 HydrophobicContact CD1-CE1 4.28Å; L488-Y893 HydrophobicContact CD1-CG 3.79Å; L488-Y893 HydrophobicContact CD2-CD1 4.08Å; L488-Y893 HydrophobicContact CD2-CD2 3.7Å; L488-Y893 HydrophobicContact CD2-CE1 4.32Å; L488-Y893 HydrophobicContact CD2-CE2 3.97Å; L488-Y893 HydrophobicContact CD2-CG 3.77Å; L488-Y893 HydrophobicContact CG-CD1 3.49Å; L488-Y893 VanDerWaalsContact CG-CD1 3.49Å; L488-Y893 HydrophobicContact CG-CD2 4.07Å; L488-Y893 HydrophobicContact CG-CE1 3.69Å; L488-Y893 HydrophobicContact CG-CE2 4.25Å; L488-Y893 HydrophobicContact CG-CG 3.71Å; L488-Y893 WeakPolarHBondContact O-CE1 3.18Å; L488-P934 HydrophobicContact CD2-CB 4.24Å |
| 489 | R | 85.6 | Confident | 92.5 | Very high | 106 Ų | 106 | 25 Ų | 25 | 40% | 0.4 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -57.3 | -40.4 | 174.6 | -76.1 | -170.3 | -60.7 | -97 | 5.3 | 112 | N485 Q487 G491 Y893 | N485-R489 WeakPolarHBondContact O-CG 3.22Å; N485-R489 PolarHBondContact O-N 2.84Å; N485-R489 VanDerWaalsContact O-N 3.11Å; Q487-R489 PolarHBondContact O-N 2.84Å; R489-G491 PolarHBondContact O-N 3.03Å; R489-Y893 WeakPolarHBondContact CG-OH 3.28Å |
| 490 | D | 81.1 | Confident | 92 | Very high | 22 Ų | 22 | 24.8 Ų | 24.8 | 12% | 0.118 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 17.4 | 175 | -168.5 | 48.3 | 0 | 0 | 0 | 112.5 | R442 S486 Q487 L488 G492 E1054 | R442-D490 IonicContact CZ-OD1 2.83Å; R442-D490 PolarHBondContact NH1-O 3.27Å; R442-D490 PolarHBondContact NH2-O 2.75Å; R442-D490 IonicContact NH2-OD1 3.38Å; R442-D490 PolarHBondContact NH2-OD1 2.87Å; R442-D490 IonicContact NH2-OD2 2.67Å; R442-D490 PolarHBondContact NH2-OD2 3.06Å; S486-D490 WeakPolarHBondContact O-CB 3.48Å; S486-D490 PolarHBondContact O-N 2.79Å; Q487-D490 CarbonylContact O-C 3.4Å; Q487-D490 WeakPolarHBondContact O-CA 3.45Å; Q487-D490 PolarHBondContact O-N 2.82Å; Q487-D490 VanDerWaalsContact O-N 3.13Å; L488-D490 PolarHBondContact O-N 2.84Å; D490-G492 VanDerWaalsContact C-N 3.26Å; D490-G492 PolarHBondContact O-N 3.19Å; D490-G492 VanDerWaalsContact O-N 3.13Å; D490-E1054 VanDerWaalsContact OD2-CG 3.28Å; D490-E1054 WeakPolarHBondContact OD2-CG 3.46Å |
| 491 | G | 89.8 | Confident | 91.7 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S440 F441 Q487 L488 R489 | S440-G491 CarbonylContact C-O 3.58Å; S440-G491 WeakPolarHBondContact CA-O 3.31Å; F441-G491 PolarHBondContact N-O 3.38Å; Q487-G491 PolarHBondContact O-N 3.47Å; L488-G491 WeakPolarHBondContact O-CA 3.14Å; L488-G491 PolarHBondContact O-N 2.84Å; R489-G491 PolarHBondContact O-N 3.03Å |
| 492 | G | 91.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V439 Q487 D490 | V439-G492 CarbonylContact O-C 3.55Å; V439-G492 WeakPolarHBondContact O-CA 3.37Å; Q487-G492 CarbonylContact C-O 3.47Å; Q487-G492 WeakPolarHBondContact CB-O 3.41Å; Q487-G492 PolarHBondContact O-N 3.25Å; D490-G492 VanDerWaalsContact C-N 3.26Å; D490-G492 PolarHBondContact O-N 3.19Å; D490-G492 VanDerWaalsContact O-N 3.13Å |
| 493 | C | 95 | Very high | 91.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 175.7 | -177.1 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | V439 F480 G482 W483 F890 | V439-C493 PolarHBondContact N-O 2.97Å; V439-C493 PolarHBondContact O-N 2.79Å; F480-C493 HydrophobicContact CD2-CB 4.37Å; F480-C493 HydrophobicContact CE2-CB 3.93Å; G482-C493 CarbonylContact O-C 3.5Å; G482-C493 WeakPolarHBondContact O-CA 3.37Å; G482-C493 WeakPolarHBondContact O-CB 3.31Å; W483-C493 HydrophobicContact CB-CB 4.04Å; C493-F890 HydrophobicContact CB-CE2 4.16Å; C493-F890 HydrophobicContact CB-CZ 4.36Å |
| 494 | Y | 96.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 139 | 172.3 | -83.7 | -76.3 | 0 | 0 | 0 | 110.5 | N425 I428 R438 L481 G482 Q487 F532 | N425-Y494 PolarHBondContact ND2-OH 2.85Å; I428-Y494 HydrophobicContact CD1-CE1 4.04Å; R438-Y494 HydrophobicContact CG-CD1 3.9Å; R438-Y494 HydrophobicContact CG-CE1 3.34Å; L481-Y494 WeakPolarHBondContact CA-O 3.45Å; L481-Y494 WeakPolarHBondContact CB-O 3.27Å; L481-Y494 PolarHBondContact N-O 3.34Å; G482-Y494 PolarHBondContact N-O 3.02Å; G482-Y494 PolarHBondContact O-N 2.83Å; Q487-Y494 VanDerWaalsContact NE2-CD2 3.29Å; Y494-F532 HydrophobicContact CD2-CB 4.26Å; Y494-F532 AromaticContact CD2-CD1 3.46Å; Y494-F532 HydrophobicContact CD2-CD1 3.46Å; Y494-F532 VanDerWaalsContact CD2-CD1 3.46Å; Y494-F532 HydrophobicContact CD2-CD2 4.21Å; Y494-F532 AromaticContact CD2-CE1 3.75Å; Y494-F532 HydrophobicContact CD2-CE1 3.75Å; Y494-F532 AromaticContact CD2-CG 3.72Å; Y494-F532 HydrophobicContact CD2-CG 3.72Å; Y494-F532 HydrophobicContact CD2-CZ 4.28Å; Y494-F532 HydrophobicContact CE2-CB 3.94Å; Y494-F532 AromaticContact CE2-CD1 3.72Å; Y494-F532 HydrophobicContact CE2-CD1 3.72Å; Y494-F532 HydrophobicContact CE2-CE1 4.43Å; Y494-F532 AromaticContact CE2-CG 3.89Å; Y494-F532 HydrophobicContact CE2-CG 3.89Å; Y494-F532 HydrophobicContact CG-CD1 4.24Å; Y494-F532 HydrophobicContact CG-CE1 4.15Å |
| 495 | F | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 155.2 | 164.7 | -76.2 | 39.1 | 0 | 0 | 0 | 108.4 | L437 V439 P466 L467 Y478 E479 F480 | L437-F495 HydrophobicContact CB-CB 4.13Å; L437-F495 HydrophobicContact CD2-CB 4.46Å; L437-F495 PolarHBondContact N-O 2.81Å; L437-F495 PolarHBondContact O-N 2.81Å; V439-F495 HydrophobicContact CB-CD1 3.98Å; V439-F495 HydrophobicContact CB-CE1 4Å; V439-F495 HydrophobicContact CG1-CE1 4.13Å; V439-F495 HydrophobicContact CG2-CB 4.23Å; V439-F495 HydrophobicContact CG2-CD1 3.45Å; V439-F495 VanDerWaalsContact CG2-CD1 3.45Å; V439-F495 HydrophobicContact CG2-CD2 4.2Å; V439-F495 HydrophobicContact CG2-CE1 3.76Å; V439-F495 HydrophobicContact CG2-CE2 4.44Å; V439-F495 HydrophobicContact CG2-CG 3.72Å; V439-F495 HydrophobicContact CG2-CZ 4.25Å; P466-F495 WeakPolarHBondContact O-CE2 3.41Å; P466-F495 WeakPolarHBondContact O-CZ 3.12Å; L467-F495 HydrophobicContact CD2-CE1 3.97Å; L467-F495 HydrophobicContact CD2-CZ 4.06Å; Y478-F495 WeakPolarHBondContact O-CD2 3.35Å; E479-F495 CarbonylContact O-C 3.5Å; E479-F495 WeakPolarHBondContact O-CA 3.34Å; E479-F495 WeakPolarHBondContact O-CB 3.43Å; F480-F495 HydrophobicContact CB-CD1 4.28Å; F480-F495 HydrophobicContact CB-CE1 3.91Å; F480-F495 HydrophobicContact CB-CZ 4.04Å; F480-F495 HydrophobicContact CD2-CD1 4.25Å; F480-F495 AromaticContact CD2-CE1 3.82Å; F480-F495 HydrophobicContact CD2-CE1 3.82Å; F480-F495 HydrophobicContact CG-CE1 4.37Å |
| 496 | Y | 97.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 141.6 | 175.3 | -107.8 | -98.7 | 0 | 0 | 0 | 110 | V427 F431 G432 W435 A436 E479 L481 I508 | V427-Y496 HydrophobicContact CG1-CE2 3.86Å; F431-Y496 HydrophobicContact CB-CE1 3.75Å; G432-Y496 PolarHBondContact O-OH 3.04Å; W435-Y496 HydrophobicContact CB-CD1 3.99Å; W435-Y496 HydrophobicContact CB-CE1 3.92Å; W435-Y496 WeakPolarHBondContact O-CA 3.24Å; W435-Y496 WeakPolarHBondContact O-CD1 3.48Å; A436-Y496 HydrophobicContact CB-CD2 4.17Å; A436-Y496 HydrophobicContact CB-CE1 4.28Å; A436-Y496 HydrophobicContact CB-CE2 3.49Å; A436-Y496 VanDerWaalsContact CB-CE2 3.49Å; E479-Y496 PolarHBondContact N-O 2.95Å; E479-Y496 PolarHBondContact O-N 3.23Å; L481-Y496 HydrophobicContact CD2-CD2 3.56Å; L481-Y496 HydrophobicContact CD2-CE2 4.1Å; L481-Y496 HydrophobicContact CD2-CG 4.31Å; Y496-I508 HydrophobicContact CD1-CD1 3.55Å; Y496-I508 HydrophobicContact CD2-CD1 4.4Å; Y496-I508 HydrophobicContact CE1-CD1 4.16Å; Y496-I508 HydrophobicContact CG-CD1 3.69Å |
| 497 | C | 96.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -94.8 | 170.6 | 165.2 | 63.3 | 0 | 0 | 0 | 0 | 110.5 | W435 R476 H477 Y478 T499 | W435-C497 PolarHBondContact O-N 3.01Å; W435-C497 VanDerWaalsContact O-N 3.13Å; W435-C497 PolarHBondContact O-SG 2.79Å; R476-C497 HydrophobicContact CB-CB 4.21Å; H477-C497 VanDerWaalsContact O-CA 3.26Å; H477-C497 WeakPolarHBondContact O-CA 2.85Å; H477-C497 WeakPolarHBondContact O-CB 3.1Å; Y478-C497 HydrophobicContact CD1-CB 3.81Å; Y478-C497 HydrophobicContact CD2-CB 4.41Å; Y478-C497 HydrophobicContact CE1-CB 3.9Å; Y478-C497 VanDerWaalsContact CE1-SG 3.57Å; Y478-C497 HydrophobicContact CE2-CB 4.47Å; Y478-C497 HydrophobicContact CG-CB 4.08Å; C497-T499 PolarHBondContact O-N 2.79Å |
| 498 | R | 96.2 | Very high | 93.1 | Very high | 180 Ų | 180 | 37.4 Ų | 37.4 | 68% | 0.679 | 20% | 0.203 | S | C | * | . | P | Polyproline II helix | trans | -59.6 | 129.8 | 176.4 | -71.7 | -175.8 | -178.1 | 168 | 0.6 | 110.1 | E503 C504 | R498-E503 WeakPolarHBondContact CA-O 3.44Å; R498-C504 HydrophobicContact CG-CB 4.48Å |
| 499 | T | 94.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 168.1 | 179 | 69.7 | 0 | 0 | 0 | 0 | 110.7 | F431 W435 C497 Q501 G502 E503 | F431-T499 HydrophobicContact CB-CG2 4.31Å; F431-T499 HydrophobicContact CD1-CG2 4.28Å; W435-T499 HydrophobicContact CB-CG2 4.5Å; W435-T499 HydrophobicContact CG-CG2 4.35Å; C497-T499 PolarHBondContact O-N 2.79Å; T499-Q501 PolarHBondContact O-N 2.9Å; T499-Q501 VanDerWaalsContact O-N 3.13Å; T499-Q501 PolarHBondContact OG1-N 3.03Å; T499-G502 PolarHBondContact O-N 3.29Å; T499-E503 HydrophobicContact CG2-CB 4.18Å; T499-E503 PolarHBondContact N-O 2.98Å; T499-E503 VanDerWaalsContact N-O 3.1Å; T499-E503 WeakPolarHBondContact OG1-CB 3.2Å; T499-E503 PolarHBondContact OG1-N 2.83Å; T499-E503 VanDerWaalsContact OG1-N 3.16Å; T499-E503 PolarHBondContact OG1-OE2 2.76Å |
| 500 | A | 89.3 | Confident | 93.6 | Very high | 74 Ų | 74 | 40.6 Ų | 40.6 | 61% | 0.612 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W435 G502 | W435-A500 HydrophobicContact CH2-CB 4.12Å; W435-A500 HydrophobicContact CZ2-CB 3.67Å; A500-G502 VanDerWaalsContact C-N 3.29Å |
| 501 | Q | 91.1 | Very high | 94.2 | Very high | 142 Ų | 142 | 41.4 Ų | 41.4 | 66% | 0.664 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.6 | 176.3 | -65.3 | 75.7 | 16.4 | 0 | 0 | 113 | T499 E503 | T499-Q501 PolarHBondContact O-N 2.9Å; T499-Q501 VanDerWaalsContact O-N 3.13Å; T499-Q501 PolarHBondContact OG1-N 3.03Å; Q501-E503 HydrophobicContact CB-CG 4.27Å |
| 502 | G | 92.8 | Very high | 94.3 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 50% | 0.495 | 22% | 0.22 | S | C | . | . | trans | 82.1 | 10.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T499 A500 | T499-G502 PolarHBondContact O-N 3.29Å; A500-G502 VanDerWaalsContact C-N 3.29Å | ||
| 503 | E | 95.2 | Very high | 94.4 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | trans | -72.5 | 130.6 | -179.8 | -57.6 | 159.2 | 124.8 | 0 | 0 | 109.9 | R430 F431 R498 T499 Q501 D507 | R430-E503 IonicContact NH2-OE1 2.75Å; F431-E503 WeakPolarHBondContact CD1-OE2 3.19Å; F431-E503 HydrophobicContact CE1-CB 4.5Å; F431-E503 WeakPolarHBondContact CE1-OE1 3.44Å; R498-E503 WeakPolarHBondContact CA-O 3.44Å; T499-E503 HydrophobicContact CG2-CB 4.18Å; T499-E503 PolarHBondContact N-O 2.98Å; T499-E503 VanDerWaalsContact N-O 3.1Å; T499-E503 WeakPolarHBondContact OG1-CB 3.2Å; T499-E503 PolarHBondContact OG1-N 2.83Å; T499-E503 VanDerWaalsContact OG1-N 3.16Å; T499-E503 PolarHBondContact OG1-OE2 2.76Å; Q501-E503 HydrophobicContact CB-CG 4.27Å; E503-D507 HydrophobicContact CB-CB 4.38Å | ||
| 504 | C | 95.4 | Very high | 94.2 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | trans | -102.7 | 174.6 | 178.4 | 73.3 | 0 | 0 | 0 | 0 | 112.2 | R498 S506 D507 I508 | R498-C504 HydrophobicContact CG-CB 4.48Å; C504-S506 PolarHBondContact O-N 2.97Å; C504-S506 VanDerWaalsContact O-N 3.17Å; C504-S506 PolarHBondContact SG-OG 3.18Å; C504-D507 PolarHBondContact N-OD2 2.96Å; C504-D507 WeakPolarHBondContact O-CB 3.46Å; C504-D507 PolarHBondContact O-N 2.82Å; C504-D507 PolarHBondContact SG-OD2 2.97Å; C504-I508 WeakPolarHBondContact O-CG1 3.3Å; C504-I508 PolarHBondContact O-N 3.02Å | ||
| 505 | V | 96 | Very high | 93.9 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.4 | -36.8 | 178.4 | 163.6 | 0 | 0 | 0 | 0 | 112.8 | E479 F480 L481 D507 I508 R509 | E479-V505 HydrophobicContact CB-CB 4.5Å; E479-V505 HydrophobicContact CB-CG2 3.78Å; F480-V505 WeakPolarHBondContact O-CG1 3.39Å; L481-V505 HydrophobicContact CB-CG1 4.37Å; L481-V505 HydrophobicContact CB-CG2 4.42Å; L481-V505 HydrophobicContact CD1-CG1 3.85Å; V505-D507 VanDerWaalsContact C-N 3.33Å; V505-D507 PolarHBondContact O-N 3.08Å; V505-I508 PolarHBondContact O-N 3.32Å; V505-R509 WeakPolarHBondContact O-CG 3.45Å; V505-R509 PolarHBondContact O-N 2.7Å |
| 506 | S | 93.5 | Very high | 93.2 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 178.5 | 81.5 | 0 | 0 | 0 | 0 | 112.4 | C504 R509 K510 | C504-S506 PolarHBondContact O-N 2.97Å; C504-S506 VanDerWaalsContact O-N 3.17Å; C504-S506 PolarHBondContact SG-OG 3.18Å; S506-R509 PolarHBondContact O-N 3.1Å; S506-K510 VanDerWaalsContact O-CG 3.31Å; S506-K510 WeakPolarHBondContact O-CG 3.3Å; S506-K510 PolarHBondContact O-N 3.11Å |
| 507 | D | 94.6 | Very high | 92.5 | Very high | 63 Ų | 63 | 56.5 Ų | 56.5 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.3 | -40.6 | 176 | -55.4 | -45.4 | 0 | 0 | 0 | 110.7 | E503 C504 V505 R509 K510 W511 | E503-D507 HydrophobicContact CB-CB 4.38Å; C504-D507 PolarHBondContact N-OD2 2.96Å; C504-D507 WeakPolarHBondContact O-CB 3.46Å; C504-D507 PolarHBondContact O-N 2.82Å; C504-D507 PolarHBondContact SG-OD2 2.97Å; V505-D507 VanDerWaalsContact C-N 3.33Å; V505-D507 PolarHBondContact O-N 3.08Å; D507-R509 PolarHBondContact O-N 3.41Å; D507-K510 PolarHBondContact O-N 3.3Å; D507-W511 WeakPolarHBondContact O-CB 3.48Å; D507-W511 PolarHBondContact O-N 3.36Å |
| 508 | I | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 175.2 | -62.2 | 172.9 | 0 | 0 | 0 | 110.5 | V427 F431 L481 Y496 C504 V505 W511 M512 | V427-I508 HydrophobicContact CG1-CG2 3.97Å; F431-I508 HydrophobicContact CD1-CG1 4.06Å; F431-I508 HydrophobicContact CD2-CD1 4.47Å; F431-I508 HydrophobicContact CD2-CG1 4.1Å; F431-I508 HydrophobicContact CD2-CG2 4.08Å; F431-I508 HydrophobicContact CE1-CG1 3.89Å; F431-I508 HydrophobicContact CE2-CB 4.17Å; F431-I508 HydrophobicContact CE2-CG1 3.94Å; F431-I508 HydrophobicContact CE2-CG2 3.72Å; F431-I508 HydrophobicContact CG-CD1 4.34Å; F431-I508 HydrophobicContact CG-CG1 4.16Å; F431-I508 HydrophobicContact CZ-CB 4.23Å; F431-I508 HydrophobicContact CZ-CG1 3.83Å; F431-I508 HydrophobicContact CZ-CG2 4.27Å; L481-I508 HydrophobicContact CD1-CB 3.99Å; L481-I508 HydrophobicContact CD1-CG2 3.67Å; L481-I508 HydrophobicContact CD2-CG2 3.96Å; L481-I508 HydrophobicContact CG-CG2 4.48Å; Y496-I508 HydrophobicContact CD1-CD1 3.55Å; Y496-I508 HydrophobicContact CD2-CD1 4.4Å; Y496-I508 HydrophobicContact CE1-CD1 4.16Å; Y496-I508 HydrophobicContact CG-CD1 3.69Å; C504-I508 WeakPolarHBondContact O-CG1 3.3Å; C504-I508 PolarHBondContact O-N 3.02Å; V505-I508 PolarHBondContact O-N 3.32Å; I508-W511 PolarHBondContact O-N 3.43Å; I508-M512 HydrophobicContact CG2-CE 3.92Å; I508-M512 WeakPolarHBondContact O-CG 2.97Å; I508-M512 PolarHBondContact O-N 3.36Å |
| 509 | R | 94 | Very high | 91.5 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.2 | -74.9 | -179.9 | -179.5 | 147.4 | 2.2 | 112.3 | F480 L481 V505 S506 D507 W511 M512 M528 T883 | F480-R509 PolarHBondContact O-NH2 3.46Å; L481-R509 HydrophobicContact CD1-CG 3.92Å; L481-R509 PolarHBondContact O-NE 3.43Å; L481-R509 PolarHBondContact O-NH2 2.87Å; V505-R509 WeakPolarHBondContact O-CG 3.45Å; V505-R509 PolarHBondContact O-N 2.7Å; S506-R509 PolarHBondContact O-N 3.1Å; D507-R509 PolarHBondContact O-N 3.41Å; R509-W511 VanDerWaalsContact C-N 3.32Å; R509-M512 WeakPolarHBondContact O-CB 3.3Å; R509-M512 PolarHBondContact O-N 2.92Å; R509-M528 HydrophobicContact CB-CE 4.13Å; R509-M528 HydrophobicContact CG-CE 4.22Å; R509-M528 HydrophobicContact CG-SD 4.31Å; R509-T883 PolarHBondContact NH1-OG1 3.38Å |
| 510 | K | 92.2 | Very high | 91.3 | Very high | 149 Ų | 149 | 50.8 Ų | 50.8 | 65% | 0.648 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 174.2 | -72.4 | 170.4 | -175.2 | 170.1 | 0 | 111.6 | S506 D507 M512 | S506-K510 VanDerWaalsContact O-CG 3.31Å; S506-K510 WeakPolarHBondContact O-CG 3.3Å; S506-K510 PolarHBondContact O-N 3.11Å; D507-K510 PolarHBondContact O-N 3.3Å; K510-M512 VanDerWaalsContact C-N 3.35Å; K510-M512 PolarHBondContact O-N 3.49Å |
| 511 | W | 93.2 | Very high | 91.5 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67 | -33.4 | 177.6 | 171.5 | 87.6 | 0 | 0 | 0 | 113.1 | R426 V427 R430 F431 D507 I508 R509 G513 T632 | R426-W511 HydrophobicContact CG-CH2 3.83Å; V427-W511 HydrophobicContact CG2-CZ3 4.24Å; R430-W511 HydrophobicContact CB-CH2 3.56Å; R430-W511 HydrophobicContact CB-CZ2 3.5Å; R430-W511 HydrophobicContact CB-CZ3 4.44Å; R430-W511 HydrophobicContact CG-CD2 4.4Å; R430-W511 HydrophobicContact CG-CH2 3.95Å; R430-W511 HydrophobicContact CG-CZ2 3.47Å; R430-W511 VanDerWaalsContact CG-CZ2 3.47Å; F431-W511 HydrophobicContact CD2-CE3 4.5Å; F431-W511 HydrophobicContact CD2-CZ3 4.44Å; F431-W511 AromaticContact CE2-CD2 3.65Å; F431-W511 HydrophobicContact CE2-CD2 3.65Å; F431-W511 AromaticContact CE2-CE3 3.38Å; F431-W511 HydrophobicContact CE2-CE3 3.38Å; F431-W511 HydrophobicContact CE2-CG 4.16Å; F431-W511 HydrophobicContact CE2-CH2 4.22Å; F431-W511 AromaticContact CE2-CZ3 3.68Å; F431-W511 HydrophobicContact CE2-CZ3 3.68Å; F431-W511 HydrophobicContact CZ-CB 3.91Å; F431-W511 AromaticContact CZ-CD2 3.7Å; F431-W511 HydrophobicContact CZ-CD2 3.7Å; F431-W511 AromaticContact CZ-CE3 3.89Å; F431-W511 HydrophobicContact CZ-CE3 3.89Å; F431-W511 AromaticContact CZ-CG 3.71Å; F431-W511 HydrophobicContact CZ-CG 3.71Å; D507-W511 WeakPolarHBondContact O-CB 3.48Å; D507-W511 PolarHBondContact O-N 3.36Å; I508-W511 PolarHBondContact O-N 3.43Å; R509-W511 VanDerWaalsContact C-N 3.32Å; W511-G513 PolarHBondContact O-N 3.48Å; W511-T632 HydrophobicContact CG-CG2 4.47Å; W511-T632 PolarHBondContact O-OG1 2.84Å |
| 512 | M | 93.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.7 | -33.9 | -179.2 | -75.7 | 170.1 | 174 | 0 | 0 | 112.4 | V427 L481 I508 R509 K510 F515 M528 C531 F532 F628 | V427-M512 HydrophobicContact CG2-CE 3.53Å; L481-M512 HydrophobicContact CD1-CE 4Å; L481-M512 HydrophobicContact CD2-CE 3.96Å; L481-M512 HydrophobicContact CG-CE 4.08Å; I508-M512 HydrophobicContact CG2-CE 3.92Å; I508-M512 WeakPolarHBondContact O-CG 2.97Å; I508-M512 PolarHBondContact O-N 3.36Å; R509-M512 WeakPolarHBondContact O-CB 3.3Å; R509-M512 PolarHBondContact O-N 2.92Å; K510-M512 VanDerWaalsContact C-N 3.35Å; K510-M512 PolarHBondContact O-N 3.49Å; M512-F515 HydrophobicContact CB-CE2 3.91Å; M512-F515 HydrophobicContact CB-CZ 3.87Å; M512-M528 HydrophobicContact SD-CB 4.11Å; M512-M528 HydrophobicContact SD-CG 4.26Å; M512-C531 HydrophobicContact CG-CB 4.27Å; M512-F532 HydrophobicContact CE-CE1 3.65Å; M512-F532 HydrophobicContact CE-CE2 4.28Å; M512-F532 HydrophobicContact CE-CZ 3.39Å; M512-F628 VanDerWaalsContact O-CE2 3.28Å; M512-F628 WeakPolarHBondContact O-CE2 3.32Å |
| 513 | G | 92 | Very high | 91.5 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | trans | 157.5 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W511 F515 | W511-G513 PolarHBondContact O-N 3.48Å; G513-F515 VanDerWaalsContact O-CD2 3.25Å; G513-F515 WeakPolarHBondContact O-CD2 3.24Å; G513-F515 WeakPolarHBondContact O-CE2 3.33Å | ||
| 514 | N | 90.9 | Very high | 91.5 | Very high | 79 Ų | 79 | 42.5 Ų | 42.5 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -86 | 116.4 | 168.9 | -176.9 | -38.5 | 0 | 0 | 0 | 108.9 | D516 R629 | N514-D516 PolarHBondContact ND2-OD2 3.23Å; N514-D516 WeakPolarHBondContact OD1-CA 3.47Å; N514-D516 WeakPolarHBondContact OD1-CB 3.47Å; N514-D516 PolarHBondContact OD1-N 2.99Å; N514-D516 PolarHBondContact OD1-OD2 2.95Å; N514-D516 VanDerWaalsContact OD1-OD2 3.12Å; N514-R629 PolarHBondContact N-O 2.85Å |
| 515 | F | 89.7 | Confident | 91.4 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | trans | -107 | 11.6 | 178 | -54.5 | -73.1 | 0 | 0 | 0 | 112.7 | M512 G513 G517 I518 L524 R527 M528 F628 | M512-F515 HydrophobicContact CB-CE2 3.91Å; M512-F515 HydrophobicContact CB-CZ 3.87Å; G513-F515 VanDerWaalsContact O-CD2 3.25Å; G513-F515 WeakPolarHBondContact O-CD2 3.24Å; G513-F515 WeakPolarHBondContact O-CE2 3.33Å; F515-G517 PolarHBondContact O-N 3.41Å; F515-I518 HydrophobicContact CB-CD1 4.16Å; F515-I518 HydrophobicContact CD1-CD1 4.06Å; F515-I518 WeakPolarHBondContact O-CB 3.5Å; F515-I518 WeakPolarHBondContact O-CG1 3.43Å; F515-I518 PolarHBondContact O-N 2.74Å; F515-I518 VanDerWaalsContact O-N 3.13Å; F515-L524 HydrophobicContact CB-CD1 4.22Å; F515-L524 HydrophobicContact CB-CG 4.28Å; F515-R527 HydrophobicContact CD1-CB 3.83Å; F515-R527 HydrophobicContact CE1-CB 3.72Å; F515-M528 HydrophobicContact CD1-CG 4.41Å; F515-M528 HydrophobicContact CD2-CE 3.5Å; F515-M528 HydrophobicContact CD2-CG 4.01Å; F515-M528 HydrophobicContact CE1-CG 4Å; F515-M528 HydrophobicContact CE2-CE 3.71Å; F515-M528 HydrophobicContact CE2-CG 3.55Å; F515-M528 HydrophobicContact CE2-SD 4.5Å; F515-M528 HydrophobicContact CG-CE 4.28Å; F515-M528 HydrophobicContact CG-CG 4.42Å; F515-M528 HydrophobicContact CZ-CB 4.33Å; F515-M528 HydrophobicContact CZ-CG 3.55Å; F515-F628 HydrophobicContact CD1-CB 4Å; F515-F628 HydrophobicContact CD1-CD2 4.38Å; F515-F628 HydrophobicContact CD1-CG 4.1Å; F515-F628 HydrophobicContact CE1-CB 4.08Å; F515-F628 AromaticContact CE1-CD1 3.93Å; F515-F628 HydrophobicContact CE1-CD1 3.93Å; F515-F628 AromaticContact CE1-CD2 3.73Å; F515-F628 HydrophobicContact CE1-CD2 3.73Å; F515-F628 HydrophobicContact CE1-CE1 4.25Å; F515-F628 HydrophobicContact CE1-CE2 4.09Å; F515-F628 AromaticContact CE1-CG 3.65Å; F515-F628 HydrophobicContact CE1-CG 3.65Å; F515-F628 HydrophobicContact CE1-CZ 4.32Å; F515-F628 HydrophobicContact CZ-CD2 4.2Å; F515-F628 HydrophobicContact CZ-CE2 4.24Å | ||
| 516 | D | 84.4 | Confident | 91.2 | Very high | 136 Ų | 136 | 41.2 Ų | 41.2 | 73% | 0.727 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 136.1 | 177.2 | -56.3 | -27.1 | 0 | 0 | 0 | 109.7 | N514 I518 | N514-D516 PolarHBondContact ND2-OD2 3.23Å; N514-D516 WeakPolarHBondContact OD1-CA 3.47Å; N514-D516 WeakPolarHBondContact OD1-CB 3.47Å; N514-D516 PolarHBondContact OD1-N 2.99Å; N514-D516 PolarHBondContact OD1-OD2 2.95Å; N514-D516 VanDerWaalsContact OD1-OD2 3.12Å; D516-I518 VanDerWaalsContact C-N 3.33Å |
| 517 | G | 83 | Confident | 91.2 | Very high | 85 Ų | 85 | 40.6 Ų | 40.6 | 88% | 0.876 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -9.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | F515 G519 | F515-G517 PolarHBondContact O-N 3.41Å; G517-G519 PolarHBondContact O-N 3.05Å |
| 518 | I | 86.6 | Confident | 91.1 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | trans | -79.9 | 89.6 | 168.6 | -54.3 | 178 | 0 | 0 | 0 | 108.8 | F515 D516 N520 K523 L524 R527 | F515-I518 HydrophobicContact CB-CD1 4.16Å; F515-I518 HydrophobicContact CD1-CD1 4.06Å; F515-I518 WeakPolarHBondContact O-CB 3.5Å; F515-I518 WeakPolarHBondContact O-CG1 3.43Å; F515-I518 PolarHBondContact O-N 2.74Å; F515-I518 VanDerWaalsContact O-N 3.13Å; D516-I518 VanDerWaalsContact C-N 3.33Å; I518-N520 PolarHBondContact O-N 3.24Å; I518-N520 VanDerWaalsContact O-N 3.09Å; I518-K523 HydrophobicContact CG2-CB 3.87Å; I518-K523 HydrophobicContact CG2-CD 4.21Å; I518-K523 HydrophobicContact CG2-CG 3.93Å; I518-L524 HydrophobicContact CB-CB 4.39Å; I518-L524 HydrophobicContact CG2-CB 3.86Å; I518-R527 HydrophobicContact CD1-CB 4.11Å; I518-R527 HydrophobicContact CD1-CG 3.54Å | ||
| 519 | G | 84.8 | Confident | 91 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | trans | -74.3 | 9.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G517 K876 F877 | G517-G519 PolarHBondContact O-N 3.05Å; G519-K876 CarbonylContact O-C 3.42Å; G519-K876 VanDerWaalsContact O-CA 3.24Å; G519-K876 WeakPolarHBondContact O-CA 3.36Å; G519-F877 WeakPolarHBondContact O-CB 3.29Å; G519-F877 PolarHBondContact O-N 2.9Å | ||
| 520 | N | 90.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -136.7 | 145.6 | 176.8 | 79.5 | 41.4 | 0 | 0 | 0 | 111.4 | I518 P522 K523 L524 V874 | I518-N520 PolarHBondContact O-N 3.24Å; I518-N520 VanDerWaalsContact O-N 3.09Å; N520-P522 WeakPolarHBondContact OD1-CD 3.45Å; N520-K523 WeakPolarHBondContact OD1-CA 3.5Å; N520-K523 WeakPolarHBondContact OD1-CB 3.35Å; N520-K523 PolarHBondContact OD1-N 2.91Å; N520-L524 VanDerWaalsContact O-CB 3.31Å; N520-L524 WeakPolarHBondContact O-CB 3.49Å; N520-L524 PolarHBondContact O-N 3.13Å; N520-L524 VanDerWaalsContact O-N 3.08Å; N520-V874 HydrophobicContact CB-CG1 4.21Å; N520-V874 WeakPolarHBondContact ND2-CG1 3.49Å |
| 521 | V | 93.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -48.7 | -176.6 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | K523 L524 M525 F877 I881 A885 M886 F889 | V521-K523 PolarHBondContact O-N 3.42Å; V521-L524 PolarHBondContact O-N 2.89Å; V521-M525 HydrophobicContact CG1-CG 4.11Å; V521-M525 WeakPolarHBondContact O-CB 3.48Å; V521-M525 VanDerWaalsContact O-CG 3.31Å; V521-M525 WeakPolarHBondContact O-CG 3.41Å; V521-M525 PolarHBondContact O-N 3.43Å; V521-F877 HydrophobicContact CG2-CD2 3.65Å; V521-F877 HydrophobicContact CG2-CE2 4Å; V521-F877 HydrophobicContact CG2-CG 4.16Å; V521-I881 HydrophobicContact CG1-CG2 4.48Å; V521-I881 HydrophobicContact CG2-CD1 4.31Å; V521-I881 HydrophobicContact CG2-CG1 4.17Å; V521-I881 HydrophobicContact CG2-CG2 3.9Å; V521-A885 HydrophobicContact CG2-CB 4.13Å; V521-M886 HydrophobicContact CG1-CB 4.46Å; V521-M886 HydrophobicContact CG1-CG 4.26Å; V521-F889 HydrophobicContact CB-CB 4.48Å; V521-F889 HydrophobicContact CG1-CB 3.91Å; V521-F889 HydrophobicContact CG1-CG 4.46Å |
| 522 | P | 92.8 | Very high | 90.4 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | -175.3 | -22.5 | 34.5 | 0 | 0 | 0 | 113 | N520 M525 S526 F889 P934 | N520-P522 WeakPolarHBondContact OD1-CD 3.45Å; P522-M525 PolarHBondContact O-N 3.47Å; P522-S526 WeakPolarHBondContact O-CB 3.33Å; P522-S526 PolarHBondContact O-N 2.96Å; P522-F889 HydrophobicContact CB-CD1 4.22Å; P522-F889 HydrophobicContact CB-CE1 3.63Å; P522-F889 HydrophobicContact CB-CE2 4.03Å; P522-F889 HydrophobicContact CB-CZ 3.52Å; P522-F889 HydrophobicContact CG-CD1 4.09Å; P522-F889 HydrophobicContact CG-CD2 3.74Å; P522-F889 HydrophobicContact CG-CE1 3.85Å; P522-F889 HydrophobicContact CG-CE2 3.5Å; P522-F889 HydrophobicContact CG-CG 4.04Å; P522-F889 HydrophobicContact CG-CZ 3.55Å; P522-P934 WeakPolarHBondContact CB-O 3.48Å |
| 523 | K | 92.1 | Very high | 89.8 | Confident | 93 Ų | 93 | 30.3 Ų | 30.3 | 40% | 0.404 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.3 | -41.8 | 177.2 | -168.8 | 173.8 | 180 | 176.5 | 0 | 110.9 | I518 N520 V521 S526 R527 K935 | I518-K523 HydrophobicContact CG2-CB 3.87Å; I518-K523 HydrophobicContact CG2-CD 4.21Å; I518-K523 HydrophobicContact CG2-CG 3.93Å; N520-K523 WeakPolarHBondContact OD1-CA 3.5Å; N520-K523 WeakPolarHBondContact OD1-CB 3.35Å; N520-K523 PolarHBondContact OD1-N 2.91Å; V521-K523 PolarHBondContact O-N 3.42Å; K523-S526 PolarHBondContact O-N 2.61Å; K523-R527 VanDerWaalsContact O-CG 3.31Å; K523-R527 WeakPolarHBondContact O-CG 3.46Å; K523-R527 PolarHBondContact O-N 3.4Å; K523-K935 PolarHBondContact N-O 3.48Å |
| 524 | L | 93.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -49.6 | 175.2 | 179.3 | 152.4 | 0 | 0 | 0 | 110.3 | F515 I518 N520 V521 S526 R527 M528 I881 M886 | F515-L524 HydrophobicContact CB-CD1 4.22Å; F515-L524 HydrophobicContact CB-CG 4.28Å; I518-L524 HydrophobicContact CB-CB 4.39Å; I518-L524 HydrophobicContact CG2-CB 3.86Å; N520-L524 VanDerWaalsContact O-CB 3.31Å; N520-L524 WeakPolarHBondContact O-CB 3.49Å; N520-L524 PolarHBondContact O-N 3.13Å; N520-L524 VanDerWaalsContact O-N 3.08Å; V521-L524 PolarHBondContact O-N 2.89Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 3.12Å; L524-R527 WeakPolarHBondContact O-CA 3.36Å; L524-R527 WeakPolarHBondContact O-CB 3.5Å; L524-R527 PolarHBondContact O-N 3Å; L524-M528 HydrophobicContact CD2-CE 3.71Å; L524-M528 HydrophobicContact CD2-CG 4.29Å; L524-M528 HydrophobicContact CD2-SD 3.65Å; L524-M528 HydrophobicContact CG-CE 4.43Å; L524-M528 PolarHBondContact O-N 3.38Å; L524-I881 HydrophobicContact CB-CD1 4.45Å; L524-I881 HydrophobicContact CD1-CB 4.37Å; L524-I881 HydrophobicContact CD1-CD1 3.71Å; L524-I881 HydrophobicContact CD1-CG2 4.3Å; L524-M886 HydrophobicContact CD2-CE 3.95Å |
| 525 | M | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -36.8 | 177.9 | -66.4 | -52.9 | -61.5 | 0 | 0 | 112.3 | F480 W483 V521 P522 R527 M528 G529 M886 | F480-M525 HydrophobicContact CZ-CE 4.25Å; W483-M525 HydrophobicContact CD2-CE 3.93Å; W483-M525 HydrophobicContact CE3-CE 3.72Å; W483-M525 HydrophobicContact CH2-CB 4.15Å; W483-M525 HydrophobicContact CH2-CE 3.81Å; W483-M525 HydrophobicContact CH2-CG 3.66Å; W483-M525 HydrophobicContact CH2-SD 4.35Å; W483-M525 HydrophobicContact CZ2-CB 3.45Å; W483-M525 VanDerWaalsContact CZ2-CB 3.45Å; W483-M525 HydrophobicContact CZ2-CE 4Å; W483-M525 HydrophobicContact CZ2-CG 3.48Å; W483-M525 VanDerWaalsContact CZ2-CG 3.48Å; W483-M525 HydrophobicContact CZ3-CE 3.69Å; W483-M525 HydrophobicContact CZ3-CG 4.49Å; V521-M525 HydrophobicContact CG1-CG 4.11Å; V521-M525 WeakPolarHBondContact O-CB 3.48Å; V521-M525 VanDerWaalsContact O-CG 3.31Å; V521-M525 WeakPolarHBondContact O-CG 3.41Å; V521-M525 PolarHBondContact O-N 3.43Å; P522-M525 PolarHBondContact O-N 3.47Å; M525-R527 PolarHBondContact O-N 2.88Å; M525-M528 HydrophobicContact SD-SD 4.12Å; M525-G529 WeakPolarHBondContact O-CA 3.38Å; M525-G529 PolarHBondContact O-N 2.86Å; M525-M886 HydrophobicContact CE-SD 4.43Å; M525-M886 HydrophobicContact CG-CG 4.32Å; M525-M886 HydrophobicContact SD-CB 4.06Å; M525-M886 HydrophobicContact SD-CE 4.36Å; M525-M886 HydrophobicContact SD-CG 3.63Å; M525-M886 HydrophobicContact SD-SD 3.56Å |
| 526 | S | 91.8 | Very high | 87.2 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -24.6 | 172.3 | 180 | 0 | 0 | 0 | 0 | 112.8 | N485 P522 K523 L524 Q530 | N485-S526 PolarHBondContact ND2-OG 3.4Å; P522-S526 WeakPolarHBondContact O-CB 3.33Å; P522-S526 PolarHBondContact O-N 2.96Å; K523-S526 PolarHBondContact O-N 2.61Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 3.12Å; S526-Q530 WeakPolarHBondContact O-CG 3.41Å |
| 527 | R | 92.9 | Very high | 86.3 | Confident | 42 Ų | 42 | 26.5 Ų | 26.5 | 16% | 0.158 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -81.7 | -50.1 | 174.6 | -64.5 | -31.3 | -175.4 | -159.5 | 2.3 | 111.7 | F515 I518 K523 L524 M525 G529 Q530 F628 | F515-R527 HydrophobicContact CD1-CB 3.83Å; F515-R527 HydrophobicContact CE1-CB 3.72Å; I518-R527 HydrophobicContact CD1-CB 4.11Å; I518-R527 HydrophobicContact CD1-CG 3.54Å; K523-R527 VanDerWaalsContact O-CG 3.31Å; K523-R527 WeakPolarHBondContact O-CG 3.46Å; K523-R527 PolarHBondContact O-N 3.4Å; L524-R527 WeakPolarHBondContact O-CA 3.36Å; L524-R527 WeakPolarHBondContact O-CB 3.5Å; L524-R527 PolarHBondContact O-N 3Å; M525-R527 PolarHBondContact O-N 2.88Å; R527-G529 PolarHBondContact O-N 3.34Å; R527-Q530 VanDerWaalsContact O-CB 3.31Å; R527-Q530 WeakPolarHBondContact O-CB 3.47Å; R527-Q530 WeakPolarHBondContact O-CG 3.32Å; R527-Q530 PolarHBondContact O-N 2.93Å; R527-F628 HydrophobicContact CB-CD1 3.88Å; R527-F628 HydrophobicContact CB-CE1 4.42Å; R527-F628 HydrophobicContact CG-CD1 4.35Å |
| 528 | M | 92.9 | Very high | 85.4 | Confident | 11 Ų | 11 | 22.8 Ų | 22.8 | 5% | 0.054 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -53.3 | -41.1 | 170.9 | -72.5 | -176.4 | 171.8 | 0 | 0 | 111.2 | R509 M512 F515 L524 M525 Q530 C531 | R509-M528 HydrophobicContact CB-CE 4.13Å; R509-M528 HydrophobicContact CG-CE 4.22Å; R509-M528 HydrophobicContact CG-SD 4.31Å; M512-M528 HydrophobicContact SD-CB 4.11Å; M512-M528 HydrophobicContact SD-CG 4.26Å; F515-M528 HydrophobicContact CD1-CG 4.41Å; F515-M528 HydrophobicContact CD2-CE 3.5Å; F515-M528 HydrophobicContact CD2-CG 4.01Å; F515-M528 HydrophobicContact CE1-CG 4Å; F515-M528 HydrophobicContact CE2-CE 3.71Å; F515-M528 HydrophobicContact CE2-CG 3.55Å; F515-M528 HydrophobicContact CE2-SD 4.5Å; F515-M528 HydrophobicContact CG-CE 4.28Å; F515-M528 HydrophobicContact CG-CG 4.42Å; F515-M528 HydrophobicContact CZ-CB 4.33Å; F515-M528 HydrophobicContact CZ-CG 3.55Å; L524-M528 HydrophobicContact CD2-CE 3.71Å; L524-M528 HydrophobicContact CD2-CG 4.29Å; L524-M528 HydrophobicContact CD2-SD 3.65Å; L524-M528 HydrophobicContact CG-CE 4.43Å; L524-M528 PolarHBondContact O-N 3.38Å; M525-M528 HydrophobicContact SD-SD 4.12Å; M528-Q530 PolarHBondContact O-N 2.76Å; M528-C531 WeakPolarHBondContact O-CB 3.13Å; M528-C531 PolarHBondContact O-N 3.37Å; M528-C531 VanDerWaalsContact O-N 3.11Å |
| 529 | G | 91.8 | Very high | 85 | Confident | 4 Ų | 4 | 22 Ų | 22 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -59.7 | -18.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | W483 S484 M525 R527 C531 F532 | W483-G529 WeakPolarHBondContact O-CA 3.44Å; S484-G529 WeakPolarHBondContact CB-O 3.47Å; M525-G529 WeakPolarHBondContact O-CA 3.38Å; M525-G529 PolarHBondContact O-N 2.86Å; R527-G529 PolarHBondContact O-N 3.34Å; G529-C531 VanDerWaalsContact C-N 3.28Å; G529-C531 PolarHBondContact O-N 3.13Å; G529-F532 PolarHBondContact O-N 2.79Å |
| 530 | Q | 89.9 | Confident | 85 | Confident | 16 Ų | 16 | 27.6 Ų | 27.6 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -66.7 | -32 | 176.7 | -62.8 | -178.6 | -2.8 | 0 | 0 | 111.8 | S526 R527 M528 F532 T533 F628 | S526-Q530 WeakPolarHBondContact O-CG 3.41Å; R527-Q530 VanDerWaalsContact O-CB 3.31Å; R527-Q530 WeakPolarHBondContact O-CB 3.47Å; R527-Q530 WeakPolarHBondContact O-CG 3.32Å; R527-Q530 PolarHBondContact O-N 2.93Å; M528-Q530 PolarHBondContact O-N 2.76Å; Q530-F532 PolarHBondContact O-N 3.31Å; Q530-T533 WeakPolarHBondContact O-CB 3.5Å; Q530-T533 PolarHBondContact O-N 2.83Å; Q530-T533 VanDerWaalsContact O-N 3.11Å; Q530-T533 PolarHBondContact O-OG1 3.32Å; Q530-F628 HydrophobicContact CB-CE1 4.5Å |
| 531 | C | 89.9 | Confident | 85 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -67.6 | -15.9 | 177 | -62 | 0 | 0 | 0 | 0 | 113.2 | R426 V427 M512 M528 G529 | R426-C531 HydrophobicContact CB-CB 4.43Å; R426-C531 WeakPolarHBondContact CB-O 3.46Å; R426-C531 PolarHBondContact N-O 2.78Å; V427-C531 HydrophobicContact CG2-CB 3.72Å; M512-C531 HydrophobicContact CG-CB 4.27Å; M528-C531 WeakPolarHBondContact O-CB 3.13Å; M528-C531 PolarHBondContact O-N 3.37Å; M528-C531 VanDerWaalsContact O-N 3.11Å; G529-C531 VanDerWaalsContact C-N 3.28Å; G529-C531 PolarHBondContact O-N 3.13Å |
| 532 | F | 88.3 | Confident | 84.7 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -91.5 | -0.1 | 175.1 | -54.6 | -52.2 | 0 | 0 | 0 | 113.8 | V427 L481 Y494 M512 G529 Q530 Q534 | V427-F532 HydrophobicContact CB-CD1 4.35Å; V427-F532 HydrophobicContact CB-CE1 4.23Å; V427-F532 HydrophobicContact CG1-CE1 4.41Å; V427-F532 HydrophobicContact CG2-CD1 3.87Å; V427-F532 HydrophobicContact CG2-CE1 3.69Å; L481-F532 HydrophobicContact CD2-CE1 3.81Å; L481-F532 HydrophobicContact CD2-CZ 3.88Å; L481-F532 HydrophobicContact CG-CE1 4.45Å; L481-F532 HydrophobicContact CG-CZ 4.01Å; Y494-F532 HydrophobicContact CD2-CB 4.26Å; Y494-F532 AromaticContact CD2-CD1 3.46Å; Y494-F532 HydrophobicContact CD2-CD1 3.46Å; Y494-F532 VanDerWaalsContact CD2-CD1 3.46Å; Y494-F532 HydrophobicContact CD2-CD2 4.21Å; Y494-F532 AromaticContact CD2-CE1 3.75Å; Y494-F532 HydrophobicContact CD2-CE1 3.75Å; Y494-F532 AromaticContact CD2-CG 3.72Å; Y494-F532 HydrophobicContact CD2-CG 3.72Å; Y494-F532 HydrophobicContact CD2-CZ 4.28Å; Y494-F532 HydrophobicContact CE2-CB 3.94Å; Y494-F532 AromaticContact CE2-CD1 3.72Å; Y494-F532 HydrophobicContact CE2-CD1 3.72Å; Y494-F532 HydrophobicContact CE2-CE1 4.43Å; Y494-F532 AromaticContact CE2-CG 3.89Å; Y494-F532 HydrophobicContact CE2-CG 3.89Å; Y494-F532 HydrophobicContact CG-CD1 4.24Å; Y494-F532 HydrophobicContact CG-CE1 4.15Å; M512-F532 HydrophobicContact CE-CE1 3.65Å; M512-F532 HydrophobicContact CE-CE2 4.28Å; M512-F532 HydrophobicContact CE-CZ 3.39Å; G529-F532 PolarHBondContact O-N 2.79Å; Q530-F532 PolarHBondContact O-N 3.31Å; F532-Q534 PolarHBondContact O-N 3.39Å |
| 533 | T | 80.3 | Confident | 84.5 | Confident | 26 Ų | 26 | 34.6 Ų | 34.6 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | trans | -64.1 | 122.2 | 176.9 | -48.8 | 0 | 0 | 0 | 0 | 109.4 | N425 Q530 S535 V639 | N425-T533 WeakPolarHBondContact CB-O 3.37Å; Q530-T533 WeakPolarHBondContact O-CB 3.5Å; Q530-T533 PolarHBondContact O-N 2.83Å; Q530-T533 VanDerWaalsContact O-N 3.11Å; Q530-T533 PolarHBondContact O-OG1 3.32Å; T533-S535 PolarHBondContact O-N 2.92Å; T533-S535 PolarHBondContact O-OG 3.08Å; T533-V639 HydrophobicContact CG2-CG1 4.25Å; T533-V639 HydrophobicContact CG2-CG2 3.96Å | ||
| 534 | Q | 77 | Confident | 84.3 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | trans | -63.2 | 127.9 | 172.2 | -66.6 | -173.8 | 2.9 | 0 | 0 | 109.5 | L423 F532 | L423-Q534 HydrophobicContact CB-CB 4.04Å; L423-Q534 HydrophobicContact CB-CG 4.41Å; L423-Q534 WeakPolarHBondContact O-CG 3.31Å; F532-Q534 PolarHBondContact O-N 3.39Å | ||
| 535 | S | 71.2 | Confident | 84.1 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | trans | -153.6 | 153.2 | -172.7 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | S424 R429 T533 | S424-S535 PolarHBondContact O-N 3.48Å; R429-S535 PolarHBondContact NH2-OG 3.25Å; T533-S535 PolarHBondContact O-N 2.92Å; T533-S535 PolarHBondContact O-OG 3.08Å | ||
| 536 | L | 68.7 | Low | 83.9 | Confident | 56 Ų | 56 | 38 Ų | 38 | 29% | 0.293 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 127.3 | 167 | -64 | 172.9 | 0 | 0 | 0 | 108.1 | L423 A538 L587 I638 | L423-L536 HydrophobicContact CD2-CD2 4.22Å; L536-A538 PolarHBondContact O-N 2.98Å; L536-L587 HydrophobicContact CB-CD2 3.78Å; L536-L587 HydrophobicContact CD1-CD2 4.07Å; L536-I638 PolarHBondContact N-O 2.77Å; L536-I638 VanDerWaalsContact N-O 3.1Å; L536-I638 PolarHBondContact O-N 2.81Å; L536-I638 VanDerWaalsContact O-N 3.11Å |
| 537 | S | 65.6 | Low | 84 | Confident | 60 Ų | 60 | 38.7 Ų | 38.7 | 42% | 0.42 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 110 | 172.2 | -169.7 | 0 | 0 | 0 | 0 | 107.6 | V635 | S537-V635 WeakPolarHBondContact OG-CG1 3.15Å |
| 538 | A | 64.1 | Low | 84 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -76.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L536 V583 K586 L587 L636 I638 | L536-A538 PolarHBondContact O-N 2.98Å; A538-V583 HydrophobicContact CB-CG1 4.1Å; A538-K586 WeakPolarHBondContact O-CG 3.25Å; A538-L587 HydrophobicContact CB-CD1 4.2Å; A538-L587 HydrophobicContact CB-CD2 4.13Å; A538-L587 HydrophobicContact CB-CG 4.09Å; A538-L636 PolarHBondContact N-O 2.8Å; A538-I638 HydrophobicContact CB-CG1 3.83Å |
| 539 | V | 79.2 | Confident | 84.2 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.8 | -166.7 | -178 | 0 | 0 | 0 | 0 | 110.3 | I541 L579 E582 V583 K586 L636 | V539-I541 HydrophobicContact CB-CD1 4.41Å; V539-I541 HydrophobicContact CG1-CD1 4.07Å; V539-L579 HydrophobicContact CG1-CD1 4.5Å; V539-E582 HydrophobicContact CG1-CG 4.49Å; V539-E582 WeakPolarHBondContact CG1-OE1 3.4Å; V539-E582 HydrophobicContact CG2-CG 4.25Å; V539-V583 HydrophobicContact CB-CG2 4.33Å; V539-V583 HydrophobicContact CG2-CB 4.4Å; V539-V583 HydrophobicContact CG2-CG2 3.75Å; V539-K586 HydrophobicContact CG2-CB 4.34Å; V539-L636 WeakPolarHBondContact O-CB 3.41Å; V539-L636 PolarHBondContact O-N 3.49Å |
| 540 | E | 85 | Confident | 84.3 | Confident | 146 Ų | 146 | 42.6 Ų | 42.6 | 68% | 0.682 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124 | 167.4 | -174.3 | 171 | -170.8 | 0 | 0 | 108.9 | P542 | E540-P542 WeakPolarHBondContact O-CD 3.37Å |
| 541 | I | 89.1 | Confident | 84.6 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -94.5 | 115.8 | -176.8 | -53.7 | -62.5 | 0 | 0 | 0 | 107.6 | V539 Y543 V550 L579 F600 M619 N634 L636 | V539-I541 HydrophobicContact CB-CD1 4.41Å; V539-I541 HydrophobicContact CG1-CD1 4.07Å; I541-Y543 HydrophobicContact CG2-CD2 3.98Å; I541-Y543 PolarHBondContact O-N 3.41Å; I541-V550 HydrophobicContact CG2-CG2 4.11Å; I541-L579 HydrophobicContact CD1-CD1 3.88Å; I541-L579 HydrophobicContact CD1-CD2 3.99Å; I541-F600 HydrophobicContact CB-CE2 3.68Å; I541-F600 HydrophobicContact CB-CZ 3.97Å; I541-F600 HydrophobicContact CG1-CD2 4.24Å; I541-F600 HydrophobicContact CG1-CE2 3.57Å; I541-F600 HydrophobicContact CG1-CZ 4.25Å; I541-F600 HydrophobicContact CG2-CE2 4.38Å; I541-F600 HydrophobicContact CG2-CZ 4.22Å; I541-M619 HydrophobicContact CB-CE 4.26Å; I541-M619 HydrophobicContact CD1-CE 3.98Å; I541-M619 HydrophobicContact CG1-CE 3.69Å; I541-M619 HydrophobicContact CG2-CE 3.76Å; I541-N634 PolarHBondContact N-O 3.16Å; I541-N634 WeakPolarHBondContact O-CB 3.48Å; I541-L636 HydrophobicContact CD1-CB 4.15Å; I541-L636 HydrophobicContact CD1-CD2 4.36Å; I541-L636 HydrophobicContact CG1-CB 3.92Å | ||
| 542 | P | 87.9 | Confident | 84.9 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 66% | 0.656 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -73.4 | 1 | -175 | 30.6 | -35.6 | 0 | 0 | 0 | 113.4 | E540 | E540-P542 WeakPolarHBondContact O-CD 3.37Š|
| 543 | Y | 89.3 | Confident | 85.3 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 30% | 0.302 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -111.3 | 127.4 | -175.8 | -47.4 | -70.4 | 0 | 0 | 0 | 110.3 | I541 E549 K618 | I541-Y543 HydrophobicContact CG2-CD2 3.98Å; I541-Y543 PolarHBondContact O-N 3.41Å; Y543-E549 HydrophobicContact CD1-CB 3.81Å; Y543-E549 HydrophobicContact CD1-CG 3.54Å; Y543-E549 HydrophobicContact CD2-CB 3.86Å; Y543-E549 HydrophobicContact CD2-CG 4.28Å; Y543-E549 HydrophobicContact CE1-CB 4.29Å; Y543-E549 HydrophobicContact CE1-CG 3.66Å; Y543-E549 HydrophobicContact CE2-CB 4.33Å; Y543-E549 HydrophobicContact CE2-CG 4.38Å; Y543-E549 HydrophobicContact CG-CB 3.57Å; Y543-E549 HydrophobicContact CG-CG 3.87Å; Y543-K618 HydrophobicContact CD2-CG 4.28Å; Y543-K618 HydrophobicContact CE2-CG 3.91Å |
| 544 | P | 88 | Confident | 86 | Confident | 74 Ų | 74 | 52.6 Ų | 52.6 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | trans | -71.3 | 154.2 | 176.2 | 30.6 | -34 | 0 | 0 | 0 | 110.9 | G546 S547 | P544-G546 PolarHBondContact O-N 2.83Å; P544-S547 VanDerWaalsContact O-CB 3.32Å; P544-S547 WeakPolarHBondContact O-CB 3.48Å; P544-S547 PolarHBondContact O-N 3.33Å; P544-S547 PolarHBondContact O-OG 2.88Å | ||
| 545 | I | 89.6 | Confident | 86.9 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136.4 | 173 | -166.5 | 173.7 | 0 | 0 | 0 | 111.4 | I552 F600 C603 F621 L626 | I545-I552 HydrophobicContact CD1-CD1 3.73Å; I545-I552 HydrophobicContact CD1-CG1 4.11Å; I545-I552 HydrophobicContact CG1-CD1 3.82Å; I545-I552 HydrophobicContact CG1-CG1 3.87Å; I545-F600 HydrophobicContact CB-CE1 4.47Å; I545-C603 WeakPolarHBondContact CD1-SG 3.43Å; I545-F621 HydrophobicContact CD1-CD2 4.3Å; I545-F621 HydrophobicContact CG1-CD2 4.36Å; I545-L626 HydrophobicContact CD1-CD1 3.9Å |
| 546 | G | 90.3 | Very high | 88.1 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 56% | 0.557 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -1.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P544 V550 | P544-G546 PolarHBondContact O-N 2.83Å; G546-V550 WeakPolarHBondContact CA-O 3.3Å; G546-V550 PolarHBondContact N-O 2.5Å |
| 547 | S | 92.9 | Very high | 89.3 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -70.1 | 171.8 | 170.2 | 85.5 | 0 | 0 | 0 | 0 | 111.7 | P544 E549 V550 P551 | P544-S547 VanDerWaalsContact O-CB 3.32Å; P544-S547 WeakPolarHBondContact O-CB 3.48Å; P544-S547 PolarHBondContact O-N 3.33Å; P544-S547 PolarHBondContact O-OG 2.88Å; S547-E549 VanDerWaalsContact CB-OE2 3.25Å; S547-E549 WeakPolarHBondContact CB-OE2 3.34Å; S547-E549 PolarHBondContact O-N 2.79Å; S547-E549 PolarHBondContact OG-N 3.46Å; S547-E549 PolarHBondContact OG-OE2 2.9Å; S547-V550 CarbonylContact O-C 3.28Å; S547-V550 VanDerWaalsContact O-C 3.28Å; S547-V550 PolarHBondContact O-N 3.12Å; S547-V550 PolarHBondContact OG-N 3.4Å; S547-P551 WeakPolarHBondContact O-CA 3.25Å; S547-P551 WeakPolarHBondContact O-CD 3.28Å; S547-P551 VanDerWaalsContact O-N 3.09Å |
| 548 | S | 94 | Very high | 90.6 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 59% | 0.594 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -61.1 | -29.3 | 173.8 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | Q617 | S548-Q617 WeakPolarHBondContact O-CG 3.44Š|
| 549 | E | 95.3 | Very high | 91.8 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -83.3 | -31.4 | 179.2 | -56.5 | 84.7 | 175.3 | 0 | 0 | 113.1 | Y543 S547 V616 K618 M619 | Y543-E549 HydrophobicContact CD1-CB 3.81Å; Y543-E549 HydrophobicContact CD1-CG 3.54Å; Y543-E549 HydrophobicContact CD2-CB 3.86Å; Y543-E549 HydrophobicContact CD2-CG 4.28Å; Y543-E549 HydrophobicContact CE1-CB 4.29Å; Y543-E549 HydrophobicContact CE1-CG 3.66Å; Y543-E549 HydrophobicContact CE2-CB 4.33Å; Y543-E549 HydrophobicContact CE2-CG 4.38Å; Y543-E549 HydrophobicContact CG-CB 3.57Å; Y543-E549 HydrophobicContact CG-CG 3.87Å; S547-E549 VanDerWaalsContact CB-OE2 3.25Å; S547-E549 WeakPolarHBondContact CB-OE2 3.34Å; S547-E549 PolarHBondContact O-N 2.79Å; S547-E549 PolarHBondContact OG-N 3.46Å; S547-E549 PolarHBondContact OG-OE2 2.9Å; E549-V616 VanDerWaalsContact CA-O 3.3Å; E549-V616 WeakPolarHBondContact CA-O 3.3Å; E549-V616 HydrophobicContact CG-CG1 4.37Å; E549-V616 WeakPolarHBondContact CG-O 3.47Å; E549-K618 HydrophobicContact CB-CG 4.13Å; E549-K618 PolarHBondContact O-N 2.81Å; E549-M619 PolarHBondContact O-N 2.91Å |
| 550 | V | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -127.4 | 60.8 | 179.6 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | I541 G546 S547 F600 M619 F621 | I541-V550 HydrophobicContact CG2-CG2 4.11Å; G546-V550 WeakPolarHBondContact CA-O 3.3Å; G546-V550 PolarHBondContact N-O 2.5Å; S547-V550 CarbonylContact O-C 3.28Å; S547-V550 VanDerWaalsContact O-C 3.28Å; S547-V550 PolarHBondContact O-N 3.12Å; S547-V550 PolarHBondContact OG-N 3.4Å; V550-F600 HydrophobicContact CG1-CE1 4.16Å; V550-M619 WeakPolarHBondContact CA-O 3.39Å; V550-M619 HydrophobicContact CG1-CB 4.36Å; V550-M619 HydrophobicContact CG1-CE 4.21Å; V550-M619 HydrophobicContact CG2-CE 4.08Å; V550-F621 HydrophobicContact CG1-CD2 3.64Å; V550-F621 HydrophobicContact CG1-CE2 3.42Å; V550-F621 VanDerWaalsContact CG1-CE2 3.42Å |
| 551 | P | 96.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 13% | 0.13 | 33% | 0.326 | C | S | . | . | trans | -70.2 | 156.2 | -176.8 | 28.9 | -38.4 | 0 | 0 | 0 | 112.7 | S547 Q617 M619 V620 F621 | S547-P551 WeakPolarHBondContact O-CA 3.25Å; S547-P551 WeakPolarHBondContact O-CD 3.28Å; S547-P551 VanDerWaalsContact O-N 3.09Å; P551-Q617 HydrophobicContact CG-CG 4.06Å; P551-M619 VanDerWaalsContact CD-O 3.28Å; P551-M619 WeakPolarHBondContact CD-O 3.36Å; P551-V620 HydrophobicContact CG-CG2 4.08Å; P551-F621 PolarHBondContact O-N 2.79Å | ||
| 552 | I | 96.5 | Very high | 92.3 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.2 | 164.5 | -52 | -176.8 | 0 | 0 | 0 | 107.8 | I545 F621 E623 L626 | I545-I552 HydrophobicContact CD1-CD1 3.73Å; I545-I552 HydrophobicContact CD1-CG1 4.11Å; I545-I552 HydrophobicContact CG1-CD1 3.82Å; I545-I552 HydrophobicContact CG1-CG1 3.87Å; I552-F621 CarbonylContact C-O 3.48Å; I552-F621 WeakPolarHBondContact CA-O 3.44Å; I552-F621 HydrophobicContact CG1-CB 4.48Å; I552-E623 HydrophobicContact CG2-CG 4.08Å; I552-L626 HydrophobicContact CD1-CD2 3.77Å |
| 553 | Q | 95.7 | Very high | 92.3 | Very high | 61 Ų | 61 | 66.8 Ų | 66.8 | 29% | 0.285 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 156.5 | 176.2 | -67.4 | -178.1 | 3.6 | 0 | 0 | 111.1 | V620 F621 R622 E623 | Q553-V620 HydrophobicContact CB-CG1 4.3Å; Q553-V620 HydrophobicContact CG-CG1 3.69Å; Q553-F621 PolarHBondContact N-O 3.38Å; Q553-R622 VanDerWaalsContact CB-NH1 3.34Å; Q553-R622 WeakPolarHBondContact O-CA 3.29Å; Q553-E623 PolarHBondContact O-N 2.88Å; Q553-E623 VanDerWaalsContact O-N 3.11Å |
| 554 | E | 95.1 | Very high | 92.3 | Very high | 119 Ų | 119 | 68.2 Ų | 68.2 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 148.1 | 168.8 | -72.2 | -167.2 | -148.7 | 0 | 0 | 111.4 | K564 R622 | E554-K564 IonicContact OE2-NZ 3.59Å; E554-K564 PolarHBondContact OE2-NZ 3.47Å; E554-R622 PolarHBondContact O-NH1 3.21Å; E554-R622 VanDerWaalsContact O-NH1 3.15Å |
| 555 | D | 96.4 | Very high | 92.4 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 7% | 0.07 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 155.2 | 168.7 | -77.7 | -66.4 | 0 | 0 | 0 | 112.4 | F557 S569 R622 S624 | D555-F557 HydrophobicContact CB-CD2 4.16Å; D555-F557 HydrophobicContact CB-CE2 3.53Å; D555-F557 HydrophobicContact CB-CZ 4.12Å; D555-F557 WeakPolarHBondContact O-CD2 3.33Å; D555-S569 WeakPolarHBondContact CA-OG 3.38Å; D555-S569 WeakPolarHBondContact CB-OG 3.43Å; D555-S569 PolarHBondContact OD1-OG 3.25Å; D555-R622 VanDerWaalsContact OD1-CB 3.29Å; D555-R622 WeakPolarHBondContact OD1-CB 3.21Å; D555-S624 WeakPolarHBondContact OD1-CB 3.46Å; D555-S624 PolarHBondContact OD1-OG 3.16Å; D555-S624 WeakPolarHBondContact OD2-CA 3.45Å; D555-S624 WeakPolarHBondContact OD2-CB 3.24Å; D555-S624 PolarHBondContact OD2-N 3.14Å; D555-S624 PolarHBondContact OD2-OG 2.8Å |
| 556 | H | 95.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 68 Ų | 68 | 13% | 0.13 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 120.2 | 177.7 | -58.7 | -42.9 | 0 | 0 | 0 | 110.3 | C567 F568 S569 R622 E764 R830 | H556-C567 CarbonylContact O-C 3.57Å; H556-C567 WeakPolarHBondContact O-CA 3.49Å; H556-F568 HydrophobicContact CB-CB 4.34Å; H556-F568 PolarHBondContact O-N 3.43Å; H556-S569 PolarHBondContact N-OG 3.02Å; H556-R622 PolarHBondContact CE1-NH1 3.14Å; H556-R622 VanDerWaalsContact NE2-CZ 3.27Å; H556-R622 PolarHBondContact NE2-NH1 3.49Å; H556-R622 PolarHBondContact NE2-NH2 3.23Å; H556-E764 IonicContact NE2-OE2 3.75Å; H556-R830 HydrophobicContact CB-CG 4.33Å; H556-R830 PolarHBondContact CD2-NE 2.84Å; H556-R830 PolarHBondContact CE1-NH1 3.21Å; H556-R830 PolarHBondContact CE1-NH2 3.48Å; H556-R830 PolarHBondContact ND1-NH2 2.73Å; H556-R830 PolarHBondContact NE2-NH1 2.61Å |
| 557 | F | 95.1 | Very high | 92.8 | Very high | 62 Ų | 62 | 66.7 Ų | 66.7 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.3 | 179.1 | -69.3 | -94.8 | 0 | 0 | 0 | 112.1 | D555 K564 F566 C567 | D555-F557 HydrophobicContact CB-CD2 4.16Å; D555-F557 HydrophobicContact CB-CE2 3.53Å; D555-F557 HydrophobicContact CB-CZ 4.12Å; D555-F557 WeakPolarHBondContact O-CD2 3.33Å; F557-K564 HydrophobicContact CB-CB 3.9Å; F557-K564 HydrophobicContact CB-CD 4.29Å; F557-K564 HydrophobicContact CB-CG 3.82Å; F557-K564 HydrophobicContact CD1-CB 3.82Å; F557-K564 HydrophobicContact CD1-CD 4.42Å; F557-K564 HydrophobicContact CD1-CG 4.37Å; F557-K564 HydrophobicContact CD2-CB 4.46Å; F557-K564 HydrophobicContact CD2-CD 3.61Å; F557-K564 HydrophobicContact CD2-CG 4.12Å; F557-K564 HydrophobicContact CE1-CB 4.46Å; F557-K564 HydrophobicContact CE2-CD 3.94Å; F557-K564 HydrophobicContact CG-CB 3.82Å; F557-K564 HydrophobicContact CG-CD 3.87Å; F557-K564 HydrophobicContact CG-CG 3.86Å; F557-K564 HydrophobicContact CZ-CD 4.49Å; F557-F566 CarbonylContact C-O 3.53Å; F557-F566 WeakPolarHBondContact CA-O 3.09Å; F557-C567 HydrophobicContact CD1-CB 4.02Å; F557-C567 HydrophobicContact CE1-CB 3.68Å; F557-C567 HydrophobicContact CZ-CB 4.16Å |
| 558 | S | 93.1 | Very high | 93 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 147.6 | 158.7 | 51.6 | 0 | 0 | 0 | 0 | 110.6 | V565 F566 G832 L833 | S558-V565 PolarHBondContact O-N 3.45Å; S558-F566 PolarHBondContact N-O 3.43Å; S558-F566 PolarHBondContact OG-N 2.91Å; S558-F566 VanDerWaalsContact OG-N 3.15Å; S558-F566 PolarHBondContact OG-O 3.25Å; S558-G832 WeakPolarHBondContact CB-O 3.49Å; S558-L833 WeakPolarHBondContact CB-O 3.31Å; S558-L833 PolarHBondContact OG-O 2.81Å |
| 559 | Q | 88.5 | Confident | 93.1 | Very high | 110 Ų | 110 | 61.7 Ų | 61.7 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.6 | 179.4 | -66.8 | -70.3 | -32.5 | 0 | 0 | 108.6 | G562 E563 | Q559-G562 VanDerWaalsContact OE1-C 3.3Å; Q559-G562 PolarHBondContact OE1-O 3.34Å; Q559-E563 WeakPolarHBondContact CA-O 3.16Å |
| 560 | L | 87.3 | Confident | 93.1 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 38% | 0.377 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 119.8 | 170.5 | -170.9 | 67.8 | 0 | 0 | 0 | 107.8 | G562 E563 V565 L833 | L560-G562 PolarHBondContact O-N 3.04Å; L560-E563 PolarHBondContact N-O 2.98Å; L560-E563 VanDerWaalsContact N-O 3.09Å; L560-E563 PolarHBondContact O-N 2.94Å; L560-V565 HydrophobicContact CB-CG2 3.46Å; L560-V565 VanDerWaalsContact CB-CG2 3.46Å; L560-V565 HydrophobicContact CD2-CG2 4.49Å; L560-L833 HydrophobicContact CB-CD1 4.45Å; L560-L833 HydrophobicContact CD1-CD1 4.2Å |
| 561 | Y | 89.5 | Confident | 93.2 | Very high | 226 Ų | 226 | 61.6 Ų | 61.6 | 89% | 0.886 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 28.2 | -175.1 | -52.1 | -66.7 | 0 | 0 | 0 | 114.7 | ||
| 562 | G | 86.1 | Confident | 93.3 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 66% | 0.66 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 1.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q559 L560 | Q559-G562 VanDerWaalsContact OE1-C 3.3Å; Q559-G562 PolarHBondContact OE1-O 3.34Å; L560-G562 PolarHBondContact O-N 3.04Å |
| 563 | E | 89.3 | Confident | 93.4 | Very high | 144 Ų | 144 | 58 Ų | 58 | 67% | 0.673 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.5 | 177 | -62.2 | -173.5 | 166.5 | 0 | 0 | 111.4 | Q559 L560 V565 | Q559-E563 WeakPolarHBondContact CA-O 3.16Å; L560-E563 PolarHBondContact N-O 2.98Å; L560-E563 VanDerWaalsContact N-O 3.09Å; L560-E563 PolarHBondContact O-N 2.94Å; E563-V565 WeakPolarHBondContact O-CG2 3.16Å; E563-V565 PolarHBondContact O-N 3.3Å |
| 564 | K | 89.4 | Confident | 93.5 | Very high | 107 Ų | 107 | 55.7 Ų | 55.7 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 110.2 | 171.6 | -71.8 | -177.5 | 173.3 | -171.7 | 0 | 108.5 | E554 F557 | E554-K564 IonicContact OE2-NZ 3.59Å; E554-K564 PolarHBondContact OE2-NZ 3.47Å; F557-K564 HydrophobicContact CB-CB 3.9Å; F557-K564 HydrophobicContact CB-CD 4.29Å; F557-K564 HydrophobicContact CB-CG 3.82Å; F557-K564 HydrophobicContact CD1-CB 3.82Å; F557-K564 HydrophobicContact CD1-CD 4.42Å; F557-K564 HydrophobicContact CD1-CG 4.37Å; F557-K564 HydrophobicContact CD2-CB 4.46Å; F557-K564 HydrophobicContact CD2-CD 3.61Å; F557-K564 HydrophobicContact CD2-CG 4.12Å; F557-K564 HydrophobicContact CE1-CB 4.46Å; F557-K564 HydrophobicContact CE2-CD 3.94Å; F557-K564 HydrophobicContact CG-CB 3.82Å; F557-K564 HydrophobicContact CG-CD 3.87Å; F557-K564 HydrophobicContact CG-CG 3.86Å; F557-K564 HydrophobicContact CZ-CD 4.49Å |
| 565 | V | 90.2 | Very high | 93.6 | Very high | 60 Ų | 60 | 50 Ų | 50 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -66.6 | -176.2 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | S558 L560 E563 | S558-V565 PolarHBondContact O-N 3.45Å; L560-V565 HydrophobicContact CB-CG2 3.46Å; L560-V565 VanDerWaalsContact CB-CG2 3.46Å; L560-V565 HydrophobicContact CD2-CG2 4.49Å; E563-V565 WeakPolarHBondContact O-CG2 3.16Å; E563-V565 PolarHBondContact O-N 3.3Å |
| 566 | F | 93.1 | Very high | 93.7 | Very high | 59 Ų | 59 | 50 Ų | 50 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.2 | -177.5 | -66.6 | -83.1 | 0 | 0 | 0 | 111.7 | F557 S558 L833 R834 P835 | F557-F566 CarbonylContact C-O 3.53Å; F557-F566 WeakPolarHBondContact CA-O 3.09Å; S558-F566 PolarHBondContact N-O 3.43Å; S558-F566 PolarHBondContact OG-N 2.91Å; S558-F566 VanDerWaalsContact OG-N 3.15Å; S558-F566 PolarHBondContact OG-O 3.25Å; F566-L833 WeakPolarHBondContact CD2-O 3.48Å; F566-R834 HydrophobicContact CD1-CG 4.17Å; F566-R834 HydrophobicContact CD2-CB 4.13Å; F566-R834 HydrophobicContact CD2-CG 4.2Å; F566-R834 HydrophobicContact CE1-CG 4.03Å; F566-R834 HydrophobicContact CE2-CB 4.12Å; F566-R834 HydrophobicContact CE2-CG 4.06Å; F566-R834 HydrophobicContact CG-CG 4.27Å; F566-R834 HydrophobicContact CZ-CG 3.98Å; F566-P835 HydrophobicContact CB-CG 3.87Å |
| 567 | C | 95 | Very high | 93.8 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.4 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | H556 F557 D570 P835 | H556-C567 CarbonylContact O-C 3.57Å; H556-C567 WeakPolarHBondContact O-CA 3.49Å; F557-C567 HydrophobicContact CD1-CB 4.02Å; F557-C567 HydrophobicContact CE1-CB 3.68Å; F557-C567 HydrophobicContact CZ-CB 4.16Å; C567-D570 HydrophobicContact CB-CB 4.34Å; C567-D570 PolarHBondContact SG-N 3.48Å; C567-D570 VanDerWaalsContact SG-N 3.44Å; C567-P835 VanDerWaalsContact O-CG 3.27Å; C567-P835 WeakPolarHBondContact O-CG 3.5Å |
| 568 | F | 96.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -90.5 | -20.5 | 177.4 | -77.2 | -104.5 | 0 | 0 | 0 | 113 | H556 L762 P829 R830 G832 P835 M837 | H556-F568 HydrophobicContact CB-CB 4.34Å; H556-F568 PolarHBondContact O-N 3.43Å; F568-L762 HydrophobicContact CB-CD1 4.36Å; F568-L762 WeakPolarHBondContact O-CD1 3.36Å; F568-P829 WeakPolarHBondContact CD1-O 3.46Å; F568-R830 WeakPolarHBondContact CD1-O 3.4Å; F568-G832 VanDerWaalsContact CZ-O 3.29Å; F568-G832 WeakPolarHBondContact CZ-O 3.28Å; F568-P835 HydrophobicContact CD1-CB 3.92Å; F568-P835 HydrophobicContact CD1-CG 4.06Å; F568-P835 HydrophobicContact CD2-CG 3.75Å; F568-P835 HydrophobicContact CE1-CB 3.98Å; F568-P835 HydrophobicContact CE1-CG 4.1Å; F568-P835 HydrophobicContact CE2-CB 4.48Å; F568-P835 HydrophobicContact CE2-CG 3.72Å; F568-P835 HydrophobicContact CG-CB 4.21Å; F568-P835 HydrophobicContact CG-CG 3.9Å; F568-P835 HydrophobicContact CZ-CB 4.24Å; F568-P835 HydrophobicContact CZ-CG 3.91Å; F568-M837 WeakPolarHBondContact O-CE 3.26Å |
| 569 | S | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -108.2 | 15.6 | -175.7 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | D555 H556 G571 V572 S624 | D555-S569 WeakPolarHBondContact CA-OG 3.38Å; D555-S569 WeakPolarHBondContact CB-OG 3.43Å; D555-S569 PolarHBondContact OD1-OG 3.25Å; H556-S569 PolarHBondContact N-OG 3.02Å; S569-G571 PolarHBondContact O-N 3.34Å; S569-V572 PolarHBondContact O-N 3Å; S569-S624 PolarHBondContact O-OG 2.8Å |
| 570 | D | 95.4 | Very high | 94.2 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 114.1 | -176.2 | -162.7 | -17.4 | 0 | 0 | 0 | 110.7 | C567 S624 K627 D844 L845 | C567-D570 HydrophobicContact CB-CB 4.34Å; C567-D570 PolarHBondContact SG-N 3.48Å; C567-D570 VanDerWaalsContact SG-N 3.44Å; D570-S624 WeakPolarHBondContact OD1-CB 3.44Å; D570-K627 IonicContact OD1-NZ 3.24Å; D570-D844 HydrophobicContact CB-CB 4.39Å; D570-L845 WeakPolarHBondContact O-CB 3.47Å; D570-L845 PolarHBondContact O-N 3.05Å |
| 571 | G | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 4.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116 | S569 G605 M606 S624 L845 | S569-G571 PolarHBondContact O-N 3.34Å; G571-G605 CarbonylContact O-C 3.59Å; G571-G605 WeakPolarHBondContact O-CA 3.18Å; G571-M606 PolarHBondContact O-N 3.25Å; G571-S624 PolarHBondContact N-OG 2.9Å; G571-L845 CarbonylContact C-O 3.5Å; G571-L845 VanDerWaalsContact O-O 3.05Å |
| 572 | V | 98.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.9 | -179.8 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | S569 M606 R622 I761 L762 L845 | S569-V572 PolarHBondContact O-N 3Å; V572-M606 CarbonylContact C-O 3.5Å; V572-M606 WeakPolarHBondContact CA-O 3.48Å; V572-M606 HydrophobicContact CB-CB 4.42Å; V572-M606 HydrophobicContact CG2-CB 4.09Å; V572-R622 WeakPolarHBondContact O-CG 3.26Å; V572-I761 HydrophobicContact CG2-CB 4.37Å; V572-I761 HydrophobicContact CG2-CG2 4.42Å; V572-L762 HydrophobicContact CG1-CB 3.76Å; V572-L845 HydrophobicContact CB-CB 3.77Å; V572-L845 HydrophobicContact CB-CD1 4.37Å; V572-L845 HydrophobicContact CG1-CB 3.82Å; V572-L845 HydrophobicContact CG1-CD1 3.59Å; V572-L845 HydrophobicContact CG1-CG 4.35Å |
| 573 | G | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | -163.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M606 A608 V620 M625 | G573-M606 PolarHBondContact N-O 2.89Å; G573-A608 PolarHBondContact O-N 2.93Å; G573-V620 CarbonylContact C-O 3.58Å; G573-V620 WeakPolarHBondContact CA-O 3.29Å; G573-M625 PolarHBondContact N-SD 3.27Å; G573-M625 VanDerWaalsContact N-SD 3.38Å |
| 574 | Q | 98.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.7 | -171.7 | -50.8 | 169.8 | 112.6 | 0 | 0 | 111.3 | A608 N610 L613 M619 V620 E764 | Q574-A608 CarbonylContact C-O 3.58Å; Q574-A608 VanDerWaalsContact CA-O 3.27Å; Q574-A608 WeakPolarHBondContact CA-O 3.35Å; Q574-N610 HydrophobicContact CB-CB 4.23Å; Q574-N610 HydrophobicContact CG-CB 4.49Å; Q574-N610 PolarHBondContact OE1-ND2 2.8Å; Q574-L613 HydrophobicContact CB-CD1 3.94Å; Q574-L613 HydrophobicContact CB-CD2 4.18Å; Q574-L613 HydrophobicContact CB-CG 4.39Å; Q574-M619 CarbonylContact O-C 3.6Å; Q574-M619 VanDerWaalsContact O-CA 3.3Å; Q574-M619 WeakPolarHBondContact O-CA 3.33Å; Q574-V620 HydrophobicContact CB-CB 4.2Å; Q574-V620 PolarHBondContact N-O 3.42Å; Q574-V620 PolarHBondContact O-N 2.96Å; Q574-E764 HydrophobicContact CG-CG 4.15Å; Q574-E764 VanDerWaalsContact OE1-CD 3.24Å; Q574-E764 PolarHBondContact OE1-OE1 2.92Å |
| 575 | I | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.1 | 174 | -173.1 | 167.7 | 0 | 0 | 0 | 109.9 | L579 A580 F596 L607 A608 V609 N610 M619 | I575-L579 HydrophobicContact CD1-CB 4.31Å; I575-L579 HydrophobicContact CD1-CD2 4.07Å; I575-L579 HydrophobicContact CD1-CG 3.99Å; I575-L579 HydrophobicContact CG1-CB 4.08Å; I575-L579 HydrophobicContact CG1-CD2 4.08Å; I575-L579 HydrophobicContact CG1-CG 4.2Å; I575-A580 HydrophobicContact CD1-CB 4.35Å; I575-A580 HydrophobicContact CG1-CB 4.41Å; I575-A580 HydrophobicContact CG2-CB 4.29Å; I575-F596 HydrophobicContact CG2-CD2 4.14Å; I575-F596 HydrophobicContact CG2-CE2 4.27Å; I575-L607 HydrophobicContact CB-CB 4.04Å; I575-L607 HydrophobicContact CB-CD1 4.39Å; I575-L607 HydrophobicContact CG2-CB 4.09Å; I575-A608 PolarHBondContact N-O 2.87Å; I575-V609 HydrophobicContact CG2-CB 4.44Å; I575-V609 HydrophobicContact CG2-CG2 3.9Å; I575-V609 WeakPolarHBondContact O-CA 3.48Å; I575-N610 PolarHBondContact O-N 3.43Å; I575-M619 HydrophobicContact CG1-CG 4.19Å |
| 576 | S | 97.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 8% | 0.077 | 19% | 0.193 | C | C | . | . | trans | -67.4 | 152.6 | 175.5 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | Q578 L579 A580 K618 | S576-Q578 VanDerWaalsContact C-N 3.33Å; S576-Q578 PolarHBondContact O-N 2.89Å; S576-L579 PolarHBondContact O-N 3.38Å; S576-L579 WeakPolarHBondContact OG-CB 3.49Å; S576-L579 PolarHBondContact OG-N 2.85Å; S576-A580 WeakPolarHBondContact O-CB 3.48Å; S576-A580 PolarHBondContact O-N 3.07Å; S576-K618 WeakPolarHBondContact CB-O 3.36Å; S576-K618 PolarHBondContact N-O 3.01Å; S576-K618 PolarHBondContact OG-O 2.95Å | ||
| 577 | V | 97.1 | Very high | 95 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 33% | 0.333 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 179 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | L579 A580 E581 V609 P611 | V577-L579 PolarHBondContact O-N 3.5Å; V577-A580 PolarHBondContact O-N 3.46Å; V577-E581 WeakPolarHBondContact O-CG 3.48Å; V577-E581 PolarHBondContact O-N 3.47Å; V577-V609 HydrophobicContact CG2-CG1 3.91Å; V577-P611 HydrophobicContact CG2-CB 4.07Å; V577-P611 HydrophobicContact CG2-CG 3.99Å |
| 578 | Q | 95.1 | Very high | 94.5 | Very high | 127 Ų | 127 | 44.4 Ų | 44.4 | 59% | 0.593 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -57.7 | -46.6 | 179.6 | -67.8 | 174.5 | -8.3 | 0 | 0 | 112.3 | S576 E581 E582 | S576-Q578 VanDerWaalsContact C-N 3.33Å; S576-Q578 PolarHBondContact O-N 2.89Å; Q578-E581 PolarHBondContact O-N 3.43Å; Q578-E582 PolarHBondContact O-N 3.06Å; Q578-E582 VanDerWaalsContact O-N 3.09Å |
| 579 | L | 95.6 | Very high | 94 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.8 | -33.4 | 179.7 | -175.3 | 62.4 | 0 | 0 | 0 | 111.8 | V539 I541 I575 S576 V577 E581 E582 V583 K618 M619 | V539-L579 HydrophobicContact CG1-CD1 4.5Å; I541-L579 HydrophobicContact CD1-CD1 3.88Å; I541-L579 HydrophobicContact CD1-CD2 3.99Å; I575-L579 HydrophobicContact CD1-CB 4.31Å; I575-L579 HydrophobicContact CD1-CD2 4.07Å; I575-L579 HydrophobicContact CD1-CG 3.99Å; I575-L579 HydrophobicContact CG1-CB 4.08Å; I575-L579 HydrophobicContact CG1-CD2 4.08Å; I575-L579 HydrophobicContact CG1-CG 4.2Å; S576-L579 PolarHBondContact O-N 3.38Å; S576-L579 WeakPolarHBondContact OG-CB 3.49Å; S576-L579 PolarHBondContact OG-N 2.85Å; V577-L579 PolarHBondContact O-N 3.5Å; L579-E581 VanDerWaalsContact C-N 3.33Å; L579-E582 PolarHBondContact O-N 2.76Å; L579-V583 HydrophobicContact CD1-CG2 4.49Å; L579-V583 HydrophobicContact CG-CG2 4.46Å; L579-V583 WeakPolarHBondContact O-CB 3.47Å; L579-V583 VanDerWaalsContact O-CG2 3.26Å; L579-V583 WeakPolarHBondContact O-CG2 3.44Å; L579-V583 PolarHBondContact O-N 3.35Å; L579-K618 HydrophobicContact CD2-CB 4.18Å; L579-M619 HydrophobicContact CD2-CE 4.25Å; L579-M619 HydrophobicContact CD2-CG 3.48Å; L579-M619 VanDerWaalsContact CD2-CG 3.48Å; L579-M619 HydrophobicContact CD2-SD 3.9Å |
| 580 | A | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I575 S576 V577 S584 V592 F596 V609 | I575-A580 HydrophobicContact CD1-CB 4.35Å; I575-A580 HydrophobicContact CG1-CB 4.41Å; I575-A580 HydrophobicContact CG2-CB 4.29Å; S576-A580 WeakPolarHBondContact O-CB 3.48Å; S576-A580 PolarHBondContact O-N 3.07Å; V577-A580 PolarHBondContact O-N 3.46Å; A580-S584 VanDerWaalsContact O-CB 3.32Å; A580-S584 WeakPolarHBondContact O-CB 3.37Å; A580-S584 PolarHBondContact O-N 2.88Å; A580-S584 PolarHBondContact O-OG 3.43Å; A580-V592 HydrophobicContact CB-CG1 3.84Å; A580-F596 HydrophobicContact CB-CE2 3.89Å; A580-F596 HydrophobicContact CB-CZ 4.15Å; A580-V609 HydrophobicContact CB-CG2 3.72Å |
| 581 | E | 95.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 52 Ų | 52 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -50.2 | 171.6 | -74.8 | 167.3 | 168.7 | 0 | 0 | 110.9 | V577 Q578 L579 V583 S584 E585 V592 | V577-E581 WeakPolarHBondContact O-CG 3.48Å; V577-E581 PolarHBondContact O-N 3.47Å; Q578-E581 PolarHBondContact O-N 3.43Å; L579-E581 VanDerWaalsContact C-N 3.33Å; E581-V583 PolarHBondContact O-N 3.2Å; E581-S584 WeakPolarHBondContact O-CB 3.39Å; E581-S584 PolarHBondContact O-N 2.79Å; E581-E585 WeakPolarHBondContact O-CG 3.24Å; E581-E585 PolarHBondContact O-N 3.37Å; E581-V592 HydrophobicContact CB-CG2 4.46Å; E581-V592 HydrophobicContact CG-CG2 3.84Å |
| 582 | E | 94.1 | Very high | 93.3 | Very high | 99 Ų | 99 | 53.9 Ų | 53.9 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 178 | -174.6 | -177.1 | 171.6 | 0 | 0 | 112.5 | V539 Q578 L579 S584 E585 K586 | V539-E582 HydrophobicContact CG1-CG 4.49Å; V539-E582 WeakPolarHBondContact CG1-OE1 3.4Å; V539-E582 HydrophobicContact CG2-CG 4.25Å; Q578-E582 PolarHBondContact O-N 3.06Å; Q578-E582 VanDerWaalsContact O-N 3.09Å; L579-E582 PolarHBondContact O-N 2.76Å; E582-S584 VanDerWaalsContact C-N 3.29Å; E582-S584 PolarHBondContact O-N 3.01Å; E582-E585 PolarHBondContact O-N 2.58Å; E582-K586 WeakPolarHBondContact O-CB 3.34Å; E582-K586 PolarHBondContact O-N 2.94Å |
| 583 | V | 93.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 111 | A538 V539 L579 E581 L587 F596 L636 I638 | A538-V583 HydrophobicContact CB-CG1 4.1Å; V539-V583 HydrophobicContact CB-CG2 4.33Å; V539-V583 HydrophobicContact CG2-CB 4.4Å; V539-V583 HydrophobicContact CG2-CG2 3.75Å; L579-V583 HydrophobicContact CD1-CG2 4.49Å; L579-V583 HydrophobicContact CG-CG2 4.46Å; L579-V583 WeakPolarHBondContact O-CB 3.47Å; L579-V583 VanDerWaalsContact O-CG2 3.26Å; L579-V583 WeakPolarHBondContact O-CG2 3.44Å; L579-V583 PolarHBondContact O-N 3.35Å; E581-V583 PolarHBondContact O-N 3.2Å; V583-L587 HydrophobicContact CG1-CD1 4.07Å; V583-L587 WeakPolarHBondContact O-CB 3.07Å; V583-L587 WeakPolarHBondContact O-CG 3.29Å; V583-L587 PolarHBondContact O-N 2.95Å; V583-L587 VanDerWaalsContact O-N 3.12Å; V583-F596 HydrophobicContact CG1-CD1 4.2Å; V583-F596 HydrophobicContact CG1-CE1 3.94Å; V583-L636 HydrophobicContact CG2-CD2 3.75Å; V583-I638 HydrophobicContact CG1-CD1 3.99Å; V583-I638 HydrophobicContact CG1-CG1 3.86Å |
| 584 | S | 93.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.5 | -43 | -178.6 | -59.9 | 0 | 0 | 0 | 0 | 112 | A580 E581 E582 K586 L587 N588 L589 P593 | A580-S584 VanDerWaalsContact O-CB 3.32Å; A580-S584 WeakPolarHBondContact O-CB 3.37Å; A580-S584 PolarHBondContact O-N 2.88Å; A580-S584 PolarHBondContact O-OG 3.43Å; E581-S584 WeakPolarHBondContact O-CB 3.39Å; E581-S584 PolarHBondContact O-N 2.79Å; E582-S584 VanDerWaalsContact C-N 3.29Å; E582-S584 PolarHBondContact O-N 3.01Å; S584-K586 VanDerWaalsContact C-N 3.32Å; S584-K586 PolarHBondContact O-N 3.13Å; S584-L587 CarbonylContact O-C 3.57Å; S584-L587 PolarHBondContact O-N 2.74Å; S584-N588 PolarHBondContact O-N 2.9Å; S584-L589 PolarHBondContact O-N 3.41Å; S584-P593 VanDerWaalsContact OG-CD 3.31Å; S584-P593 WeakPolarHBondContact OG-CD 3.38Å |
| 585 | E | 91.5 | Very high | 93.2 | Very high | 148 Ų | 148 | 53.9 Ų | 53.9 | 69% | 0.692 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.4 | -45.7 | 174.5 | -73.9 | 179.9 | -178.6 | 0 | 0 | 111.1 | E581 E582 L587 N588 | E581-E585 WeakPolarHBondContact O-CG 3.24Å; E581-E585 PolarHBondContact O-N 3.37Å; E582-E585 PolarHBondContact O-N 2.58Å; E585-L587 VanDerWaalsContact C-N 3.28Å; E585-L587 PolarHBondContact O-N 3.28Å; E585-N588 PolarHBondContact O-N 3.47Å; E585-N588 VanDerWaalsContact O-N 3.1Å |
| 586 | K | 87.1 | Confident | 93.1 | Very high | 134 Ų | 134 | 53.9 Ų | 53.9 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.5 | -31.1 | 179.6 | -170.6 | 54.7 | 173.4 | -178.4 | 0 | 113.5 | A538 V539 E582 S584 | A538-K586 WeakPolarHBondContact O-CG 3.25Å; V539-K586 HydrophobicContact CG2-CB 4.34Å; E582-K586 WeakPolarHBondContact O-CB 3.34Å; E582-K586 PolarHBondContact O-N 2.94Å; S584-K586 VanDerWaalsContact C-N 3.32Å; S584-K586 PolarHBondContact O-N 3.13Å |
| 587 | L | 84.6 | Confident | 93.1 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 4.7 | 176.2 | -65.7 | -179.7 | 0 | 0 | 0 | 113.5 | L536 A538 V583 S584 E585 L589 I638 | L536-L587 HydrophobicContact CB-CD2 3.78Å; L536-L587 HydrophobicContact CD1-CD2 4.07Å; A538-L587 HydrophobicContact CB-CD1 4.2Å; A538-L587 HydrophobicContact CB-CD2 4.13Å; A538-L587 HydrophobicContact CB-CG 4.09Å; V583-L587 HydrophobicContact CG1-CD1 4.07Å; V583-L587 WeakPolarHBondContact O-CB 3.07Å; V583-L587 WeakPolarHBondContact O-CG 3.29Å; V583-L587 PolarHBondContact O-N 2.95Å; V583-L587 VanDerWaalsContact O-N 3.12Å; S584-L587 CarbonylContact O-C 3.57Å; S584-L587 PolarHBondContact O-N 2.74Å; E585-L587 VanDerWaalsContact C-N 3.28Å; E585-L587 PolarHBondContact O-N 3.28Å; L587-L589 HydrophobicContact CB-CD1 3.8Å; L587-L589 HydrophobicContact CB-CG 3.71Å; L587-L589 HydrophobicContact CD1-CD1 3.96Å; L587-L589 PolarHBondContact O-N 3.06Å; L587-I638 HydrophobicContact CD1-CB 3.92Å; L587-I638 HydrophobicContact CD1-CG1 3.73Å; L587-I638 HydrophobicContact CD1-CG2 4.11Å |
| 588 | N | 84.8 | Confident | 92.9 | Very high | 153 Ų | 153 | 51.8 Ų | 51.8 | 82% | 0.818 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 38.7 | -173.6 | -61.3 | -61.9 | 0 | 0 | 0 | 113.2 | S584 E585 | S584-N588 PolarHBondContact O-N 2.9Å; E585-N588 PolarHBondContact O-N 3.47Å; E585-N588 VanDerWaalsContact O-N 3.1Å |
| 589 | L | 86.7 | Confident | 92.8 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | trans | -93.5 | 124.1 | 178.1 | -59.8 | 175.9 | 0 | 0 | 0 | 109.9 | S584 L587 P593 T641 | S584-L589 PolarHBondContact O-N 3.41Å; L587-L589 HydrophobicContact CB-CD1 3.8Å; L587-L589 HydrophobicContact CB-CG 3.71Å; L587-L589 HydrophobicContact CD1-CD1 3.96Å; L587-L589 PolarHBondContact O-N 3.06Å; L589-P593 HydrophobicContact CD1-CG 4.01Å; L589-T641 HydrophobicContact CD1-CG2 3.86Å | ||
| 590 | S | 87.1 | Confident | 92.6 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 82% | 0.818 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -137.5 | 124 | 171.3 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 591 | P | 91.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | S | Bend | cis | -82.3 | 176.1 | 0.1 | 37.1 | -35.8 | 0 | 0 | 0 | 112.7 | P593 P784 | P591-P593 WeakPolarHBondContact O-CD 3.44Å; P591-P784 WeakPolarHBondContact CD-O 3.46Å; P591-P784 VanDerWaalsContact CG-O 3.24Å; P591-P784 WeakPolarHBondContact CG-O 3.37Å |
| 592 | V | 95.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | trans | -58.8 | 123.7 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | A580 E581 F596 R823 | A580-V592 HydrophobicContact CB-CG1 3.84Å; E581-V592 HydrophobicContact CB-CG2 4.46Å; E581-V592 HydrophobicContact CG-CG2 3.84Å; V592-F596 HydrophobicContact CG1-CZ 4.39Å; V592-R823 PolarHBondContact O-NH2 3.05Å | ||
| 593 | P | 96.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.065 | 20% | 0.201 | C | C | . | . | trans | -62.1 | 149.1 | 174.7 | -23.7 | 34.5 | 0 | 0 | 0 | 112.8 | S584 L589 P591 F596 V609 T641 S642 | S584-P593 VanDerWaalsContact OG-CD 3.31Å; S584-P593 WeakPolarHBondContact OG-CD 3.38Å; L589-P593 HydrophobicContact CD1-CG 4.01Å; P591-P593 WeakPolarHBondContact O-CD 3.44Å; P593-F596 HydrophobicContact CB-CE1 4.06Å; P593-F596 HydrophobicContact CB-CE2 4.49Å; P593-F596 HydrophobicContact CB-CZ 3.98Å; P593-F596 HydrophobicContact CG-CE1 3.9Å; P593-F596 HydrophobicContact CG-CZ 4.11Å; P593-F596 WeakPolarHBondContact O-CE2 3.49Å; P593-V609 WeakPolarHBondContact O-CG2 3.38Å; P593-T641 HydrophobicContact CB-CG2 4.48Å; P593-T641 HydrophobicContact CG-CG2 4.05Å; P593-S642 WeakPolarHBondContact CB-OG 3.36Å | ||
| 594 | S | 97.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -79.5 | -20.5 | 176 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | V609 S642 H821 R823 | S594-V609 PolarHBondContact O-N 3.45Å; S594-S642 PolarHBondContact N-OG 3.46Å; S594-H821 PolarHBondContact OG-O 3.26Å; S594-R823 WeakPolarHBondContact CB-O 3.41Å; S594-R823 VanDerWaalsContact OG-CG 3.22Å; S594-R823 WeakPolarHBondContact OG-CG 3.25Å; S594-R823 PolarHBondContact OG-N 3.19Å; S594-R823 PolarHBondContact OG-O 2.64Å |
| 595 | A | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M606 L607 S642 I761 V825 | A595-M606 HydrophobicContact CB-CE 3.79Å; A595-L607 CarbonylContact C-O 3.47Å; A595-L607 VanDerWaalsContact CA-O 3.26Å; A595-L607 WeakPolarHBondContact CA-O 3.41Å; A595-S642 PolarHBondContact N-OG 3.05Å; A595-S642 PolarHBondContact O-N 2.61Å; A595-S642 PolarHBondContact O-OG 2.64Å; A595-I761 HydrophobicContact CB-CG2 3.94Å; A595-V825 HydrophobicContact CB-CG1 3.95Å |
| 596 | F | 96.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.5 | -178.7 | -56.5 | -96.2 | 0 | 0 | 0 | 109.6 | I575 A580 V583 V592 P593 I598 M606 L607 V609 I638 T641 | I575-F596 HydrophobicContact CG2-CD2 4.14Å; I575-F596 HydrophobicContact CG2-CE2 4.27Å; A580-F596 HydrophobicContact CB-CE2 3.89Å; A580-F596 HydrophobicContact CB-CZ 4.15Å; V583-F596 HydrophobicContact CG1-CD1 4.2Å; V583-F596 HydrophobicContact CG1-CE1 3.94Å; V592-F596 HydrophobicContact CG1-CZ 4.39Å; P593-F596 HydrophobicContact CB-CE1 4.06Å; P593-F596 HydrophobicContact CB-CE2 4.49Å; P593-F596 HydrophobicContact CB-CZ 3.98Å; P593-F596 HydrophobicContact CG-CE1 3.9Å; P593-F596 HydrophobicContact CG-CZ 4.11Å; P593-F596 WeakPolarHBondContact O-CE2 3.49Å; F596-I598 HydrophobicContact CB-CG2 3.76Å; F596-M606 CarbonylContact O-C 3.47Å; F596-M606 WeakPolarHBondContact O-CA 3.44Å; F596-L607 PolarHBondContact N-O 3.39Å; F596-L607 PolarHBondContact O-N 3.2Å; F596-V609 HydrophobicContact CE2-CG2 3.93Å; F596-I638 HydrophobicContact CB-CD1 4.23Å; F596-I638 HydrophobicContact CD1-CD1 4.24Å; F596-I638 HydrophobicContact CD1-CG2 4.43Å; F596-T641 HydrophobicContact CD1-CG2 3.73Å; F596-T641 HydrophobicContact CE1-CG2 4.1Å |
| 597 | Q | 95.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122 | 167.1 | -168.3 | -178.9 | 27.6 | 0 | 0 | 108.9 | M606 V639 K640 D846 | Q597-M606 WeakPolarHBondContact CA-SD 3.48Å; Q597-M606 HydrophobicContact CB-CE 4.36Å; Q597-M606 HydrophobicContact CB-SD 3.45Å; Q597-M606 WeakPolarHBondContact CB-SD 3.3Å; Q597-M606 HydrophobicContact CG-SD 3.76Å; Q597-V639 HydrophobicContact CB-CB 4.33Å; Q597-V639 HydrophobicContact CG-CB 4.28Å; Q597-V639 WeakPolarHBondContact O-CB 3.31Å; Q597-V639 PolarHBondContact O-N 3.07Å; Q597-K640 HydrophobicContact CB-CB 4.25Å; Q597-K640 PolarHBondContact N-O 3.3Å; Q597-D846 PolarHBondContact NE2-O 3.26Å |
| 598 | I | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 164.1 | -166.1 | 65.2 | 74.3 | 0 | 0 | 0 | 114.9 | F596 F600 G605 L607 F621 L636 E637 I638 | F596-I598 HydrophobicContact CB-CG2 3.76Å; I598-F600 HydrophobicContact CD1-CB 4.29Å; I598-G605 PolarHBondContact N-O 2.67Å; I598-L607 HydrophobicContact CG1-CD1 3.86Å; I598-L607 HydrophobicContact CG1-CG 3.8Å; I598-L607 HydrophobicContact CG2-CD1 4.24Å; I598-F621 HydrophobicContact CD1-CE1 3.93Å; I598-L636 HydrophobicContact CB-CD1 3.98Å; I598-L636 HydrophobicContact CG1-CD1 4.42Å; I598-L636 HydrophobicContact CG2-CD1 4Å; I598-E637 CarbonylContact C-O 3.5Å; I598-E637 VanDerWaalsContact CA-O 3.3Å; I598-E637 WeakPolarHBondContact CA-O 3.38Å; I598-I638 HydrophobicContact CG2-CD1 3.56Å |
| 599 | R | 91.5 | Very high | 94.5 | Very high | 21 Ų | 21 | 18.1 Ų | 18.1 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.2 | 155 | -60.9 | -71.1 | -177.7 | -93.5 | -2.5 | 107.9 | C603 E637 V639 | R599-C603 WeakPolarHBondContact CA-O 3.28Å; R599-E637 HydrophobicContact CB-CB 4.15Å; R599-E637 WeakPolarHBondContact CB-OE2 3.49Å; R599-E637 PolarHBondContact N-O 2.82Å; R599-E637 WeakPolarHBondContact O-CB 3.31Å; R599-E637 PolarHBondContact O-N 3.43Å; R599-V639 HydrophobicContact CG-CG2 4.19Å |
| 600 | F | 92.4 | Very high | 95 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 123.5 | 177.9 | 177.6 | -102.2 | 0 | 0 | 0 | 109.2 | I541 I545 V550 I598 G602 C603 M619 F621 N634 L636 | I541-F600 HydrophobicContact CB-CE2 3.68Å; I541-F600 HydrophobicContact CB-CZ 3.97Å; I541-F600 HydrophobicContact CG1-CD2 4.24Å; I541-F600 HydrophobicContact CG1-CE2 3.57Å; I541-F600 HydrophobicContact CG1-CZ 4.25Å; I541-F600 HydrophobicContact CG2-CE2 4.38Å; I541-F600 HydrophobicContact CG2-CZ 4.22Å; I545-F600 HydrophobicContact CB-CE1 4.47Å; V550-F600 HydrophobicContact CG1-CE1 4.16Å; I598-F600 HydrophobicContact CD1-CB 4.29Å; F600-G602 PolarHBondContact O-N 3.12Å; F600-G602 VanDerWaalsContact O-N 3.12Å; F600-C603 PolarHBondContact N-O 2.68Å; F600-C603 VanDerWaalsContact N-O 3.16Å; F600-C603 WeakPolarHBondContact O-CA 3.27Å; F600-C603 VanDerWaalsContact O-CB 3.28Å; F600-C603 WeakPolarHBondContact O-CB 3.5Å; F600-C603 PolarHBondContact O-N 2.69Å; F600-M619 HydrophobicContact CD2-CE 4.49Å; F600-M619 HydrophobicContact CE1-CE 4.37Å; F600-M619 HydrophobicContact CE2-CE 4.3Å; F600-M619 HydrophobicContact CZ-CE 4.23Å; F600-F621 HydrophobicContact CB-CZ 3.93Å; F600-F621 AromaticContact CD1-CE2 3.48Å; F600-F621 HydrophobicContact CD1-CE2 3.48Å; F600-F621 VanDerWaalsContact CD1-CE2 3.48Å; F600-F621 AromaticContact CD1-CZ 3.56Å; F600-F621 HydrophobicContact CD1-CZ 3.56Å; F600-F621 AromaticContact CE1-CE2 3.95Å; F600-F621 HydrophobicContact CE1-CE2 3.95Å; F600-F621 HydrophobicContact CE1-CZ 4.42Å; F600-F621 HydrophobicContact CG-CE2 4.33Å; F600-F621 AromaticContact CG-CZ 3.98Å; F600-F621 HydrophobicContact CG-CZ 3.98Å; F600-N634 WeakPolarHBondContact CE2-O 3.33Å; F600-L636 HydrophobicContact CB-CD1 4.02Å; F600-L636 HydrophobicContact CD2-CB 4.17Å; F600-L636 HydrophobicContact CD2-CD1 4.32Å; F600-L636 HydrophobicContact CG-CD1 4.47Å |
| 601 | A | 89.8 | Confident | 95.4 | Very high | 3 Ų | 3 | 14 Ų | 14 | 3% | 0.025 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | -121.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R426 T630 S633 | R426-A601 PolarHBondContact NH1-O 3.29Å; R426-A601 PolarHBondContact NH2-O 2.85Å; A601-T630 VanDerWaalsContact C-CG2 3.46Å; A601-T630 HydrophobicContact CB-CG2 3.78Å; A601-S633 WeakPolarHBondContact CA-O 3.19Å; A601-S633 WeakPolarHBondContact CB-O 3.28Å |
| 602 | G | 91.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F600 K627 F628 | F600-G602 PolarHBondContact O-N 3.12Å; F600-G602 VanDerWaalsContact O-N 3.12Å; G602-K627 PolarHBondContact O-N 2.83Å; G602-F628 WeakPolarHBondContact CA-O 3.34Å; G602-F628 PolarHBondContact O-N 2.84Å |
| 603 | C | 94 | Very high | 95.6 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.6 | 177.4 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | I545 R599 F600 F621 M625 | I545-C603 WeakPolarHBondContact CD1-SG 3.43Å; R599-C603 WeakPolarHBondContact CA-O 3.28Å; F600-C603 PolarHBondContact N-O 2.68Å; F600-C603 VanDerWaalsContact N-O 3.16Å; F600-C603 WeakPolarHBondContact O-CA 3.27Å; F600-C603 VanDerWaalsContact O-CB 3.28Å; F600-C603 WeakPolarHBondContact O-CB 3.5Å; F600-C603 PolarHBondContact O-N 2.69Å; C603-F621 HydrophobicContact CB-CD1 3.99Å; C603-F621 HydrophobicContact CB-CE1 3.98Å; C603-F621 HydrophobicContact CB-CG 4.49Å; C603-F621 HydrophobicContact CB-CZ 4.44Å; C603-M625 VanDerWaalsContact CA-O 3.23Å; C603-M625 WeakPolarHBondContact CA-O 3.45Å |
| 604 | K | 94.7 | Very high | 95.5 | Very high | 38 Ų | 38 | 20 Ų | 20 | 17% | 0.165 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.4 | 169.4 | 153.6 | 169.3 | -161.7 | -140.7 | 0 | 108.8 | M625 K627 D846 | K604-M625 PolarHBondContact N-O 3.33Å; K604-M625 WeakPolarHBondContact O-CB 3.34Å; K604-K627 HydrophobicContact CB-CG 4.22Å; K604-D846 WeakPolarHBondContact CE-OD1 3.45Å; K604-D846 VanDerWaalsContact CE-OD2 3.27Å; K604-D846 WeakPolarHBondContact CE-OD2 3.37Å; K604-D846 IonicContact NZ-OD1 3.6Å; K604-D846 PolarHBondContact NZ-OD1 2.91Å; K604-D846 IonicContact NZ-OD2 3.38Å; K604-D846 PolarHBondContact NZ-OD2 3Å |
| 605 | G | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | -156.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G571 I598 | G571-G605 CarbonylContact O-C 3.59Å; G571-G605 WeakPolarHBondContact O-CA 3.18Å; I598-G605 PolarHBondContact N-O 2.67Å |
| 606 | M | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 143.9 | 171.1 | -64.2 | -60.2 | -67.2 | 0 | 0 | 110.7 | G571 V572 G573 A595 F596 Q597 M625 F759 L845 G847 | G571-M606 PolarHBondContact O-N 3.25Å; V572-M606 CarbonylContact C-O 3.5Å; V572-M606 WeakPolarHBondContact CA-O 3.48Å; V572-M606 HydrophobicContact CB-CB 4.42Å; V572-M606 HydrophobicContact CG2-CB 4.09Å; G573-M606 PolarHBondContact N-O 2.89Å; A595-M606 HydrophobicContact CB-CE 3.79Å; F596-M606 CarbonylContact O-C 3.47Å; F596-M606 WeakPolarHBondContact O-CA 3.44Å; Q597-M606 WeakPolarHBondContact CA-SD 3.48Å; Q597-M606 HydrophobicContact CB-CE 4.36Å; Q597-M606 HydrophobicContact CB-SD 3.45Å; Q597-M606 WeakPolarHBondContact CB-SD 3.3Å; Q597-M606 HydrophobicContact CG-SD 3.76Å; M606-M625 VanDerWaalsContact O-CE 3.31Å; M606-M625 WeakPolarHBondContact O-CE 3.48Å; M606-F759 HydrophobicContact CE-CB 3.88Å; M606-F759 HydrophobicContact CE-CD1 4.06Å; M606-F759 HydrophobicContact CE-CD2 3.96Å; M606-F759 HydrophobicContact CE-CG 3.71Å; M606-F759 HydrophobicContact SD-CD1 4.33Å; M606-L845 WeakPolarHBondContact CB-O 3.28Å; M606-L845 WeakPolarHBondContact CG-O 3.14Å; M606-G847 WeakPolarHBondContact SD-CA 3.47Å |
| 607 | L | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.8 | 164.6 | -66.2 | 177.4 | 0 | 0 | 0 | 108.9 | I575 A595 F596 I598 M619 F621 M625 L636 | I575-L607 HydrophobicContact CB-CB 4.04Å; I575-L607 HydrophobicContact CB-CD1 4.39Å; I575-L607 HydrophobicContact CG2-CB 4.09Å; A595-L607 CarbonylContact C-O 3.47Å; A595-L607 VanDerWaalsContact CA-O 3.26Å; A595-L607 WeakPolarHBondContact CA-O 3.41Å; F596-L607 PolarHBondContact N-O 3.39Å; F596-L607 PolarHBondContact O-N 3.2Å; I598-L607 HydrophobicContact CG1-CD1 3.86Å; I598-L607 HydrophobicContact CG1-CG 3.8Å; I598-L607 HydrophobicContact CG2-CD1 4.24Å; L607-M619 HydrophobicContact CD1-CG 4.24Å; L607-M619 HydrophobicContact CD1-SD 3.72Å; L607-F621 HydrophobicContact CD1-CE1 4.33Å; L607-F621 HydrophobicContact CD1-CZ 4.49Å; L607-F621 HydrophobicContact CD2-CD1 4.19Å; L607-F621 HydrophobicContact CD2-CE1 3.86Å; L607-F621 HydrophobicContact CG-CE1 4.46Å; L607-M625 HydrophobicContact CD2-CE 4.1Å; L607-L636 HydrophobicContact CD1-CD1 4.43Å |
| 608 | A | 98.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G573 Q574 I575 N610 I761 | G573-A608 PolarHBondContact O-N 2.93Å; Q574-A608 CarbonylContact C-O 3.58Å; Q574-A608 VanDerWaalsContact CA-O 3.27Å; Q574-A608 WeakPolarHBondContact CA-O 3.35Å; I575-A608 PolarHBondContact N-O 2.87Å; A608-N610 PolarHBondContact O-N 2.87Å; A608-I761 HydrophobicContact CB-CB 4.27Å; A608-I761 HydrophobicContact CB-CD1 3.93Å; A608-I761 HydrophobicContact CB-CG2 4.16Å |
| 609 | V | 98.2 | Very high | 94.9 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 120.7 | 175.8 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | I575 V577 A580 P593 S594 F596 H821 | I575-V609 HydrophobicContact CG2-CB 4.44Å; I575-V609 HydrophobicContact CG2-CG2 3.9Å; I575-V609 WeakPolarHBondContact O-CA 3.48Å; V577-V609 HydrophobicContact CG2-CG1 3.91Å; A580-V609 HydrophobicContact CB-CG2 3.72Å; P593-V609 WeakPolarHBondContact O-CG2 3.38Å; S594-V609 PolarHBondContact O-N 3.45Å; F596-V609 HydrophobicContact CE2-CG2 3.93Å; V609-H821 PolarHBondContact O-CD2 2.97Å; V609-H821 PolarHBondContact O-NE2 2.87Å |
| 610 | N | 97.6 | Very high | 95.2 | Very high | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | trans | -125.4 | 106.7 | 177.9 | -176.2 | 1.7 | 0 | 0 | 0 | 111.4 | Q574 I575 A608 R612 L613 | Q574-N610 HydrophobicContact CB-CB 4.23Å; Q574-N610 HydrophobicContact CG-CB 4.49Å; Q574-N610 PolarHBondContact OE1-ND2 2.8Å; I575-N610 PolarHBondContact O-N 3.43Å; A608-N610 PolarHBondContact O-N 2.87Å; N610-R612 PolarHBondContact O-N 2.85Å; N610-R612 VanDerWaalsContact O-N 3.16Å; N610-R612 WeakPolarHBondContact OD1-CB 3.31Å; N610-R612 PolarHBondContact OD1-N 2.72Å; N610-L613 HydrophobicContact CB-CD1 4.42Å; N610-L613 HydrophobicContact CB-CG 4.09Å; N610-L613 PolarHBondContact O-N 2.81Å | ||
| 611 | P | 96.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 33.9 Ų | 33.9 | 46% | 0.455 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.6 | 175.8 | -21.6 | 32.9 | 0 | 0 | 0 | 115.1 | V577 H821 | V577-P611 HydrophobicContact CG2-CB 4.07Å; V577-P611 HydrophobicContact CG2-CG 3.99Å; P611-H821 WeakPolarHBondContact CD-CD2 3.11Å; P611-H821 VanDerWaalsContact CD-NE2 3.31Å; P611-H821 WeakPolarHBondContact CD-NE2 3.32Å; P611-H821 HydrophobicContact CG-CB 4.28Å |
| 612 | R | 94.7 | Very high | 95.8 | Very high | 126 Ų | 126 | 33.9 Ų | 33.9 | 48% | 0.475 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 3 | -179.5 | -58.1 | -175.4 | 175.5 | 84.5 | 9.5 | 113.6 | N610 T765 L818 | N610-R612 PolarHBondContact O-N 2.85Å; N610-R612 VanDerWaalsContact O-N 3.16Å; N610-R612 WeakPolarHBondContact OD1-CB 3.31Å; N610-R612 PolarHBondContact OD1-N 2.72Å; R612-T765 VanDerWaalsContact NH1-CG2 3.3Å; R612-L818 PolarHBondContact NH1-O 3.41Å; R612-L818 PolarHBondContact NH2-O 3.39Å |
| 613 | L | 95.6 | Very high | 96 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -62.8 | 137.5 | 172.9 | -75.3 | 176.7 | 0 | 0 | 0 | 110.1 | Q574 N610 V620 | Q574-L613 HydrophobicContact CB-CD1 3.94Å; Q574-L613 HydrophobicContact CB-CD2 4.18Å; Q574-L613 HydrophobicContact CB-CG 4.39Å; N610-L613 HydrophobicContact CB-CD1 4.42Å; N610-L613 HydrophobicContact CB-CG 4.09Å; N610-L613 PolarHBondContact O-N 2.81Å; L613-V620 HydrophobicContact CD1-CG2 4.43Å; L613-V620 HydrophobicContact CD2-CB 4.48Å; L613-V620 HydrophobicContact CD2-CG2 3.49Å; L613-V620 VanDerWaalsContact CD2-CG2 3.49Å |
| 614 | P | 94.1 | Very high | 96.1 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | trans | -52.8 | 141.7 | 168.1 | -23.3 | 32.4 | 0 | 0 | 0 | 110.9 | V616 Q617 | P614-V616 PolarHBondContact O-N 3.02Å; P614-Q617 HydrophobicContact CB-CG 4.41Å; P614-Q617 HydrophobicContact CG-CG 4.44Å; P614-Q617 PolarHBondContact O-N 3.39Å | ||
| 615 | E | 90.7 | Very high | 96.2 | Very high | 176 Ų | 176 | 38 Ų | 38 | 82% | 0.822 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.9 | -174.8 | -66 | -176 | 168.4 | 0 | 0 | 114.4 | K618 | E615-K618 PolarHBondContact O-NZ 3.43Š|
| 616 | V | 93.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 40.2 Ų | 40.2 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -38.5 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | E549 P614 K618 | E549-V616 VanDerWaalsContact CA-O 3.3Å; E549-V616 WeakPolarHBondContact CA-O 3.3Å; E549-V616 HydrophobicContact CG-CG1 4.37Å; E549-V616 WeakPolarHBondContact CG-O 3.47Å; P614-V616 PolarHBondContact O-N 3.02Å; V616-K618 PolarHBondContact O-N 3.31Å |
| 617 | Q | 95.7 | Very high | 95.8 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | trans | -79.2 | 117.2 | -175.8 | -67.3 | -179.7 | -3.2 | 0 | 0 | 110.7 | S548 P551 P614 V620 | S548-Q617 WeakPolarHBondContact O-CG 3.44Å; P551-Q617 HydrophobicContact CG-CG 4.06Å; P614-Q617 HydrophobicContact CB-CG 4.41Å; P614-Q617 HydrophobicContact CG-CG 4.44Å; P614-Q617 PolarHBondContact O-N 3.39Å; Q617-V620 HydrophobicContact CB-CG2 4.25Å | ||
| 618 | K | 95.2 | Very high | 95.6 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -93.7 | -38.7 | 178.2 | -55.4 | -51.4 | -177.1 | -168.4 | 0 | 111.8 | Y543 E549 S576 L579 E615 V616 | Y543-K618 HydrophobicContact CD2-CG 4.28Å; Y543-K618 HydrophobicContact CE2-CG 3.91Å; E549-K618 HydrophobicContact CB-CG 4.13Å; E549-K618 PolarHBondContact O-N 2.81Å; S576-K618 WeakPolarHBondContact CB-O 3.36Å; S576-K618 PolarHBondContact N-O 3.01Å; S576-K618 PolarHBondContact OG-O 2.95Å; L579-K618 HydrophobicContact CD2-CB 4.18Å; E615-K618 PolarHBondContact O-NZ 3.43Å; V616-K618 PolarHBondContact O-N 3.31Å |
| 619 | M | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 148.4 | 171.5 | -65 | -176.9 | -72.5 | 0 | 0 | 109.6 | I541 E549 V550 P551 Q574 I575 L579 F600 L607 F621 L636 | I541-M619 HydrophobicContact CB-CE 4.26Å; I541-M619 HydrophobicContact CD1-CE 3.98Å; I541-M619 HydrophobicContact CG1-CE 3.69Å; I541-M619 HydrophobicContact CG2-CE 3.76Å; E549-M619 PolarHBondContact O-N 2.91Å; V550-M619 WeakPolarHBondContact CA-O 3.39Å; V550-M619 HydrophobicContact CG1-CB 4.36Å; V550-M619 HydrophobicContact CG1-CE 4.21Å; V550-M619 HydrophobicContact CG2-CE 4.08Å; P551-M619 VanDerWaalsContact CD-O 3.28Å; P551-M619 WeakPolarHBondContact CD-O 3.36Å; Q574-M619 CarbonylContact O-C 3.6Å; Q574-M619 VanDerWaalsContact O-CA 3.3Å; Q574-M619 WeakPolarHBondContact O-CA 3.33Å; I575-M619 HydrophobicContact CG1-CG 4.19Å; L579-M619 HydrophobicContact CD2-CE 4.25Å; L579-M619 HydrophobicContact CD2-CG 3.48Å; L579-M619 VanDerWaalsContact CD2-CG 3.48Å; L579-M619 HydrophobicContact CD2-SD 3.9Å; F600-M619 HydrophobicContact CD2-CE 4.49Å; F600-M619 HydrophobicContact CE1-CE 4.37Å; F600-M619 HydrophobicContact CE2-CE 4.3Å; F600-M619 HydrophobicContact CZ-CE 4.23Å; L607-M619 HydrophobicContact CD1-CG 4.24Å; L607-M619 HydrophobicContact CD1-SD 3.72Å; M619-F621 HydrophobicContact CB-CE2 4.34Å; M619-F621 HydrophobicContact CE-CE2 4.35Å; M619-F621 HydrophobicContact CE-CZ 4.42Å; M619-F621 HydrophobicContact SD-CZ 4.14Å; M619-L636 HydrophobicContact SD-CD1 4.17Å; M619-L636 HydrophobicContact SD-CD2 4.07Å |
| 620 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.1 | 174.1 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | P551 Q553 G573 Q574 L613 Q617 | P551-V620 HydrophobicContact CG-CG2 4.08Å; Q553-V620 HydrophobicContact CB-CG1 4.3Å; Q553-V620 HydrophobicContact CG-CG1 3.69Å; G573-V620 CarbonylContact C-O 3.58Å; G573-V620 WeakPolarHBondContact CA-O 3.29Å; Q574-V620 HydrophobicContact CB-CB 4.2Å; Q574-V620 PolarHBondContact N-O 3.42Å; Q574-V620 PolarHBondContact O-N 2.96Å; L613-V620 HydrophobicContact CD1-CG2 4.43Å; L613-V620 HydrophobicContact CD2-CB 4.48Å; L613-V620 HydrophobicContact CD2-CG2 3.49Å; L613-V620 VanDerWaalsContact CD2-CG2 3.49Å; Q617-V620 HydrophobicContact CB-CG2 4.25Å |
| 621 | F | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 159.7 | 173.1 | -67.1 | -68 | 0 | 0 | 0 | 110.9 | I545 V550 P551 I552 Q553 I598 F600 C603 L607 M619 M625 | I545-F621 HydrophobicContact CD1-CD2 4.3Å; I545-F621 HydrophobicContact CG1-CD2 4.36Å; V550-F621 HydrophobicContact CG1-CD2 3.64Å; V550-F621 HydrophobicContact CG1-CE2 3.42Å; V550-F621 VanDerWaalsContact CG1-CE2 3.42Å; P551-F621 PolarHBondContact O-N 2.79Å; I552-F621 CarbonylContact C-O 3.48Å; I552-F621 WeakPolarHBondContact CA-O 3.44Å; I552-F621 HydrophobicContact CG1-CB 4.48Å; Q553-F621 PolarHBondContact N-O 3.38Å; I598-F621 HydrophobicContact CD1-CE1 3.93Å; F600-F621 HydrophobicContact CB-CZ 3.93Å; F600-F621 AromaticContact CD1-CE2 3.48Å; F600-F621 HydrophobicContact CD1-CE2 3.48Å; F600-F621 VanDerWaalsContact CD1-CE2 3.48Å; F600-F621 AromaticContact CD1-CZ 3.56Å; F600-F621 HydrophobicContact CD1-CZ 3.56Å; F600-F621 AromaticContact CE1-CE2 3.95Å; F600-F621 HydrophobicContact CE1-CE2 3.95Å; F600-F621 HydrophobicContact CE1-CZ 4.42Å; F600-F621 HydrophobicContact CG-CE2 4.33Å; F600-F621 AromaticContact CG-CZ 3.98Å; F600-F621 HydrophobicContact CG-CZ 3.98Å; C603-F621 HydrophobicContact CB-CD1 3.99Å; C603-F621 HydrophobicContact CB-CE1 3.98Å; C603-F621 HydrophobicContact CB-CG 4.49Å; C603-F621 HydrophobicContact CB-CZ 4.44Å; L607-F621 HydrophobicContact CD1-CE1 4.33Å; L607-F621 HydrophobicContact CD1-CZ 4.49Å; L607-F621 HydrophobicContact CD2-CD1 4.19Å; L607-F621 HydrophobicContact CD2-CE1 3.86Å; L607-F621 HydrophobicContact CG-CE1 4.46Å; M619-F621 HydrophobicContact CB-CE2 4.34Å; M619-F621 HydrophobicContact CE-CE2 4.35Å; M619-F621 HydrophobicContact CE-CZ 4.42Å; M619-F621 HydrophobicContact SD-CZ 4.14Å; F621-M625 HydrophobicContact CB-SD 4.33Å; F621-M625 HydrophobicContact CD1-CE 3.76Å; F621-M625 HydrophobicContact CD1-SD 3.87Å; F621-M625 HydrophobicContact CE1-CE 4.19Å |
| 622 | R | 97.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 1% | 0.011 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 157 | 168.9 | -56.6 | -68.2 | -179.5 | -169.4 | -10.9 | 110.9 | Q553 E554 D555 H556 V572 S624 M625 E764 | Q553-R622 VanDerWaalsContact CB-NH1 3.34Å; Q553-R622 WeakPolarHBondContact O-CA 3.29Å; E554-R622 PolarHBondContact O-NH1 3.21Å; E554-R622 VanDerWaalsContact O-NH1 3.15Å; D555-R622 VanDerWaalsContact OD1-CB 3.29Å; D555-R622 WeakPolarHBondContact OD1-CB 3.21Å; H556-R622 PolarHBondContact CE1-NH1 3.14Å; H556-R622 VanDerWaalsContact NE2-CZ 3.27Å; H556-R622 PolarHBondContact NE2-NH1 3.49Å; H556-R622 PolarHBondContact NE2-NH2 3.23Å; V572-R622 WeakPolarHBondContact O-CG 3.26Å; R622-S624 PolarHBondContact O-N 2.76Å; R622-M625 HydrophobicContact CB-CG 4.11Å; R622-M625 HydrophobicContact CB-SD 4.23Å; R622-M625 HydrophobicContact CG-SD 4.36Å; R622-M625 PolarHBondContact N-SD 2.86Å; R622-M625 VanDerWaalsContact N-SD 3.4Å; R622-M625 WeakPolarHBondContact O-CB 3.48Å; R622-M625 PolarHBondContact O-N 3.27Å; R622-E764 IonicContact CZ-OE1 2.75Å; R622-E764 IonicContact NE-OE1 3.82Å; R622-E764 VanDerWaalsContact NH2-CD 3.3Å; R622-E764 IonicContact NH2-OE1 3.95Å; R622-E764 PolarHBondContact NH2-OE1 3.19Å; R622-E764 IonicContact NH2-OE2 3.82Å; R622-E764 PolarHBondContact NH2-OE2 3.12Å; R622-E764 VanDerWaalsContact NH2-OE2 3.08Å |
| 623 | E | 95.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 54 Ų | 54 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -53.9 | -43.2 | 176 | -68.8 | -176.5 | 159.3 | 0 | 0 | 112.1 | I552 Q553 M625 L626 | I552-E623 HydrophobicContact CG2-CG 4.08Å; Q553-E623 PolarHBondContact O-N 2.88Å; Q553-E623 VanDerWaalsContact O-N 3.11Å; E623-M625 PolarHBondContact O-N 3.04Å; E623-L626 PolarHBondContact O-N 2.68Å; E623-L626 VanDerWaalsContact O-N 3.12Å |
| 624 | S | 94.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -55.6 | -33.4 | 175.3 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | D555 S569 D570 G571 R622 K627 | D555-S624 WeakPolarHBondContact OD1-CB 3.46Å; D555-S624 PolarHBondContact OD1-OG 3.16Å; D555-S624 WeakPolarHBondContact OD2-CA 3.45Å; D555-S624 WeakPolarHBondContact OD2-CB 3.24Å; D555-S624 PolarHBondContact OD2-N 3.14Å; D555-S624 PolarHBondContact OD2-OG 2.8Å; S569-S624 PolarHBondContact O-OG 2.8Å; D570-S624 WeakPolarHBondContact OD1-CB 3.44Å; G571-S624 PolarHBondContact N-OG 2.9Å; R622-S624 PolarHBondContact O-N 2.76Å; S624-K627 WeakPolarHBondContact O-CD 3.24Å; S624-K627 WeakPolarHBondContact O-CE 2.82Å; S624-K627 PolarHBondContact O-NZ 2.8Å |
| 625 | M | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -73.5 | -30.8 | -178.9 | -59.4 | 175.6 | 83 | 0 | 0 | 112.3 | G573 C603 K604 M606 L607 F621 R622 E623 K627 | G573-M625 PolarHBondContact N-SD 3.27Å; G573-M625 VanDerWaalsContact N-SD 3.38Å; C603-M625 VanDerWaalsContact CA-O 3.23Å; C603-M625 WeakPolarHBondContact CA-O 3.45Å; K604-M625 PolarHBondContact N-O 3.33Å; K604-M625 WeakPolarHBondContact O-CB 3.34Å; M606-M625 VanDerWaalsContact O-CE 3.31Å; M606-M625 WeakPolarHBondContact O-CE 3.48Å; L607-M625 HydrophobicContact CD2-CE 4.1Å; F621-M625 HydrophobicContact CB-SD 4.33Å; F621-M625 HydrophobicContact CD1-CE 3.76Å; F621-M625 HydrophobicContact CD1-SD 3.87Å; F621-M625 HydrophobicContact CE1-CE 4.19Å; R622-M625 HydrophobicContact CB-CG 4.11Å; R622-M625 HydrophobicContact CB-SD 4.23Å; R622-M625 HydrophobicContact CG-SD 4.36Å; R622-M625 PolarHBondContact N-SD 2.86Å; R622-M625 VanDerWaalsContact N-SD 3.4Å; R622-M625 WeakPolarHBondContact O-CB 3.48Å; R622-M625 PolarHBondContact O-N 3.27Å; E623-M625 PolarHBondContact O-N 3.04Å; M625-K627 WeakPolarHBondContact O-CG 3.39Å; M625-K627 PolarHBondContact O-N 3.27Å; M625-K627 VanDerWaalsContact O-N 3.15Å |
| 626 | L | 94.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -75.2 | 99.7 | 179.7 | -177.7 | 66.3 | 0 | 0 | 0 | 110.3 | I545 I552 E623 F628 R629 | I545-L626 HydrophobicContact CD1-CD1 3.9Å; I552-L626 HydrophobicContact CD1-CD2 3.77Å; E623-L626 PolarHBondContact O-N 2.68Å; E623-L626 VanDerWaalsContact O-N 3.12Å; L626-F628 WeakPolarHBondContact CD1-O 3.3Å; L626-R629 HydrophobicContact CD2-CG 4.49Å |
| 627 | K | 93.1 | Very high | 91.5 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 15% | 0.152 | 20% | 0.2 | C | C | . | . | trans | -90.9 | -25.9 | -173.5 | -55.7 | -49.8 | -176 | 178.1 | 0 | 113.5 | D570 G602 K604 S624 M625 | D570-K627 IonicContact OD1-NZ 3.24Å; G602-K627 PolarHBondContact O-N 2.83Å; K604-K627 HydrophobicContact CB-CG 4.22Å; S624-K627 WeakPolarHBondContact O-CD 3.24Å; S624-K627 WeakPolarHBondContact O-CE 2.82Å; S624-K627 PolarHBondContact O-NZ 2.8Å; M625-K627 WeakPolarHBondContact O-CG 3.39Å; M625-K627 PolarHBondContact O-N 3.27Å; M625-K627 VanDerWaalsContact O-N 3.15Å | ||
| 628 | F | 92.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -160 | 168.2 | 173.3 | 62.1 | -87.7 | 0 | 0 | 0 | 109.4 | M512 F515 R527 Q530 G602 L626 T630 | M512-F628 VanDerWaalsContact O-CE2 3.28Å; M512-F628 WeakPolarHBondContact O-CE2 3.32Å; F515-F628 HydrophobicContact CD1-CB 4Å; F515-F628 HydrophobicContact CD1-CD2 4.38Å; F515-F628 HydrophobicContact CD1-CG 4.1Å; F515-F628 HydrophobicContact CE1-CB 4.08Å; F515-F628 AromaticContact CE1-CD1 3.93Å; F515-F628 HydrophobicContact CE1-CD1 3.93Å; F515-F628 AromaticContact CE1-CD2 3.73Å; F515-F628 HydrophobicContact CE1-CD2 3.73Å; F515-F628 HydrophobicContact CE1-CE1 4.25Å; F515-F628 HydrophobicContact CE1-CE2 4.09Å; F515-F628 AromaticContact CE1-CG 3.65Å; F515-F628 HydrophobicContact CE1-CG 3.65Å; F515-F628 HydrophobicContact CE1-CZ 4.32Å; F515-F628 HydrophobicContact CZ-CD2 4.2Å; F515-F628 HydrophobicContact CZ-CE2 4.24Å; R527-F628 HydrophobicContact CB-CD1 3.88Å; R527-F628 HydrophobicContact CB-CE1 4.42Å; R527-F628 HydrophobicContact CG-CD1 4.35Å; Q530-F628 HydrophobicContact CB-CE1 4.5Å; G602-F628 WeakPolarHBondContact CA-O 3.34Å; G602-F628 PolarHBondContact O-N 2.84Å; L626-F628 WeakPolarHBondContact CD1-O 3.3Å; F628-T630 HydrophobicContact CE2-CG2 4.24Å |
| 629 | R | 90.5 | Very high | 90.9 | Very high | 188 Ų | 188 | 39.4 Ų | 39.4 | 71% | 0.709 | 19% | 0.192 | S | C | * | . | B | Isolated β-bridge | trans | -101 | 145 | 178.1 | -68.4 | -176.6 | 179.7 | 177.1 | 0 | 110.6 | N514 L626 | N514-R629 PolarHBondContact N-O 2.85Å; L626-R629 HydrophobicContact CD2-CG 4.49Å |
| 630 | T | 88.6 | Confident | 90.6 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | trans | -151.9 | 143.9 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | A601 F628 T632 | A601-T630 VanDerWaalsContact C-CG2 3.46Å; A601-T630 HydrophobicContact CB-CG2 3.78Å; F628-T630 HydrophobicContact CE2-CG2 4.24Å; T630-T632 PolarHBondContact OG1-N 2.96Å; T630-T632 PolarHBondContact OG1-OG1 3.31Å | ||
| 631 | E | 81.2 | Confident | 90.4 | Very high | 194 Ų | 194 | 43.7 Ų | 43.7 | 91% | 0.907 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -105.2 | -2.8 | 174.7 | -63.1 | 176.6 | -176.2 | 0 | 0 | 111.4 | ||
| 632 | T | 78 | Confident | 90.3 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -94.9 | -4.8 | -168.3 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | W511 T630 | W511-T632 HydrophobicContact CG-CG2 4.47Å; W511-T632 PolarHBondContact O-OG1 2.84Å; T630-T632 PolarHBondContact OG1-N 2.96Å; T630-T632 PolarHBondContact OG1-OG1 3.31Å |
| 633 | S | 80.1 | Confident | 90.1 | Very high | 11 Ų | 11 | 49 Ų | 49 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | trans | -146.9 | 116.5 | -171.2 | -174.7 | 0 | 0 | 0 | 0 | 113 | A601 | A601-S633 WeakPolarHBondContact CA-O 3.19Å; A601-S633 WeakPolarHBondContact CB-O 3.28Å | ||
| 634 | N | 86.1 | Confident | 90.1 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 31% | 0.305 | 22% | 0.217 | S | C | . | . | trans | -118.1 | 27.5 | 172.6 | -68.3 | -16.3 | 0 | 0 | 0 | 112 | I541 F600 | I541-N634 PolarHBondContact N-O 3.16Å; I541-N634 WeakPolarHBondContact O-CB 3.48Å; F600-N634 WeakPolarHBondContact CE2-O 3.33Å | ||
| 635 | V | 88.5 | Confident | 90 | Very high | 32 Ų | 32 | 45 Ų | 45 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.3 | -179.9 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | S537 E637 | S537-V635 WeakPolarHBondContact OG-CG1 3.15Å; V635-E637 HydrophobicContact CG1-CG 4.33Å |
| 636 | L | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.3 | 172.7 | -177.2 | 62.6 | 0 | 0 | 0 | 109.9 | A538 V539 I541 V583 I598 F600 L607 M619 I638 | A538-L636 PolarHBondContact N-O 2.8Å; V539-L636 WeakPolarHBondContact O-CB 3.41Å; V539-L636 PolarHBondContact O-N 3.49Å; I541-L636 HydrophobicContact CD1-CB 4.15Å; I541-L636 HydrophobicContact CD1-CD2 4.36Å; I541-L636 HydrophobicContact CG1-CB 3.92Å; V583-L636 HydrophobicContact CG2-CD2 3.75Å; I598-L636 HydrophobicContact CB-CD1 3.98Å; I598-L636 HydrophobicContact CG1-CD1 4.42Å; I598-L636 HydrophobicContact CG2-CD1 4Å; F600-L636 HydrophobicContact CB-CD1 4.02Å; F600-L636 HydrophobicContact CD2-CB 4.17Å; F600-L636 HydrophobicContact CD2-CD1 4.32Å; F600-L636 HydrophobicContact CG-CD1 4.47Å; L607-L636 HydrophobicContact CD1-CD1 4.43Å; M619-L636 HydrophobicContact SD-CD1 4.17Å; M619-L636 HydrophobicContact SD-CD2 4.07Å; L636-I638 HydrophobicContact CD1-CD1 4.49Å; L636-I638 HydrophobicContact CD2-CD1 4.28Å; L636-I638 HydrophobicContact CG-CD1 4Å |
| 637 | E | 90 | Very high | 90 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.9 | -176.6 | -59 | 169.7 | 148.7 | 0 | 0 | 109.5 | R426 R429 I598 R599 V635 | R426-E637 WeakPolarHBondContact CB-OE1 3.49Å; R426-E637 VanDerWaalsContact CG-OE1 3.27Å; R426-E637 WeakPolarHBondContact CG-OE1 3.32Å; R426-E637 IonicContact CZ-OE1 3.03Å; R426-E637 IonicContact CZ-OE2 2.72Å; R426-E637 VanDerWaalsContact CZ-OE2 3.24Å; R426-E637 VanDerWaalsContact NE-CD 3.32Å; R426-E637 IonicContact NE-OE1 3.19Å; R426-E637 PolarHBondContact NE-OE1 2.82Å; R426-E637 IonicContact NE-OE2 3.95Å; R426-E637 PolarHBondContact NE-OE2 3.37Å; R426-E637 IonicContact NH2-OE2 2.97Å; R426-E637 PolarHBondContact NH2-OE2 2.75Å; R429-E637 IonicContact CZ-OE1 2.66Å; R429-E637 IonicContact NH1-OE1 3.22Å; R429-E637 PolarHBondContact NH1-OE1 2.93Å; R429-E637 IonicContact NH2-OE1 2.84Å; R429-E637 PolarHBondContact NH2-OE1 2.72Å; I598-E637 CarbonylContact C-O 3.5Å; I598-E637 VanDerWaalsContact CA-O 3.3Å; I598-E637 WeakPolarHBondContact CA-O 3.38Å; R599-E637 HydrophobicContact CB-CB 4.15Å; R599-E637 WeakPolarHBondContact CB-OE2 3.49Å; R599-E637 PolarHBondContact N-O 2.82Å; R599-E637 WeakPolarHBondContact O-CB 3.31Å; R599-E637 PolarHBondContact O-N 3.43Å; V635-E637 HydrophobicContact CG1-CG 4.33Å |
| 638 | I | 89.7 | Confident | 90.1 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123.7 | -179.8 | -52.6 | -53.2 | 0 | 0 | 0 | 109.1 | L536 A538 V583 L587 F596 I598 L636 T641 | L536-I638 PolarHBondContact N-O 2.77Å; L536-I638 VanDerWaalsContact N-O 3.1Å; L536-I638 PolarHBondContact O-N 2.81Å; L536-I638 VanDerWaalsContact O-N 3.11Å; A538-I638 HydrophobicContact CB-CG1 3.83Å; V583-I638 HydrophobicContact CG1-CD1 3.99Å; V583-I638 HydrophobicContact CG1-CG1 3.86Å; L587-I638 HydrophobicContact CD1-CB 3.92Å; L587-I638 HydrophobicContact CD1-CG1 3.73Å; L587-I638 HydrophobicContact CD1-CG2 4.11Å; F596-I638 HydrophobicContact CB-CD1 4.23Å; F596-I638 HydrophobicContact CD1-CD1 4.24Å; F596-I638 HydrophobicContact CD1-CG2 4.43Å; I598-I638 HydrophobicContact CG2-CD1 3.56Å; L636-I638 HydrophobicContact CD1-CD1 4.49Å; L636-I638 HydrophobicContact CD2-CD1 4.28Å; L636-I638 HydrophobicContact CG-CD1 4Å; I638-T641 HydrophobicContact CG2-CG2 3.71Å |
| 639 | V | 88 | Confident | 90.3 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -51.6 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | T533 Q597 R599 | T533-V639 HydrophobicContact CG2-CG1 4.25Å; T533-V639 HydrophobicContact CG2-CG2 3.96Å; Q597-V639 HydrophobicContact CB-CB 4.33Å; Q597-V639 HydrophobicContact CG-CB 4.28Å; Q597-V639 WeakPolarHBondContact O-CB 3.31Å; Q597-V639 PolarHBondContact O-N 3.07Å; R599-V639 HydrophobicContact CG-CG2 4.19Å |
| 640 | K | 89.5 | Confident | 90.6 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 30% | 0.296 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 161 | 178.1 | -75.8 | -176 | 173.9 | -179.5 | 0 | 109.9 | Q597 F759 E849 | Q597-K640 HydrophobicContact CB-CB 4.25Å; Q597-K640 PolarHBondContact N-O 3.3Å; K640-F759 HydrophobicContact CB-CE2 4.22Å; K640-F759 HydrophobicContact CB-CZ 3.82Å; K640-F759 HydrophobicContact CD-CZ 3.89Å; K640-E849 IonicContact NZ-OE1 3.15Å; K640-E849 PolarHBondContact NZ-OE1 2.84Å |
| 641 | T | 93.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.135 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151.6 | 175.9 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | L589 P593 F596 I638 Q643 | L589-T641 HydrophobicContact CD1-CG2 3.86Å; P593-T641 HydrophobicContact CB-CG2 4.48Å; P593-T641 HydrophobicContact CG-CG2 4.05Å; F596-T641 HydrophobicContact CD1-CG2 3.73Å; F596-T641 HydrophobicContact CE1-CG2 4.1Å; I638-T641 HydrophobicContact CG2-CG2 3.71Å; T641-Q643 PolarHBondContact O-N 2.94Å |
| 642 | S | 95.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | trans | -58 | 129.8 | 170.4 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | P593 S594 A595 | P593-S642 WeakPolarHBondContact CB-OG 3.36Å; S594-S642 PolarHBondContact N-OG 3.46Å; A595-S642 PolarHBondContact N-OG 3.05Å; A595-S642 PolarHBondContact O-N 2.61Å; A595-S642 PolarHBondContact O-OG 2.64Å | ||
| 643 | Q | 94.2 | Very high | 92.6 | Very high | 106 Ų | 106 | 29.4 Ų | 29.4 | 50% | 0.495 | 16% | 0.161 | S | C | . | . | trans | -154.8 | 155.5 | -179.8 | 66.2 | -176.1 | -3.8 | 0 | 0 | 108.8 | T641 C645 | T641-Q643 PolarHBondContact O-N 2.94Å; Q643-C645 PolarHBondContact O-N 2.53Å | ||
| 644 | P | 94.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | trans | -65.4 | 119.6 | 175.7 | 27.8 | -35.4 | 0 | 0 | 0 | 110.2 | I781 P784 | P644-I781 HydrophobicContact CB-CB 4.45Å; P644-I781 HydrophobicContact CB-CG1 4.26Å; P644-I781 WeakPolarHBondContact CG-O 3.26Å; P644-I781 WeakPolarHBondContact O-CG2 3.25Å; P644-P784 HydrophobicContact CG-CB 4.25Å; P644-P784 HydrophobicContact CG-CG 4.05Å | ||
| 645 | C | 93.6 | Very high | 94 | Very high | 34 Ų | 34 | 26.4 Ų | 26.4 | 23% | 0.23 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -122.9 | 134 | -179.2 | -73.1 | 0 | 0 | 0 | 0 | 111.2 | Q643 R756 T757 | Q643-C645 PolarHBondContact O-N 2.53Å; C645-R756 VanDerWaalsContact O-CD 3.23Å; C645-R756 WeakPolarHBondContact O-CD 3.29Å; C645-T757 WeakPolarHBondContact CB-O 3.23Å; C645-T757 PolarHBondContact O-N 3.11Å |
| 646 | P | 94.2 | Very high | 94.4 | Very high | 68 Ų | 68 | 25 Ų | 25 | 44% | 0.442 | 14% | 0.135 | S | C | . | . | trans | -63.3 | 159.1 | 172.7 | 29.5 | -33.7 | 0 | 0 | 0 | 110.6 | T757 I781 | P646-T757 PolarHBondContact O-OG1 3.42Å; P646-I781 HydrophobicContact CB-CD1 3.99Å; P646-I781 HydrophobicContact CG-CD1 4.45Å | ||
| 647 | V | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.6 | 178 | 73.3 | 0 | 0 | 0 | 0 | 109.5 | V750 G755 L851 F853 | V647-V750 HydrophobicContact CG1-CB 3.87Å; V647-V750 HydrophobicContact CG1-CG2 4.36Å; V647-V750 PolarHBondContact O-N 2.92Å; V647-G755 VanDerWaalsContact CG1-C 3.45Å; V647-L851 HydrophobicContact CG2-CB 3.76Å; V647-L851 HydrophobicContact CG2-CD2 3.91Å; V647-L851 HydrophobicContact CG2-CG 4.3Å; V647-F853 HydrophobicContact CB-CE1 4.26Å; V647-F853 HydrophobicContact CG1-CD1 3.92Å; V647-F853 HydrophobicContact CG1-CE1 3.6Å; V647-F853 HydrophobicContact CG1-CZ 4.44Å; V647-F853 HydrophobicContact CG2-CD1 4.46Å; V647-F853 HydrophobicContact CG2-CE1 3.6Å; V647-F853 HydrophobicContact CG2-CE2 4.42Å; V647-F853 HydrophobicContact CG2-CZ 3.59Å |
| 648 | N | 96.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 24.9 Ų | 24.9 | 27% | 0.273 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153 | 172.9 | 54.9 | 59.6 | 0 | 0 | 0 | 111.6 | I748 | N648-I748 CarbonylContact C-O 3.49Å; N648-I748 WeakPolarHBondContact CA-O 3.41Å; N648-I748 VanDerWaalsContact CB-O 3.31Å; N648-I748 WeakPolarHBondContact CB-O 3.37Å |
| 649 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 158.3 | 161.2 | -55.6 | 176.2 | 0 | 0 | 0 | 108.9 | L653 I654 L657 I676 L679 L746 K747 I748 V750 F853 | L649-L653 HydrophobicContact CD2-CD2 3.78Å; L649-L653 HydrophobicContact CD2-CG 4.39Å; L649-I654 HydrophobicContact CB-CD1 4.08Å; L649-I654 HydrophobicContact CB-CG1 3.92Å; L649-L657 HydrophobicContact CD2-CD1 4.23Å; L649-I676 HydrophobicContact CD1-CD1 4.37Å; L649-I676 HydrophobicContact CD1-CG1 3.89Å; L649-I676 HydrophobicContact CD1-CG2 4.23Å; L649-L679 HydrophobicContact CD1-CD1 4.17Å; L649-L746 CarbonylContact C-O 3.44Å; L649-K747 CarbonylContact O-C 3.58Å; L649-K747 VanDerWaalsContact O-CA 3.24Å; L649-K747 WeakPolarHBondContact O-CA 3.24Å; L649-I748 HydrophobicContact CB-CB 4.36Å; L649-I748 PolarHBondContact N-O 3.17Å; L649-I748 PolarHBondContact O-N 3.44Å; L649-V750 HydrophobicContact CD2-CG2 4.37Å; L649-V750 HydrophobicContact CG-CG2 4.02Å; L649-F853 HydrophobicContact CD2-CE1 3.87Å; L649-F853 HydrophobicContact CD2-CZ 3.95Å |
| 650 | N | 95.7 | Very high | 95.6 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 12% | 0.123 | 13% | 0.127 | C | C | . | . | trans | -142.7 | 168.3 | 176.1 | 62 | 44.7 | 0 | 0 | 0 | 110.7 | P652 L653 I654 L746 S800 | N650-P652 VanDerWaalsContact OD1-CD 3.3Å; N650-P652 WeakPolarHBondContact OD1-CD 3.42Å; N650-L653 PolarHBondContact O-N 3.43Å; N650-L653 WeakPolarHBondContact OD1-CB 3.28Å; N650-L653 PolarHBondContact OD1-N 3.08Å; N650-I654 WeakPolarHBondContact O-CB 3.5Å; N650-I654 WeakPolarHBondContact O-CG1 3.33Å; N650-I654 PolarHBondContact O-N 3.01Å; N650-L746 WeakPolarHBondContact CA-O 3.33Å; N650-S800 PolarHBondContact ND2-OG 3.33Å; N650-S800 VanDerWaalsContact ND2-OG 3.08Å | ||
| 651 | R | 95.9 | Very high | 95.9 | Very high | 42 Ų | 42 | 20.3 Ų | 20.3 | 16% | 0.158 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -50.6 | -52.8 | -177.2 | -79.1 | 166 | -178.1 | -170.8 | -5.7 | 114.2 | I654 L655 L744 K745 L746 M907 Y955 | R651-I654 PolarHBondContact O-N 3.12Å; R651-L655 WeakPolarHBondContact O-CB 3.42Å; R651-L655 PolarHBondContact O-N 3.24Å; R651-L744 PolarHBondContact NH2-O 3.29Å; R651-K745 WeakPolarHBondContact CG-O 3.49Å; R651-L746 HydrophobicContact CG-CB 4.05Å; R651-L746 HydrophobicContact CG-CD1 3.88Å; R651-L746 HydrophobicContact CG-CG 4.1Å; R651-M907 HydrophobicContact CB-SD 4.12Å; R651-Y955 PolarHBondContact NH2-O 3Å |
| 652 | P | 96.4 | Very high | 95.9 | Very high | 52 Ų | 52 | 22.9 Ų | 22.9 | 34% | 0.338 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 176.6 | -26.3 | 33.6 | 0 | 0 | 0 | 113.3 | N650 I654 L655 I656 C802 | N650-P652 VanDerWaalsContact OD1-CD 3.3Å; N650-P652 WeakPolarHBondContact OD1-CD 3.42Å; P652-I654 PolarHBondContact O-N 2.99Å; P652-L655 PolarHBondContact O-N 3.32Å; P652-I656 WeakPolarHBondContact O-CG1 3.23Å; P652-I656 PolarHBondContact O-N 3.25Å; P652-C802 WeakPolarHBondContact CB-O 3.3Å |
| 653 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | -179.9 | -178.9 | 56.2 | 0 | 0 | 0 | 111.5 | L649 N650 L655 I656 L657 T798 V808 L851 F853 | L649-L653 HydrophobicContact CD2-CD2 3.78Å; L649-L653 HydrophobicContact CD2-CG 4.39Å; N650-L653 PolarHBondContact O-N 3.43Å; N650-L653 WeakPolarHBondContact OD1-CB 3.28Å; N650-L653 PolarHBondContact OD1-N 3.08Å; L653-L655 VanDerWaalsContact C-N 3.27Å; L653-L655 PolarHBondContact O-N 3.38Å; L653-I656 PolarHBondContact O-N 3.32Å; L653-L657 HydrophobicContact CD1-CD1 4.19Å; L653-L657 HydrophobicContact CD1-CD2 4.4Å; L653-L657 HydrophobicContact CD1-CG 4Å; L653-L657 HydrophobicContact CG-CD1 3.97Å; L653-L657 HydrophobicContact CG-CG 4.24Å; L653-L657 WeakPolarHBondContact O-CB 3.48Å; L653-L657 WeakPolarHBondContact O-CG 3.44Å; L653-L657 PolarHBondContact O-N 3.46Å; L653-T798 HydrophobicContact CD1-CG2 4.09Å; L653-T798 HydrophobicContact CD2-CG2 4.17Å; L653-V808 HydrophobicContact CD1-CG1 4.47Å; L653-V808 HydrophobicContact CD1-CG2 3.73Å; L653-L851 HydrophobicContact CD2-CD1 4.48Å; L653-F853 HydrophobicContact CD2-CE2 4.07Å; L653-F853 HydrophobicContact CD2-CZ 3.98Å |
| 654 | I | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.9 | -39.5 | 178 | -67.7 | 165.8 | 0 | 0 | 0 | 111.1 | L649 N650 R651 P652 D658 L746 I748 L969 P970 M973 | L649-I654 HydrophobicContact CB-CD1 4.08Å; L649-I654 HydrophobicContact CB-CG1 3.92Å; N650-I654 WeakPolarHBondContact O-CB 3.5Å; N650-I654 WeakPolarHBondContact O-CG1 3.33Å; N650-I654 PolarHBondContact O-N 3.01Å; R651-I654 PolarHBondContact O-N 3.12Å; P652-I654 PolarHBondContact O-N 2.99Å; I654-D658 WeakPolarHBondContact O-CB 3.37Å; I654-D658 PolarHBondContact O-N 3.45Å; I654-L746 HydrophobicContact CD1-CB 3.76Å; I654-L746 HydrophobicContact CD1-CD1 4.19Å; I654-I748 HydrophobicContact CD1-CD1 3.96Å; I654-L969 HydrophobicContact CG2-CB 4.08Å; I654-L969 HydrophobicContact CG2-CD2 3.82Å; I654-L969 HydrophobicContact CG2-CG 3.92Å; I654-P970 HydrophobicContact CG2-CG 4.02Å; I654-M973 HydrophobicContact CG2-SD 4.43Å |
| 655 | L | 97.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.2 | -43.7 | 177.2 | -172.4 | 65.3 | 0 | 0 | 0 | 111.7 | R651 P652 L653 Q659 M907 A910 W968 P970 | R651-L655 WeakPolarHBondContact O-CB 3.42Å; R651-L655 PolarHBondContact O-N 3.24Å; P652-L655 PolarHBondContact O-N 3.32Å; L653-L655 VanDerWaalsContact C-N 3.27Å; L653-L655 PolarHBondContact O-N 3.38Å; L655-Q659 HydrophobicContact CD1-CG 4.45Å; L655-Q659 WeakPolarHBondContact O-CB 3.26Å; L655-Q659 WeakPolarHBondContact O-CG 3.24Å; L655-Q659 PolarHBondContact O-N 3.02Å; L655-Q659 VanDerWaalsContact O-N 3.16Å; L655-M907 HydrophobicContact CD2-CG 4.19Å; L655-A910 HydrophobicContact CD2-CB 3.82Å; L655-W968 HydrophobicContact CD1-CB 3.8Å; L655-W968 HydrophobicContact CD1-CG 3.96Å; L655-P970 HydrophobicContact CB-CG 4.29Å; L655-P970 HydrophobicContact CD1-CG 4.33Å |
| 656 | I | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -50.8 | 174.2 | -69.4 | 161.9 | 0 | 0 | 0 | 109.8 | P652 L653 Q659 V660 C802 V808 I915 | P652-I656 WeakPolarHBondContact O-CG1 3.23Å; P652-I656 PolarHBondContact O-N 3.25Å; L653-I656 PolarHBondContact O-N 3.32Å; I656-Q659 PolarHBondContact O-N 3.47Å; I656-V660 HydrophobicContact CG2-CG2 4Å; I656-V660 VanDerWaalsContact O-CB 3.27Å; I656-V660 WeakPolarHBondContact O-CB 3.44Å; I656-V660 VanDerWaalsContact O-CG2 3.28Å; I656-V660 WeakPolarHBondContact O-CG2 3.32Å; I656-V660 PolarHBondContact O-N 3.05Å; I656-C802 HydrophobicContact CD1-CB 3.91Å; I656-V808 HydrophobicContact CD1-CG2 4.39Å; I656-V808 HydrophobicContact CG2-CG2 3.78Å; I656-I915 HydrophobicContact CB-CD1 4.29Å; I656-I915 HydrophobicContact CG1-CD1 3.43Å; I656-I915 VanDerWaalsContact CG1-CD1 3.43Å |
| 657 | L | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.9 | -51.1 | -178.9 | -73.1 | -178.8 | 0 | 0 | 0 | 112.3 | L649 L653 Q659 A661 M672 I676 M796 F860 | L649-L657 HydrophobicContact CD2-CD1 4.23Å; L653-L657 HydrophobicContact CD1-CD1 4.19Å; L653-L657 HydrophobicContact CD1-CD2 4.4Å; L653-L657 HydrophobicContact CD1-CG 4Å; L653-L657 HydrophobicContact CG-CD1 3.97Å; L653-L657 HydrophobicContact CG-CG 4.24Å; L653-L657 WeakPolarHBondContact O-CB 3.48Å; L653-L657 WeakPolarHBondContact O-CG 3.44Å; L653-L657 PolarHBondContact O-N 3.46Å; L657-Q659 VanDerWaalsContact C-N 3.32Å; L657-Q659 PolarHBondContact O-N 2.95Å; L657-A661 WeakPolarHBondContact O-CB 3.07Å; L657-A661 PolarHBondContact O-N 3.46Å; L657-M672 VanDerWaalsContact C-SD 3.6Å; L657-M672 HydrophobicContact CB-SD 3.58Å; L657-M672 VanDerWaalsContact CB-SD 3.58Å; L657-M672 HydrophobicContact CD2-CE 4.44Å; L657-M672 HydrophobicContact CD2-SD 4.2Å; L657-M672 HydrophobicContact CG-SD 4.35Å; L657-I676 HydrophobicContact CD1-CD1 4.22Å; L657-M796 HydrophobicContact CD1-CE 4.31Å; L657-M796 HydrophobicContact CD2-CE 4.16Å; L657-M796 HydrophobicContact CD2-SD 3.6Å; L657-M796 VanDerWaalsContact CD2-SD 3.6Å; L657-F860 HydrophobicContact CD2-CD1 4.44Å; L657-F860 HydrophobicContact CD2-CE1 4.15Å |
| 658 | D | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | -179.5 | -171.3 | 27 | 0 | 0 | 0 | 112.3 | I654 E662 R669 Q673 W968 L969 | I654-D658 WeakPolarHBondContact O-CB 3.37Å; I654-D658 PolarHBondContact O-N 3.45Å; D658-E662 PolarHBondContact O-N 3.31Å; D658-E662 VanDerWaalsContact O-N 3.14Å; D658-R669 IonicContact OD1-CZ 2.9Å; D658-R669 IonicContact OD1-NE 3.01Å; D658-R669 PolarHBondContact OD1-NE 3.21Å; D658-R669 IonicContact OD1-NH2 3.71Å; D658-R669 PolarHBondContact OD1-NH2 2.91Å; D658-R669 IonicContact OD2-NH2 3.75Å; D658-Q673 PolarHBondContact OD1-NE2 2.83Å; D658-W968 WeakPolarHBondContact OD2-CA 3.46Å; D658-L969 HydrophobicContact CB-CB 4Å; D658-L969 VanDerWaalsContact OD2-CB 3.3Å; D658-L969 WeakPolarHBondContact OD2-CB 3.47Å; D658-L969 PolarHBondContact OD2-N 3.44Å |
| 659 | Q | 96 | Very high | 94.4 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -80.8 | -36.6 | -178.6 | -66 | -164.5 | 24.3 | 0 | 0 | 113.6 | L655 I656 L657 E662 C663 A910 I915 W968 | L655-Q659 HydrophobicContact CD1-CG 4.45Å; L655-Q659 WeakPolarHBondContact O-CB 3.26Å; L655-Q659 WeakPolarHBondContact O-CG 3.24Å; L655-Q659 PolarHBondContact O-N 3.02Å; L655-Q659 VanDerWaalsContact O-N 3.16Å; I656-Q659 PolarHBondContact O-N 3.47Å; L657-Q659 VanDerWaalsContact C-N 3.32Å; L657-Q659 PolarHBondContact O-N 2.95Å; Q659-E662 WeakPolarHBondContact O-CB 3.32Å; Q659-E662 PolarHBondContact O-N 3.36Å; Q659-C663 PolarHBondContact O-N 2.97Å; Q659-C663 VanDerWaalsContact O-N 3.15Å; Q659-C663 PolarHBondContact O-SG 3.44Å; Q659-A910 PolarHBondContact NE2-O 3.49Å; Q659-I915 HydrophobicContact CB-CG2 3.95Å; Q659-I915 VanDerWaalsContact OE1-CB 3.28Å; Q659-I915 VanDerWaalsContact OE1-CG2 3.29Å; Q659-W968 HydrophobicContact CB-CZ3 4.46Å; Q659-W968 HydrophobicContact CG-CD2 3.92Å; Q659-W968 HydrophobicContact CG-CE3 3.63Å; Q659-W968 HydrophobicContact CG-CH2 3.82Å; Q659-W968 HydrophobicContact CG-CZ2 4.07Å; Q659-W968 HydrophobicContact CG-CZ3 3.6Å |
| 660 | V | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 172.3 | 163.6 | 0 | 0 | 0 | 0 | 110.1 | I656 E662 C663 E664 P805 F860 Y864 F916 | I656-V660 HydrophobicContact CG2-CG2 4Å; I656-V660 VanDerWaalsContact O-CB 3.27Å; I656-V660 WeakPolarHBondContact O-CB 3.44Å; I656-V660 VanDerWaalsContact O-CG2 3.28Å; I656-V660 WeakPolarHBondContact O-CG2 3.32Å; I656-V660 PolarHBondContact O-N 3.05Å; V660-E662 VanDerWaalsContact C-N 3.33Å; V660-E662 PolarHBondContact O-N 3.34Å; V660-C663 PolarHBondContact O-N 2.8Å; V660-C663 VanDerWaalsContact O-N 3.17Å; V660-E664 PolarHBondContact O-N 2.96Å; V660-E664 VanDerWaalsContact O-N 3.09Å; V660-P805 HydrophobicContact CG2-CB 3.72Å; V660-P805 HydrophobicContact CG2-CG 4.08Å; V660-F860 HydrophobicContact CG1-CB 4.17Å; V660-F860 HydrophobicContact CG1-CD1 3.86Å; V660-F860 HydrophobicContact CG1-CD2 4.26Å; V660-F860 HydrophobicContact CG1-CE1 4.25Å; V660-F860 HydrophobicContact CG1-CG 3.86Å; V660-Y864 HydrophobicContact CB-CE2 4.47Å; V660-Y864 HydrophobicContact CG1-CD2 4.39Å; V660-Y864 HydrophobicContact CG1-CE2 3.77Å; V660-Y864 HydrophobicContact CG2-CD2 4.38Å; V660-Y864 HydrophobicContact CG2-CE2 4.13Å; V660-F916 HydrophobicContact CG2-CZ 4.11Å |
| 661 | A | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -35.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L657 E664 N665 V668 R669 M672 | L657-A661 WeakPolarHBondContact O-CB 3.07Å; L657-A661 PolarHBondContact O-N 3.46Å; A661-E664 PolarHBondContact O-N 3.42Å; A661-N665 PolarHBondContact O-N 3.2Å; A661-N665 VanDerWaalsContact O-O 3.1Å; A661-V668 HydrophobicContact CB-CG1 4.08Å; A661-R669 HydrophobicContact CB-CB 4.05Å; A661-M672 HydrophobicContact CB-CB 4.42Å; A661-M672 HydrophobicContact CB-CE 4.08Å; A661-M672 HydrophobicContact CB-SD 3.72Å |
| 662 | E | 93 | Very high | 93.8 | Very high | 76 Ų | 76 | 37.6 Ų | 37.6 | 36% | 0.355 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 170.7 | 178.7 | 89.3 | 134.8 | 0 | 0 | 111.5 | D658 Q659 V660 E664 R669 W968 | D658-E662 PolarHBondContact O-N 3.31Å; D658-E662 VanDerWaalsContact O-N 3.14Å; Q659-E662 WeakPolarHBondContact O-CB 3.32Å; Q659-E662 PolarHBondContact O-N 3.36Å; V660-E662 VanDerWaalsContact C-N 3.33Å; V660-E662 PolarHBondContact O-N 3.34Å; E662-E664 VanDerWaalsContact C-N 3.3Å; E662-E664 PolarHBondContact O-N 2.94Å; E662-R669 IonicContact OE1-CZ 3.93Å; E662-R669 IonicContact OE1-NH1 3.48Å; E662-R669 PolarHBondContact OE1-NH1 3.22Å; E662-R669 WeakPolarHBondContact OE2-CD 3.4Å; E662-R669 IonicContact OE2-CZ 2.89Å; E662-R669 VanDerWaalsContact OE2-CZ 3.27Å; E662-R669 IonicContact OE2-NE 3.86Å; E662-R669 PolarHBondContact OE2-NE 3.35Å; E662-R669 IonicContact OE2-NH1 3.26Å; E662-R669 PolarHBondContact OE2-NH1 3Å; E662-W968 HydrophobicContact CB-CZ3 4.4Å; E662-W968 HydrophobicContact CG-CH2 4.44Å; E662-W968 HydrophobicContact CG-CZ3 4.44Å |
| 663 | C | 91.9 | Very high | 93.7 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 50% | 0.5 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.1 | -26.9 | -177.7 | -73.9 | 0 | 0 | 0 | 0 | 113.4 | Q659 V660 F916 | Q659-C663 PolarHBondContact O-N 2.97Å; Q659-C663 VanDerWaalsContact O-N 3.15Å; Q659-C663 PolarHBondContact O-SG 3.44Å; V660-C663 PolarHBondContact O-N 2.8Å; V660-C663 VanDerWaalsContact O-N 3.17Å; C663-F916 HydrophobicContact CB-CE2 4.15Å; C663-F916 HydrophobicContact CB-CZ 4.44Å; C663-F916 WeakPolarHBondContact SG-CE2 3.4Å |
| 664 | E | 90.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -76 | -63.4 | 175.8 | -173.6 | 176 | 150.9 | 0 | 0 | 111.9 | V660 A661 E662 V668 F860 T861 | V660-E664 PolarHBondContact O-N 2.96Å; V660-E664 VanDerWaalsContact O-N 3.09Å; A661-E664 PolarHBondContact O-N 3.42Å; E662-E664 VanDerWaalsContact C-N 3.3Å; E662-E664 PolarHBondContact O-N 2.94Å; E664-V668 HydrophobicContact CG-CG2 4.47Å; E664-F860 WeakPolarHBondContact OE2-CA 3.1Å; E664-F860 WeakPolarHBondContact OE2-CB 3.49Å; E664-T861 VanDerWaalsContact OE1-CB 3.29Å; E664-T861 WeakPolarHBondContact OE1-CB 3.39Å; E664-T861 WeakPolarHBondContact OE1-CG2 3.21Å; E664-T861 PolarHBondContact OE1-N 2.85Å; E664-T861 PolarHBondContact OE1-OG1 2.83Å; E664-T861 PolarHBondContact OE2-N 3.44Å; E664-T861 PolarHBondContact OE2-OG1 3.06Å |
| 665 | N | 88.6 | Confident | 93.3 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | trans | -167.2 | 138.1 | 179.2 | -178.6 | -25.3 | 0 | 0 | 0 | 111 | A661 L667 V668 R669 | A661-N665 PolarHBondContact O-N 3.2Å; A661-N665 VanDerWaalsContact O-O 3.1Å; N665-L667 PolarHBondContact O-N 2.9Å; N665-L667 PolarHBondContact OD1-N 3.46Å; N665-V668 HydrophobicContact CB-CG2 4.14Å; N665-V668 WeakPolarHBondContact O-CB 3.15Å; N665-V668 PolarHBondContact O-N 3.39Å; N665-R669 PolarHBondContact O-N 3.08Å; N665-R669 VanDerWaalsContact O-N 3.13Å | ||
| 666 | P | 89.2 | Confident | 93.3 | Very high | 96 Ų | 96 | 43 Ų | 43 | 62% | 0.623 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -45.5 | -35.7 | 172.5 | -31.5 | 34.4 | 0 | 0 | 0 | 116.4 | Q670 | P666-Q670 WeakPolarHBondContact O-CB 3.12Å; P666-Q670 PolarHBondContact O-N 3.42Å |
| 667 | L | 90 | Very high | 93.1 | Very high | 97 Ų | 97 | 44.6 Ų | 44.6 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.8 | -39.8 | 178.2 | -177.6 | 63.5 | 0 | 0 | 0 | 112.4 | N665 R669 Q670 N671 | N665-L667 PolarHBondContact O-N 2.9Å; N665-L667 PolarHBondContact OD1-N 3.46Å; L667-R669 VanDerWaalsContact C-N 3.34Å; L667-Q670 PolarHBondContact O-N 3.04Å; L667-N671 PolarHBondContact O-N 3.12Å; L667-N671 PolarHBondContact O-ND2 3.47Å |
| 668 | V | 91.4 | Very high | 93 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.5 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | A661 E664 N665 Q670 N671 M672 | A661-V668 HydrophobicContact CB-CG1 4.08Å; E664-V668 HydrophobicContact CG-CG2 4.47Å; N665-V668 HydrophobicContact CB-CG2 4.14Å; N665-V668 WeakPolarHBondContact O-CB 3.15Å; N665-V668 PolarHBondContact O-N 3.39Å; V668-Q670 PolarHBondContact O-N 3.07Å; V668-N671 PolarHBondContact O-N 3.19Å; V668-M672 WeakPolarHBondContact O-CB 3.05Å; V668-M672 PolarHBondContact O-N 3.26Å |
| 669 | R | 92.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 172.7 | -173.8 | -179.8 | -175.2 | -165.1 | 6.3 | 112.6 | D658 A661 E662 N665 L667 N671 M672 Q673 | D658-R669 IonicContact OD1-CZ 2.9Å; D658-R669 IonicContact OD1-NE 3.01Å; D658-R669 PolarHBondContact OD1-NE 3.21Å; D658-R669 IonicContact OD1-NH2 3.71Å; D658-R669 PolarHBondContact OD1-NH2 2.91Å; D658-R669 IonicContact OD2-NH2 3.75Å; A661-R669 HydrophobicContact CB-CB 4.05Å; E662-R669 IonicContact OE1-CZ 3.93Å; E662-R669 IonicContact OE1-NH1 3.48Å; E662-R669 PolarHBondContact OE1-NH1 3.22Å; E662-R669 WeakPolarHBondContact OE2-CD 3.4Å; E662-R669 IonicContact OE2-CZ 2.89Å; E662-R669 VanDerWaalsContact OE2-CZ 3.27Å; E662-R669 IonicContact OE2-NE 3.86Å; E662-R669 PolarHBondContact OE2-NE 3.35Å; E662-R669 IonicContact OE2-NH1 3.26Å; E662-R669 PolarHBondContact OE2-NH1 3Å; N665-R669 PolarHBondContact O-N 3.08Å; N665-R669 VanDerWaalsContact O-N 3.13Å; L667-R669 VanDerWaalsContact C-N 3.34Å; R669-N671 VanDerWaalsContact C-N 3.34Å; R669-N671 PolarHBondContact O-N 3.33Å; R669-M672 PolarHBondContact O-N 3.36Å; R669-Q673 HydrophobicContact CG-CG 4.16Å; R669-Q673 WeakPolarHBondContact O-CB 3.16Å; R669-Q673 VanDerWaalsContact O-CG 3.31Å; R669-Q673 WeakPolarHBondContact O-CG 3.37Å; R669-Q673 PolarHBondContact O-N 2.92Å |
| 670 | Q | 90.9 | Very high | 93.1 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 49% | 0.486 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -44.8 | -179.5 | -174.5 | 179.5 | 7.7 | 0 | 0 | 111.6 | P666 L667 V668 R674 | P666-Q670 WeakPolarHBondContact O-CB 3.12Å; P666-Q670 PolarHBondContact O-N 3.42Å; L667-Q670 PolarHBondContact O-N 3.04Å; V668-Q670 PolarHBondContact O-N 3.07Å; Q670-R674 VanDerWaalsContact O-CB 3.29Å; Q670-R674 WeakPolarHBondContact O-CB 3.31Å; Q670-R674 PolarHBondContact O-N 3.43Å |
| 671 | N | 91.7 | Very high | 93 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -45 | 177.7 | -73.9 | -22.7 | 0 | 0 | 0 | 112 | L667 V668 R669 R674 R675 | L667-N671 PolarHBondContact O-N 3.12Å; L667-N671 PolarHBondContact O-ND2 3.47Å; V668-N671 PolarHBondContact O-N 3.19Å; R669-N671 VanDerWaalsContact C-N 3.34Å; R669-N671 PolarHBondContact O-N 3.33Å; N671-R674 WeakPolarHBondContact O-CB 3.48Å; N671-R674 PolarHBondContact O-N 3.01Å; N671-R675 WeakPolarHBondContact O-CB 3.03Å; N671-R675 PolarHBondContact O-N 3.25Å |
| 672 | M | 93.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 179.6 | -170.2 | 173.1 | -71.4 | 0 | 0 | 112.1 | L657 A661 V668 R669 R675 I676 L858 | L657-M672 VanDerWaalsContact C-SD 3.6Å; L657-M672 HydrophobicContact CB-SD 3.58Å; L657-M672 VanDerWaalsContact CB-SD 3.58Å; L657-M672 HydrophobicContact CD2-CE 4.44Å; L657-M672 HydrophobicContact CD2-SD 4.2Å; L657-M672 HydrophobicContact CG-SD 4.35Å; A661-M672 HydrophobicContact CB-CB 4.42Å; A661-M672 HydrophobicContact CB-CE 4.08Å; A661-M672 HydrophobicContact CB-SD 3.72Å; V668-M672 WeakPolarHBondContact O-CB 3.05Å; V668-M672 PolarHBondContact O-N 3.26Å; R669-M672 PolarHBondContact O-N 3.36Å; M672-R675 PolarHBondContact O-N 3.35Å; M672-I676 HydrophobicContact CG-CD1 3.91Å; M672-I676 WeakPolarHBondContact O-CB 3.35Å; M672-I676 VanDerWaalsContact O-CG1 3.3Å; M672-I676 WeakPolarHBondContact O-CG1 3.39Å; M672-I676 PolarHBondContact O-N 3.25Å; M672-L858 HydrophobicContact CG-CD2 4.46Å |
| 673 | Q | 93.8 | Very high | 93 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174 | -74.5 | -175 | -16.3 | 0 | 0 | 111.7 | D658 R669 N677 L969 | D658-Q673 PolarHBondContact OD1-NE2 2.83Å; R669-Q673 HydrophobicContact CG-CG 4.16Å; R669-Q673 WeakPolarHBondContact O-CB 3.16Å; R669-Q673 VanDerWaalsContact O-CG 3.31Å; R669-Q673 WeakPolarHBondContact O-CG 3.37Å; R669-Q673 PolarHBondContact O-N 2.92Å; Q673-N677 WeakPolarHBondContact O-CB 3.4Å; Q673-N677 PolarHBondContact O-N 2.98Å; Q673-N677 PolarHBondContact O-ND2 2.96Å; Q673-L969 HydrophobicContact CG-CD1 4.36Å; Q673-L969 HydrophobicContact CG-CD2 4.24Å |
| 674 | R | 93 | Very high | 93.2 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 35% | 0.347 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56 | -52.5 | 175.3 | 177.5 | -175 | 62 | 84.1 | 2.7 | 110 | Q670 N671 I676 N677 E678 D857 | Q670-R674 VanDerWaalsContact O-CB 3.29Å; Q670-R674 WeakPolarHBondContact O-CB 3.31Å; Q670-R674 PolarHBondContact O-N 3.43Å; N671-R674 WeakPolarHBondContact O-CB 3.48Å; N671-R674 PolarHBondContact O-N 3.01Å; R674-I676 PolarHBondContact O-N 3.22Å; R674-N677 PolarHBondContact O-N 3.4Å; R674-E678 WeakPolarHBondContact CG-OE1 3.43Å; R674-E678 IonicContact CZ-OE1 3.41Å; R674-E678 IonicContact NH1-OE1 3Å; R674-E678 PolarHBondContact NH1-OE1 3.31Å; R674-E678 IonicContact NH1-OE2 3.87Å; R674-E678 WeakPolarHBondContact O-CG 3.49Å; R674-E678 PolarHBondContact O-N 2.98Å; R674-D857 IonicContact CZ-OD2 3.74Å; R674-D857 IonicContact NH1-OD2 2.6Å; R674-D857 IonicContact NH2-OD2 2.87Å; R674-D857 PolarHBondContact NH2-OD2 3.02Å |
| 675 | R | 95.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | -177.5 | -175.4 | 63.9 | -177.9 | 144.9 | 2.9 | 113.3 | N671 M672 N677 E678 L679 L754 D855 D857 L858 | N671-R675 WeakPolarHBondContact O-CB 3.03Å; N671-R675 PolarHBondContact O-N 3.25Å; M672-R675 PolarHBondContact O-N 3.35Å; R675-N677 VanDerWaalsContact C-N 3.31Å; R675-N677 PolarHBondContact O-N 3.44Å; R675-E678 IonicContact NH1-OE2 3.69Å; R675-E678 PolarHBondContact NH1-OE2 3.34Å; R675-E678 WeakPolarHBondContact O-CB 3.24Å; R675-E678 PolarHBondContact O-N 3.36Å; R675-L679 WeakPolarHBondContact O-CG 3.1Å; R675-L679 PolarHBondContact O-N 3.3Å; R675-L754 VanDerWaalsContact NH2-CD1 3.25Å; R675-D855 IonicContact CZ-OD2 3.27Å; R675-D855 VanDerWaalsContact CZ-OD2 3.27Å; R675-D855 IonicContact NE-OD1 2.9Å; R675-D855 IonicContact NE-OD2 2.75Å; R675-D855 PolarHBondContact NE-OD2 3.23Å; R675-D855 IonicContact NH2-OD2 2.84Å; R675-D855 PolarHBondContact NH2-OD2 3.04Å; R675-D857 HydrophobicContact CB-CB 3.77Å; R675-D857 HydrophobicContact CG-CB 3.55Å; R675-L858 HydrophobicContact CB-CD2 4.15Å; R675-L858 HydrophobicContact CG-CD2 3.75Å; R675-L858 HydrophobicContact CG-CG 4.08Å |
| 676 | I | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -37.1 | 178.8 | -66.8 | 172.2 | 0 | 0 | 0 | 111.1 | L649 L657 M672 R674 L679 L680 L858 L969 M973 | L649-I676 HydrophobicContact CD1-CD1 4.37Å; L649-I676 HydrophobicContact CD1-CG1 3.89Å; L649-I676 HydrophobicContact CD1-CG2 4.23Å; L657-I676 HydrophobicContact CD1-CD1 4.22Å; M672-I676 HydrophobicContact CG-CD1 3.91Å; M672-I676 WeakPolarHBondContact O-CB 3.35Å; M672-I676 VanDerWaalsContact O-CG1 3.3Å; M672-I676 WeakPolarHBondContact O-CG1 3.39Å; M672-I676 PolarHBondContact O-N 3.25Å; R674-I676 PolarHBondContact O-N 3.22Å; I676-L679 PolarHBondContact O-N 2.94Å; I676-L680 PolarHBondContact O-N 3.1Å; I676-L680 VanDerWaalsContact O-N 3.1Å; I676-L858 HydrophobicContact CD1-CD2 4.23Å; I676-L858 HydrophobicContact CG1-CD2 3.61Å; I676-L969 HydrophobicContact CB-CD2 3.92Å; I676-L969 HydrophobicContact CD1-CD2 3.75Å; I676-L969 HydrophobicContact CG1-CD2 4.43Å; I676-L969 HydrophobicContact CG2-CD2 3.76Å; I676-M973 HydrophobicContact CG2-CE 3.49Å; I676-M973 VanDerWaalsContact CG2-CE 3.49Å; I676-M973 HydrophobicContact CG2-SD 3.78Å |
| 677 | N | 94.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 37.5 Ų | 37.5 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 173.5 | -80.5 | -62.1 | 0 | 0 | 0 | 112.4 | Q673 R674 R675 L680 N681 | Q673-N677 WeakPolarHBondContact O-CB 3.4Å; Q673-N677 PolarHBondContact O-N 2.98Å; Q673-N677 PolarHBondContact O-ND2 2.96Å; R674-N677 PolarHBondContact O-N 3.4Å; R675-N677 VanDerWaalsContact C-N 3.31Å; R675-N677 PolarHBondContact O-N 3.44Å; N677-L680 PolarHBondContact O-N 2.84Å; N677-N681 VanDerWaalsContact O-CB 3.31Å; N677-N681 WeakPolarHBondContact O-CB 3.46Å; N677-N681 VanDerWaalsContact O-CG 3.28Å; N677-N681 PolarHBondContact O-N 3.13Å; N677-N681 PolarHBondContact O-ND2 3.49Å |
| 678 | E | 94.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 32.9 Ų | 32.9 | 28% | 0.28 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -57.6 | -49.5 | 172 | -73.3 | 168.3 | -176 | 0 | 0 | 110.7 | R674 R675 L680 N681 E682 | R674-E678 WeakPolarHBondContact CG-OE1 3.43Å; R674-E678 IonicContact CZ-OE1 3.41Å; R674-E678 IonicContact NH1-OE1 3Å; R674-E678 PolarHBondContact NH1-OE1 3.31Å; R674-E678 IonicContact NH1-OE2 3.87Å; R674-E678 WeakPolarHBondContact O-CG 3.49Å; R674-E678 PolarHBondContact O-N 2.98Å; R675-E678 IonicContact NH1-OE2 3.69Å; R675-E678 PolarHBondContact NH1-OE2 3.34Å; R675-E678 WeakPolarHBondContact O-CB 3.24Å; R675-E678 PolarHBondContact O-N 3.36Å; E678-L680 VanDerWaalsContact C-N 3.35Å; E678-L680 PolarHBondContact O-N 3.19Å; E678-N681 PolarHBondContact O-N 2.96Å; E678-N681 VanDerWaalsContact O-N 3.13Å; E678-E682 WeakPolarHBondContact O-CB 3.26Å; E678-E682 WeakPolarHBondContact O-CG 3.38Å; E678-E682 PolarHBondContact O-N 2.86Å |
| 679 | L | 96.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 178.7 | -68.4 | 172.8 | 0 | 0 | 0 | 113.1 | L649 R675 I676 Q683 I748 V750 P751 L858 | L649-L679 HydrophobicContact CD1-CD1 4.17Å; R675-L679 WeakPolarHBondContact O-CG 3.1Å; R675-L679 PolarHBondContact O-N 3.3Å; I676-L679 PolarHBondContact O-N 2.94Å; L679-Q683 PolarHBondContact O-N 2.94Å; L679-Q683 PolarHBondContact O-NE2 2.81Å; L679-Q683 VanDerWaalsContact O-NE2 3.16Å; L679-I748 HydrophobicContact CB-CG2 3.87Å; L679-V750 HydrophobicContact CD1-CG2 4.21Å; L679-P751 HydrophobicContact CD2-CG 4.06Å; L679-L858 HydrophobicContact CD1-CD1 4.25Å |
| 680 | L | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 174.4 | 175 | 61.6 | 0 | 0 | 0 | 111.3 | I676 N677 E678 Q683 L684 L743 I748 M973 V977 | I676-L680 PolarHBondContact O-N 3.1Å; I676-L680 VanDerWaalsContact O-N 3.1Å; N677-L680 PolarHBondContact O-N 2.84Å; E678-L680 VanDerWaalsContact C-N 3.35Å; E678-L680 PolarHBondContact O-N 3.19Å; L680-Q683 PolarHBondContact O-N 2.97Å; L680-L684 HydrophobicContact CD1-CD1 3.93Å; L680-L684 HydrophobicContact CD1-CG 4.14Å; L680-L684 HydrophobicContact CD2-CD1 4.4Å; L680-L684 HydrophobicContact CG-CD1 3.87Å; L680-L684 HydrophobicContact CG-CG 4.46Å; L680-L684 WeakPolarHBondContact O-CG 3.32Å; L680-L684 PolarHBondContact O-N 3.16Å; L680-L743 HydrophobicContact CD1-CD2 4.16Å; L680-I748 HydrophobicContact CB-CD1 4.14Å; L680-I748 HydrophobicContact CD1-CD1 4.23Å; L680-I748 HydrophobicContact CD1-CG1 4.26Å; L680-M973 HydrophobicContact CB-CE 3.68Å; L680-M973 HydrophobicContact CD2-CB 3.93Å; L680-M973 HydrophobicContact CD2-CE 3.59Å; L680-M973 HydrophobicContact CD2-CG 4.11Å; L680-M973 HydrophobicContact CG-CE 4.16Å; L680-V977 HydrophobicContact CD1-CG2 3.83Å; L680-V977 HydrophobicContact CD2-CG2 4.16Å |
| 681 | N | 93.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | -178.8 | -78.4 | -34 | 0 | 0 | 0 | 111.5 | N677 E678 Q683 L684 Y685 R976 T1266 | N677-N681 VanDerWaalsContact O-CB 3.31Å; N677-N681 WeakPolarHBondContact O-CB 3.46Å; N677-N681 VanDerWaalsContact O-CG 3.28Å; N677-N681 PolarHBondContact O-N 3.13Å; N677-N681 PolarHBondContact O-ND2 3.49Å; E678-N681 PolarHBondContact O-N 2.96Å; E678-N681 VanDerWaalsContact O-N 3.13Å; N681-Q683 PolarHBondContact O-N 3.46Å; N681-L684 PolarHBondContact O-N 2.93Å; N681-Y685 HydrophobicContact CB-CD2 4.15Å; N681-Y685 HydrophobicContact CB-CE2 4.38Å; N681-Y685 VanDerWaalsContact O-CB 3.32Å; N681-Y685 WeakPolarHBondContact O-CB 3.39Å; N681-Y685 VanDerWaalsContact O-CD2 3.24Å; N681-Y685 WeakPolarHBondContact O-CD2 3.43Å; N681-Y685 PolarHBondContact O-N 3.47Å; N681-R976 PolarHBondContact OD1-NE 2.94Å; N681-R976 PolarHBondContact OD1-NH2 2.8Å; N681-T1266 HydrophobicContact CB-CG2 4.34Å |
| 682 | E | 93.2 | Very high | 94.3 | Very high | 103 Ų | 103 | 22.2 Ų | 22.2 | 48% | 0.481 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -55.3 | -41.3 | 175.4 | -78.6 | 178.7 | -175 | 0 | 0 | 111.6 | E678 G686 | E678-E682 WeakPolarHBondContact O-CB 3.26Å; E678-E682 WeakPolarHBondContact O-CG 3.38Å; E678-E682 PolarHBondContact O-N 2.86Å; E682-G686 WeakPolarHBondContact O-CA 3.27Å; E682-G686 PolarHBondContact O-N 3.17Å |
| 683 | Q | 94.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 23.7 Ų | 23.7 | 17% | 0.168 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -72.4 | -48 | 177.3 | -75.5 | 172 | 75.8 | 0 | 0 | 112.6 | L679 L680 N681 Y685 G686 L687 D749 | L679-Q683 PolarHBondContact O-N 2.94Å; L679-Q683 PolarHBondContact O-NE2 2.81Å; L679-Q683 VanDerWaalsContact O-NE2 3.16Å; L680-Q683 PolarHBondContact O-N 2.97Å; N681-Q683 PolarHBondContact O-N 3.46Å; Q683-Y685 PolarHBondContact O-N 3.23Å; Q683-G686 PolarHBondContact O-N 3.05Å; Q683-L687 VanDerWaalsContact O-CG 3.27Å; Q683-L687 WeakPolarHBondContact O-CG 3.28Å; Q683-L687 PolarHBondContact O-N 2.8Å; Q683-D749 PolarHBondContact NE2-O 2.95Å; Q683-D749 VanDerWaalsContact OE1-N 3.15Å |
| 684 | L | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60 | -49.5 | 178.9 | -73.8 | 172.3 | 0 | 0 | 0 | 111.5 | L680 N681 L687 S688 V739 L743 V980 F1291 H1295 | L680-L684 HydrophobicContact CD1-CD1 3.93Å; L680-L684 HydrophobicContact CD1-CG 4.14Å; L680-L684 HydrophobicContact CD2-CD1 4.4Å; L680-L684 HydrophobicContact CG-CD1 3.87Å; L680-L684 HydrophobicContact CG-CG 4.46Å; L680-L684 WeakPolarHBondContact O-CG 3.32Å; L680-L684 PolarHBondContact O-N 3.16Å; N681-L684 PolarHBondContact O-N 2.93Å; L684-L687 PolarHBondContact O-N 2.58Å; L684-S688 PolarHBondContact O-N 3.44Å; L684-S688 VanDerWaalsContact O-N 3.16Å; L684-S688 PolarHBondContact O-OG 3.42Å; L684-V739 HydrophobicContact CD2-CG2 4.36Å; L684-L743 HydrophobicContact CD2-CD1 3.63Å; L684-L743 HydrophobicContact CG-CD1 4.13Å; L684-V980 HydrophobicContact CD2-CG2 4.2Å; L684-F1291 HydrophobicContact CD1-CE2 4.14Å; L684-F1291 HydrophobicContact CD1-CZ 3.94Å; L684-H1295 PolarHBondContact O-CE1 3.16Å |
| 685 | Y | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.3 | -37.2 | 175.7 | -76.6 | -68.9 | 0 | 0 | 0 | 111.6 | N681 Q683 L687 S688 D689 K1262 G1265 T1266 F1291 Y1294 | N681-Y685 HydrophobicContact CB-CD2 4.15Å; N681-Y685 HydrophobicContact CB-CE2 4.38Å; N681-Y685 VanDerWaalsContact O-CB 3.32Å; N681-Y685 WeakPolarHBondContact O-CB 3.39Å; N681-Y685 VanDerWaalsContact O-CD2 3.24Å; N681-Y685 WeakPolarHBondContact O-CD2 3.43Å; N681-Y685 PolarHBondContact O-N 3.47Å; Q683-Y685 PolarHBondContact O-N 3.23Å; Y685-L687 VanDerWaalsContact C-N 3.32Å; Y685-L687 PolarHBondContact O-N 3.24Å; Y685-S688 CarbonylContact O-C 3.56Å; Y685-S688 PolarHBondContact O-N 2.97Å; Y685-S688 VanDerWaalsContact O-N 3.08Å; Y685-D689 VanDerWaalsContact O-CB 3.28Å; Y685-D689 WeakPolarHBondContact O-CB 3.09Å; Y685-D689 PolarHBondContact O-N 3.14Å; Y685-K1262 HydrophobicContact CD1-CB 4.29Å; Y685-K1262 HydrophobicContact CD1-CD 3.89Å; Y685-K1262 HydrophobicContact CD1-CG 3.69Å; Y685-K1262 HydrophobicContact CD2-CG 4.25Å; Y685-K1262 HydrophobicContact CE1-CB 4.01Å; Y685-K1262 HydrophobicContact CE1-CD 4.42Å; Y685-K1262 HydrophobicContact CE1-CG 3.74Å; Y685-K1262 HydrophobicContact CE2-CG 4.31Å; Y685-K1262 HydrophobicContact CG-CD 4.03Å; Y685-K1262 HydrophobicContact CG-CG 3.96Å; Y685-G1265 VanDerWaalsContact OH-CA 3.31Å; Y685-G1265 WeakPolarHBondContact OH-CA 3.43Å; Y685-T1266 HydrophobicContact CD2-CG2 3.97Å; Y685-T1266 HydrophobicContact CE2-CG2 3.5Å; Y685-F1291 HydrophobicContact CE2-CD2 4.25Å; Y685-F1291 HydrophobicContact CE2-CE2 4.49Å; Y685-F1291 AromaticContact CZ-CD2 3.97Å; Y685-Y1294 AromaticContact CD1-CD1 3.57Å; Y685-Y1294 HydrophobicContact CD1-CD1 3.57Å; Y685-Y1294 AromaticContact CD1-CE1 3.48Å; Y685-Y1294 HydrophobicContact CD1-CE1 3.48Å; Y685-Y1294 VanDerWaalsContact CD1-CE1 3.48Å; Y685-Y1294 HydrophobicContact CD1-CG 4.22Å; Y685-Y1294 AromaticContact CE1-CD1 3.49Å; Y685-Y1294 HydrophobicContact CE1-CD1 3.49Å; Y685-Y1294 VanDerWaalsContact CE1-CD1 3.49Å; Y685-Y1294 HydrophobicContact CE1-CD2 4.24Å; Y685-Y1294 AromaticContact CE1-CE1 3.86Å; Y685-Y1294 HydrophobicContact CE1-CE1 3.86Å; Y685-Y1294 AromaticContact CE1-CG 3.71Å; Y685-Y1294 HydrophobicContact CE1-CG 3.71Å |
| 686 | G | 93.7 | Very high | 93.7 | Very high | 17 Ų | 17 | 20.2 Ų | 20.2 | 18% | 0.175 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E682 Q683 S688 D689 M690 | E682-G686 WeakPolarHBondContact O-CA 3.27Å; E682-G686 PolarHBondContact O-N 3.17Å; Q683-G686 PolarHBondContact O-N 3.05Å; G686-S688 VanDerWaalsContact C-N 3.33Å; G686-S688 PolarHBondContact O-N 3.36Å; G686-D689 PolarHBondContact O-N 3.45Å; G686-M690 WeakPolarHBondContact O-CB 3.17Å; G686-M690 PolarHBondContact O-N 3.27Å |
| 687 | L | 94.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 20.2 Ų | 20.2 | 7% | 0.073 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.5 | -35.6 | 174.1 | -68.4 | 172.4 | 0 | 0 | 0 | 112.4 | Q683 L684 Y685 M690 Y735 K738 V739 L743 | Q683-L687 VanDerWaalsContact O-CG 3.27Å; Q683-L687 WeakPolarHBondContact O-CG 3.28Å; Q683-L687 PolarHBondContact O-N 2.8Å; L684-L687 PolarHBondContact O-N 2.58Å; Y685-L687 VanDerWaalsContact C-N 3.32Å; Y685-L687 PolarHBondContact O-N 3.24Å; L687-M690 HydrophobicContact CD2-CE 4.18Å; L687-M690 WeakPolarHBondContact O-CB 3.27Å; L687-Y735 HydrophobicContact CB-CD2 3.53Å; L687-Y735 HydrophobicContact CB-CE2 3.66Å; L687-Y735 HydrophobicContact CB-CG 4.33Å; L687-Y735 WeakPolarHBondContact O-CD2 3.49Å; L687-K738 HydrophobicContact CD1-CB 4.01Å; L687-K738 HydrophobicContact CD2-CB 4.5Å; L687-K738 HydrophobicContact CD2-CD 3.77Å; L687-V739 HydrophobicContact CD1-CG2 3.96Å; L687-L743 HydrophobicContact CD1-CD1 4.28Å |
| 688 | S | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -74.8 | -40.6 | 177.7 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | L684 Y685 G686 M690 L691 L692 Y735 H1295 | L684-S688 PolarHBondContact O-N 3.44Å; L684-S688 VanDerWaalsContact O-N 3.16Å; L684-S688 PolarHBondContact O-OG 3.42Å; Y685-S688 CarbonylContact O-C 3.56Å; Y685-S688 PolarHBondContact O-N 2.97Å; Y685-S688 VanDerWaalsContact O-N 3.08Å; G686-S688 VanDerWaalsContact C-N 3.33Å; G686-S688 PolarHBondContact O-N 3.36Å; S688-M690 PolarHBondContact O-N 2.88Å; S688-L691 WeakPolarHBondContact O-CA 3.37Å; S688-L691 WeakPolarHBondContact O-CB 3.32Å; S688-L691 PolarHBondContact O-N 2.61Å; S688-L692 WeakPolarHBondContact O-CG 3.38Å; S688-L692 PolarHBondContact O-N 2.9Å; S688-L692 VanDerWaalsContact O-N 3.14Å; S688-Y735 PolarHBondContact OG-OH 3.44Å; S688-H1295 PolarHBondContact OG-CE1 2.72Å; S688-H1295 PolarHBondContact OG-ND1 2.65Å |
| 689 | D | 94.3 | Very high | 92.9 | Very high | 14 Ų | 14 | 22.5 Ų | 22.5 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.2 | -34.5 | 176.1 | -67.5 | -4.4 | 0 | 0 | 0 | 110.4 | Y685 G686 L691 L692 L693 C696 K1262 Y1294 | Y685-D689 VanDerWaalsContact O-CB 3.28Å; Y685-D689 WeakPolarHBondContact O-CB 3.09Å; Y685-D689 PolarHBondContact O-N 3.14Å; G686-D689 PolarHBondContact O-N 3.45Å; D689-L691 PolarHBondContact O-N 3.47Å; D689-L692 PolarHBondContact O-N 2.86Å; D689-L693 HydrophobicContact CB-CD1 4.23Å; D689-L693 WeakPolarHBondContact O-CA 2.73Å; D689-L693 WeakPolarHBondContact O-CB 3.38Å; D689-L693 PolarHBondContact O-N 3.17Å; D689-C696 HydrophobicContact CB-CB 4.15Å; D689-C696 WeakPolarHBondContact O-CB 3.3Å; D689-K1262 IonicContact OD1-NZ 3.4Å; D689-K1262 IonicContact OD2-NZ 3.24Å; D689-K1262 PolarHBondContact OD2-NZ 3.11Å; D689-Y1294 PolarHBondContact OD1-OH 3.49Å |
| 690 | M | 93.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -33.6 | 170.8 | 176.4 | 179.3 | 70.7 | 0 | 0 | 112.5 | G686 L687 S688 E700 M731 I734 | G686-M690 WeakPolarHBondContact O-CB 3.17Å; G686-M690 PolarHBondContact O-N 3.27Å; L687-M690 HydrophobicContact CD2-CE 4.18Å; L687-M690 WeakPolarHBondContact O-CB 3.27Å; S688-M690 PolarHBondContact O-N 2.88Å; M690-E700 HydrophobicContact CB-CB 4.42Å; M690-E700 HydrophobicContact CB-CG 4.4Å; M690-E700 HydrophobicContact CG-CB 4.18Å; M690-E700 HydrophobicContact SD-CB 3.73Å; M690-M731 HydrophobicContact CE-CB 3.91Å; M690-M731 HydrophobicContact CE-CG 4.19Å; M690-M731 HydrophobicContact CG-CB 4.44Å; M690-M731 HydrophobicContact CG-CG 3.98Å; M690-M731 HydrophobicContact CG-SD 3.48Å; M690-M731 WeakPolarHBondContact CG-SD 3.39Å; M690-M731 VanDerWaalsContact O-SD 3.41Å; M690-M731 HydrophobicContact SD-CB 4.36Å; M690-M731 HydrophobicContact SD-CG 3.96Å; M690-M731 HydrophobicContact SD-SD 4.24Å; M690-I734 HydrophobicContact CE-CB 4.35Å; M690-I734 HydrophobicContact CE-CG2 4.18Å |
| 691 | L | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -83.4 | -20.4 | 177.5 | -60.7 | 173.9 | 0 | 0 | 0 | 113.6 | S688 D689 R728 M731 L732 Y735 A1298 L1299 | S688-L691 WeakPolarHBondContact O-CA 3.37Å; S688-L691 WeakPolarHBondContact O-CB 3.32Å; S688-L691 PolarHBondContact O-N 2.61Å; D689-L691 PolarHBondContact O-N 3.47Å; L691-R728 PolarHBondContact O-NH1 2.84Å; L691-M731 HydrophobicContact CD2-CB 3.74Å; L691-L732 HydrophobicContact CD1-CD2 3.96Å; L691-L732 HydrophobicContact CD2-CD2 3.99Å; L691-L732 HydrophobicContact CD2-CG 4.22Å; L691-Y735 HydrophobicContact CD1-CD2 3.66Å; L691-Y735 HydrophobicContact CD1-CE2 4.06Å; L691-Y735 HydrophobicContact CD1-CG 4.36Å; L691-Y735 HydrophobicContact CG-CD2 4.39Å; L691-A1298 HydrophobicContact CB-CB 4.49Å; L691-L1299 HydrophobicContact CD1-CD2 3.88Å; L691-L1299 HydrophobicContact CD1-CG 4.37Å |
| 692 | L | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -103.3 | -27.8 | -174.8 | -69.5 | 171.2 | 0 | 0 | 0 | 113.8 | S688 D689 N1149 V1151 M1258 Y1294 A1298 | S688-L692 WeakPolarHBondContact O-CG 3.38Å; S688-L692 PolarHBondContact O-N 2.9Å; S688-L692 VanDerWaalsContact O-N 3.14Å; D689-L692 PolarHBondContact O-N 2.86Å; L692-N1149 VanDerWaalsContact O-CG 3.26Å; L692-N1149 PolarHBondContact O-ND2 3.44Å; L692-N1149 PolarHBondContact O-OD1 3.06Å; L692-V1151 HydrophobicContact CD2-CG1 3.73Å; L692-M1258 HydrophobicContact CD1-CE 3.38Å; L692-M1258 HydrophobicContact CD2-CE 4.2Å; L692-M1258 HydrophobicContact CG-CE 4.44Å; L692-Y1294 HydrophobicContact CD1-CE1 3.82Å; L692-Y1294 HydrophobicContact CD1-CE2 4.43Å; L692-A1298 HydrophobicContact CD1-CB 3.84Å; L692-A1298 HydrophobicContact CD2-CB 4.15Å; L692-A1298 HydrophobicContact CG-CB 3.77Å |
| 693 | L | 91.5 | Very high | 91.4 | Very high | 34 Ų | 34 | 27.2 Ų | 27.2 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | trans | -128.3 | 120.1 | -168.3 | -53.2 | 178.2 | 0 | 0 | 0 | 111.4 | D689 S695 C696 A697 N1149 M1152 | D689-L693 HydrophobicContact CB-CD1 4.23Å; D689-L693 WeakPolarHBondContact O-CA 2.73Å; D689-L693 WeakPolarHBondContact O-CB 3.38Å; D689-L693 PolarHBondContact O-N 3.17Å; L693-S695 PolarHBondContact O-N 3.46Å; L693-C696 HydrophobicContact CB-CB 4.07Å; L693-C696 PolarHBondContact O-N 2.94Å; L693-A697 PolarHBondContact O-N 3.03Å; L693-N1149 WeakPolarHBondContact CA-ND2 3.45Å; L693-N1149 WeakPolarHBondContact CD2-ND2 3.5Å; L693-M1152 HydrophobicContact CD2-CE 3.49Å; L693-M1152 VanDerWaalsContact CD2-CE 3.49Å; L693-M1152 HydrophobicContact CD2-CG 4Å | ||
| 694 | E | 90.6 | Very high | 90.9 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.3 | -35.7 | 176.8 | -73 | -62.1 | 153.4 | 0 | 0 | 113.3 | C696 A697 S698 R720 M721 T722 | E694-C696 VanDerWaalsContact C-N 3.32Å; E694-C696 PolarHBondContact O-N 3.39Å; E694-A697 PolarHBondContact O-N 2.97Å; E694-S698 WeakPolarHBondContact O-CB 3.42Å; E694-S698 PolarHBondContact O-N 3.45Å; E694-S698 PolarHBondContact O-OG 3.09Å; E694-R720 WeakPolarHBondContact OE1-CA 3.37Å; E694-R720 WeakPolarHBondContact OE1-CB 3.49Å; E694-M721 PolarHBondContact OE1-N 2.84Å; E694-M721 VanDerWaalsContact OE1-N 3.13Å; E694-M721 PolarHBondContact OE2-N 3.28Å; E694-T722 HydrophobicContact CG-CG2 4.44Å; E694-T722 VanDerWaalsContact OE1-CB 3.27Å; E694-T722 WeakPolarHBondContact OE1-CB 3.27Å; E694-T722 WeakPolarHBondContact OE1-CG2 3.28Å; E694-T722 PolarHBondContact OE1-N 3.45Å; E694-T722 PolarHBondContact OE1-OG1 2.82Å |
| 695 | S | 89 | Confident | 90.5 | Very high | 81 Ų | 81 | 26.4 Ų | 26.4 | 57% | 0.566 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -65 | -35.9 | 176 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | L693 R699 | L693-S695 PolarHBondContact O-N 3.46Å; S695-R699 WeakPolarHBondContact O-CB 3.41Å; S695-R699 PolarHBondContact O-N 2.93Å |
| 696 | C | 91.7 | Very high | 89.7 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 5% | 0.054 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -77 | -42.7 | 175.8 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | D689 L693 E694 S698 R699 E700 | D689-C696 HydrophobicContact CB-CB 4.15Å; D689-C696 WeakPolarHBondContact O-CB 3.3Å; L693-C696 HydrophobicContact CB-CB 4.07Å; L693-C696 PolarHBondContact O-N 2.94Å; E694-C696 VanDerWaalsContact C-N 3.32Å; E694-C696 PolarHBondContact O-N 3.39Å; C696-S698 VanDerWaalsContact C-N 3.34Å; C696-S698 PolarHBondContact O-N 3.42Å; C696-R699 PolarHBondContact O-N 2.79Å; C696-R699 PolarHBondContact SG-NH2 3Å; C696-R699 VanDerWaalsContact SG-NH2 3.4Å; C696-E700 WeakPolarHBondContact O-CB 3.44Å; C696-E700 WeakPolarHBondContact O-CG 3.48Å; C696-E700 PolarHBondContact O-N 2.81Å |
| 697 | A | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.2 | -50.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L693 E694 R699 E700 L701 M721 T722 M731 | L693-A697 PolarHBondContact O-N 3.03Å; E694-A697 PolarHBondContact O-N 2.97Å; A697-R699 PolarHBondContact O-N 2.96Å; A697-E700 PolarHBondContact O-N 3.21Å; A697-L701 VanDerWaalsContact O-CB 3.31Å; A697-L701 WeakPolarHBondContact O-CB 3.4Å; A697-L701 WeakPolarHBondContact O-CG 3.27Å; A697-L701 PolarHBondContact O-N 2.73Å; A697-L701 VanDerWaalsContact O-N 3.08Å; A697-M721 HydrophobicContact CB-CB 3.73Å; A697-M721 HydrophobicContact CB-CG 4.28Å; A697-T722 HydrophobicContact CB-CG2 4.43Å; A697-M731 HydrophobicContact CB-CE 4.39Å; A697-M731 HydrophobicContact CB-SD 3.67Å |
| 698 | S | 89.3 | Confident | 88.7 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 12% | 0.119 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -21.6 | -180 | -52 | 0 | 0 | 0 | 0 | 113.2 | E694 C696 P702 S715 | E694-S698 WeakPolarHBondContact O-CB 3.42Å; E694-S698 PolarHBondContact O-N 3.45Å; E694-S698 PolarHBondContact O-OG 3.09Å; C696-S698 VanDerWaalsContact C-N 3.34Å; C696-S698 PolarHBondContact O-N 3.42Å; S698-P702 VanDerWaalsContact O-CD 3.26Å; S698-P702 WeakPolarHBondContact O-CD 3.34Å; S698-P702 VanDerWaalsContact O-CG 3.29Å; S698-P702 WeakPolarHBondContact O-CG 3.42Å; S698-S715 VanDerWaalsContact OG-CB 3.27Å; S698-S715 WeakPolarHBondContact OG-CB 3.04Å; S698-S715 PolarHBondContact OG-OG 3.27Å; S698-S715 VanDerWaalsContact OG-OG 3.05Å |
| 699 | R | 87.1 | Confident | 88.4 | Confident | 124 Ų | 124 | 36.2 Ų | 36.2 | 47% | 0.468 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -93.8 | -37.4 | 179.9 | -174.3 | -174.3 | 66.7 | -132 | -6.2 | 113.1 | S695 C696 A697 K703 | S695-R699 WeakPolarHBondContact O-CB 3.41Å; S695-R699 PolarHBondContact O-N 2.93Å; C696-R699 PolarHBondContact O-N 2.79Å; C696-R699 PolarHBondContact SG-NH2 3Å; C696-R699 VanDerWaalsContact SG-NH2 3.4Å; A697-R699 PolarHBondContact O-N 2.96Å; R699-K703 WeakPolarHBondContact O-CE 3.43Å |
| 700 | E | 87.6 | Confident | 88.3 | Confident | 33 Ų | 33 | 39.2 Ų | 39.2 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -87.8 | -31.3 | -175.1 | -61 | -46.2 | 135.4 | 0 | 0 | 113.3 | M690 C696 A697 K703 S704 | M690-E700 HydrophobicContact CB-CB 4.42Å; M690-E700 HydrophobicContact CB-CG 4.4Å; M690-E700 HydrophobicContact CG-CB 4.18Å; M690-E700 HydrophobicContact SD-CB 3.73Å; C696-E700 WeakPolarHBondContact O-CB 3.44Å; C696-E700 WeakPolarHBondContact O-CG 3.48Å; C696-E700 PolarHBondContact O-N 2.81Å; A697-E700 PolarHBondContact O-N 3.21Å; E700-K703 VanDerWaalsContact CD-NZ 3.28Å; E700-K703 PolarHBondContact O-N 2.96Å; E700-K703 IonicContact OE1-NZ 2.88Å; E700-K703 PolarHBondContact OE1-NZ 2.71Å; E700-K703 WeakPolarHBondContact OE2-CD 3.43Å; E700-K703 IonicContact OE2-NZ 3.46Å; E700-K703 PolarHBondContact OE2-NZ 3.49Å; E700-S704 PolarHBondContact O-N 3.48Å; E700-S704 PolarHBondContact O-OG 2.59Å |
| 701 | L | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 176.7 | -79.9 | 168.8 | 0 | 0 | 0 | 113.1 | A697 K703 S704 V705 F711 M721 M730 M731 I734 | A697-L701 VanDerWaalsContact O-CB 3.31Å; A697-L701 WeakPolarHBondContact O-CB 3.4Å; A697-L701 WeakPolarHBondContact O-CG 3.27Å; A697-L701 PolarHBondContact O-N 2.73Å; A697-L701 VanDerWaalsContact O-N 3.08Å; L701-K703 PolarHBondContact O-N 3.26Å; L701-S704 PolarHBondContact O-N 3.4Å; L701-V705 HydrophobicContact CD2-CG2 4.14Å; L701-V705 WeakPolarHBondContact O-CB 3.5Å; L701-V705 WeakPolarHBondContact O-CG2 3.35Å; L701-V705 PolarHBondContact O-N 3.42Å; L701-F711 HydrophobicContact CB-CB 4.49Å; L701-F711 HydrophobicContact CB-CD1 3.92Å; L701-F711 HydrophobicContact CB-CD2 3.78Å; L701-F711 HydrophobicContact CB-CE1 4.01Å; L701-F711 HydrophobicContact CB-CE2 3.88Å; L701-F711 HydrophobicContact CB-CG 3.79Å; L701-F711 HydrophobicContact CB-CZ 3.98Å; L701-F711 HydrophobicContact CD1-CD1 3.65Å; L701-F711 HydrophobicContact CD1-CE1 3.81Å; L701-F711 HydrophobicContact CD1-CG 4.27Å; L701-F711 HydrophobicContact CD2-CE1 4.39Å; L701-F711 HydrophobicContact CD2-CZ 4.46Å; L701-F711 HydrophobicContact CG-CD1 4.36Å; L701-F711 HydrophobicContact CG-CE1 4.3Å; L701-M721 HydrophobicContact CD1-CB 4.19Å; L701-M721 HydrophobicContact CD1-CG 4.05Å; L701-M721 HydrophobicContact CD1-SD 4.14Å; L701-M730 HydrophobicContact CD2-SD 4.18Å; L701-M731 HydrophobicContact CD1-CG 4.17Å; L701-M731 HydrophobicContact CD1-SD 4.04Å; L701-M731 HydrophobicContact CD2-CG 3.66Å; L701-M731 HydrophobicContact CG-CG 4.01Å; L701-M731 HydrophobicContact CG-SD 4.25Å; L701-I734 HydrophobicContact CD2-CD1 3.9Å |
| 702 | P | 87.4 | Confident | 88 | Confident | 60 Ų | 60 | 45.5 Ų | 45.5 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.3 | -31.6 | 177.7 | -22.3 | 30.2 | 0 | 0 | 0 | 114 | S698 S704 F711 | S698-P702 VanDerWaalsContact O-CD 3.26Å; S698-P702 WeakPolarHBondContact O-CD 3.34Å; S698-P702 VanDerWaalsContact O-CG 3.29Å; S698-P702 WeakPolarHBondContact O-CG 3.42Å; P702-S704 VanDerWaalsContact C-N 3.3Å; P702-F711 HydrophobicContact CB-CD2 4.44Å; P702-F711 HydrophobicContact CG-CB 4.23Å; P702-F711 HydrophobicContact CG-CD2 3.88Å; P702-F711 HydrophobicContact CG-CG 4.48Å |
| 703 | K | 83.1 | Confident | 87.8 | Confident | 119 Ų | 119 | 47.1 Ų | 47.1 | 52% | 0.517 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72.1 | -26.6 | 178.6 | -57.2 | 178.8 | -166.7 | 165.2 | 0 | 112.7 | R699 E700 L701 | R699-K703 WeakPolarHBondContact O-CE 3.43Å; E700-K703 VanDerWaalsContact CD-NZ 3.28Å; E700-K703 PolarHBondContact O-N 2.96Å; E700-K703 IonicContact OE1-NZ 2.88Å; E700-K703 PolarHBondContact OE1-NZ 2.71Å; E700-K703 WeakPolarHBondContact OE2-CD 3.43Å; E700-K703 IonicContact OE2-NZ 3.46Å; E700-K703 PolarHBondContact OE2-NZ 3.49Å; L701-K703 PolarHBondContact O-N 3.26Å |
| 704 | S | 83.8 | Confident | 87.8 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -103.3 | -25.2 | -172.9 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | E700 L701 P702 H1042 | E700-S704 PolarHBondContact O-N 3.48Å; E700-S704 PolarHBondContact O-OG 2.59Å; L701-S704 PolarHBondContact O-N 3.4Å; P702-S704 VanDerWaalsContact C-N 3.3Å; S704-H1042 PolarHBondContact O-CE1 2.83Å |
| 705 | V | 86.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -114.4 | 104.8 | -171.5 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | L701 L707 F711 M730 I734 | L701-V705 HydrophobicContact CD2-CG2 4.14Å; L701-V705 WeakPolarHBondContact O-CB 3.5Å; L701-V705 WeakPolarHBondContact O-CG2 3.35Å; L701-V705 PolarHBondContact O-N 3.42Å; V705-L707 VanDerWaalsContact C-N 3.31Å; V705-L707 HydrophobicContact CG1-CB 4.11Å; V705-L707 HydrophobicContact CG1-CD1 4.21Å; V705-L707 HydrophobicContact CG1-CG 4.08Å; V705-L707 PolarHBondContact O-N 3.49Å; V705-F711 HydrophobicContact CB-CE2 3.96Å; V705-F711 HydrophobicContact CB-CZ 3.99Å; V705-F711 HydrophobicContact CG1-CE2 4.24Å; V705-F711 HydrophobicContact CG1-CZ 4Å; V705-F711 HydrophobicContact CG2-CE2 4.49Å; V705-F711 HydrophobicContact CG2-CZ 4.2Å; V705-M730 HydrophobicContact CG1-SD 4.35Å; V705-M730 HydrophobicContact CG2-SD 3.69Å; V705-I734 HydrophobicContact CG2-CD1 4.11Å | ||
| 706 | Q | 78.7 | Confident | 87.8 | Confident | 125 Ų | 125 | 48.2 Ų | 48.2 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | trans | -91.6 | 43.4 | -177.2 | -60.1 | -176.8 | 5 | 0 | 0 | 113.5 | K1072 | Q706-K1072 WeakPolarHBondContact O-CE 3.17Å; Q706-K1072 PolarHBondContact O-NZ 2.98Å | ||
| 707 | L | 84.5 | Confident | 87.6 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -107.6 | 5.9 | -177.7 | -63.2 | -178.9 | 0 | 0 | 0 | 114.2 | V705 I709 F1039 L1071 K1072 I1075 | V705-L707 VanDerWaalsContact C-N 3.31Å; V705-L707 HydrophobicContact CG1-CB 4.11Å; V705-L707 HydrophobicContact CG1-CD1 4.21Å; V705-L707 HydrophobicContact CG1-CG 4.08Å; V705-L707 PolarHBondContact O-N 3.49Å; L707-I709 VanDerWaalsContact C-N 3.27Å; L707-I709 HydrophobicContact CB-CG1 4.43Å; L707-I709 PolarHBondContact O-N 2.86Å; L707-F1039 HydrophobicContact CD1-CB 4.24Å; L707-F1039 HydrophobicContact CD1-CD1 3.43Å; L707-F1039 VanDerWaalsContact CD1-CD1 3.43Å; L707-F1039 HydrophobicContact CD1-CE1 4.07Å; L707-F1039 HydrophobicContact CD1-CG 4.16Å; L707-F1039 VanDerWaalsContact CD1-O 3.24Å; L707-F1039 WeakPolarHBondContact CD1-O 3.49Å; L707-L1071 HydrophobicContact CD1-CD2 4.02Å; L707-L1071 HydrophobicContact CD2-CD2 4.03Å; L707-L1071 HydrophobicContact CD2-CG 4.36Å; L707-K1072 HydrophobicContact CD2-CG 4.05Å; L707-I1075 HydrophobicContact CD1-CD1 4.05Å; L707-I1075 HydrophobicContact CD2-CD1 3.92Å; L707-I1075 HydrophobicContact CG-CD1 4.43Å |
| 708 | G | 80.7 | Confident | 87.4 | Confident | 64 Ų | 64 | 49 Ų | 49 | 66% | 0.66 | 26% | 0.259 | S | S | * | . | trans | 72.9 | 14.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N710 W1130 | G708-N710 PolarHBondContact O-N 3.13Å; G708-W1130 VanDerWaalsContact O-CZ2 3.25Å; G708-W1130 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 709 | I | 89.5 | Confident | 87.5 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | trans | -73.8 | 123.8 | 174 | -59 | 175.7 | 0 | 0 | 0 | 108.9 | L707 F711 L714 W1130 | L707-I709 VanDerWaalsContact C-N 3.27Å; L707-I709 HydrophobicContact CB-CG1 4.43Å; L707-I709 PolarHBondContact O-N 2.86Å; I709-F711 HydrophobicContact CB-CD2 4.42Å; I709-F711 HydrophobicContact CB-CE1 4.33Å; I709-F711 HydrophobicContact CB-CE2 3.93Å; I709-F711 HydrophobicContact CB-CZ 3.89Å; I709-F711 HydrophobicContact CD1-CZ 4.3Å; I709-F711 HydrophobicContact CG2-CD1 4.05Å; I709-F711 HydrophobicContact CG2-CD2 4.37Å; I709-F711 HydrophobicContact CG2-CE1 3.86Å; I709-F711 HydrophobicContact CG2-CE2 4.21Å; I709-F711 HydrophobicContact CG2-CG 4.31Å; I709-F711 HydrophobicContact CG2-CZ 3.95Å; I709-F711 VanDerWaalsContact O-CD2 3.27Å; I709-F711 WeakPolarHBondContact O-CD2 3.43Å; I709-F711 PolarHBondContact O-N 2.98Å; I709-F711 VanDerWaalsContact O-N 3.11Å; I709-L714 HydrophobicContact CG2-CD1 3.64Å; I709-W1130 HydrophobicContact CG1-CG 4.47Å; I709-W1130 HydrophobicContact CG2-CD2 4.3Å; I709-W1130 HydrophobicContact CG2-CG 4.2Å | ||
| 710 | N | 90.5 | Very high | 87.6 | Confident | 76 Ų | 76 | 44.4 Ų | 44.4 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | trans | -84.1 | 83.2 | 175.2 | -170.8 | -19.1 | 0 | 0 | 0 | 110.9 | G708 K712 S713 L714 W1130 | G708-N710 PolarHBondContact O-N 3.13Å; N710-K712 PolarHBondContact O-N 2.74Å; N710-K712 PolarHBondContact OD1-N 3.19Å; N710-S713 VanDerWaalsContact CG-CB 3.49Å; N710-S713 PolarHBondContact O-N 3.21Å; N710-S713 PolarHBondContact OD1-N 2.87Å; N710-L714 WeakPolarHBondContact O-CG 3.15Å; N710-L714 PolarHBondContact O-N 2.97Å; N710-L714 VanDerWaalsContact O-N 3.12Å; N710-W1130 HydrophobicContact CB-CH2 3.49Å; N710-W1130 VanDerWaalsContact CB-CH2 3.49Å; N710-W1130 HydrophobicContact CB-CZ2 4.35Å; N710-W1130 HydrophobicContact CB-CZ3 3.59Å | ||
| 711 | F | 91.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -31 | 179.7 | -62.2 | -79.6 | 0 | 0 | 0 | 113.6 | L701 P702 V705 I709 S715 M721 F727 | L701-F711 HydrophobicContact CB-CB 4.49Å; L701-F711 HydrophobicContact CB-CD1 3.92Å; L701-F711 HydrophobicContact CB-CD2 3.78Å; L701-F711 HydrophobicContact CB-CE1 4.01Å; L701-F711 HydrophobicContact CB-CE2 3.88Å; L701-F711 HydrophobicContact CB-CG 3.79Å; L701-F711 HydrophobicContact CB-CZ 3.98Å; L701-F711 HydrophobicContact CD1-CD1 3.65Å; L701-F711 HydrophobicContact CD1-CE1 3.81Å; L701-F711 HydrophobicContact CD1-CG 4.27Å; L701-F711 HydrophobicContact CD2-CE1 4.39Å; L701-F711 HydrophobicContact CD2-CZ 4.46Å; L701-F711 HydrophobicContact CG-CD1 4.36Å; L701-F711 HydrophobicContact CG-CE1 4.3Å; P702-F711 HydrophobicContact CB-CD2 4.44Å; P702-F711 HydrophobicContact CG-CB 4.23Å; P702-F711 HydrophobicContact CG-CD2 3.88Å; P702-F711 HydrophobicContact CG-CG 4.48Å; V705-F711 HydrophobicContact CB-CE2 3.96Å; V705-F711 HydrophobicContact CB-CZ 3.99Å; V705-F711 HydrophobicContact CG1-CE2 4.24Å; V705-F711 HydrophobicContact CG1-CZ 4Å; V705-F711 HydrophobicContact CG2-CE2 4.49Å; V705-F711 HydrophobicContact CG2-CZ 4.2Å; I709-F711 HydrophobicContact CB-CD2 4.42Å; I709-F711 HydrophobicContact CB-CE1 4.33Å; I709-F711 HydrophobicContact CB-CE2 3.93Å; I709-F711 HydrophobicContact CB-CZ 3.89Å; I709-F711 HydrophobicContact CD1-CZ 4.3Å; I709-F711 HydrophobicContact CG2-CD1 4.05Å; I709-F711 HydrophobicContact CG2-CD2 4.37Å; I709-F711 HydrophobicContact CG2-CE1 3.86Å; I709-F711 HydrophobicContact CG2-CE2 4.21Å; I709-F711 HydrophobicContact CG2-CG 4.31Å; I709-F711 HydrophobicContact CG2-CZ 3.95Å; I709-F711 VanDerWaalsContact O-CD2 3.27Å; I709-F711 WeakPolarHBondContact O-CD2 3.43Å; I709-F711 PolarHBondContact O-N 2.98Å; I709-F711 VanDerWaalsContact O-N 3.11Å; F711-S715 WeakPolarHBondContact O-CB 3.28Å; F711-S715 PolarHBondContact O-N 3.24Å; F711-M721 HydrophobicContact CB-CE 4.12Å; F711-M721 HydrophobicContact CD1-CE 3.86Å; F711-M721 HydrophobicContact CD1-SD 4.03Å; F711-M721 WeakPolarHBondContact O-CE 3.17Å; F711-F727 HydrophobicContact CD1-CD1 4.46Å; F711-F727 HydrophobicContact CD1-CE1 4.34Å; F711-F727 AromaticContact CE1-CD1 3.84Å; F711-F727 HydrophobicContact CE1-CD1 3.84Å; F711-F727 AromaticContact CE1-CE1 3.74Å; F711-F727 HydrophobicContact CE1-CE1 3.74Å |
| 712 | K | 88.7 | Confident | 87.8 | Confident | 133 Ų | 133 | 42.9 Ų | 42.9 | 58% | 0.578 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65 | -49.6 | 176.9 | -174.2 | -175.2 | 176.8 | -170.4 | 0 | 110.9 | N710 L714 S715 E716 | N710-K712 PolarHBondContact O-N 2.74Å; N710-K712 PolarHBondContact OD1-N 3.19Å; K712-L714 VanDerWaalsContact C-N 3.34Å; K712-L714 PolarHBondContact O-N 3.36Å; K712-S715 WeakPolarHBondContact O-CB 3.31Å; K712-S715 PolarHBondContact O-N 2.78Å; K712-E716 WeakPolarHBondContact CE-OE1 3.1Å; K712-E716 WeakPolarHBondContact O-CG 3.42Å; K712-E716 PolarHBondContact O-N 3.11Å |
| 713 | S | 88.9 | Confident | 87.7 | Confident | 33 Ų | 33 | 43 Ų | 43 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | N710 S715 E716 V717 | N710-S713 VanDerWaalsContact CG-CB 3.49Å; N710-S713 PolarHBondContact O-N 3.21Å; N710-S713 PolarHBondContact OD1-N 2.87Å; S713-S715 VanDerWaalsContact C-N 3.33Å; S713-S715 PolarHBondContact O-N 3.3Å; S713-E716 PolarHBondContact O-N 2.89Å; S713-V717 PolarHBondContact O-N 2.84Å; S713-V717 VanDerWaalsContact O-N 3.11Å |
| 714 | L | 92 | Very high | 88 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 175.5 | -67.8 | 174.9 | 0 | 0 | 0 | 112.1 | I709 N710 K712 V717 G718 I719 M721 F727 W1127 W1130 A1134 | I709-L714 HydrophobicContact CG2-CD1 3.64Å; N710-L714 WeakPolarHBondContact O-CG 3.15Å; N710-L714 PolarHBondContact O-N 2.97Å; N710-L714 VanDerWaalsContact O-N 3.12Å; K712-L714 VanDerWaalsContact C-N 3.34Å; K712-L714 PolarHBondContact O-N 3.36Å; L714-V717 WeakPolarHBondContact O-CG2 3.39Å; L714-V717 PolarHBondContact O-N 3.13Å; L714-G718 PolarHBondContact O-N 2.88Å; L714-I719 HydrophobicContact CB-CB 4.28Å; L714-I719 HydrophobicContact CB-CD1 4.37Å; L714-I719 HydrophobicContact CD2-CD1 3.56Å; L714-I719 WeakPolarHBondContact O-CB 3.49Å; L714-I719 PolarHBondContact O-N 2.85Å; L714-M721 HydrophobicContact CB-CE 3.49Å; L714-M721 VanDerWaalsContact CB-CE 3.49Å; L714-M721 HydrophobicContact CD1-CE 4Å; L714-M721 HydrophobicContact CG-CE 4.4Å; L714-F727 HydrophobicContact CD1-CE2 4.34Å; L714-F727 HydrophobicContact CD1-CZ 3.87Å; L714-W1127 HydrophobicContact CD2-CZ3 4.34Å; L714-W1130 HydrophobicContact CD1-CB 4.44Å; L714-W1130 HydrophobicContact CD2-CB 4.39Å; L714-W1130 HydrophobicContact CD2-CE3 4.24Å; L714-W1130 HydrophobicContact CG-CE3 4.35Å; L714-A1134 HydrophobicContact CD2-CB 3.97Å |
| 715 | S | 90 | Very high | 88.2 | Confident | 22 Ų | 22 | 38.3 Ų | 38.3 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | S698 F711 K712 S713 V717 G718 | S698-S715 VanDerWaalsContact OG-CB 3.27Å; S698-S715 WeakPolarHBondContact OG-CB 3.04Å; S698-S715 PolarHBondContact OG-OG 3.27Å; S698-S715 VanDerWaalsContact OG-OG 3.05Å; F711-S715 WeakPolarHBondContact O-CB 3.28Å; F711-S715 PolarHBondContact O-N 3.24Å; K712-S715 WeakPolarHBondContact O-CB 3.31Å; K712-S715 PolarHBondContact O-N 2.78Å; S713-S715 VanDerWaalsContact C-N 3.33Å; S713-S715 PolarHBondContact O-N 3.3Å; S715-V717 VanDerWaalsContact C-N 3.32Å; S715-V717 PolarHBondContact O-N 2.76Å; S715-G718 PolarHBondContact O-N 2.74Å |
| 716 | E | 88 | Confident | 88.3 | Confident | 127 Ų | 127 | 38 Ų | 38 | 59% | 0.593 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.3 | -35.2 | 177.6 | -73.8 | 169.8 | 175.2 | 0 | 0 | 112.7 | K712 S713 G718 | K712-E716 WeakPolarHBondContact CE-OE1 3.1Å; K712-E716 WeakPolarHBondContact O-CG 3.42Å; K712-E716 PolarHBondContact O-N 3.11Å; S713-E716 PolarHBondContact O-N 2.89Å; E716-G718 PolarHBondContact O-N 2.64Å |
| 717 | V | 89 | Confident | 89 | Confident | 16 Ų | 16 | 32 Ų | 32 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 8.4 | 172.7 | -54.4 | 0 | 0 | 0 | 0 | 112.9 | S713 L714 S715 I719 A1134 K1137 E1138 N1143 | S713-V717 PolarHBondContact O-N 2.84Å; S713-V717 VanDerWaalsContact O-N 3.11Å; L714-V717 WeakPolarHBondContact O-CG2 3.39Å; L714-V717 PolarHBondContact O-N 3.13Å; S715-V717 VanDerWaalsContact C-N 3.32Å; S715-V717 PolarHBondContact O-N 2.76Å; V717-I719 HydrophobicContact CG2-CD1 4.08Å; V717-I719 HydrophobicContact CG2-CG1 4.28Å; V717-A1134 HydrophobicContact CG2-CB 4.12Å; V717-K1137 HydrophobicContact CB-CB 4.42Å; V717-K1137 HydrophobicContact CB-CG 4.49Å; V717-K1137 HydrophobicContact CG2-CB 4.17Å; V717-K1137 HydrophobicContact CG2-CG 4.33Å; V717-K1137 WeakPolarHBondContact O-CG 3.44Å; V717-E1138 HydrophobicContact CB-CB 4.49Å; V717-E1138 HydrophobicContact CG1-CB 4Å; V717-N1143 PolarHBondContact O-ND2 3.04Å |
| 718 | G | 88.3 | Confident | 89.3 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 13.8 | 172 | 0 | 0 | 0 | 0 | 0 | 116 | L714 S715 E716 R720 | L714-G718 PolarHBondContact O-N 2.88Å; S715-G718 PolarHBondContact O-N 2.74Å; E716-G718 PolarHBondContact O-N 2.64Å; G718-R720 PolarHBondContact O-N 3.16Å |
| 719 | I | 90.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | -78.3 | 118.5 | 168.2 | -64.6 | 166.1 | 0 | 0 | 0 | 108.1 | L714 V717 F727 W1127 K1137 | L714-I719 HydrophobicContact CB-CB 4.28Å; L714-I719 HydrophobicContact CB-CD1 4.37Å; L714-I719 HydrophobicContact CD2-CD1 3.56Å; L714-I719 WeakPolarHBondContact O-CB 3.49Å; L714-I719 PolarHBondContact O-N 2.85Å; V717-I719 HydrophobicContact CG2-CD1 4.08Å; V717-I719 HydrophobicContact CG2-CG1 4.28Å; I719-F727 HydrophobicContact CG2-CD2 4.42Å; I719-F727 HydrophobicContact CG2-CE2 4.02Å; I719-W1127 HydrophobicContact CD1-CH2 4.05Å; I719-W1127 HydrophobicContact CD1-CZ3 3.98Å; I719-W1127 HydrophobicContact CG2-CH2 3.74Å; I719-W1127 HydrophobicContact CG2-CZ3 4.33Å; I719-K1137 HydrophobicContact CG1-CG 4.14Å | ||
| 720 | R | 89.4 | Confident | 89.7 | Confident | 41 Ų | 41 | 28 Ų | 28 | 16% | 0.155 | 14% | 0.142 | C | C | . | . | trans | -96.8 | 110.5 | -172.3 | -56.8 | -57.4 | -179 | -170.9 | -1 | 111.2 | E694 G718 T722 N723 E724 A1146 P1150 | E694-R720 WeakPolarHBondContact OE1-CA 3.37Å; E694-R720 WeakPolarHBondContact OE1-CB 3.49Å; G718-R720 PolarHBondContact O-N 3.16Å; R720-T722 VanDerWaalsContact C-N 3.32Å; R720-T722 PolarHBondContact O-N 3.19Å; R720-N723 HydrophobicContact CB-CB 4.47Å; R720-N723 PolarHBondContact O-N 2.83Å; R720-E724 VanDerWaalsContact O-CB 3.23Å; R720-E724 WeakPolarHBondContact O-CB 3.28Å; R720-E724 PolarHBondContact O-N 3.22Å; R720-A1146 PolarHBondContact NH2-O 2.95Å; R720-P1150 HydrophobicContact CB-CG 4.14Å; R720-P1150 HydrophobicContact CG-CG 4.07Å | ||
| 721 | M | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -34.9 | -174 | -57.4 | -60.7 | 168.7 | 0 | 0 | 112.4 | E694 A697 L701 F711 L714 N723 F727 R728 M731 | E694-M721 PolarHBondContact OE1-N 2.84Å; E694-M721 VanDerWaalsContact OE1-N 3.13Å; E694-M721 PolarHBondContact OE2-N 3.28Å; A697-M721 HydrophobicContact CB-CB 3.73Å; A697-M721 HydrophobicContact CB-CG 4.28Å; L701-M721 HydrophobicContact CD1-CB 4.19Å; L701-M721 HydrophobicContact CD1-CG 4.05Å; L701-M721 HydrophobicContact CD1-SD 4.14Å; F711-M721 HydrophobicContact CB-CE 4.12Å; F711-M721 HydrophobicContact CD1-CE 3.86Å; F711-M721 HydrophobicContact CD1-SD 4.03Å; F711-M721 WeakPolarHBondContact O-CE 3.17Å; L714-M721 HydrophobicContact CB-CE 3.49Å; L714-M721 VanDerWaalsContact CB-CE 3.49Å; L714-M721 HydrophobicContact CD1-CE 4Å; L714-M721 HydrophobicContact CG-CE 4.4Å; M721-N723 PolarHBondContact O-N 3.03Å; M721-F727 HydrophobicContact CB-CB 4.31Å; M721-F727 HydrophobicContact CE-CD2 4.43Å; M721-F727 HydrophobicContact CE-CE2 4.36Å; M721-F727 HydrophobicContact SD-CB 3.89Å; M721-F727 HydrophobicContact SD-CD1 4.07Å; M721-F727 HydrophobicContact SD-CD2 3.33Å; M721-F727 WeakPolarHBondContact SD-CD2 3.2Å; M721-F727 HydrophobicContact SD-CE1 4.5Å; M721-F727 HydrophobicContact SD-CE2 3.81Å; M721-F727 HydrophobicContact SD-CG 3.49Å; M721-F727 WeakPolarHBondContact SD-CG 3.19Å; M721-F727 HydrophobicContact SD-CZ 4.38Å; M721-R728 PolarHBondContact O-N 3.03Å; M721-M731 HydrophobicContact CB-CE 4.11Å; M721-M731 WeakPolarHBondContact O-CE 3.34Å |
| 722 | T | 90.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19 | -176.9 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | E694 A697 R720 R728 | E694-T722 HydrophobicContact CG-CG2 4.44Å; E694-T722 VanDerWaalsContact OE1-CB 3.27Å; E694-T722 WeakPolarHBondContact OE1-CB 3.27Å; E694-T722 WeakPolarHBondContact OE1-CG2 3.28Å; E694-T722 PolarHBondContact OE1-N 3.45Å; E694-T722 PolarHBondContact OE1-OG1 2.82Å; A697-T722 HydrophobicContact CB-CG2 4.43Å; R720-T722 VanDerWaalsContact C-N 3.32Å; R720-T722 PolarHBondContact O-N 3.19Å; T722-R728 VanDerWaalsContact O-CD 3.31Å; T722-R728 WeakPolarHBondContact O-CD 3.35Å; T722-R728 PolarHBondContact O-NH1 2.8Å |
| 723 | N | 86 | Confident | 89.9 | Confident | 63 Ų | 63 | 19.5 Ų | 19.5 | 34% | 0.337 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -27.4 | -176.5 | -165.2 | 59.2 | 0 | 0 | 0 | 113.5 | R720 M721 V725 P1150 | R720-N723 HydrophobicContact CB-CB 4.47Å; R720-N723 PolarHBondContact O-N 2.83Å; M721-N723 PolarHBondContact O-N 3.03Å; N723-V725 PolarHBondContact O-N 2.8Å; N723-P1150 HydrophobicContact CB-CB 4.47Å; N723-P1150 HydrophobicContact CB-CG 4.45Å |
| 724 | E | 89.6 | Confident | 90 | Very high | 24 Ų | 24 | 18 Ų | 18 | 11% | 0.112 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -66.4 | 126.5 | 174.8 | -161 | -61.6 | 110.9 | 0 | 0 | 109.7 | R720 F726 F727 R728 Y1111 W1127 | R720-E724 VanDerWaalsContact O-CB 3.23Å; R720-E724 WeakPolarHBondContact O-CB 3.28Å; R720-E724 PolarHBondContact O-N 3.22Å; E724-F726 VanDerWaalsContact CD-N 3.33Å; E724-F726 PolarHBondContact O-N 2.55Å; E724-F726 PolarHBondContact OE1-N 3.23Å; E724-F726 VanDerWaalsContact OE1-N 3.12Å; E724-F726 VanDerWaalsContact OE2-CA 3.31Å; E724-F726 WeakPolarHBondContact OE2-CA 3.21Å; E724-F726 VanDerWaalsContact OE2-CB 3.22Å; E724-F726 WeakPolarHBondContact OE2-CB 3.42Å; E724-F726 PolarHBondContact OE2-N 2.96Å; E724-F727 HydrophobicContact CB-CD2 3.9Å; E724-F727 HydrophobicContact CG-CD2 3.82Å; E724-F727 HydrophobicContact CG-CE2 4.3Å; E724-F727 PolarHBondContact O-N 3.36Å; E724-F727 WeakPolarHBondContact OE2-CD2 3.24Å; E724-F727 PolarHBondContact OE2-N 2.79Å; E724-R728 WeakPolarHBondContact O-CB 3.49Å; E724-R728 PolarHBondContact O-N 2.81Å; E724-Y1111 WeakPolarHBondContact OE1-CE1 3.2Å; E724-Y1111 PolarHBondContact OE1-OH 3.11Å; E724-W1127 HydrophobicContact CG-CH2 4.33Å; E724-W1127 HydrophobicContact CG-CZ2 3.58Å |
| 725 | V | 86.8 | Confident | 90.1 | Very high | 9 Ų | 9 | 18 Ų | 18 | 6% | 0.055 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | -168.9 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | N723 N729 F992 F1123 | N723-V725 PolarHBondContact O-N 2.8Å; V725-N729 WeakPolarHBondContact CG1-ND2 3.27Å; V725-N729 WeakPolarHBondContact O-CB 3.43Å; V725-N729 PolarHBondContact O-N 2.88Å; V725-N729 VanDerWaalsContact O-N 3.07Å; V725-N729 PolarHBondContact O-ND2 3.22Å; V725-F992 HydrophobicContact CG1-CB 4.45Å; V725-F992 HydrophobicContact CG2-CB 3.62Å; V725-F992 HydrophobicContact CG2-CD1 4.28Å; V725-F992 HydrophobicContact CG2-CG 4.08Å; V725-F1123 HydrophobicContact CG1-CE2 4.1Å; V725-F1123 HydrophobicContact CG1-CZ 4.38Å |
| 726 | F | 90.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.7 | -49 | -178.8 | 175 | -107.9 | 0 | 0 | 0 | 111.3 | E724 M730 F1036 F1039 F1123 W1127 | E724-F726 VanDerWaalsContact CD-N 3.33Å; E724-F726 PolarHBondContact O-N 2.55Å; E724-F726 PolarHBondContact OE1-N 3.23Å; E724-F726 VanDerWaalsContact OE1-N 3.12Å; E724-F726 VanDerWaalsContact OE2-CA 3.31Å; E724-F726 WeakPolarHBondContact OE2-CA 3.21Å; E724-F726 VanDerWaalsContact OE2-CB 3.22Å; E724-F726 WeakPolarHBondContact OE2-CB 3.42Å; E724-F726 PolarHBondContact OE2-N 2.96Å; F726-M730 HydrophobicContact CD1-CE 3.71Å; F726-M730 HydrophobicContact CE1-CE 3.23Å; F726-M730 HydrophobicContact CE2-CE 4.36Å; F726-M730 HydrophobicContact CG-CE 4.45Å; F726-M730 HydrophobicContact CZ-CE 3.61Å; F726-M730 VanDerWaalsContact O-CB 3.29Å; F726-M730 WeakPolarHBondContact O-CB 3.35Å; F726-M730 PolarHBondContact O-N 3.02Å; F726-F1036 AromaticContact CD2-CD1 3.84Å; F726-F1036 HydrophobicContact CD2-CD1 3.84Å; F726-F1036 AromaticContact CD2-CE1 3.93Å; F726-F1036 HydrophobicContact CD2-CE1 3.93Å; F726-F1036 HydrophobicContact CE2-CD1 4.28Å; F726-F1039 HydrophobicContact CE2-CB 4.23Å; F726-F1039 HydrophobicContact CE2-CD2 4.41Å; F726-F1039 HydrophobicContact CE2-CG 4.16Å; F726-F1039 HydrophobicContact CZ-CB 3.79Å; F726-F1039 AromaticContact CZ-CD1 3.75Å; F726-F1039 HydrophobicContact CZ-CD1 3.75Å; F726-F1039 HydrophobicContact CZ-CD2 4.31Å; F726-F1039 HydrophobicContact CZ-CE1 4.47Å; F726-F1039 AromaticContact CZ-CG 3.67Å; F726-F1039 HydrophobicContact CZ-CG 3.67Å; F726-F1123 HydrophobicContact CB-CB 3.97Å; F726-F1123 HydrophobicContact CD2-CB 4.07Å; F726-F1123 HydrophobicContact CG-CB 4.33Å; F726-W1127 HydrophobicContact CD1-CB 4.3Å; F726-W1127 AromaticContact CD1-CD1 3.27Å; F726-W1127 AromaticContact CD1-CG 3.82Å; F726-W1127 HydrophobicContact CD1-CG 3.82Å; F726-W1127 AromaticContact CD1-NE1 3.79Å; F726-W1127 HydrophobicContact CE1-CB 4.13Å; F726-W1127 AromaticContact CE1-CD1 3.92Å; F726-W1127 HydrophobicContact CE1-CG 4.14Å; F726-W1127 AromaticContact CG-CD1 3.71Å |
| 727 | F | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 177.7 | -62.1 | -51.7 | 0 | 0 | 0 | 112.9 | F711 L714 I719 M721 E724 M730 M731 W1127 | F711-F727 HydrophobicContact CD1-CD1 4.46Å; F711-F727 HydrophobicContact CD1-CE1 4.34Å; F711-F727 AromaticContact CE1-CD1 3.84Å; F711-F727 HydrophobicContact CE1-CD1 3.84Å; F711-F727 AromaticContact CE1-CE1 3.74Å; F711-F727 HydrophobicContact CE1-CE1 3.74Å; L714-F727 HydrophobicContact CD1-CE2 4.34Å; L714-F727 HydrophobicContact CD1-CZ 3.87Å; I719-F727 HydrophobicContact CG2-CD2 4.42Å; I719-F727 HydrophobicContact CG2-CE2 4.02Å; M721-F727 HydrophobicContact CB-CB 4.31Å; M721-F727 HydrophobicContact CE-CD2 4.43Å; M721-F727 HydrophobicContact CE-CE2 4.36Å; M721-F727 HydrophobicContact SD-CB 3.89Å; M721-F727 HydrophobicContact SD-CD1 4.07Å; M721-F727 HydrophobicContact SD-CD2 3.33Å; M721-F727 WeakPolarHBondContact SD-CD2 3.2Å; M721-F727 HydrophobicContact SD-CE1 4.5Å; M721-F727 HydrophobicContact SD-CE2 3.81Å; M721-F727 HydrophobicContact SD-CG 3.49Å; M721-F727 WeakPolarHBondContact SD-CG 3.19Å; M721-F727 HydrophobicContact SD-CZ 4.38Å; E724-F727 HydrophobicContact CB-CD2 3.9Å; E724-F727 HydrophobicContact CG-CD2 3.82Å; E724-F727 HydrophobicContact CG-CE2 4.3Å; E724-F727 PolarHBondContact O-N 3.36Å; E724-F727 WeakPolarHBondContact OE2-CD2 3.24Å; E724-F727 PolarHBondContact OE2-N 2.79Å; F727-M730 HydrophobicContact CD1-CE 3.65Å; F727-M730 HydrophobicContact CE1-CE 4.11Å; F727-M730 WeakPolarHBondContact O-CB 3.36Å; F727-M730 PolarHBondContact O-N 2.84Å; F727-M731 WeakPolarHBondContact O-CG 3.32Å; F727-M731 PolarHBondContact O-N 3.37Å; F727-W1127 HydrophobicContact CD2-CZ2 4.36Å; F727-W1127 AromaticContact CE2-CD2 3.9Å; F727-W1127 HydrophobicContact CE2-CD2 3.9Å; F727-W1127 AromaticContact CE2-CE2 3.77Å; F727-W1127 AromaticContact CE2-CE3 3.84Å; F727-W1127 HydrophobicContact CE2-CE3 3.84Å; F727-W1127 AromaticContact CE2-CH2 3.59Å; F727-W1127 HydrophobicContact CE2-CH2 3.59Å; F727-W1127 AromaticContact CE2-CZ2 3.64Å; F727-W1127 HydrophobicContact CE2-CZ2 3.64Å; F727-W1127 AromaticContact CE2-CZ3 3.69Å; F727-W1127 HydrophobicContact CE2-CZ3 3.69Å; F727-W1127 AromaticContact CZ-CD2 3.62Å; F727-W1127 HydrophobicContact CZ-CD2 3.62Å; F727-W1127 AromaticContact CZ-CE2 3.96Å; F727-W1127 AromaticContact CZ-CE3 3.54Å; F727-W1127 HydrophobicContact CZ-CE3 3.54Å; F727-W1127 HydrophobicContact CZ-CG 4.23Å; F727-W1127 HydrophobicContact CZ-CH2 4.19Å; F727-W1127 HydrophobicContact CZ-CZ2 4.25Å; F727-W1127 AromaticContact CZ-CZ3 3.84Å; F727-W1127 HydrophobicContact CZ-CZ3 3.84Å |
| 728 | R | 90.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 0% | 0.004 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 176.9 | -169.5 | -170 | 174.5 | 72.4 | 7.2 | 112 | L691 M721 T722 E724 M730 M731 L732 F992 A1298 L1299 | L691-R728 PolarHBondContact O-NH1 2.84Å; M721-R728 PolarHBondContact O-N 3.03Å; T722-R728 VanDerWaalsContact O-CD 3.31Å; T722-R728 WeakPolarHBondContact O-CD 3.35Å; T722-R728 PolarHBondContact O-NH1 2.8Å; E724-R728 WeakPolarHBondContact O-CB 3.49Å; E724-R728 PolarHBondContact O-N 2.81Å; R728-M730 VanDerWaalsContact C-N 3.27Å; R728-M730 PolarHBondContact O-N 3.46Å; R728-M731 HydrophobicContact CB-CE 4.41Å; R728-M731 WeakPolarHBondContact O-CB 3.23Å; R728-M731 PolarHBondContact O-N 2.83Å; R728-L732 WeakPolarHBondContact O-CG 3.46Å; R728-L732 PolarHBondContact O-N 3.39Å; R728-F992 HydrophobicContact CG-CE2 4.48Å; R728-F992 VanDerWaalsContact NE-CE2 3.28Å; R728-A1298 PolarHBondContact NH2-O 3.18Å; R728-L1299 PolarHBondContact NH2-O 3.45Å |
| 729 | N | 88.7 | Confident | 90.7 | Very high | 28 Ų | 28 | 13 Ų | 13 | 15% | 0.15 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.8 | -28.7 | 178 | -75.4 | -63.6 | 0 | 0 | 0 | 112.4 | V725 L732 S733 F1036 | V725-N729 WeakPolarHBondContact CG1-ND2 3.27Å; V725-N729 WeakPolarHBondContact O-CB 3.43Å; V725-N729 PolarHBondContact O-N 2.88Å; V725-N729 VanDerWaalsContact O-N 3.07Å; V725-N729 PolarHBondContact O-ND2 3.22Å; N729-L732 PolarHBondContact O-N 3.38Å; N729-S733 WeakPolarHBondContact O-CB 3.31Å; N729-S733 PolarHBondContact O-N 3.09Å; N729-S733 PolarHBondContact O-OG 2.85Å; N729-F1036 HydrophobicContact CB-CB 4.18Å; N729-F1036 HydrophobicContact CB-CD1 3.6Å; N729-F1036 HydrophobicContact CB-CD2 3.55Å; N729-F1036 HydrophobicContact CB-CE1 3.77Å; N729-F1036 HydrophobicContact CB-CE2 3.71Å; N729-F1036 HydrophobicContact CB-CG 3.49Å; N729-F1036 VanDerWaalsContact CB-CG 3.49Å; N729-F1036 HydrophobicContact CB-CZ 3.82Å |
| 730 | M | 90.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 168.9 | -168.7 | -169.6 | -42.2 | 0 | 0 | 111.1 | L701 V705 F726 F727 R728 L732 S733 I734 | L701-M730 HydrophobicContact CD2-SD 4.18Å; V705-M730 HydrophobicContact CG1-SD 4.35Å; V705-M730 HydrophobicContact CG2-SD 3.69Å; F726-M730 HydrophobicContact CD1-CE 3.71Å; F726-M730 HydrophobicContact CE1-CE 3.23Å; F726-M730 HydrophobicContact CE2-CE 4.36Å; F726-M730 HydrophobicContact CG-CE 4.45Å; F726-M730 HydrophobicContact CZ-CE 3.61Å; F726-M730 VanDerWaalsContact O-CB 3.29Å; F726-M730 WeakPolarHBondContact O-CB 3.35Å; F726-M730 PolarHBondContact O-N 3.02Å; F727-M730 HydrophobicContact CD1-CE 3.65Å; F727-M730 HydrophobicContact CE1-CE 4.11Å; F727-M730 WeakPolarHBondContact O-CB 3.36Å; F727-M730 PolarHBondContact O-N 2.84Å; R728-M730 VanDerWaalsContact C-N 3.27Å; R728-M730 PolarHBondContact O-N 3.46Å; M730-L732 VanDerWaalsContact C-N 3.35Å; M730-L732 PolarHBondContact O-N 2.85Å; M730-S733 WeakPolarHBondContact O-CB 3.13Å; M730-S733 PolarHBondContact O-N 3.07Å; M730-S733 VanDerWaalsContact O-N 3.17Å; M730-I734 HydrophobicContact CG-CD1 4.42Å; M730-I734 WeakPolarHBondContact O-CG1 3.49Å; M730-I734 PolarHBondContact O-N 3.34Å |
| 731 | M | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 174.6 | -72.2 | -173 | -62.8 | 0 | 0 | 112.7 | M690 L691 A697 L701 M721 F727 R728 S733 I734 Y735 | M690-M731 HydrophobicContact CE-CB 3.91Å; M690-M731 HydrophobicContact CE-CG 4.19Å; M690-M731 HydrophobicContact CG-CB 4.44Å; M690-M731 HydrophobicContact CG-CG 3.98Å; M690-M731 HydrophobicContact CG-SD 3.48Å; M690-M731 WeakPolarHBondContact CG-SD 3.39Å; M690-M731 VanDerWaalsContact O-SD 3.41Å; M690-M731 HydrophobicContact SD-CB 4.36Å; M690-M731 HydrophobicContact SD-CG 3.96Å; M690-M731 HydrophobicContact SD-SD 4.24Å; L691-M731 HydrophobicContact CD2-CB 3.74Å; A697-M731 HydrophobicContact CB-CE 4.39Å; A697-M731 HydrophobicContact CB-SD 3.67Å; L701-M731 HydrophobicContact CD1-CG 4.17Å; L701-M731 HydrophobicContact CD1-SD 4.04Å; L701-M731 HydrophobicContact CD2-CG 3.66Å; L701-M731 HydrophobicContact CG-CG 4.01Å; L701-M731 HydrophobicContact CG-SD 4.25Å; M721-M731 HydrophobicContact CB-CE 4.11Å; M721-M731 WeakPolarHBondContact O-CE 3.34Å; F727-M731 WeakPolarHBondContact O-CG 3.32Å; F727-M731 PolarHBondContact O-N 3.37Å; R728-M731 HydrophobicContact CB-CE 4.41Å; R728-M731 WeakPolarHBondContact O-CB 3.23Å; R728-M731 PolarHBondContact O-N 2.83Å; M731-S733 VanDerWaalsContact C-N 3.34Å; M731-I734 PolarHBondContact O-N 3Å; M731-Y735 WeakPolarHBondContact O-CB 3.41Å; M731-Y735 PolarHBondContact O-N 2.78Å |
| 732 | L | 90.5 | Very high | 90.4 | Very high | 22 Ų | 22 | 19 Ų | 19 | 12% | 0.115 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.4 | -36.8 | 173.7 | -71.9 | 170.5 | 0 | 0 | 0 | 112.1 | L691 R728 N729 M730 Y735 S736 V989 L1299 | L691-L732 HydrophobicContact CD1-CD2 3.96Å; L691-L732 HydrophobicContact CD2-CD2 3.99Å; L691-L732 HydrophobicContact CD2-CG 4.22Å; R728-L732 WeakPolarHBondContact O-CG 3.46Å; R728-L732 PolarHBondContact O-N 3.39Å; N729-L732 PolarHBondContact O-N 3.38Å; M730-L732 VanDerWaalsContact C-N 3.35Å; M730-L732 PolarHBondContact O-N 2.85Å; L732-Y735 PolarHBondContact O-N 3.19Å; L732-S736 VanDerWaalsContact O-CB 3.3Å; L732-S736 WeakPolarHBondContact O-CB 3.47Å; L732-S736 PolarHBondContact O-N 2.86Å; L732-V989 HydrophobicContact CD1-CG1 3.82Å; L732-L1299 HydrophobicContact CD2-CD2 3.96Å |
| 733 | S | 90.2 | Very high | 90.6 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 8% | 0.077 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 173.8 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | N729 M730 M731 S736 S737 F1036 | N729-S733 WeakPolarHBondContact O-CB 3.31Å; N729-S733 PolarHBondContact O-N 3.09Å; N729-S733 PolarHBondContact O-OG 2.85Å; M730-S733 WeakPolarHBondContact O-CB 3.13Å; M730-S733 PolarHBondContact O-N 3.07Å; M730-S733 VanDerWaalsContact O-N 3.17Å; M731-S733 VanDerWaalsContact C-N 3.34Å; S733-S736 PolarHBondContact O-N 3.22Å; S733-S737 WeakPolarHBondContact O-CB 3.43Å; S733-S737 PolarHBondContact O-N 2.99Å; S733-F1036 WeakPolarHBondContact OG-CB 3.4Å |
| 734 | I | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 174.6 | -65.9 | 162.9 | 0 | 0 | 0 | 110.2 | M690 L701 V705 M730 M731 S736 S737 K738 H1042 | M690-I734 HydrophobicContact CE-CB 4.35Å; M690-I734 HydrophobicContact CE-CG2 4.18Å; L701-I734 HydrophobicContact CD2-CD1 3.9Å; V705-I734 HydrophobicContact CG2-CD1 4.11Å; M730-I734 HydrophobicContact CG-CD1 4.42Å; M730-I734 WeakPolarHBondContact O-CG1 3.49Å; M730-I734 PolarHBondContact O-N 3.34Å; M731-I734 PolarHBondContact O-N 3Å; I734-S736 PolarHBondContact O-N 3.3Å; I734-S737 PolarHBondContact O-N 3.49Å; I734-K738 HydrophobicContact CG2-CD 4.05Å; I734-K738 HydrophobicContact CG2-CG 4.44Å; I734-K738 WeakPolarHBondContact O-CB 2.94Å; I734-K738 WeakPolarHBondContact O-CG 3.25Å; I734-K738 PolarHBondContact O-N 3.03Å; I734-H1042 HydrophobicContact CG1-CB 4.39Å |
| 735 | Y | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.6 | -54.3 | 178 | -171.4 | -68.1 | 0 | 0 | 0 | 110.9 | L687 S688 L691 M731 L732 S737 K738 V739 V980 I984 H1295 L1299 | L687-Y735 HydrophobicContact CB-CD2 3.53Å; L687-Y735 HydrophobicContact CB-CE2 3.66Å; L687-Y735 HydrophobicContact CB-CG 4.33Å; L687-Y735 WeakPolarHBondContact O-CD2 3.49Å; S688-Y735 PolarHBondContact OG-OH 3.44Å; L691-Y735 HydrophobicContact CD1-CD2 3.66Å; L691-Y735 HydrophobicContact CD1-CE2 4.06Å; L691-Y735 HydrophobicContact CD1-CG 4.36Å; L691-Y735 HydrophobicContact CG-CD2 4.39Å; M731-Y735 WeakPolarHBondContact O-CB 3.41Å; M731-Y735 PolarHBondContact O-N 2.78Å; L732-Y735 PolarHBondContact O-N 3.19Å; Y735-S737 PolarHBondContact O-N 3Å; Y735-K738 PolarHBondContact O-N 3.13Å; Y735-V739 HydrophobicContact CD1-CG2 3.87Å; Y735-V739 HydrophobicContact CE1-CG2 3.66Å; Y735-V739 WeakPolarHBondContact O-CB 3.01Å; Y735-V739 VanDerWaalsContact O-CG2 3.3Å; Y735-V739 WeakPolarHBondContact O-CG2 3.49Å; Y735-V739 PolarHBondContact O-N 3.17Å; Y735-V980 HydrophobicContact CE1-CG1 3.72Å; Y735-V980 WeakPolarHBondContact OH-CG1 3.36Å; Y735-I984 HydrophobicContact CD1-CD1 3.8Å; Y735-I984 HydrophobicContact CD1-CG1 4.13Å; Y735-I984 HydrophobicContact CE1-CD1 3.68Å; Y735-I984 HydrophobicContact CE1-CG1 3.82Å; Y735-H1295 PolarHBondContact OH-ND1 3.02Å; Y735-L1299 HydrophobicContact CD1-CD2 3.82Å; Y735-L1299 HydrophobicContact CD2-CD2 4.28Å; Y735-L1299 HydrophobicContact CE1-CD1 3.94Å; Y735-L1299 HydrophobicContact CE1-CD2 3.75Å; Y735-L1299 HydrophobicContact CE1-CG 4.21Å; Y735-L1299 HydrophobicContact CE2-CD2 4.23Å; Y735-L1299 HydrophobicContact CE2-CG 4.48Å; Y735-L1299 HydrophobicContact CG-CD2 4.12Å |
| 736 | S | 90.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 13% | 0.133 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | -176.2 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | L732 S733 I734 K740 | L732-S736 VanDerWaalsContact O-CB 3.3Å; L732-S736 WeakPolarHBondContact O-CB 3.47Å; L732-S736 PolarHBondContact O-N 2.86Å; S733-S736 PolarHBondContact O-N 3.22Å; I734-S736 PolarHBondContact O-N 3.3Å; S736-K740 VanDerWaalsContact O-CB 3.24Å; S736-K740 WeakPolarHBondContact O-CB 3.49Å; S736-K740 WeakPolarHBondContact O-CG 3.17Å; S736-K740 PolarHBondContact O-N 2.99Å |
| 737 | S | 90.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 6% | 0.063 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -49 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | S733 I734 Y735 V739 K740 E741 F1043 | S733-S737 WeakPolarHBondContact O-CB 3.43Å; S733-S737 PolarHBondContact O-N 2.99Å; I734-S737 PolarHBondContact O-N 3.49Å; Y735-S737 PolarHBondContact O-N 3Å; S737-V739 PolarHBondContact O-N 2.93Å; S737-K740 PolarHBondContact O-N 3.11Å; S737-E741 WeakPolarHBondContact O-CB 3.3Å; S737-E741 PolarHBondContact O-N 3.5Å; S737-F1043 PolarHBondContact OG-O 3.04Å |
| 738 | K | 92.6 | Very high | 91.9 | Very high | 42 Ų | 42 | 23.6 Ų | 23.6 | 18% | 0.183 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -59.7 | -44.7 | 178.4 | -76.7 | -171.5 | 166.6 | -164.7 | 0 | 112.3 | L687 I734 Y735 Q742 L743 | L687-K738 HydrophobicContact CD1-CB 4.01Å; L687-K738 HydrophobicContact CD2-CB 4.5Å; L687-K738 HydrophobicContact CD2-CD 3.77Å; I734-K738 HydrophobicContact CG2-CD 4.05Å; I734-K738 HydrophobicContact CG2-CG 4.44Å; I734-K738 WeakPolarHBondContact O-CB 2.94Å; I734-K738 WeakPolarHBondContact O-CG 3.25Å; I734-K738 PolarHBondContact O-N 3.03Å; Y735-K738 PolarHBondContact O-N 3.13Å; K738-Q742 WeakPolarHBondContact O-CA 3.2Å; K738-Q742 VanDerWaalsContact O-CB 3.31Å; K738-Q742 WeakPolarHBondContact O-CB 3.39Å; K738-Q742 PolarHBondContact O-N 2.87Å; K738-Q742 VanDerWaalsContact O-N 3.17Å; K738-L743 PolarHBondContact O-N 3.19Å |
| 739 | V | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -67.9 | -51.1 | 179.4 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | L684 L687 Y735 S737 L743 L744 V977 V980 I981 I984 | L684-V739 HydrophobicContact CD2-CG2 4.36Å; L687-V739 HydrophobicContact CD1-CG2 3.96Å; Y735-V739 HydrophobicContact CD1-CG2 3.87Å; Y735-V739 HydrophobicContact CE1-CG2 3.66Å; Y735-V739 WeakPolarHBondContact O-CB 3.01Å; Y735-V739 VanDerWaalsContact O-CG2 3.3Å; Y735-V739 WeakPolarHBondContact O-CG2 3.49Å; Y735-V739 PolarHBondContact O-N 3.17Å; S737-V739 PolarHBondContact O-N 2.93Å; V739-L743 HydrophobicContact CG2-CD1 4.33Å; V739-L744 PolarHBondContact O-N 3.42Å; V739-V977 HydrophobicContact CG1-CG1 3.98Å; V739-V980 HydrophobicContact CG1-CB 4.41Å; V739-V980 HydrophobicContact CG1-CG1 4.16Å; V739-V980 HydrophobicContact CG2-CG1 4.35Å; V739-I981 HydrophobicContact CG1-CD1 4.3Å; V739-I981 HydrophobicContact CG1-CG1 3.53Å; V739-I984 HydrophobicContact CB-CD1 4.08Å; V739-I984 HydrophobicContact CG1-CD1 4.04Å |
| 740 | K | 90.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 24.8 Ų | 24.8 | 22% | 0.222 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -75.8 | -36 | -172.5 | -67.4 | -180 | 174.2 | -178.9 | 0 | 113.3 | S736 S737 L744 I981 D985 | S736-K740 VanDerWaalsContact O-CB 3.24Å; S736-K740 WeakPolarHBondContact O-CB 3.49Å; S736-K740 WeakPolarHBondContact O-CG 3.17Å; S736-K740 PolarHBondContact O-N 2.99Å; S737-K740 PolarHBondContact O-N 3.11Å; K740-L744 WeakPolarHBondContact O-CB 3.36Å; K740-I981 HydrophobicContact CG-CD1 4.26Å; K740-I981 HydrophobicContact CG-CG1 4.1Å; K740-I981 HydrophobicContact CG-CG2 4.45Å; K740-D985 WeakPolarHBondContact CE-OD1 3.48Å; K740-D985 IonicContact NZ-OD1 3.48Å; K740-D985 PolarHBondContact NZ-OD1 2.81Å |
| 741 | E | 85.7 | Confident | 92.8 | Very high | 56 Ų | 56 | 26.2 Ų | 26.2 | 26% | 0.262 | 13% | 0.13 | S | C | . | . | I | π-helix | trans | -101.6 | -24.4 | -173.2 | -67.4 | -56.7 | 144.5 | 0 | 0 | 115 | S737 K745 | S737-E741 WeakPolarHBondContact O-CB 3.3Å; S737-E741 PolarHBondContact O-N 3.5Å; E741-K745 WeakPolarHBondContact O-CD 3.46Å; E741-K745 WeakPolarHBondContact O-CE 3.48Å; E741-K745 PolarHBondContact O-NZ 3.14Å; E741-K745 IonicContact OE2-NZ 2.74Å; E741-K745 PolarHBondContact OE2-NZ 3.28Å |
| 742 | Q | 90.5 | Very high | 92.8 | Very high | 63 Ų | 63 | 28.9 Ų | 28.9 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -110 | -64.8 | -179.4 | -57 | 179.1 | -3.9 | 0 | 0 | 111.7 | K738 L744 K745 L746 K747 | K738-Q742 WeakPolarHBondContact O-CA 3.2Å; K738-Q742 VanDerWaalsContact O-CB 3.31Å; K738-Q742 WeakPolarHBondContact O-CB 3.39Å; K738-Q742 PolarHBondContact O-N 2.87Å; K738-Q742 VanDerWaalsContact O-N 3.17Å; Q742-L744 VanDerWaalsContact C-N 3.33Å; Q742-L744 PolarHBondContact O-N 3.14Å; Q742-K745 CarbonylContact O-C 3.56Å; Q742-K745 WeakPolarHBondContact O-CA 3.41Å; Q742-K745 WeakPolarHBondContact O-CB 3.45Å; Q742-K745 PolarHBondContact O-N 3.35Å; Q742-L746 PolarHBondContact O-N 3.28Å; Q742-K747 HydrophobicContact CB-CB 4.14Å; Q742-K747 PolarHBondContact O-N 3.47Å |
| 743 | L | 94.4 | Very high | 93 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -66.3 | -31.6 | -173.4 | -62.4 | -179.8 | 0 | 0 | 0 | 113 | L680 L684 L687 K738 V739 K745 L746 I748 V977 | L680-L743 HydrophobicContact CD1-CD2 4.16Å; L684-L743 HydrophobicContact CD2-CD1 3.63Å; L684-L743 HydrophobicContact CG-CD1 4.13Å; L687-L743 HydrophobicContact CD1-CD1 4.28Å; K738-L743 PolarHBondContact O-N 3.19Å; V739-L743 HydrophobicContact CG2-CD1 4.33Å; L743-K745 PolarHBondContact O-N 3.2Å; L743-L746 VanDerWaalsContact O-CA 3.32Å; L743-L746 WeakPolarHBondContact O-CA 3.27Å; L743-L746 PolarHBondContact O-N 3.25Å; L743-I748 HydrophobicContact CD2-CG1 4.28Å; L743-V977 HydrophobicContact CB-CG1 4Å; L743-V977 HydrophobicContact CB-CG2 4.2Å |
| 744 | L | 92 | Very high | 93.4 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 28% | 0.277 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -59.9 | -33.9 | 173.4 | -177.2 | 59.9 | 0 | 0 | 0 | 111.7 | R651 V739 K740 Q742 L746 T974 V977 I981 | R651-L744 PolarHBondContact NH2-O 3.29Å; V739-L744 PolarHBondContact O-N 3.42Å; K740-L744 WeakPolarHBondContact O-CB 3.36Å; Q742-L744 VanDerWaalsContact C-N 3.33Å; Q742-L744 PolarHBondContact O-N 3.14Å; L744-L746 PolarHBondContact O-N 2.81Å; L744-T974 HydrophobicContact CD1-CG2 4.08Å; L744-V977 HydrophobicContact CB-CG1 4.44Å; L744-I981 HydrophobicContact CB-CD1 4.08Å; L744-I981 HydrophobicContact CD1-CD1 3.82Å; L744-I981 HydrophobicContact CD2-CD1 3.87Å; L744-I981 HydrophobicContact CG-CD1 4.13Å |
| 745 | K | 91.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 34.5 Ų | 34.5 | 35% | 0.352 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -86.6 | 7.2 | 174.7 | -59.1 | 175.9 | -165.8 | 138.7 | 0 | 112.2 | R651 E741 Q742 L743 K747 | R651-K745 WeakPolarHBondContact CG-O 3.49Å; E741-K745 WeakPolarHBondContact O-CD 3.46Å; E741-K745 WeakPolarHBondContact O-CE 3.48Å; E741-K745 PolarHBondContact O-NZ 3.14Å; E741-K745 IonicContact OE2-NZ 2.74Å; E741-K745 PolarHBondContact OE2-NZ 3.28Å; Q742-K745 CarbonylContact O-C 3.56Å; Q742-K745 WeakPolarHBondContact O-CA 3.41Å; Q742-K745 WeakPolarHBondContact O-CB 3.45Å; Q742-K745 PolarHBondContact O-N 3.35Å; L743-K745 PolarHBondContact O-N 3.2Å; K745-K747 HydrophobicContact CB-CG 4.44Å; K745-K747 PolarHBondContact O-N 3.42Å |
| 746 | L | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 34.7 | -172.9 | -52.2 | 176.4 | 0 | 0 | 0 | 113.3 | L649 N650 R651 I654 Q742 L743 L744 I748 P970 M973 | L649-L746 CarbonylContact C-O 3.44Å; N650-L746 WeakPolarHBondContact CA-O 3.33Å; R651-L746 HydrophobicContact CG-CB 4.05Å; R651-L746 HydrophobicContact CG-CD1 3.88Å; R651-L746 HydrophobicContact CG-CG 4.1Å; I654-L746 HydrophobicContact CD1-CB 3.76Å; I654-L746 HydrophobicContact CD1-CD1 4.19Å; Q742-L746 PolarHBondContact O-N 3.28Å; L743-L746 VanDerWaalsContact O-CA 3.32Å; L743-L746 WeakPolarHBondContact O-CA 3.27Å; L743-L746 PolarHBondContact O-N 3.25Å; L744-L746 PolarHBondContact O-N 2.81Å; L746-I748 VanDerWaalsContact C-N 3.29Å; L746-I748 HydrophobicContact CB-CD1 4.18Å; L746-I748 HydrophobicContact CB-CG1 4.46Å; L746-I748 HydrophobicContact CD2-CD1 4.34Å; L746-I748 PolarHBondContact O-N 3.18Å; L746-P970 HydrophobicContact CD1-CB 3.86Å; L746-M973 HydrophobicContact CD1-CB 4.28Å; L746-M973 HydrophobicContact CD2-CB 3.73Å |
| 747 | K | 95.3 | Very high | 94.1 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 24% | 0.243 | 17% | 0.171 | C | C | . | . | trans | -73.4 | 87 | 164.9 | -67.8 | -172 | 174.6 | -171.1 | 0 | 107.6 | L649 Q742 K745 D1057 | L649-K747 CarbonylContact O-C 3.58Å; L649-K747 VanDerWaalsContact O-CA 3.24Å; L649-K747 WeakPolarHBondContact O-CA 3.24Å; Q742-K747 HydrophobicContact CB-CB 4.14Å; Q742-K747 PolarHBondContact O-N 3.47Å; K745-K747 HydrophobicContact CB-CG 4.44Å; K745-K747 PolarHBondContact O-N 3.42Å; K747-D1057 IonicContact NZ-OD1 2.68Å; K747-D1057 PolarHBondContact NZ-OD1 3.13Å; K747-D1057 IonicContact NZ-OD2 3.25Å; K747-D1057 PolarHBondContact NZ-OD2 3.01Å | ||
| 748 | I | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 111.9 | -170.5 | -64.5 | 167.1 | 0 | 0 | 0 | 109 | N648 L649 I654 L679 L680 L743 L746 M973 | N648-I748 CarbonylContact C-O 3.49Å; N648-I748 WeakPolarHBondContact CA-O 3.41Å; N648-I748 VanDerWaalsContact CB-O 3.31Å; N648-I748 WeakPolarHBondContact CB-O 3.37Å; L649-I748 HydrophobicContact CB-CB 4.36Å; L649-I748 PolarHBondContact N-O 3.17Å; L649-I748 PolarHBondContact O-N 3.44Å; I654-I748 HydrophobicContact CD1-CD1 3.96Å; L679-I748 HydrophobicContact CB-CG2 3.87Å; L680-I748 HydrophobicContact CB-CD1 4.14Å; L680-I748 HydrophobicContact CD1-CD1 4.23Å; L680-I748 HydrophobicContact CD1-CG1 4.26Å; L743-I748 HydrophobicContact CD2-CG1 4.28Å; L746-I748 VanDerWaalsContact C-N 3.29Å; L746-I748 HydrophobicContact CB-CD1 4.18Å; L746-I748 HydrophobicContact CB-CG1 4.46Å; L746-I748 HydrophobicContact CD2-CD1 4.34Å; L746-I748 PolarHBondContact O-N 3.18Å; I748-M973 HydrophobicContact CD1-CE 3.18Å |
| 749 | D | 95.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 32.9 Ų | 32.9 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 137 | 178.7 | -65.3 | -26.3 | 0 | 0 | 0 | 112.2 | Q683 | Q683-D749 PolarHBondContact NE2-O 2.95Å; Q683-D749 VanDerWaalsContact OE1-N 3.15Å |
| 750 | V | 96.9 | Very high | 95 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.3 | 169.8 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | V647 L649 L679 T752 L754 F853 | V647-V750 HydrophobicContact CG1-CB 3.87Å; V647-V750 HydrophobicContact CG1-CG2 4.36Å; V647-V750 PolarHBondContact O-N 2.92Å; L649-V750 HydrophobicContact CD2-CG2 4.37Å; L649-V750 HydrophobicContact CG-CG2 4.02Å; L679-V750 HydrophobicContact CD1-CG2 4.21Å; V750-T752 PolarHBondContact O-N 3.35Å; V750-L754 HydrophobicContact CG1-CB 4.13Å; V750-F853 HydrophobicContact CB-CD1 4.4Å; V750-F853 HydrophobicContact CB-CE1 4.42Å; V750-F853 HydrophobicContact CG1-CD1 4.34Å; V750-F853 HydrophobicContact CG2-CD1 3.95Å; V750-F853 HydrophobicContact CG2-CE1 3.74Å |
| 751 | P | 95.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 20% | 0.195 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -49.3 | 135.5 | 177.2 | -30 | 33.6 | 0 | 0 | 0 | 112.2 | L679 H753 L754 G755 | L679-P751 HydrophobicContact CD2-CG 4.06Å; P751-H753 VanDerWaalsContact CB-CE1 3.44Å; P751-H753 WeakPolarHBondContact CB-CE1 3.43Å; P751-H753 PolarHBondContact O-N 3.19Å; P751-H753 VanDerWaalsContact O-N 3.1Å; P751-L754 HydrophobicContact CB-CB 4.5Å; P751-L754 HydrophobicContact CB-CD1 4.14Å; P751-L754 HydrophobicContact CB-CG 4.36Å; P751-L754 HydrophobicContact CG-CD1 4.21Å; P751-L754 WeakPolarHBondContact O-CA 3.31Å; P751-L754 PolarHBondContact O-N 3.03Å; P751-G755 PolarHBondContact O-N 3.4Å |
| 752 | T | 94.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 28.1 Ų | 28.1 | 34% | 0.344 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.6 | -171.7 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | V750 L754 R756 I781 | V750-T752 PolarHBondContact O-N 3.35Å; T752-L754 PolarHBondContact O-N 2.88Å; T752-R756 PolarHBondContact O-NH1 3.15Å; T752-R756 PolarHBondContact O-NH2 3.47Å; T752-I781 HydrophobicContact CG2-CD1 3.33Å; T752-I781 HydrophobicContact CG2-CG1 4.18Å |
| 753 | H | 94.8 | Very high | 96.3 | Very high | 119 Ų | 119 | 25.1 Ų | 25.1 | 55% | 0.551 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1 | 175.3 | 64.2 | -80.6 | 0 | 0 | 0 | 113.7 | P751 W854 | P751-H753 VanDerWaalsContact CB-CE1 3.44Å; P751-H753 WeakPolarHBondContact CB-CE1 3.43Å; P751-H753 PolarHBondContact O-N 3.19Å; P751-H753 VanDerWaalsContact O-N 3.1Å; H753-W854 PolarHBondContact O-NE1 3.34Å |
| 754 | L | 97.1 | Very high | 96.4 | Very high | 32 Ų | 32 | 27 Ų | 27 | 17% | 0.168 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -7.1 | -177.6 | -61.6 | 177.2 | 0 | 0 | 0 | 114.2 | R675 V750 P751 T752 W854 D855 | R675-L754 VanDerWaalsContact NH2-CD1 3.25Å; V750-L754 HydrophobicContact CG1-CB 4.13Å; P751-L754 HydrophobicContact CB-CB 4.5Å; P751-L754 HydrophobicContact CB-CD1 4.14Å; P751-L754 HydrophobicContact CB-CG 4.36Å; P751-L754 HydrophobicContact CG-CD1 4.21Å; P751-L754 WeakPolarHBondContact O-CA 3.31Å; P751-L754 PolarHBondContact O-N 3.03Å; T752-L754 PolarHBondContact O-N 2.88Å; L754-W854 VanDerWaalsContact C-CE2 3.47Å; L754-W854 VanDerWaalsContact CA-NE1 3.33Å; L754-W854 PolarHBondContact O-N 2.88Å; L754-D855 HydrophobicContact CB-CB 4.23Å |
| 755 | G | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 158.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V647 P751 A852 | V647-G755 VanDerWaalsContact CG1-C 3.45Å; P751-G755 PolarHBondContact O-N 3.4Å; G755-A852 CarbonylContact C-O 3.5Å; G755-A852 WeakPolarHBondContact CA-O 3.49Å |
| 756 | R | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.9 | -178.9 | -75.5 | -79.2 | 175.3 | -72.2 | -12.3 | 111.4 | C645 T752 L758 I777 S778 A852 W854 | C645-R756 VanDerWaalsContact O-CD 3.23Å; C645-R756 WeakPolarHBondContact O-CD 3.29Å; T752-R756 PolarHBondContact O-NH1 3.15Å; T752-R756 PolarHBondContact O-NH2 3.47Å; R756-L758 HydrophobicContact CB-CD1 4.24Å; R756-L758 HydrophobicContact CB-CD2 3.78Å; R756-L758 HydrophobicContact CB-CG 3.8Å; R756-L758 HydrophobicContact CG-CD2 4.41Å; R756-I777 HydrophobicContact CG-CG2 4.01Å; R756-S778 PolarHBondContact NH2-O 2.71Å; R756-A852 PolarHBondContact N-O 2.92Å; R756-A852 PolarHBondContact O-N 2.86Å; R756-W854 HydrophobicContact CB-CH2 4Å; R756-W854 HydrophobicContact CB-CZ3 4.37Å; R756-W854 HydrophobicContact CG-CH2 3.67Å; R756-W854 HydrophobicContact CG-CZ3 4.5Å |
| 757 | T | 97.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 12% | 0.123 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.7 | 160.7 | -55.2 | 0 | 0 | 0 | 0 | 107.9 | C645 P646 E849 Y850 L851 | C645-T757 WeakPolarHBondContact CB-O 3.23Å; C645-T757 PolarHBondContact O-N 3.11Å; P646-T757 PolarHBondContact O-OG1 3.42Å; T757-E849 HydrophobicContact CG2-CB 3.83Å; T757-E849 HydrophobicContact CG2-CG 4.45Å; T757-Y850 CarbonylContact C-O 3.46Å; T757-Y850 WeakPolarHBondContact CA-O 3.41Å; T757-L851 HydrophobicContact CG2-CD2 4.09Å |
| 758 | L | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.6 | -170.5 | -60.5 | 170.2 | 0 | 0 | 0 | 111 | R756 I775 I777 I826 Y850 A852 | R756-L758 HydrophobicContact CB-CD1 4.24Å; R756-L758 HydrophobicContact CB-CD2 3.78Å; R756-L758 HydrophobicContact CB-CG 3.8Å; R756-L758 HydrophobicContact CG-CD2 4.41Å; L758-I775 HydrophobicContact CD1-CD1 4.3Å; L758-I775 HydrophobicContact CD1-CG1 4.34Å; L758-I775 HydrophobicContact CD1-CG2 3.81Å; L758-I777 HydrophobicContact CD2-CG2 4.48Å; L758-I826 HydrophobicContact CB-CB 4.16Å; L758-I826 HydrophobicContact CB-CG2 3.98Å; L758-I826 HydrophobicContact CD1-CB 4.03Å; L758-Y850 PolarHBondContact N-O 3.13Å; L758-Y850 PolarHBondContact O-N 3.02Å; L758-A852 HydrophobicContact CD1-CB 4.12Å |
| 759 | F | 98 | Very high | 96.7 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 140 | 166.3 | -77.5 | -58.2 | 0 | 0 | 0 | 110.8 | M606 K640 V825 I826 G847 E849 | M606-F759 HydrophobicContact CE-CB 3.88Å; M606-F759 HydrophobicContact CE-CD1 4.06Å; M606-F759 HydrophobicContact CE-CD2 3.96Å; M606-F759 HydrophobicContact CE-CG 3.71Å; M606-F759 HydrophobicContact SD-CD1 4.33Å; K640-F759 HydrophobicContact CB-CE2 4.22Å; K640-F759 HydrophobicContact CB-CZ 3.82Å; K640-F759 HydrophobicContact CD-CZ 3.89Å; F759-V825 HydrophobicContact CB-CG1 4.47Å; F759-V825 WeakPolarHBondContact O-CA 3.32Å; F759-I826 WeakPolarHBondContact O-CG2 3.36Å; F759-I826 PolarHBondContact O-N 3.39Å; F759-G847 WeakPolarHBondContact CE1-O 3.42Å; F759-E849 HydrophobicContact CD1-CG 3.97Å; F759-E849 HydrophobicContact CE1-CG 3.63Å; F759-E849 HydrophobicContact CZ-CG 4.31Å |
| 760 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I826 D848 | G760-I826 WeakPolarHBondContact CA-O 3.35Å; G760-D848 PolarHBondContact N-O 3.23Å |
| 761 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 170 | 169.5 | 61 | 169.6 | 0 | 0 | 0 | 110.8 | V572 A595 A608 L822 V825 I826 V827 F828 | V572-I761 HydrophobicContact CG2-CB 4.37Å; V572-I761 HydrophobicContact CG2-CG2 4.42Å; A595-I761 HydrophobicContact CB-CG2 3.94Å; A608-I761 HydrophobicContact CB-CB 4.27Å; A608-I761 HydrophobicContact CB-CD1 3.93Å; A608-I761 HydrophobicContact CB-CG2 4.16Å; I761-L822 HydrophobicContact CD1-CD1 3.83Å; I761-L822 HydrophobicContact CD1-CD2 3.84Å; I761-L822 HydrophobicContact CD1-CG 4.28Å; I761-V825 HydrophobicContact CD1-CB 4.16Å; I761-V825 HydrophobicContact CD1-CG2 3.66Å; I761-V825 HydrophobicContact CG1-CB 4.25Å; I761-V825 HydrophobicContact CG1-CG2 4.16Å; I761-I826 PolarHBondContact N-O 3.08Å; I761-V827 HydrophobicContact CD1-CG2 4Å; I761-V827 HydrophobicContact CG1-CB 4.39Å; I761-V827 HydrophobicContact CG1-CG1 4.43Å; I761-V827 HydrophobicContact CG1-CG2 3.96Å; I761-V827 WeakPolarHBondContact O-CA 3.48Å; I761-F828 PolarHBondContact O-N 3.14Å |
| 762 | L | 97.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 141.9 | -177 | -173.9 | 66.3 | 0 | 0 | 0 | 112.6 | F568 V572 E764 R830 L845 | F568-L762 HydrophobicContact CB-CD1 4.36Å; F568-L762 WeakPolarHBondContact O-CD1 3.36Å; V572-L762 HydrophobicContact CG1-CB 3.76Å; L762-E764 PolarHBondContact O-N 3.5Å; L762-E764 VanDerWaalsContact O-N 3.1Å; L762-R830 HydrophobicContact CD1-CB 3.85Å; L762-R830 HydrophobicContact CD1-CG 4.48Å; L762-R830 HydrophobicContact CG-CB 4.29Å; L762-L845 HydrophobicContact CB-CD1 4.09Å |
| 763 | D | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -72.2 | 94.9 | 166.4 | 176.3 | 21.6 | 0 | 0 | 0 | 111.7 | T765 R766 T767 L768 V827 F828 R830 | D763-T765 PolarHBondContact O-N 2.96Å; D763-T765 WeakPolarHBondContact OD1-CA 3.3Å; D763-T765 WeakPolarHBondContact OD1-CB 3.29Å; D763-T765 PolarHBondContact OD1-N 3.4Å; D763-T765 PolarHBondContact OD1-OG1 3.35Å; D763-R766 PolarHBondContact OD1-N 2.74Å; D763-R766 WeakPolarHBondContact OD2-CA 3.42Å; D763-R766 PolarHBondContact OD2-N 3.29Å; D763-T767 PolarHBondContact OD2-N 2.64Å; D763-T767 PolarHBondContact OD2-OG1 3.37Å; D763-L768 HydrophobicContact CB-CD1 3.95Å; D763-L768 HydrophobicContact CB-CG 4.27Å; D763-L768 PolarHBondContact OD2-N 3.3Å; D763-V827 HydrophobicContact CB-CG1 3.75Å; D763-F828 WeakPolarHBondContact CB-O 3.21Å; D763-F828 PolarHBondContact N-O 2.84Å; D763-R830 WeakPolarHBondContact O-CB 3.33Å | ||
| 764 | E | 96.1 | Very high | 97 | Very high | 41 Ų | 41 | 28 Ų | 28 | 19% | 0.192 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.2 | 175.4 | -67.6 | -75.4 | -168.5 | 0 | 0 | 113.1 | H556 Q574 R622 L762 | H556-E764 IonicContact NE2-OE2 3.75Å; Q574-E764 HydrophobicContact CG-CG 4.15Å; Q574-E764 VanDerWaalsContact OE1-CD 3.24Å; Q574-E764 PolarHBondContact OE1-OE1 2.92Å; R622-E764 IonicContact CZ-OE1 2.75Å; R622-E764 IonicContact NE-OE1 3.82Å; R622-E764 VanDerWaalsContact NH2-CD 3.3Å; R622-E764 IonicContact NH2-OE1 3.95Å; R622-E764 PolarHBondContact NH2-OE1 3.19Å; R622-E764 IonicContact NH2-OE2 3.82Å; R622-E764 PolarHBondContact NH2-OE2 3.12Å; R622-E764 VanDerWaalsContact NH2-OE2 3.08Å; L762-E764 PolarHBondContact O-N 3.5Å; L762-E764 VanDerWaalsContact O-N 3.1Å |
| 765 | T | 95.2 | Very high | 97.1 | Very high | 34 Ų | 34 | 26.4 Ų | 26.4 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -14.7 | -177.5 | 74.2 | 0 | 0 | 0 | 0 | 113.8 | R612 D763 T767 L818 L819 | R612-T765 VanDerWaalsContact NH1-CG2 3.3Å; D763-T765 PolarHBondContact O-N 2.96Å; D763-T765 WeakPolarHBondContact OD1-CA 3.3Å; D763-T765 WeakPolarHBondContact OD1-CB 3.29Å; D763-T765 PolarHBondContact OD1-N 3.4Å; D763-T765 PolarHBondContact OD1-OG1 3.35Å; T765-T767 VanDerWaalsContact C-N 3.29Å; T765-T767 PolarHBondContact O-N 3.37Å; T765-T767 WeakPolarHBondContact OG1-CG2 3.11Å; T765-T767 PolarHBondContact OG1-OG1 2.89Å; T765-L818 HydrophobicContact CG2-CB 4.02Å; T765-L819 HydrophobicContact CG2-CD2 3.86Å |
| 766 | R | 94.7 | Very high | 97.1 | Very high | 146 Ų | 146 | 26.8 Ų | 26.8 | 55% | 0.551 | 14% | 0.141 | S | C | * | . | trans | 57.7 | 38.4 | -176.9 | -51.1 | -175.8 | -167.8 | 179.8 | 7.2 | 113.3 | D763 R830 I831 | D763-R766 PolarHBondContact OD1-N 2.74Å; D763-R766 WeakPolarHBondContact OD2-CA 3.42Å; D763-R766 PolarHBondContact OD2-N 3.29Å; R766-R830 VanDerWaalsContact NE-NH1 3.19Å; R766-I831 HydrophobicContact CB-CD1 4.2Å | ||
| 767 | T | 95.9 | Very high | 97 | Very high | 53 Ų | 53 | 27 Ų | 27 | 33% | 0.325 | 14% | 0.142 | S | C | . | . | trans | -97.7 | -24.4 | 179 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | D763 T765 T816 L818 | D763-T767 PolarHBondContact OD2-N 2.64Å; D763-T767 PolarHBondContact OD2-OG1 3.37Å; T765-T767 VanDerWaalsContact C-N 3.29Å; T765-T767 PolarHBondContact O-N 3.37Å; T765-T767 WeakPolarHBondContact OG1-CG2 3.11Å; T765-T767 PolarHBondContact OG1-OG1 2.89Å; T767-T816 HydrophobicContact CG2-CG2 4.12Å; T767-T816 WeakPolarHBondContact OG1-CG2 3.39Å; T767-L818 HydrophobicContact CG2-CD1 3.64Å; T767-L818 HydrophobicContact CG2-CG 4.4Å | ||
| 768 | L | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -82.8 | 131.9 | 179 | -59.5 | 177.8 | 0 | 0 | 0 | 111.6 | D763 E772 F774 V814 L819 V827 P829 | D763-L768 HydrophobicContact CB-CD1 3.95Å; D763-L768 HydrophobicContact CB-CG 4.27Å; D763-L768 PolarHBondContact OD2-N 3.3Å; L768-E772 HydrophobicContact CB-CB 4.3Å; L768-E772 HydrophobicContact CD2-CB 4.33Å; L768-F774 HydrophobicContact CD1-CB 4.17Å; L768-F774 HydrophobicContact CD2-CB 4.25Å; L768-V814 HydrophobicContact CD2-CG2 3.37Å; L768-L819 HydrophobicContact CD1-CD1 4.06Å; L768-L819 HydrophobicContact CD2-CD1 4.31Å; L768-L819 HydrophobicContact CG-CD1 4.08Å; L768-V827 HydrophobicContact CD1-CB 4.3Å; L768-V827 HydrophobicContact CD1-CG1 4.18Å; L768-V827 WeakPolarHBondContact CD1-O 3.35Å; L768-P829 HydrophobicContact CB-CB 3.77Å |
| 769 | A | 96.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 29 Ų | 29 | 31% | 0.314 | 15% | 0.154 | S | C | . | . | trans | -72.9 | 166.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | D771 E772 P829 | A769-D771 VanDerWaalsContact C-N 3.27Å; A769-D771 PolarHBondContact O-N 2.82Å; A769-E772 HydrophobicContact CB-CB 4.43Å; A769-E772 HydrophobicContact CB-CG 3.97Å; A769-E772 WeakPolarHBondContact CB-OE2 3.47Å; A769-E772 PolarHBondContact N-OE2 3.38Å; A769-E772 PolarHBondContact O-N 2.81Å; A769-P829 WeakPolarHBondContact O-CB 3.16Å; A769-P829 WeakPolarHBondContact O-CG 3.49Å | ||
| 770 | P | 93.2 | Very high | 96.3 | Very high | 57 Ų | 57 | 31.3 Ų | 31.3 | 37% | 0.37 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.9 | -171 | -28.9 | 35.4 | 0 | 0 | 0 | 117.6 | P829 I831 V836 | P770-P829 WeakPolarHBondContact O-CG 3.41Å; P770-I831 VanDerWaalsContact CA-O 3.32Å; P770-I831 WeakPolarHBondContact CA-O 3.47Å; P770-I831 HydrophobicContact CG-CG2 4.33Å; P770-I831 WeakPolarHBondContact CG-O 3.46Å; P770-V836 WeakPolarHBondContact O-CG2 3.45Å |
| 771 | D | 93.7 | Very high | 95.8 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 47% | 0.471 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 12.8 | 178.6 | -62.5 | -53.6 | 0 | 0 | 0 | 112.7 | A769 N812 | A769-D771 VanDerWaalsContact C-N 3.27Å; A769-D771 PolarHBondContact O-N 2.82Å; D771-N812 PolarHBondContact O-N 3.41Å |
| 772 | E | 97.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 39 Ų | 39 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.7 | 179.3 | -67.6 | 179.7 | 159.2 | 0 | 0 | 112.1 | L768 A769 N812 V814 P829 | L768-E772 HydrophobicContact CB-CB 4.3Å; L768-E772 HydrophobicContact CD2-CB 4.33Å; A769-E772 HydrophobicContact CB-CB 4.43Å; A769-E772 HydrophobicContact CB-CG 3.97Å; A769-E772 WeakPolarHBondContact CB-OE2 3.47Å; A769-E772 PolarHBondContact N-OE2 3.38Å; A769-E772 PolarHBondContact O-N 2.81Å; E772-N812 CarbonylContact C-O 3.57Å; E772-N812 WeakPolarHBondContact CA-O 3.46Å; E772-N812 HydrophobicContact CG-CB 4.48Å; E772-V814 HydrophobicContact CB-CG1 4.39Å; E772-V814 HydrophobicContact CB-CG2 4.06Å; E772-V814 HydrophobicContact CG-CG1 3.94Å; E772-V814 HydrophobicContact CG-CG2 4.38Å; E772-P829 VanDerWaalsContact O-CD 3.26Å; E772-P829 WeakPolarHBondContact O-CD 3.5Å; E772-P829 WeakPolarHBondContact O-CG 3.27Å |
| 773 | V | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 157.6 | 173.3 | -65.3 | 0 | 0 | 0 | 0 | 110.5 | I775 V795 L811 N812 A813 V814 I826 V827 F828 | V773-I775 HydrophobicContact CG2-CD1 4.21Å; V773-I775 HydrophobicContact CG2-CG1 4.37Å; V773-V795 HydrophobicContact CG2-CG2 3.71Å; V773-L811 HydrophobicContact CG1-CB 4.44Å; V773-L811 HydrophobicContact CG1-CD1 3.7Å; V773-L811 HydrophobicContact CG2-CB 4.39Å; V773-N812 PolarHBondContact N-O 3.41Å; V773-A813 HydrophobicContact CG2-CB 4.17Å; V773-A813 CarbonylContact O-C 3.57Å; V773-A813 VanDerWaalsContact O-CA 3.27Å; V773-A813 WeakPolarHBondContact O-CA 3.4Å; V773-V814 PolarHBondContact O-N 3.46Å; V773-I826 HydrophobicContact CB-CD1 4.33Å; V773-I826 HydrophobicContact CB-CG1 4.19Å; V773-I826 HydrophobicContact CG1-CD1 4.26Å; V773-I826 HydrophobicContact CG1-CG1 4.37Å; V773-I826 HydrophobicContact CG2-CD1 4.4Å; V773-V827 WeakPolarHBondContact CA-O 3.22Å; V773-F828 HydrophobicContact CG1-CD1 3.86Å; V773-F828 HydrophobicContact CG1-CE1 4.11Å |
| 774 | F | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.2 | 168 | 175.2 | -90.7 | 0 | 0 | 0 | 110.1 | L768 Q776 V790 V814 L819 M820 L822 V827 | L768-F774 HydrophobicContact CD1-CB 4.17Å; L768-F774 HydrophobicContact CD2-CB 4.25Å; F774-Q776 HydrophobicContact CE1-CB 3.77Å; F774-Q776 HydrophobicContact CZ-CB 3.73Å; F774-V790 HydrophobicContact CE2-CG1 4.07Å; F774-V814 WeakPolarHBondContact CD2-O 3.4Å; F774-L819 HydrophobicContact CB-CB 4.49Å; F774-L819 HydrophobicContact CB-CD1 3.69Å; F774-L819 HydrophobicContact CD1-CB 3.77Å; F774-L819 HydrophobicContact CD1-CD1 4.43Å; F774-L819 HydrophobicContact CD2-CB 4.1Å; F774-L819 HydrophobicContact CE1-CB 3.94Å; F774-L819 VanDerWaalsContact CE1-O 3.27Å; F774-L819 WeakPolarHBondContact CE1-O 3.3Å; F774-L819 HydrophobicContact CE2-CB 4.27Å; F774-L819 HydrophobicContact CG-CB 3.86Å; F774-L819 HydrophobicContact CG-CD1 3.99Å; F774-L819 HydrophobicContact CZ-CB 4.19Å; F774-M820 HydrophobicContact CE2-SD 4.02Å; F774-M820 HydrophobicContact CZ-SD 3.97Å; F774-L822 HydrophobicContact CE1-CB 4.46Å; F774-V827 HydrophobicContact CB-CB 4.04Å; F774-V827 HydrophobicContact CB-CG2 4.22Å; F774-V827 HydrophobicContact CD1-CG2 3.83Å; F774-V827 PolarHBondContact N-O 3.1Å; F774-V827 VanDerWaalsContact N-O 3.11Å; F774-V827 PolarHBondContact O-N 2.9Å |
| 775 | I | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 119.1 | 178.3 | -60.3 | 174.4 | 0 | 0 | 0 | 108.5 | L758 V773 I777 I791 V795 I826 A852 | L758-I775 HydrophobicContact CD1-CD1 4.3Å; L758-I775 HydrophobicContact CD1-CG1 4.34Å; L758-I775 HydrophobicContact CD1-CG2 3.81Å; V773-I775 HydrophobicContact CG2-CD1 4.21Å; V773-I775 HydrophobicContact CG2-CG1 4.37Å; I775-I777 HydrophobicContact CG2-CG2 3.76Å; I775-I791 HydrophobicContact CB-CB 4.17Å; I775-I791 HydrophobicContact CB-CG1 4.33Å; I775-I791 HydrophobicContact CG2-CB 4.22Å; I775-I791 HydrophobicContact CG2-CG1 3.83Å; I775-I791 PolarHBondContact O-N 2.97Å; I775-V795 HydrophobicContact CD1-CG2 4.49Å; I775-I826 HydrophobicContact CD1-CD1 3.91Å; I775-I826 HydrophobicContact CD1-CG1 4.11Å; I775-I826 HydrophobicContact CG1-CB 4.21Å; I775-I826 HydrophobicContact CG1-CD1 4.25Å; I775-I826 HydrophobicContact CG1-CG1 3.87Å; I775-A852 HydrophobicContact CD1-CB 4.27Å |
| 776 | Q | 98 | Very high | 93.5 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.1 | 169.4 | 175.8 | 177.8 | -112.5 | 0 | 0 | 108.5 | F774 L788 K789 V790 M820 L822 R823 D824 | F774-Q776 HydrophobicContact CE1-CB 3.77Å; F774-Q776 HydrophobicContact CZ-CB 3.73Å; Q776-L788 HydrophobicContact CG-CB 4.2Å; Q776-K789 WeakPolarHBondContact CA-O 3.37Å; Q776-V790 HydrophobicContact CB-CG2 4.37Å; Q776-V790 HydrophobicContact CG-CG2 4.25Å; Q776-M820 PolarHBondContact NE2-O 3.02Å; Q776-L822 WeakPolarHBondContact CB-O 3.46Å; Q776-L822 PolarHBondContact NE2-O 3.05Å; Q776-R823 CarbonylContact O-C 3.4Å; Q776-R823 WeakPolarHBondContact O-CA 3.32Å; Q776-D824 PolarHBondContact O-N 3.33Å |
| 777 | I | 97.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152 | -171.7 | 61.4 | 162.5 | 0 | 0 | 0 | 111.7 | R756 L758 I775 L788 K789 I791 D824 W854 | R756-I777 HydrophobicContact CG-CG2 4.01Å; L758-I777 HydrophobicContact CD2-CG2 4.48Å; I775-I777 HydrophobicContact CG2-CG2 3.76Å; I777-L788 CarbonylContact O-C 3.39Å; I777-L788 WeakPolarHBondContact O-CA 3.43Å; I777-K789 HydrophobicContact CG1-CB 4.33Å; I777-K789 PolarHBondContact N-O 3.15Å; I777-K789 PolarHBondContact O-N 3.17Å; I777-I791 HydrophobicContact CD1-CD1 4.08Å; I777-I791 HydrophobicContact CG1-CD1 4.22Å; I777-I791 HydrophobicContact CG1-CG1 4.48Å; I777-D824 WeakPolarHBondContact CA-OD1 3.27Å; I777-W854 HydrophobicContact CD1-CH2 3.89Å; I777-W854 HydrophobicContact CD1-CZ2 3.63Å; I777-W854 HydrophobicContact CG2-CH2 4.29Å |
| 778 | S | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 126.7 | 160.4 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | R756 D780 G785 D824 | R756-S778 PolarHBondContact NH2-O 2.71Å; S778-D780 PolarHBondContact O-N 3.1Å; S778-G785 WeakPolarHBondContact OG-CA 3.46Å; S778-G785 PolarHBondContact OG-N 3.35Å; S778-D824 PolarHBondContact N-OD1 2.97Å; S778-D824 PolarHBondContact OG-OD1 3.32Å; S778-D824 PolarHBondContact OG-OD2 2.97Å |
| 779 | T | 93.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -67 | -37.5 | -176.8 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | N787 K789 | T779-N787 WeakPolarHBondContact CB-O 3.45Å; T779-N787 WeakPolarHBondContact CG2-O 3.48Å; T779-N787 PolarHBondContact N-O 3.11Å; T779-N787 VanDerWaalsContact N-O 3.13Å; T779-N787 WeakPolarHBondContact OG1-CB 3.49Å; T779-N787 PolarHBondContact OG1-O 3.09Å; T779-K789 HydrophobicContact CG2-CB 3.87Å |
| 780 | D | 89.2 | Confident | 93.4 | Very high | 64 Ų | 64 | 51.1 Ų | 51.1 | 34% | 0.342 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -101 | 130.4 | 171.9 | -165.7 | -23.1 | 0 | 0 | 0 | 109.7 | S778 N782 E783 | S778-D780 PolarHBondContact O-N 3.1Å; D780-N782 PolarHBondContact O-N 2.89Å; D780-N782 PolarHBondContact OD1-N 2.9Å; D780-N782 PolarHBondContact OD1-ND2 3.21Å; D780-E783 HydrophobicContact CB-CB 4.21Å; D780-E783 HydrophobicContact CB-CG 4.34Å; D780-E783 PolarHBondContact O-N 3.28Å |
| 781 | I | 87.1 | Confident | 93.6 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.205 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.9 | 177.4 | -67.2 | -172.3 | 0 | 0 | 0 | 111.5 | P644 P646 T752 E783 | P644-I781 HydrophobicContact CB-CB 4.45Å; P644-I781 HydrophobicContact CB-CG1 4.26Å; P644-I781 WeakPolarHBondContact CG-O 3.26Å; P644-I781 WeakPolarHBondContact O-CG2 3.25Å; P646-I781 HydrophobicContact CB-CD1 3.99Å; P646-I781 HydrophobicContact CG-CD1 4.45Å; T752-I781 HydrophobicContact CG2-CD1 3.33Å; T752-I781 HydrophobicContact CG2-CG1 4.18Å; I781-E783 VanDerWaalsContact C-N 3.33Å |
| 782 | N | 83.8 | Confident | 93.8 | Very high | 121 Ų | 121 | 50.6 Ų | 50.6 | 65% | 0.647 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.9 | -179.6 | -52.6 | -67.8 | 0 | 0 | 0 | 112.9 | D780 P784 | D780-N782 PolarHBondContact O-N 2.89Å; D780-N782 PolarHBondContact OD1-N 2.9Å; D780-N782 PolarHBondContact OD1-ND2 3.21Å; N782-P784 VanDerWaalsContact C-CD 3.47Å; N782-P784 WeakPolarHBondContact O-CD 3.46Å |
| 783 | E | 86.3 | Confident | 93.8 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -123.9 | 70.6 | 178.2 | -58.4 | -166.6 | 156.1 | 0 | 0 | 111.8 | D780 I781 G785 K786 | D780-E783 HydrophobicContact CB-CB 4.21Å; D780-E783 HydrophobicContact CB-CG 4.34Å; D780-E783 PolarHBondContact O-N 3.28Å; I781-E783 VanDerWaalsContact C-N 3.33Å; E783-G785 PolarHBondContact O-N 2.79Å; E783-K786 HydrophobicContact CB-CB 4.14Å; E783-K786 HydrophobicContact CB-CD 4.2Å; E783-K786 HydrophobicContact CB-CG 4.43Å; E783-K786 PolarHBondContact O-N 3.03Å |
| 784 | P | 89 | Confident | 93.8 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 135.2 | 179.7 | -25 | 34 | 0 | 0 | 0 | 112.6 | P591 P644 N782 K786 | P591-P784 WeakPolarHBondContact CD-O 3.46Å; P591-P784 VanDerWaalsContact CG-O 3.24Å; P591-P784 WeakPolarHBondContact CG-O 3.37Å; P644-P784 HydrophobicContact CG-CB 4.25Å; P644-P784 HydrophobicContact CG-CG 4.05Å; N782-P784 VanDerWaalsContact C-CD 3.47Å; N782-P784 WeakPolarHBondContact O-CD 3.46Å; P784-K786 PolarHBondContact O-N 3.46Å |
| 785 | G | 89.3 | Confident | 93.7 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 6.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S778 E783 | S778-G785 WeakPolarHBondContact OG-CA 3.46Å; S778-G785 PolarHBondContact OG-N 3.35Å; E783-G785 PolarHBondContact O-N 2.79Å |
| 786 | K | 88.7 | Confident | 93.7 | Very high | 124 Ų | 124 | 52.1 Ų | 52.1 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -100.9 | 155.8 | 170.9 | -59.8 | -170.6 | -171.9 | 171.4 | 0 | 110.8 | E783 P784 L788 | E783-K786 HydrophobicContact CB-CB 4.14Å; E783-K786 HydrophobicContact CB-CD 4.2Å; E783-K786 HydrophobicContact CB-CG 4.43Å; E783-K786 PolarHBondContact O-N 3.03Å; P784-K786 PolarHBondContact O-N 3.46Å; K786-L788 PolarHBondContact O-N 3.31Å |
| 787 | N | 92.4 | Very high | 93.7 | Very high | 109 Ų | 109 | 51.7 Ų | 51.7 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 47.2 | 63.4 | 174.9 | -61.2 | -40.3 | 0 | 0 | 0 | 112 | T779 | T779-N787 WeakPolarHBondContact CB-O 3.45Å; T779-N787 WeakPolarHBondContact CG2-O 3.48Å; T779-N787 PolarHBondContact N-O 3.11Å; T779-N787 VanDerWaalsContact N-O 3.13Å; T779-N787 WeakPolarHBondContact OG1-CB 3.49Å; T779-N787 PolarHBondContact OG1-O 3.09Å |
| 788 | L | 95.5 | Very high | 93.7 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 37% | 0.372 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 143.8 | -173.3 | -60.9 | 176.2 | 0 | 0 | 0 | 111.9 | Q776 I777 K786 R823 | Q776-L788 HydrophobicContact CG-CB 4.2Å; I777-L788 CarbonylContact O-C 3.39Å; I777-L788 WeakPolarHBondContact O-CA 3.43Å; K786-L788 PolarHBondContact O-N 3.31Å; L788-R823 HydrophobicContact CD2-CB 4.14Å |
| 789 | K | 96.8 | Very high | 93.7 | Very high | 103 Ų | 103 | 53 Ų | 53 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.4 | 172.4 | -178.4 | -179.3 | 177.4 | -174.1 | 0 | 110 | Q776 I777 T779 I791 | Q776-K789 WeakPolarHBondContact CA-O 3.37Å; I777-K789 HydrophobicContact CG1-CB 4.33Å; I777-K789 PolarHBondContact N-O 3.15Å; I777-K789 PolarHBondContact O-N 3.17Å; T779-K789 HydrophobicContact CG2-CB 3.87Å; K789-I791 HydrophobicContact CD-CD1 4.27Å; K789-I791 HydrophobicContact CG-CD1 4.34Å |
| 790 | V | 98 | Very high | 93.6 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 134.1 | 168.6 | -175 | 0 | 0 | 0 | 0 | 108.5 | F774 Q776 E792 K815 M820 | F774-V790 HydrophobicContact CE2-CG1 4.07Å; Q776-V790 HydrophobicContact CB-CG2 4.37Å; Q776-V790 HydrophobicContact CG-CG2 4.25Å; V790-E792 HydrophobicContact CG1-CG 4.32Å; V790-K815 HydrophobicContact CG1-CB 3.99Å; V790-K815 HydrophobicContact CG1-CG 4.16Å; V790-M820 HydrophobicContact CG2-CE 3.75Å; V790-M820 HydrophobicContact CG2-SD 3.73Å |
| 791 | I | 98.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 133.2 | 175 | -53.2 | -55.8 | 0 | 0 | 0 | 108.1 | I775 I777 K789 V795 A813 W854 | I775-I791 HydrophobicContact CB-CB 4.17Å; I775-I791 HydrophobicContact CB-CG1 4.33Å; I775-I791 HydrophobicContact CG2-CB 4.22Å; I775-I791 HydrophobicContact CG2-CG1 3.83Å; I775-I791 PolarHBondContact O-N 2.97Å; I777-I791 HydrophobicContact CD1-CD1 4.08Å; I777-I791 HydrophobicContact CG1-CD1 4.22Å; I777-I791 HydrophobicContact CG1-CG1 4.48Å; K789-I791 HydrophobicContact CD-CD1 4.27Å; K789-I791 HydrophobicContact CG-CD1 4.34Å; I791-V795 HydrophobicContact CG2-CG1 3.95Å; I791-A813 HydrophobicContact CG2-CB 4.21Å; I791-A813 WeakPolarHBondContact O-CB 3.36Å; I791-W854 HydrophobicContact CD1-CD2 4.11Å; I791-W854 HydrophobicContact CD1-CH2 4.36Å; I791-W854 HydrophobicContact CD1-CZ2 3.86Å; I791-W854 HydrophobicContact CG1-CD2 4.19Å; I791-W854 HydrophobicContact CG1-CE3 4.23Å; I791-W854 HydrophobicContact CG1-CH2 4.25Å; I791-W854 HydrophobicContact CG1-CZ2 4.24Å; I791-W854 HydrophobicContact CG1-CZ3 4.26Å; I791-W854 HydrophobicContact CG2-CB 4.07Å; I791-W854 HydrophobicContact CG2-CD2 3.89Å; I791-W854 HydrophobicContact CG2-CE3 4.06Å; I791-W854 HydrophobicContact CG2-CG 3.89Å |
| 792 | E | 98 | Very high | 94.1 | Very high | 129 Ų | 129 | 51 Ų | 51 | 60% | 0.603 | 28% | 0.283 | S | S | * | . | trans | -132.4 | 145.7 | -179.7 | -64.6 | -178 | -120.4 | 0 | 0 | 109.5 | V790 A813 K815 | V790-E792 HydrophobicContact CG1-CG 4.32Å; E792-A813 CarbonylContact C-O 3.55Å; E792-A813 VanDerWaalsContact CA-O 3.29Å; E792-A813 WeakPolarHBondContact CA-O 3.29Å; E792-K815 HydrophobicContact CG-CB 4.09Å | ||
| 793 | G | 97.3 | Very high | 94.6 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.5 | -163.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V795 A813 | G793-V795 PolarHBondContact O-N 3.33Å; G793-A813 PolarHBondContact N-O 2.83Å; G793-A813 PolarHBondContact O-N 3.37Å |
| 794 | A | 97.4 | Very high | 95.1 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 47% | 0.471 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 131.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I810 L811 M859 | A794-I810 HydrophobicContact CB-CG2 4.38Å; A794-L811 CarbonylContact C-O 3.59Å; A794-L811 WeakPolarHBondContact CA-O 3.31Å; A794-M859 WeakPolarHBondContact O-CE 3.35Å |
| 795 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.3 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | V773 I775 I791 G793 V797 I810 L811 A813 F853 W854 | V773-V795 HydrophobicContact CG2-CG2 3.71Å; I775-V795 HydrophobicContact CD1-CG2 4.49Å; I791-V795 HydrophobicContact CG2-CG1 3.95Å; G793-V795 PolarHBondContact O-N 3.33Å; V795-V797 HydrophobicContact CB-CG2 4.46Å; V795-V797 HydrophobicContact CG2-CG2 3.95Å; V795-I810 CarbonylContact O-C 3.55Å; V795-I810 WeakPolarHBondContact O-CA 3.4Å; V795-L811 HydrophobicContact CG2-CB 4.01Å; V795-L811 PolarHBondContact N-O 3.16Å; V795-L811 PolarHBondContact O-N 3.32Å; V795-A813 HydrophobicContact CG1-CB 3.63Å; V795-A813 HydrophobicContact CG2-CB 4.21Å; V795-F853 CarbonylContact C-O 3.55Å; V795-F853 WeakPolarHBondContact CA-O 3.22Å; V795-W854 HydrophobicContact CG1-CB 4.07Å |
| 796 | M | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.8 | 170.1 | -178.9 | 178.3 | 71.5 | 0 | 0 | 108.9 | L657 V808 R809 I810 A852 F853 L858 M859 F860 | L657-M796 HydrophobicContact CD1-CE 4.31Å; L657-M796 HydrophobicContact CD2-CE 4.16Å; L657-M796 HydrophobicContact CD2-SD 3.6Å; L657-M796 VanDerWaalsContact CD2-SD 3.6Å; M796-V808 HydrophobicContact CG-CG1 3.58Å; M796-V808 HydrophobicContact SD-CG1 3.58Å; M796-V808 VanDerWaalsContact SD-CG1 3.58Å; M796-R809 CarbonylContact C-O 3.33Å; M796-R809 VanDerWaalsContact CA-O 3.31Å; M796-R809 WeakPolarHBondContact CA-O 3.11Å; M796-I810 HydrophobicContact CB-CD1 3.74Å; M796-I810 HydrophobicContact CG-CD1 3.95Å; M796-A852 CarbonylContact O-C 3.57Å; M796-A852 WeakPolarHBondContact O-CA 3.06Å; M796-F853 HydrophobicContact CB-CB 4.35Å; M796-F853 HydrophobicContact CB-CD2 4.48Å; M796-F853 HydrophobicContact CE-CB 4.06Å; M796-F853 HydrophobicContact CE-CD2 3.31Å; M796-F853 HydrophobicContact CE-CE2 3.84Å; M796-F853 HydrophobicContact CE-CG 3.76Å; M796-F853 HydrophobicContact CG-CD2 4.46Å; M796-F853 PolarHBondContact N-O 3.21Å; M796-F853 PolarHBondContact O-N 2.82Å; M796-L858 HydrophobicContact CE-CB 4.44Å; M796-M859 HydrophobicContact CB-CE 4.3Å; M796-M859 HydrophobicContact CB-SD 3.77Å; M796-F860 HydrophobicContact SD-CE1 4.13Å |
| 797 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137 | -178.8 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | V795 R809 L811 I826 F828 M840 Y850 L851 A852 | V795-V797 HydrophobicContact CB-CG2 4.46Å; V795-V797 HydrophobicContact CG2-CG2 3.95Å; V797-R809 PolarHBondContact N-O 3.32Å; V797-R809 PolarHBondContact O-N 2.98Å; V797-L811 HydrophobicContact CB-CD1 4.08Å; V797-L811 HydrophobicContact CG2-CD1 3.9Å; V797-I826 HydrophobicContact CG1-CD1 3.9Å; V797-I826 HydrophobicContact CG2-CD1 3.92Å; V797-F828 HydrophobicContact CG1-CZ 4.48Å; V797-M840 VanDerWaalsContact C-SD 3.59Å; V797-M840 HydrophobicContact CB-SD 4.02Å; V797-M840 HydrophobicContact CG1-CE 3.99Å; V797-M840 HydrophobicContact CG1-SD 3.71Å; V797-M840 VanDerWaalsContact O-SD 3.39Å; V797-Y850 HydrophobicContact CG1-CD1 4.35Å; V797-L851 WeakPolarHBondContact CA-O 3.25Å; V797-A852 HydrophobicContact CG2-CB 4.32Å |
| 798 | T | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | -179.4 | 173.1 | -169.2 | 0 | 0 | 0 | 0 | 110.4 | L653 D807 Y850 L851 F853 | L653-T798 HydrophobicContact CD1-CG2 4.09Å; L653-T798 HydrophobicContact CD2-CG2 4.17Å; T798-D807 WeakPolarHBondContact CB-O 3.48Å; T798-D807 PolarHBondContact OG1-O 3.2Å; T798-Y850 CarbonylContact O-C 3.56Å; T798-Y850 WeakPolarHBondContact O-CA 3.24Å; T798-L851 HydrophobicContact CG2-CB 3.98Å; T798-L851 HydrophobicContact CG2-CD1 4.22Å; T798-L851 HydrophobicContact CG2-CG 4.4Å; T798-L851 PolarHBondContact N-O 2.96Å; T798-L851 PolarHBondContact O-N 2.97Å; T798-F853 HydrophobicContact CG2-CE2 4.44Å |
| 799 | K | 94.7 | Very high | 96.4 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 14% | 0.135 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.1 | 173.2 | 173.1 | 176.7 | 174.8 | -175.3 | 0 | 109.5 | P801 C802 S843 D848 Y850 | K799-P801 CarbonylContact O-C 3.52Å; K799-P801 VanDerWaalsContact O-C 3.24Å; K799-C802 WeakPolarHBondContact O-CB 2.86Å; K799-C802 PolarHBondContact O-N 2.85Å; K799-C802 VanDerWaalsContact O-N 3.11Å; K799-S843 WeakPolarHBondContact CD-OG 3.34Å; K799-S843 PolarHBondContact NZ-OG 2.95Å; K799-D848 HydrophobicContact CD-CB 4.39Å; K799-D848 VanDerWaalsContact CE-OD1 3.24Å; K799-D848 WeakPolarHBondContact CE-OD1 3.27Å; K799-D848 IonicContact NZ-OD1 3.31Å; K799-D848 PolarHBondContact NZ-OD1 2.9Å; K799-D848 IonicContact NZ-OD2 3.92Å; K799-D848 PolarHBondContact NZ-OD2 2.9Å; K799-Y850 HydrophobicContact CB-CD1 4.47Å |
| 800 | S | 91.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 23.1 Ų | 23.1 | 36% | 0.364 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -95.8 | 132.4 | 167.5 | -71.4 | 0 | 0 | 0 | 0 | 111 | N650 L851 | N650-S800 PolarHBondContact ND2-OG 3.33Å; N650-S800 VanDerWaalsContact ND2-OG 3.08Å; S800-L851 WeakPolarHBondContact OG-CD1 3.36Å |
| 801 | P | 91.7 | Very high | 96.5 | Very high | 71 Ų | 71 | 22.1 Ų | 22.1 | 46% | 0.461 | 13% | 0.134 | S | C | . | . | S | Bend | cis | -76.9 | 135.3 | -1.7 | 31.8 | -33.4 | 0 | 0 | 0 | 112.7 | K799 | K799-P801 CarbonylContact O-C 3.52Å; K799-P801 VanDerWaalsContact O-C 3.24Å |
| 802 | C | 94.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -103.1 | 141.1 | 164.4 | 49.1 | 0 | 0 | 0 | 0 | 108.8 | P652 I656 K799 D807 | P652-C802 WeakPolarHBondContact CB-O 3.3Å; I656-C802 HydrophobicContact CD1-CB 3.91Å; K799-C802 WeakPolarHBondContact O-CB 2.86Å; K799-C802 PolarHBondContact O-N 2.85Å; K799-C802 VanDerWaalsContact O-N 3.11Å; C802-D807 HydrophobicContact CB-CB 3.85Å |
| 803 | I | 94.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 19 Ų | 19 | 10% | 0.097 | 12% | 0.122 | C | C | . | . | trans | -132.1 | -42.2 | -168.2 | -58.1 | -176 | 0 | 0 | 0 | 110.6 | D807 H906 A924 H927 | I803-D807 PolarHBondContact N-OD2 3.04Å; I803-H906 VanDerWaalsContact CG2-CE1 3.41Å; I803-H906 WeakPolarHBondContact CG2-CE1 3.32Å; I803-H906 VanDerWaalsContact CG2-NE2 3.32Å; I803-H906 WeakPolarHBondContact CG2-NE2 3.47Å; I803-H906 PolarHBondContact O-CE1 3.49Å; I803-H906 PolarHBondContact O-NE2 3.45Å; I803-A924 HydrophobicContact CG2-CB 3.75Å; I803-H927 HydrophobicContact CD1-CB 3.77Å; I803-H927 WeakPolarHBondContact CD1-CE1 3.26Å; I803-H927 WeakPolarHBondContact CD1-ND1 3.12Å | ||
| 804 | V | 96.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -113.1 | 158.7 | -178.9 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | G806 D807 L867 M921 A924 | V804-G806 PolarHBondContact O-N 2.84Å; V804-D807 WeakPolarHBondContact CG2-OD2 3.33Å; V804-D807 PolarHBondContact N-OD2 3.03Å; V804-D807 WeakPolarHBondContact O-CB 3.37Å; V804-D807 PolarHBondContact O-N 3.34Å; V804-L867 HydrophobicContact CG2-CB 4.15Å; V804-M921 HydrophobicContact CG1-CE 4.28Å; V804-M921 HydrophobicContact CG1-SD 3.85Å; V804-A924 HydrophobicContact CG1-CB 3.56Å |
| 805 | P | 96.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 5% | 0.045 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -52.3 | -38.8 | 177.1 | -31.8 | 39.6 | 0 | 0 | 0 | 114.3 | V660 D807 V808 Y864 I915 F916 | V660-P805 HydrophobicContact CG2-CB 3.72Å; V660-P805 HydrophobicContact CG2-CG 4.08Å; P805-D807 PolarHBondContact O-N 3.21Å; P805-V808 PolarHBondContact O-N 3.29Å; P805-V808 VanDerWaalsContact O-N 3.14Å; P805-Y864 HydrophobicContact CB-CD2 4.03Å; P805-Y864 HydrophobicContact CB-CG 3.91Å; P805-I915 HydrophobicContact CG-CD1 4.21Å; P805-I915 HydrophobicContact CG-CG1 4.39Å; P805-I915 HydrophobicContact CG-CG2 3.87Å; P805-F916 HydrophobicContact CB-CE1 3.97Å; P805-F916 HydrophobicContact CB-CZ 4.21Å; P805-F916 HydrophobicContact CG-CD1 4.13Å; P805-F916 HydrophobicContact CG-CE1 3.49Å; P805-F916 VanDerWaalsContact CG-CE1 3.49Å; P805-F916 HydrophobicContact CG-CZ 3.71Å |
| 806 | G | 95.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -63.9 | -16.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V804 V808 R809 | V804-G806 PolarHBondContact O-N 2.84Å; G806-V808 PolarHBondContact O-N 3.27Å; G806-R809 VanDerWaalsContact O-CD 3.27Å; G806-R809 WeakPolarHBondContact O-CD 3.3Å |
| 807 | D | 96.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -74.6 | -12.4 | 176.3 | -61.8 | -29.5 | 0 | 0 | 0 | 112.8 | T798 C802 I803 V804 P805 A841 | T798-D807 WeakPolarHBondContact CB-O 3.48Å; T798-D807 PolarHBondContact OG1-O 3.2Å; C802-D807 HydrophobicContact CB-CB 3.85Å; I803-D807 PolarHBondContact N-OD2 3.04Å; V804-D807 WeakPolarHBondContact CG2-OD2 3.33Å; V804-D807 PolarHBondContact N-OD2 3.03Å; V804-D807 WeakPolarHBondContact O-CB 3.37Å; V804-D807 PolarHBondContact O-N 3.34Å; P805-D807 PolarHBondContact O-N 3.21Å; D807-A841 VanDerWaalsContact OD1-CA 3.32Å; D807-A841 WeakPolarHBondContact OD1-CA 3.48Å; D807-A841 PolarHBondContact OD1-N 3Å |
| 808 | V | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -109 | 120.6 | 177.2 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | L653 I656 M796 P805 G806 F860 | L653-V808 HydrophobicContact CD1-CG1 4.47Å; L653-V808 HydrophobicContact CD1-CG2 3.73Å; I656-V808 HydrophobicContact CD1-CG2 4.39Å; I656-V808 HydrophobicContact CG2-CG2 3.78Å; M796-V808 HydrophobicContact CG-CG1 3.58Å; M796-V808 HydrophobicContact SD-CG1 3.58Å; M796-V808 VanDerWaalsContact SD-CG1 3.58Å; P805-V808 PolarHBondContact O-N 3.29Å; P805-V808 VanDerWaalsContact O-N 3.14Å; G806-V808 PolarHBondContact O-N 3.27Å; V808-F860 HydrophobicContact CB-CE1 4.4Å; V808-F860 HydrophobicContact CB-CZ 4.11Å; V808-F860 HydrophobicContact CG1-CE1 3.74Å; V808-F860 HydrophobicContact CG1-CZ 3.74Å |
| 809 | R | 97.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.1 | -171.2 | -57.1 | -64 | -63.5 | -173.6 | 0.8 | 111.1 | M796 V797 G806 L811 M840 N863 Y864 | M796-R809 CarbonylContact C-O 3.33Å; M796-R809 VanDerWaalsContact CA-O 3.31Å; M796-R809 WeakPolarHBondContact CA-O 3.11Å; V797-R809 PolarHBondContact N-O 3.32Å; V797-R809 PolarHBondContact O-N 2.98Å; G806-R809 VanDerWaalsContact O-CD 3.27Å; G806-R809 WeakPolarHBondContact O-CD 3.3Å; R809-L811 HydrophobicContact CB-CD2 4.31Å; R809-L811 HydrophobicContact CB-CG 4.26Å; R809-M840 HydrophobicContact CB-CG 4.44Å; R809-M840 HydrophobicContact CB-SD 4.39Å; R809-M840 HydrophobicContact CG-CG 3.54Å; R809-M840 HydrophobicContact CG-SD 4.1Å; R809-N863 VanDerWaalsContact CA-OD1 3.28Å; R809-N863 WeakPolarHBondContact CA-OD1 3.43Å; R809-N863 VanDerWaalsContact CZ-CB 3.48Å; R809-N863 PolarHBondContact NH2-ND2 2.95Å; R809-Y864 PolarHBondContact NH1-O 2.8Å |
| 810 | I | 97.5 | Very high | 96.2 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 14% | 0.138 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 120.2 | 164 | -50.2 | -59.7 | 0 | 0 | 0 | 107.8 | A794 V795 M796 M859 F860 N863 | A794-I810 HydrophobicContact CB-CG2 4.38Å; V795-I810 CarbonylContact O-C 3.55Å; V795-I810 WeakPolarHBondContact O-CA 3.4Å; M796-I810 HydrophobicContact CB-CD1 3.74Å; M796-I810 HydrophobicContact CG-CD1 3.95Å; I810-M859 HydrophobicContact CD1-SD 3.84Å; I810-F860 HydrophobicContact CD1-CD1 4.32Å; I810-F860 HydrophobicContact CD1-CD2 4.11Å; I810-F860 HydrophobicContact CD1-CE1 4.14Å; I810-F860 HydrophobicContact CD1-CE2 3.95Å; I810-F860 HydrophobicContact CD1-CG 4.32Å; I810-F860 HydrophobicContact CD1-CZ 3.96Å; I810-F860 HydrophobicContact CG1-CD2 3.62Å; I810-F860 HydrophobicContact CG1-CE2 3.45Å; I810-F860 VanDerWaalsContact CG1-CE2 3.45Å; I810-F860 HydrophobicContact CG1-CG 4.27Å; I810-F860 HydrophobicContact CG1-CZ 3.95Å; I810-N863 PolarHBondContact N-OD1 3.01Å; I810-N863 PolarHBondContact O-ND2 2.97Å |
| 811 | L | 97.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 170.3 | -180 | -56 | 172.4 | 0 | 0 | 0 | 109.5 | V773 A794 V795 V797 R809 F828 V836 | V773-L811 HydrophobicContact CG1-CB 4.44Å; V773-L811 HydrophobicContact CG1-CD1 3.7Å; V773-L811 HydrophobicContact CG2-CB 4.39Å; A794-L811 CarbonylContact C-O 3.59Å; A794-L811 WeakPolarHBondContact CA-O 3.31Å; V795-L811 HydrophobicContact CG2-CB 4.01Å; V795-L811 PolarHBondContact N-O 3.16Å; V795-L811 PolarHBondContact O-N 3.32Å; V797-L811 HydrophobicContact CB-CD1 4.08Å; V797-L811 HydrophobicContact CG2-CD1 3.9Å; R809-L811 HydrophobicContact CB-CD2 4.31Å; R809-L811 HydrophobicContact CB-CG 4.26Å; L811-F828 HydrophobicContact CD1-CE1 4.43Å; L811-V836 HydrophobicContact CD1-CG1 3.55Å; L811-V836 HydrophobicContact CD2-CG1 3.74Å; L811-V836 HydrophobicContact CG-CG1 4.28Å |
| 812 | N | 97.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 31.2 Ų | 31.2 | 36% | 0.358 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 113.3 | 176.2 | -171.7 | 48 | 0 | 0 | 0 | 110.8 | D771 E772 V773 V814 | D771-N812 PolarHBondContact O-N 3.41Å; E772-N812 CarbonylContact C-O 3.57Å; E772-N812 WeakPolarHBondContact CA-O 3.46Å; E772-N812 HydrophobicContact CG-CB 4.48Å; V773-N812 PolarHBondContact N-O 3.41Å; N812-V814 VanDerWaalsContact ND2-CG1 3.26Å; N812-V814 WeakPolarHBondContact ND2-CG1 3.28Å |
| 813 | A | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 129.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | V773 I791 E792 G793 V795 | V773-A813 HydrophobicContact CG2-CB 4.17Å; V773-A813 CarbonylContact O-C 3.57Å; V773-A813 VanDerWaalsContact O-CA 3.27Å; V773-A813 WeakPolarHBondContact O-CA 3.4Å; I791-A813 HydrophobicContact CG2-CB 4.21Å; I791-A813 WeakPolarHBondContact O-CB 3.36Å; E792-A813 CarbonylContact C-O 3.55Å; E792-A813 VanDerWaalsContact CA-O 3.29Å; E792-A813 WeakPolarHBondContact CA-O 3.29Å; G793-A813 PolarHBondContact N-O 2.83Å; G793-A813 PolarHBondContact O-N 3.37Å; V795-A813 HydrophobicContact CG1-CB 3.63Å; V795-A813 HydrophobicContact CG2-CB 4.21Å |
| 814 | V | 98.2 | Very high | 96.9 | Very high | 24 Ų | 24 | 33 Ų | 33 | 15% | 0.145 | 16% | 0.164 | C | C | . | . | trans | -126.2 | 148.7 | -179.5 | -61.2 | 0 | 0 | 0 | 0 | 111 | L768 E772 V773 F774 N812 | L768-V814 HydrophobicContact CD2-CG2 3.37Å; E772-V814 HydrophobicContact CB-CG1 4.39Å; E772-V814 HydrophobicContact CB-CG2 4.06Å; E772-V814 HydrophobicContact CG-CG1 3.94Å; E772-V814 HydrophobicContact CG-CG2 4.38Å; V773-V814 PolarHBondContact O-N 3.46Å; F774-V814 WeakPolarHBondContact CD2-O 3.4Å; N812-V814 VanDerWaalsContact ND2-CG1 3.26Å; N812-V814 WeakPolarHBondContact ND2-CG1 3.28Å | ||
| 815 | K | 97.6 | Very high | 97 | Very high | 110 Ų | 110 | 32.8 Ų | 32.8 | 48% | 0.478 | 16% | 0.163 | S | C | . | . | trans | -85.1 | 127.3 | 172.8 | 179.2 | -178.8 | 175 | -172.6 | 0 | 110.3 | V790 E792 | V790-K815 HydrophobicContact CG1-CB 3.99Å; V790-K815 HydrophobicContact CG1-CG 4.16Å; E792-K815 HydrophobicContact CG-CB 4.09Å | ||
| 816 | T | 95.3 | Very high | 97.1 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | trans | -135.1 | 121 | 174.7 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | T767 L818 L819 | T767-T816 HydrophobicContact CG2-CG2 4.12Å; T767-T816 WeakPolarHBondContact OG1-CG2 3.39Å; T816-L818 HydrophobicContact CG2-CB 4.08Å; T816-L818 HydrophobicContact CG2-CG 4.45Å; T816-L818 PolarHBondContact O-N 2.9Å; T816-L818 VanDerWaalsContact O-N 3.14Å; T816-L819 HydrophobicContact CG2-CG 4.41Å; T816-L819 PolarHBondContact O-N 3.29Å | ||
| 817 | D | 95.3 | Very high | 97.3 | Very high | 127 Ų | 127 | 32.4 Ų | 32.4 | 68% | 0.679 | 16% | 0.16 | S | C | * | . | G | 310 helix | trans | -58.4 | -31.3 | -178.4 | -67.9 | -25.1 | 0 | 0 | 0 | 112.9 | L819 M820 | D817-L819 PolarHBondContact O-N 3.43Å; D817-M820 PolarHBondContact O-N 3.17Å |
| 818 | L | 96.2 | Very high | 97.3 | Very high | 73 Ų | 73 | 32.2 Ų | 32.2 | 38% | 0.382 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -68.8 | -17.4 | 180 | -55.8 | -170 | 0 | 0 | 0 | 113.9 | R612 T765 T767 T816 H821 | R612-L818 PolarHBondContact NH1-O 3.41Å; R612-L818 PolarHBondContact NH2-O 3.39Å; T765-L818 HydrophobicContact CG2-CB 4.02Å; T767-L818 HydrophobicContact CG2-CD1 3.64Å; T767-L818 HydrophobicContact CG2-CG 4.4Å; T816-L818 HydrophobicContact CG2-CB 4.08Å; T816-L818 HydrophobicContact CG2-CG 4.45Å; T816-L818 PolarHBondContact O-N 2.9Å; T816-L818 VanDerWaalsContact O-N 3.14Å; L818-H821 PolarHBondContact O-CE1 3.49Å; L818-H821 VanDerWaalsContact O-CE1 3.29Å; L818-H821 PolarHBondContact O-ND1 3.33Å |
| 819 | L | 97.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -109.3 | -1.3 | -176.6 | -61.5 | 177.8 | 0 | 0 | 0 | 113.5 | T765 L768 F774 T816 D817 H821 L822 V827 | T765-L819 HydrophobicContact CG2-CD2 3.86Å; L768-L819 HydrophobicContact CD1-CD1 4.06Å; L768-L819 HydrophobicContact CD2-CD1 4.31Å; L768-L819 HydrophobicContact CG-CD1 4.08Å; F774-L819 HydrophobicContact CB-CB 4.49Å; F774-L819 HydrophobicContact CB-CD1 3.69Å; F774-L819 HydrophobicContact CD1-CB 3.77Å; F774-L819 HydrophobicContact CD1-CD1 4.43Å; F774-L819 HydrophobicContact CD2-CB 4.1Å; F774-L819 HydrophobicContact CE1-CB 3.94Å; F774-L819 VanDerWaalsContact CE1-O 3.27Å; F774-L819 WeakPolarHBondContact CE1-O 3.3Å; F774-L819 HydrophobicContact CE2-CB 4.27Å; F774-L819 HydrophobicContact CG-CB 3.86Å; F774-L819 HydrophobicContact CG-CD1 3.99Å; F774-L819 HydrophobicContact CZ-CB 4.19Å; T816-L819 HydrophobicContact CG2-CG 4.41Å; T816-L819 PolarHBondContact O-N 3.29Å; D817-L819 PolarHBondContact O-N 3.43Å; L819-H821 PolarHBondContact O-N 2.98Å; L819-L822 HydrophobicContact CB-CD1 4.45Å; L819-L822 HydrophobicContact CD2-CD1 3.94Å; L819-L822 WeakPolarHBondContact O-CB 3.35Å; L819-L822 PolarHBondContact O-N 2.86Å; L819-V827 HydrophobicContact CD1-CG1 4.18Å |
| 820 | M | 96.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 32% | 0.32 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -13.9 | -175.5 | -69.2 | -65.1 | -64.1 | 0 | 0 | 115.6 | F774 Q776 V790 D817 L822 | F774-M820 HydrophobicContact CE2-SD 4.02Å; F774-M820 HydrophobicContact CZ-SD 3.97Å; Q776-M820 PolarHBondContact NE2-O 3.02Å; V790-M820 HydrophobicContact CG2-CE 3.75Å; V790-M820 HydrophobicContact CG2-SD 3.73Å; D817-M820 PolarHBondContact O-N 3.17Å; M820-L822 VanDerWaalsContact C-N 3.28Å |
| 821 | H | 95.7 | Very high | 97 | Very high | 63 Ų | 63 | 36 Ų | 36 | 29% | 0.292 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.8 | 174 | 63.5 | -77.6 | 0 | 0 | 0 | 113.1 | S594 V609 P611 L818 L819 | S594-H821 PolarHBondContact OG-O 3.26Å; V609-H821 PolarHBondContact O-CD2 2.97Å; V609-H821 PolarHBondContact O-NE2 2.87Å; P611-H821 WeakPolarHBondContact CD-CD2 3.11Å; P611-H821 VanDerWaalsContact CD-NE2 3.31Å; P611-H821 WeakPolarHBondContact CD-NE2 3.32Å; P611-H821 HydrophobicContact CG-CB 4.28Å; L818-H821 PolarHBondContact O-CE1 3.49Å; L818-H821 VanDerWaalsContact O-CE1 3.29Å; L818-H821 PolarHBondContact O-ND1 3.33Å; L819-H821 PolarHBondContact O-N 2.98Å |
| 822 | L | 97.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | trans | -93.4 | 128.7 | 179.9 | -59.6 | 167.5 | 0 | 0 | 0 | 109.5 | I761 F774 Q776 L819 M820 V825 V827 | I761-L822 HydrophobicContact CD1-CD1 3.83Å; I761-L822 HydrophobicContact CD1-CD2 3.84Å; I761-L822 HydrophobicContact CD1-CG 4.28Å; F774-L822 HydrophobicContact CE1-CB 4.46Å; Q776-L822 WeakPolarHBondContact CB-O 3.46Å; Q776-L822 PolarHBondContact NE2-O 3.05Å; L819-L822 HydrophobicContact CB-CD1 4.45Å; L819-L822 HydrophobicContact CD2-CD1 3.94Å; L819-L822 WeakPolarHBondContact O-CB 3.35Å; L819-L822 PolarHBondContact O-N 2.86Å; M820-L822 VanDerWaalsContact C-N 3.28Å; L822-V825 HydrophobicContact CB-CG2 3.97Å; L822-V827 HydrophobicContact CB-CG2 4.44Å; L822-V827 HydrophobicContact CD1-CG2 3.77Å | ||
| 823 | R | 96.5 | Very high | 96.5 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | trans | -137.9 | 151.9 | 179.6 | 53.3 | 168.5 | 175.6 | -129.2 | -9.4 | 110.9 | V592 S594 Q776 L788 V825 | V592-R823 PolarHBondContact O-NH2 3.05Å; S594-R823 WeakPolarHBondContact CB-O 3.41Å; S594-R823 VanDerWaalsContact OG-CG 3.22Å; S594-R823 WeakPolarHBondContact OG-CG 3.25Å; S594-R823 PolarHBondContact OG-N 3.19Å; S594-R823 PolarHBondContact OG-O 2.64Å; Q776-R823 CarbonylContact O-C 3.4Å; Q776-R823 WeakPolarHBondContact O-CA 3.32Å; L788-R823 HydrophobicContact CD2-CB 4.14Å; R823-V825 PolarHBondContact O-N 3.5Å | ||
| 824 | D | 97.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 53.8 | 37.2 | 178.8 | -56.6 | -51.9 | 0 | 0 | 0 | 113 | Q776 I777 S778 | Q776-D824 PolarHBondContact O-N 3.33Å; I777-D824 WeakPolarHBondContact CA-OD1 3.27Å; S778-D824 PolarHBondContact N-OD1 2.97Å; S778-D824 PolarHBondContact OG-OD1 3.32Å; S778-D824 PolarHBondContact OG-OD2 2.97Å |
| 825 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 158.7 | 175.5 | -66 | 0 | 0 | 0 | 0 | 109.3 | A595 F759 I761 L822 R823 V827 | A595-V825 HydrophobicContact CB-CG1 3.95Å; F759-V825 HydrophobicContact CB-CG1 4.47Å; F759-V825 WeakPolarHBondContact O-CA 3.32Å; I761-V825 HydrophobicContact CD1-CB 4.16Å; I761-V825 HydrophobicContact CD1-CG2 3.66Å; I761-V825 HydrophobicContact CG1-CB 4.25Å; I761-V825 HydrophobicContact CG1-CG2 4.16Å; L822-V825 HydrophobicContact CB-CG2 3.97Å; R823-V825 PolarHBondContact O-N 3.5Å; V825-V827 HydrophobicContact CG2-CG2 4.38Å |
| 826 | I | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.6 | 167 | -177.8 | 168.1 | 0 | 0 | 0 | 108.7 | L758 F759 G760 I761 V773 I775 V797 F828 Y850 | L758-I826 HydrophobicContact CB-CB 4.16Å; L758-I826 HydrophobicContact CB-CG2 3.98Å; L758-I826 HydrophobicContact CD1-CB 4.03Å; F759-I826 WeakPolarHBondContact O-CG2 3.36Å; F759-I826 PolarHBondContact O-N 3.39Å; G760-I826 WeakPolarHBondContact CA-O 3.35Å; I761-I826 PolarHBondContact N-O 3.08Å; V773-I826 HydrophobicContact CB-CD1 4.33Å; V773-I826 HydrophobicContact CB-CG1 4.19Å; V773-I826 HydrophobicContact CG1-CD1 4.26Å; V773-I826 HydrophobicContact CG1-CG1 4.37Å; V773-I826 HydrophobicContact CG2-CD1 4.4Å; I775-I826 HydrophobicContact CD1-CD1 3.91Å; I775-I826 HydrophobicContact CD1-CG1 4.11Å; I775-I826 HydrophobicContact CG1-CB 4.21Å; I775-I826 HydrophobicContact CG1-CD1 4.25Å; I775-I826 HydrophobicContact CG1-CG1 3.87Å; V797-I826 HydrophobicContact CG1-CD1 3.9Å; V797-I826 HydrophobicContact CG2-CD1 3.92Å; I826-F828 HydrophobicContact CD1-CE1 3.87Å; I826-F828 HydrophobicContact CD1-CZ 3.78Å; I826-F828 HydrophobicContact CG1-CE1 4.2Å; I826-F828 HydrophobicContact CG1-CE2 4.35Å; I826-F828 HydrophobicContact CG1-CZ 4.03Å; I826-F828 HydrophobicContact CG2-CE2 3.7Å; I826-F828 HydrophobicContact CG2-CZ 3.87Å; I826-Y850 HydrophobicContact CG2-CD2 4.03Å; I826-Y850 HydrophobicContact CG2-CG 4.27Å |
| 827 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119.8 | 179.1 | -167.5 | 0 | 0 | 0 | 0 | 108.7 | I761 D763 L768 V773 F774 L819 L822 V825 | I761-V827 HydrophobicContact CD1-CG2 4Å; I761-V827 HydrophobicContact CG1-CB 4.39Å; I761-V827 HydrophobicContact CG1-CG1 4.43Å; I761-V827 HydrophobicContact CG1-CG2 3.96Å; I761-V827 WeakPolarHBondContact O-CA 3.48Å; D763-V827 HydrophobicContact CB-CG1 3.75Å; L768-V827 HydrophobicContact CD1-CB 4.3Å; L768-V827 HydrophobicContact CD1-CG1 4.18Å; L768-V827 WeakPolarHBondContact CD1-O 3.35Å; V773-V827 WeakPolarHBondContact CA-O 3.22Å; F774-V827 HydrophobicContact CB-CB 4.04Å; F774-V827 HydrophobicContact CB-CG2 4.22Å; F774-V827 HydrophobicContact CD1-CG2 3.83Å; F774-V827 PolarHBondContact N-O 3.1Å; F774-V827 VanDerWaalsContact N-O 3.11Å; F774-V827 PolarHBondContact O-N 2.9Å; L819-V827 HydrophobicContact CD1-CG1 4.18Å; L822-V827 HydrophobicContact CB-CG2 4.44Å; L822-V827 HydrophobicContact CD1-CG2 3.77Å; V825-V827 HydrophobicContact CG2-CG2 4.38Å |
| 828 | F | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 149.9 | 178.5 | -69.5 | -70.1 | 0 | 0 | 0 | 111.7 | I761 D763 V773 V797 L811 I826 V836 M840 L845 Y850 | I761-F828 PolarHBondContact O-N 3.14Å; D763-F828 WeakPolarHBondContact CB-O 3.21Å; D763-F828 PolarHBondContact N-O 2.84Å; V773-F828 HydrophobicContact CG1-CD1 3.86Å; V773-F828 HydrophobicContact CG1-CE1 4.11Å; V797-F828 HydrophobicContact CG1-CZ 4.48Å; L811-F828 HydrophobicContact CD1-CE1 4.43Å; I826-F828 HydrophobicContact CD1-CE1 3.87Å; I826-F828 HydrophobicContact CD1-CZ 3.78Å; I826-F828 HydrophobicContact CG1-CE1 4.2Å; I826-F828 HydrophobicContact CG1-CE2 4.35Å; I826-F828 HydrophobicContact CG1-CZ 4.03Å; I826-F828 HydrophobicContact CG2-CE2 3.7Å; I826-F828 HydrophobicContact CG2-CZ 3.87Å; F828-V836 HydrophobicContact CD1-CB 4.05Å; F828-V836 HydrophobicContact CD1-CG1 4.17Å; F828-V836 HydrophobicContact CE1-CB 4.47Å; F828-V836 HydrophobicContact CE1-CG1 4.14Å; F828-M840 HydrophobicContact CE1-CE 3.83Å; F828-M840 HydrophobicContact CZ-CE 3.81Å; F828-L845 HydrophobicContact CD2-CD2 3.73Å; F828-L845 HydrophobicContact CE2-CD2 4.17Å; F828-Y850 HydrophobicContact CE2-CD1 4.24Å; F828-Y850 AromaticContact CE2-CD2 3.85Å; F828-Y850 HydrophobicContact CE2-CD2 3.85Å; F828-Y850 HydrophobicContact CE2-CE1 4.06Å; F828-Y850 AromaticContact CE2-CE2 3.69Å; F828-Y850 HydrophobicContact CE2-CE2 3.69Å; F828-Y850 HydrophobicContact CE2-CG 4.13Å; F828-Y850 AromaticContact CE2-CZ 3.78Å; F828-Y850 AromaticContact CZ-CD1 3.83Å; F828-Y850 HydrophobicContact CZ-CD1 3.83Å; F828-Y850 HydrophobicContact CZ-CD2 4.16Å; F828-Y850 AromaticContact CZ-CE1 3.91Å; F828-Y850 HydrophobicContact CZ-CE1 3.91Å; F828-Y850 HydrophobicContact CZ-CE2 4.26Å; F828-Y850 AromaticContact CZ-CG 3.95Å; F828-Y850 HydrophobicContact CZ-CG 3.95Å |
| 829 | P | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 143.6 | -178.5 | 29.1 | -31.4 | 0 | 0 | 0 | 110.4 | F568 L768 A769 P770 E772 I831 V836 | F568-P829 WeakPolarHBondContact CD1-O 3.46Å; L768-P829 HydrophobicContact CB-CB 3.77Å; A769-P829 WeakPolarHBondContact O-CB 3.16Å; A769-P829 WeakPolarHBondContact O-CG 3.49Å; P770-P829 WeakPolarHBondContact O-CG 3.41Å; E772-P829 VanDerWaalsContact O-CD 3.26Å; E772-P829 WeakPolarHBondContact O-CD 3.5Å; E772-P829 WeakPolarHBondContact O-CG 3.27Å; P829-I831 VanDerWaalsContact C-N 3.34Å; P829-V836 HydrophobicContact CG-CG2 3.97Å |
| 830 | R | 94.8 | Very high | 96 | Very high | 48 Ų | 48 | 26.5 Ų | 26.5 | 18% | 0.181 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -83.3 | -14.1 | 170.5 | 176.4 | 174.8 | 162.2 | -178.4 | 5.1 | 112.7 | H556 F568 L762 D763 R766 | H556-R830 HydrophobicContact CB-CG 4.33Å; H556-R830 PolarHBondContact CD2-NE 2.84Å; H556-R830 PolarHBondContact CE1-NH1 3.21Å; H556-R830 PolarHBondContact CE1-NH2 3.48Å; H556-R830 PolarHBondContact ND1-NH2 2.73Å; H556-R830 PolarHBondContact NE2-NH1 2.61Å; F568-R830 WeakPolarHBondContact CD1-O 3.4Å; L762-R830 HydrophobicContact CD1-CB 3.85Å; L762-R830 HydrophobicContact CD1-CG 4.48Å; L762-R830 HydrophobicContact CG-CB 4.29Å; D763-R830 WeakPolarHBondContact O-CB 3.33Å; R766-R830 VanDerWaalsContact NE-NH1 3.19Å |
| 831 | I | 92.5 | Very high | 95.8 | Very high | 79 Ų | 79 | 24.8 Ų | 24.8 | 41% | 0.405 | 13% | 0.128 | S | C | . | . | trans | -100.6 | 132.3 | -174 | -57.5 | 170.2 | 0 | 0 | 0 | 108.8 | R766 P770 P829 | R766-I831 HydrophobicContact CB-CD1 4.2Å; P770-I831 VanDerWaalsContact CA-O 3.32Å; P770-I831 WeakPolarHBondContact CA-O 3.47Å; P770-I831 HydrophobicContact CG-CG2 4.33Å; P770-I831 WeakPolarHBondContact CG-O 3.46Å; P829-I831 VanDerWaalsContact C-N 3.34Å | ||
| 832 | G | 92.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 23.2 Ų | 23.2 | 28% | 0.278 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 154.8 | 175.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S558 F568 | S558-G832 WeakPolarHBondContact CB-O 3.49Å; F568-G832 VanDerWaalsContact CZ-O 3.29Å; F568-G832 WeakPolarHBondContact CZ-O 3.28Å |
| 833 | L | 92.6 | Very high | 95.5 | Very high | 101 Ų | 101 | 23.1 Ų | 23.1 | 53% | 0.529 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -84 | -48.2 | 173 | -178.9 | 62.5 | 0 | 0 | 0 | 111.7 | S558 L560 F566 | S558-L833 WeakPolarHBondContact CB-O 3.31Å; S558-L833 PolarHBondContact OG-O 2.81Å; L560-L833 HydrophobicContact CB-CD1 4.45Å; L560-L833 HydrophobicContact CD1-CD1 4.2Å; F566-L833 WeakPolarHBondContact CD2-O 3.48Å |
| 834 | R | 94.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 22.5 Ų | 22.5 | 19% | 0.185 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -123 | 124.3 | 178.9 | -174.6 | 174.2 | -178.1 | -176.7 | -4.5 | 109.4 | F566 D838 Q839 L867 | F566-R834 HydrophobicContact CD1-CG 4.17Å; F566-R834 HydrophobicContact CD2-CB 4.13Å; F566-R834 HydrophobicContact CD2-CG 4.2Å; F566-R834 HydrophobicContact CE1-CG 4.03Å; F566-R834 HydrophobicContact CE2-CB 4.12Å; F566-R834 HydrophobicContact CE2-CG 4.06Å; F566-R834 HydrophobicContact CG-CG 4.27Å; F566-R834 HydrophobicContact CZ-CG 3.98Å; R834-D838 IonicContact CZ-OD2 3.04Å; R834-D838 IonicContact NE-OD2 3.62Å; R834-D838 PolarHBondContact NE-OD2 2.81Å; R834-D838 PolarHBondContact NH2-O 3.03Å; R834-D838 IonicContact NH2-OD2 2.7Å; R834-D838 PolarHBondContact NH2-OD2 3.18Å; R834-Q839 HydrophobicContact CG-CG 4.03Å; R834-Q839 PolarHBondContact O-NE2 3.32Å; R834-L867 PolarHBondContact NH1-O 3.16Å; R834-L867 PolarHBondContact NH2-O 2.7Å |
| 835 | P | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | trans | -57.5 | 139 | -179.2 | -16.3 | 21.9 | 0 | 0 | 0 | 112.1 | F566 C567 F568 M837 D838 Q839 | F566-P835 HydrophobicContact CB-CG 3.87Å; C567-P835 VanDerWaalsContact O-CG 3.27Å; C567-P835 WeakPolarHBondContact O-CG 3.5Å; F568-P835 HydrophobicContact CD1-CB 3.92Å; F568-P835 HydrophobicContact CD1-CG 4.06Å; F568-P835 HydrophobicContact CD2-CG 3.75Å; F568-P835 HydrophobicContact CE1-CB 3.98Å; F568-P835 HydrophobicContact CE1-CG 4.1Å; F568-P835 HydrophobicContact CE2-CB 4.48Å; F568-P835 HydrophobicContact CE2-CG 3.72Å; F568-P835 HydrophobicContact CG-CB 4.21Å; F568-P835 HydrophobicContact CG-CG 3.9Å; F568-P835 HydrophobicContact CZ-CB 4.24Å; F568-P835 HydrophobicContact CZ-CG 3.91Å; P835-M837 VanDerWaalsContact C-N 3.29Å; P835-M837 HydrophobicContact CB-CE 3.42Å; P835-M837 VanDerWaalsContact CB-CE 3.42Å; P835-M837 HydrophobicContact CB-CG 4.37Å; P835-M837 HydrophobicContact CB-SD 3.35Å; P835-M837 WeakPolarHBondContact CB-SD 3.44Å; P835-M837 HydrophobicContact CG-CE 4.23Å; P835-M837 PolarHBondContact O-N 2.83Å; P835-D838 HydrophobicContact CB-CB 4.31Å; P835-D838 HydrophobicContact CG-CB 4.45Å; P835-D838 PolarHBondContact O-N 3.35Å; P835-D838 VanDerWaalsContact O-N 3.13Å; P835-Q839 WeakPolarHBondContact O-CG 3.36Å; P835-Q839 PolarHBondContact O-N 3.38Å | ||
| 836 | V | 95.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -37 | -175.6 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | P770 L811 F828 P829 Q839 M840 | P770-V836 WeakPolarHBondContact O-CG2 3.45Å; L811-V836 HydrophobicContact CD1-CG1 3.55Å; L811-V836 HydrophobicContact CD2-CG1 3.74Å; L811-V836 HydrophobicContact CG-CG1 4.28Å; F828-V836 HydrophobicContact CD1-CB 4.05Å; F828-V836 HydrophobicContact CD1-CG1 4.17Å; F828-V836 HydrophobicContact CE1-CB 4.47Å; F828-V836 HydrophobicContact CE1-CG1 4.14Å; P829-V836 HydrophobicContact CG-CG2 3.97Å; V836-Q839 WeakPolarHBondContact O-CB 3.48Å; V836-Q839 PolarHBondContact O-N 3.24Å; V836-M840 HydrophobicContact CG1-CE 4.16Å |
| 837 | M | 95.2 | Very high | 95 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.02 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 175.1 | 58.4 | -71.6 | -165.3 | 0 | 0 | 113.5 | F568 P835 Q839 M840 S843 L845 Y850 | F568-M837 WeakPolarHBondContact O-CE 3.26Å; P835-M837 VanDerWaalsContact C-N 3.29Å; P835-M837 HydrophobicContact CB-CE 3.42Å; P835-M837 VanDerWaalsContact CB-CE 3.42Å; P835-M837 HydrophobicContact CB-CG 4.37Å; P835-M837 HydrophobicContact CB-SD 3.35Å; P835-M837 WeakPolarHBondContact CB-SD 3.44Å; P835-M837 HydrophobicContact CG-CE 4.23Å; P835-M837 PolarHBondContact O-N 2.83Å; M837-Q839 PolarHBondContact O-N 2.91Å; M837-M840 CarbonylContact O-C 3.51Å; M837-M840 PolarHBondContact O-N 3.5Å; M837-S843 CarbonylContact C-O 3.51Å; M837-S843 WeakPolarHBondContact CG-O 2.96Å; M837-S843 WeakPolarHBondContact O-CB 3.23Å; M837-S843 PolarHBondContact O-N 2.75Å; M837-L845 HydrophobicContact CB-CD2 4.44Å; M837-L845 HydrophobicContact CE-CD1 3.81Å; M837-L845 HydrophobicContact CE-CG 4Å; M837-L845 HydrophobicContact CG-CD2 4.2Å; M837-L845 HydrophobicContact CG-CG 4.32Å; M837-L845 HydrophobicContact SD-CD2 4.48Å; M837-L845 HydrophobicContact SD-CG 4.49Å; M837-Y850 HydrophobicContact CB-CE1 4.12Å; M837-Y850 WeakPolarHBondContact CB-OH 3.2Å |
| 838 | D | 95 | Very high | 94.8 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 17% | 0.171 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -27.7 | 178.5 | 179.6 | 89.5 | 0 | 0 | 0 | 111.5 | R834 P835 M840 G842 S843 | R834-D838 IonicContact CZ-OD2 3.04Å; R834-D838 IonicContact NE-OD2 3.62Å; R834-D838 PolarHBondContact NE-OD2 2.81Å; R834-D838 PolarHBondContact NH2-O 3.03Å; R834-D838 IonicContact NH2-OD2 2.7Å; R834-D838 PolarHBondContact NH2-OD2 3.18Å; P835-D838 HydrophobicContact CB-CB 4.31Å; P835-D838 HydrophobicContact CG-CB 4.45Å; P835-D838 PolarHBondContact O-N 3.35Å; P835-D838 VanDerWaalsContact O-N 3.13Å; D838-M840 VanDerWaalsContact C-N 3.27Å; D838-M840 PolarHBondContact O-N 3.05Å; D838-G842 WeakPolarHBondContact O-CA 3.47Å; D838-G842 PolarHBondContact O-N 3.32Å; D838-S843 PolarHBondContact N-O 3.32Å |
| 839 | Q | 95.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.4 | -24.5 | 173.9 | -56.1 | 176.1 | 31.8 | 0 | 0 | 112.5 | R834 P835 V836 M837 P866 | R834-Q839 HydrophobicContact CG-CG 4.03Å; R834-Q839 PolarHBondContact O-NE2 3.32Å; P835-Q839 WeakPolarHBondContact O-CG 3.36Å; P835-Q839 PolarHBondContact O-N 3.38Å; V836-Q839 WeakPolarHBondContact O-CB 3.48Å; V836-Q839 PolarHBondContact O-N 3.24Å; M837-Q839 PolarHBondContact O-N 2.91Å; Q839-P866 HydrophobicContact CB-CB 3.73Å; Q839-P866 HydrophobicContact CB-CG 3.97Å; Q839-P866 HydrophobicContact CG-CB 4.24Å; Q839-P866 HydrophobicContact CG-CG 3.93Å; Q839-P866 WeakPolarHBondContact O-CB 3.46Å |
| 840 | M | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 87.6 | 179.1 | -66 | -178.8 | -71.8 | 0 | 0 | 110.7 | V797 R809 F828 V836 M837 D838 G842 S843 Y850 | V797-M840 VanDerWaalsContact C-SD 3.59Å; V797-M840 HydrophobicContact CB-SD 4.02Å; V797-M840 HydrophobicContact CG1-CE 3.99Å; V797-M840 HydrophobicContact CG1-SD 3.71Å; V797-M840 VanDerWaalsContact O-SD 3.39Å; R809-M840 HydrophobicContact CB-CG 4.44Å; R809-M840 HydrophobicContact CB-SD 4.39Å; R809-M840 HydrophobicContact CG-CG 3.54Å; R809-M840 HydrophobicContact CG-SD 4.1Å; F828-M840 HydrophobicContact CE1-CE 3.83Å; F828-M840 HydrophobicContact CZ-CE 3.81Å; V836-M840 HydrophobicContact CG1-CE 4.16Å; M837-M840 CarbonylContact O-C 3.51Å; M837-M840 PolarHBondContact O-N 3.5Å; D838-M840 VanDerWaalsContact C-N 3.27Å; D838-M840 PolarHBondContact O-N 3.05Å; M840-G842 VanDerWaalsContact C-N 3.26Å; M840-G842 PolarHBondContact O-N 2.99Å; M840-S843 VanDerWaalsContact O-CB 3.25Å; M840-S843 WeakPolarHBondContact O-CB 3.25Å; M840-S843 PolarHBondContact O-N 3.27Å; M840-Y850 HydrophobicContact CE-CD1 3.63Å; M840-Y850 HydrophobicContact CE-CE1 3.59Å; M840-Y850 HydrophobicContact SD-CD1 4.32Å |
| 841 | A | 92.7 | Very high | 94.8 | Very high | 29 Ų | 29 | 27.3 Ų | 27.3 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 31.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D807 S843 F869 | D807-A841 VanDerWaalsContact OD1-CA 3.32Å; D807-A841 WeakPolarHBondContact OD1-CA 3.48Å; D807-A841 PolarHBondContact OD1-N 3Å; A841-S843 VanDerWaalsContact C-N 3.31Å; A841-S843 PolarHBondContact O-N 2.89Å; A841-F869 VanDerWaalsContact C-CZ 3.42Å |
| 842 | G | 92.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 23.5 Ų | 23.5 | 31% | 0.309 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 32.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D838 M840 F869 | D838-G842 WeakPolarHBondContact O-CA 3.47Å; D838-G842 PolarHBondContact O-N 3.32Å; M840-G842 VanDerWaalsContact C-N 3.26Å; M840-G842 PolarHBondContact O-N 2.99Å; G842-F869 VanDerWaalsContact N-CZ 3.26Å |
| 843 | S | 94.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | trans | -73.8 | 154.3 | -173.1 | -161.6 | 0 | 0 | 0 | 0 | 113.4 | K799 M837 D838 M840 A841 D848 Y850 | K799-S843 WeakPolarHBondContact CD-OG 3.34Å; K799-S843 PolarHBondContact NZ-OG 2.95Å; M837-S843 CarbonylContact C-O 3.51Å; M837-S843 WeakPolarHBondContact CG-O 2.96Å; M837-S843 WeakPolarHBondContact O-CB 3.23Å; M837-S843 PolarHBondContact O-N 2.75Å; D838-S843 PolarHBondContact N-O 3.32Å; M840-S843 VanDerWaalsContact O-CB 3.25Å; M840-S843 WeakPolarHBondContact O-CB 3.25Å; M840-S843 PolarHBondContact O-N 3.27Å; A841-S843 VanDerWaalsContact C-N 3.31Å; A841-S843 PolarHBondContact O-N 2.89Å; S843-D848 WeakPolarHBondContact OG-CB 3.46Å; S843-D848 PolarHBondContact OG-OD2 2.92Å; S843-Y850 PolarHBondContact OG-OH 2.8Å | ||
| 844 | D | 94.4 | Very high | 95.6 | Very high | 38 Ų | 38 | 18.9 Ų | 18.9 | 20% | 0.203 | 11% | 0.106 | C | C | . | . | trans | -121.1 | -169.4 | 174.1 | 67.7 | 35 | 0 | 0 | 0 | 111.3 | D570 D846 D848 Y850 | D570-D844 HydrophobicContact CB-CB 4.39Å; D844-D846 VanDerWaalsContact OD1-CB 3.25Å; D844-D846 WeakPolarHBondContact OD1-CB 3.41Å; D844-D846 PolarHBondContact OD1-N 2.86Å; D844-D848 PolarHBondContact N-OD2 2.79Å; D844-Y850 PolarHBondContact O-OH 2.82Å | ||
| 845 | L | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -111.2 | 27.8 | 179.3 | -56.1 | 175.6 | 0 | 0 | 0 | 111.9 | D570 G571 V572 M606 L762 F828 M837 G847 Y850 | D570-L845 WeakPolarHBondContact O-CB 3.47Å; D570-L845 PolarHBondContact O-N 3.05Å; G571-L845 CarbonylContact C-O 3.5Å; G571-L845 VanDerWaalsContact O-O 3.05Å; V572-L845 HydrophobicContact CB-CB 3.77Å; V572-L845 HydrophobicContact CB-CD1 4.37Å; V572-L845 HydrophobicContact CG1-CB 3.82Å; V572-L845 HydrophobicContact CG1-CD1 3.59Å; V572-L845 HydrophobicContact CG1-CG 4.35Å; M606-L845 WeakPolarHBondContact CB-O 3.28Å; M606-L845 WeakPolarHBondContact CG-O 3.14Å; L762-L845 HydrophobicContact CB-CD1 4.09Å; F828-L845 HydrophobicContact CD2-CD2 3.73Å; F828-L845 HydrophobicContact CE2-CD2 4.17Å; M837-L845 HydrophobicContact CB-CD2 4.44Å; M837-L845 HydrophobicContact CE-CD1 3.81Å; M837-L845 HydrophobicContact CE-CG 4Å; M837-L845 HydrophobicContact CG-CD2 4.2Å; M837-L845 HydrophobicContact CG-CG 4.32Å; M837-L845 HydrophobicContact SD-CD2 4.48Å; M837-L845 HydrophobicContact SD-CG 4.49Å; L845-G847 PolarHBondContact O-N 2.83Å; L845-Y850 HydrophobicContact CD2-CE2 4.44Å |
| 846 | D | 94.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 22.3 Ų | 22.3 | 12% | 0.123 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -85.3 | 12.3 | -177.6 | 90 | 23.5 | 0 | 0 | 0 | 115.1 | Q597 K604 D844 | Q597-D846 PolarHBondContact NE2-O 3.26Å; K604-D846 WeakPolarHBondContact CE-OD1 3.45Å; K604-D846 VanDerWaalsContact CE-OD2 3.27Å; K604-D846 WeakPolarHBondContact CE-OD2 3.37Å; K604-D846 IonicContact NZ-OD1 3.6Å; K604-D846 PolarHBondContact NZ-OD1 2.91Å; K604-D846 IonicContact NZ-OD2 3.38Å; K604-D846 PolarHBondContact NZ-OD2 3Å; D844-D846 VanDerWaalsContact OD1-CB 3.25Å; D844-D846 WeakPolarHBondContact OD1-CB 3.41Å; D844-D846 PolarHBondContact OD1-N 2.86Å |
| 847 | G | 93.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 114.2 | 27.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M606 F759 L845 | M606-G847 WeakPolarHBondContact SD-CA 3.47Å; F759-G847 WeakPolarHBondContact CE1-O 3.42Å; L845-G847 PolarHBondContact O-N 2.83Å |
| 848 | D | 95.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 24.5 Ų | 24.5 | 17% | 0.166 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 137 | 168.3 | -76.9 | -37.3 | 0 | 0 | 0 | 111.4 | G760 K799 S843 D844 Y850 | G760-D848 PolarHBondContact N-O 3.23Å; K799-D848 HydrophobicContact CD-CB 4.39Å; K799-D848 VanDerWaalsContact CE-OD1 3.24Å; K799-D848 WeakPolarHBondContact CE-OD1 3.27Å; K799-D848 IonicContact NZ-OD1 3.31Å; K799-D848 PolarHBondContact NZ-OD1 2.9Å; K799-D848 IonicContact NZ-OD2 3.92Å; K799-D848 PolarHBondContact NZ-OD2 2.9Å; S843-D848 WeakPolarHBondContact OG-CB 3.46Å; S843-D848 PolarHBondContact OG-OD2 2.92Å; D844-D848 PolarHBondContact N-OD2 2.79Å; D848-Y850 HydrophobicContact CB-CE2 3.91Å; D848-Y850 WeakPolarHBondContact O-CE2 3.45Å |
| 849 | E | 95.3 | Very high | 95.4 | Very high | 78 Ų | 78 | 24.4 Ų | 24.4 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.6 | 178.3 | -68.8 | 176.1 | -170.7 | 0 | 0 | 109.1 | K640 T757 F759 | K640-E849 IonicContact NZ-OE1 3.15Å; K640-E849 PolarHBondContact NZ-OE1 2.84Å; T757-E849 HydrophobicContact CG2-CB 3.83Å; T757-E849 HydrophobicContact CG2-CG 4.45Å; F759-E849 HydrophobicContact CD1-CG 3.97Å; F759-E849 HydrophobicContact CE1-CG 3.63Å; F759-E849 HydrophobicContact CZ-CG 4.31Å |
| 850 | Y | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.7 | -178.4 | -62.5 | -90.5 | 0 | 0 | 0 | 110.3 | T757 L758 V797 T798 K799 I826 F828 M837 M840 S843 D844 L845 D848 | T757-Y850 CarbonylContact C-O 3.46Å; T757-Y850 WeakPolarHBondContact CA-O 3.41Å; L758-Y850 PolarHBondContact N-O 3.13Å; L758-Y850 PolarHBondContact O-N 3.02Å; V797-Y850 HydrophobicContact CG1-CD1 4.35Å; T798-Y850 CarbonylContact O-C 3.56Å; T798-Y850 WeakPolarHBondContact O-CA 3.24Å; K799-Y850 HydrophobicContact CB-CD1 4.47Å; I826-Y850 HydrophobicContact CG2-CD2 4.03Å; I826-Y850 HydrophobicContact CG2-CG 4.27Å; F828-Y850 HydrophobicContact CE2-CD1 4.24Å; F828-Y850 AromaticContact CE2-CD2 3.85Å; F828-Y850 HydrophobicContact CE2-CD2 3.85Å; F828-Y850 HydrophobicContact CE2-CE1 4.06Å; F828-Y850 AromaticContact CE2-CE2 3.69Å; F828-Y850 HydrophobicContact CE2-CE2 3.69Å; F828-Y850 HydrophobicContact CE2-CG 4.13Å; F828-Y850 AromaticContact CE2-CZ 3.78Å; F828-Y850 AromaticContact CZ-CD1 3.83Å; F828-Y850 HydrophobicContact CZ-CD1 3.83Å; F828-Y850 HydrophobicContact CZ-CD2 4.16Å; F828-Y850 AromaticContact CZ-CE1 3.91Å; F828-Y850 HydrophobicContact CZ-CE1 3.91Å; F828-Y850 HydrophobicContact CZ-CE2 4.26Å; F828-Y850 AromaticContact CZ-CG 3.95Å; F828-Y850 HydrophobicContact CZ-CG 3.95Å; M837-Y850 HydrophobicContact CB-CE1 4.12Å; M837-Y850 WeakPolarHBondContact CB-OH 3.2Å; M840-Y850 HydrophobicContact CE-CD1 3.63Å; M840-Y850 HydrophobicContact CE-CE1 3.59Å; M840-Y850 HydrophobicContact SD-CD1 4.32Å; S843-Y850 PolarHBondContact OG-OH 2.8Å; D844-Y850 PolarHBondContact O-OH 2.82Å; L845-Y850 HydrophobicContact CD2-CE2 4.44Å; D848-Y850 HydrophobicContact CB-CE2 3.91Å; D848-Y850 WeakPolarHBondContact O-CE2 3.45Å |
| 851 | L | 98.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.073 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 110.3 | 174.8 | -46.5 | -175.7 | 0 | 0 | 0 | 107.7 | V647 L653 T757 V797 T798 S800 F853 | V647-L851 HydrophobicContact CG2-CB 3.76Å; V647-L851 HydrophobicContact CG2-CD2 3.91Å; V647-L851 HydrophobicContact CG2-CG 4.3Å; L653-L851 HydrophobicContact CD2-CD1 4.48Å; T757-L851 HydrophobicContact CG2-CD2 4.09Å; V797-L851 WeakPolarHBondContact CA-O 3.25Å; T798-L851 HydrophobicContact CG2-CB 3.98Å; T798-L851 HydrophobicContact CG2-CD1 4.22Å; T798-L851 HydrophobicContact CG2-CG 4.4Å; T798-L851 PolarHBondContact N-O 2.96Å; T798-L851 PolarHBondContact O-N 2.97Å; S800-L851 WeakPolarHBondContact OG-CD1 3.36Å; L851-F853 HydrophobicContact CB-CE2 3.67Å; L851-F853 HydrophobicContact CB-CZ 3.87Å |
| 852 | A | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G755 R756 L758 I775 M796 V797 W854 | G755-A852 CarbonylContact C-O 3.5Å; G755-A852 WeakPolarHBondContact CA-O 3.49Å; R756-A852 PolarHBondContact N-O 2.92Å; R756-A852 PolarHBondContact O-N 2.86Å; L758-A852 HydrophobicContact CD1-CB 4.12Å; I775-A852 HydrophobicContact CD1-CB 4.27Å; M796-A852 CarbonylContact O-C 3.57Å; M796-A852 WeakPolarHBondContact O-CA 3.06Å; V797-A852 HydrophobicContact CG2-CB 4.32Å; A852-W854 HydrophobicContact CB-CZ3 4.48Å |
| 853 | F | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.3 | -178.9 | -47.6 | -93 | 0 | 0 | 0 | 109.3 | V647 L649 L653 V750 V795 M796 T798 L851 M859 | V647-F853 HydrophobicContact CB-CE1 4.26Å; V647-F853 HydrophobicContact CG1-CD1 3.92Å; V647-F853 HydrophobicContact CG1-CE1 3.6Å; V647-F853 HydrophobicContact CG1-CZ 4.44Å; V647-F853 HydrophobicContact CG2-CD1 4.46Å; V647-F853 HydrophobicContact CG2-CE1 3.6Å; V647-F853 HydrophobicContact CG2-CE2 4.42Å; V647-F853 HydrophobicContact CG2-CZ 3.59Å; L649-F853 HydrophobicContact CD2-CE1 3.87Å; L649-F853 HydrophobicContact CD2-CZ 3.95Å; L653-F853 HydrophobicContact CD2-CE2 4.07Å; L653-F853 HydrophobicContact CD2-CZ 3.98Å; V750-F853 HydrophobicContact CB-CD1 4.4Å; V750-F853 HydrophobicContact CB-CE1 4.42Å; V750-F853 HydrophobicContact CG1-CD1 4.34Å; V750-F853 HydrophobicContact CG2-CD1 3.95Å; V750-F853 HydrophobicContact CG2-CE1 3.74Å; V795-F853 CarbonylContact C-O 3.55Å; V795-F853 WeakPolarHBondContact CA-O 3.22Å; M796-F853 HydrophobicContact CB-CB 4.35Å; M796-F853 HydrophobicContact CB-CD2 4.48Å; M796-F853 HydrophobicContact CE-CB 4.06Å; M796-F853 HydrophobicContact CE-CD2 3.31Å; M796-F853 HydrophobicContact CE-CE2 3.84Å; M796-F853 HydrophobicContact CE-CG 3.76Å; M796-F853 HydrophobicContact CG-CD2 4.46Å; M796-F853 PolarHBondContact N-O 3.21Å; M796-F853 PolarHBondContact O-N 2.82Å; T798-F853 HydrophobicContact CG2-CE2 4.44Å; L851-F853 HydrophobicContact CB-CE2 3.67Å; L851-F853 HydrophobicContact CB-CZ 3.87Å; F853-M859 VanDerWaalsContact O-CE 3.31Å; F853-M859 WeakPolarHBondContact O-CE 3.06Å |
| 854 | W | 97.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 34.7 Ų | 34.7 | 11% | 0.114 | 20% | 0.195 | C | C | . | . | trans | -124.6 | 37.9 | 171.8 | 52.3 | 86.3 | 0 | 0 | 0 | 110.2 | H753 L754 R756 I777 I791 V795 A852 | H753-W854 PolarHBondContact O-NE1 3.34Å; L754-W854 VanDerWaalsContact C-CE2 3.47Å; L754-W854 VanDerWaalsContact CA-NE1 3.33Å; L754-W854 PolarHBondContact O-N 2.88Å; R756-W854 HydrophobicContact CB-CH2 4Å; R756-W854 HydrophobicContact CB-CZ3 4.37Å; R756-W854 HydrophobicContact CG-CH2 3.67Å; R756-W854 HydrophobicContact CG-CZ3 4.5Å; I777-W854 HydrophobicContact CD1-CH2 3.89Å; I777-W854 HydrophobicContact CD1-CZ2 3.63Å; I777-W854 HydrophobicContact CG2-CH2 4.29Å; I791-W854 HydrophobicContact CD1-CD2 4.11Å; I791-W854 HydrophobicContact CD1-CH2 4.36Å; I791-W854 HydrophobicContact CD1-CZ2 3.86Å; I791-W854 HydrophobicContact CG1-CD2 4.19Å; I791-W854 HydrophobicContact CG1-CE3 4.23Å; I791-W854 HydrophobicContact CG1-CH2 4.25Å; I791-W854 HydrophobicContact CG1-CZ2 4.24Å; I791-W854 HydrophobicContact CG1-CZ3 4.26Å; I791-W854 HydrophobicContact CG2-CB 4.07Å; I791-W854 HydrophobicContact CG2-CD2 3.89Å; I791-W854 HydrophobicContact CG2-CE3 4.06Å; I791-W854 HydrophobicContact CG2-CG 3.89Å; V795-W854 HydrophobicContact CG1-CB 4.07Å; A852-W854 HydrophobicContact CB-CZ3 4.48Å | ||
| 855 | D | 96.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | trans | -91.5 | 111.3 | 172.1 | -168.2 | -29.1 | 0 | 0 | 0 | 108.9 | R675 L754 D857 L858 M859 | R675-D855 IonicContact CZ-OD2 3.27Å; R675-D855 VanDerWaalsContact CZ-OD2 3.27Å; R675-D855 IonicContact NE-OD1 2.9Å; R675-D855 IonicContact NE-OD2 2.75Å; R675-D855 PolarHBondContact NE-OD2 3.23Å; R675-D855 IonicContact NH2-OD2 2.84Å; R675-D855 PolarHBondContact NH2-OD2 3.04Å; L754-D855 HydrophobicContact CB-CB 4.23Å; D855-D857 PolarHBondContact O-N 2.94Å; D855-D857 PolarHBondContact OD1-N 3.13Å; D855-D857 VanDerWaalsContact OD1-N 3.14Å; D855-L858 HydrophobicContact CB-CB 4.29Å; D855-L858 HydrophobicContact CB-CD1 4.04Å; D855-L858 HydrophobicContact CB-CG 4.09Å; D855-L858 PolarHBondContact O-N 3.26Å; D855-M859 WeakPolarHBondContact O-CG 3.37Å | ||
| 856 | T | 94.3 | Very high | 94.5 | Very high | 116 Ų | 116 | 41.3 Ų | 41.3 | 71% | 0.712 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -60.2 | -27.3 | -176.1 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | L858 M859 | T856-L858 PolarHBondContact O-N 2.76Å; T856-M859 PolarHBondContact O-N 2.8Å |
| 857 | D | 92.4 | Very high | 94.5 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -80.4 | -5.4 | 179.9 | -74.9 | -4 | 0 | 0 | 0 | 112.6 | R674 R675 D855 | R674-D857 IonicContact CZ-OD2 3.74Å; R674-D857 IonicContact NH1-OD2 2.6Å; R674-D857 IonicContact NH2-OD2 2.87Å; R674-D857 PolarHBondContact NH2-OD2 3.02Å; R675-D857 HydrophobicContact CB-CB 3.77Å; R675-D857 HydrophobicContact CG-CB 3.55Å; D855-D857 PolarHBondContact O-N 2.94Å; D855-D857 PolarHBondContact OD1-N 3.13Å; D855-D857 VanDerWaalsContact OD1-N 3.14Å |
| 858 | L | 93.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -107.3 | 13 | 174.3 | -61.4 | -177.7 | 0 | 0 | 0 | 113.1 | M672 R675 I676 L679 M796 D855 T856 | M672-L858 HydrophobicContact CG-CD2 4.46Å; R675-L858 HydrophobicContact CB-CD2 4.15Å; R675-L858 HydrophobicContact CG-CD2 3.75Å; R675-L858 HydrophobicContact CG-CG 4.08Å; I676-L858 HydrophobicContact CD1-CD2 4.23Å; I676-L858 HydrophobicContact CG1-CD2 3.61Å; L679-L858 HydrophobicContact CD1-CD1 4.25Å; M796-L858 HydrophobicContact CE-CB 4.44Å; D855-L858 HydrophobicContact CB-CB 4.29Å; D855-L858 HydrophobicContact CB-CD1 4.04Å; D855-L858 HydrophobicContact CB-CG 4.09Å; D855-L858 PolarHBondContact O-N 3.26Å; T856-L858 PolarHBondContact O-N 2.76Å |
| 859 | M | 93.1 | Very high | 93.8 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | trans | -97.8 | 147.5 | -176.5 | -58.4 | -64.7 | 178.5 | 0 | 0 | 112.5 | A794 M796 I810 F853 D855 T856 | A794-M859 WeakPolarHBondContact O-CE 3.35Å; M796-M859 HydrophobicContact CB-CE 4.3Å; M796-M859 HydrophobicContact CB-SD 3.77Å; I810-M859 HydrophobicContact CD1-SD 3.84Å; F853-M859 VanDerWaalsContact O-CE 3.31Å; F853-M859 WeakPolarHBondContact O-CE 3.06Å; D855-M859 WeakPolarHBondContact O-CG 3.37Å; T856-M859 PolarHBondContact O-N 2.8Å | ||
| 860 | F | 90.5 | Very high | 93.2 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | trans | -114.1 | 167.5 | 163.3 | 48.4 | -98.5 | 0 | 0 | 0 | 109.4 | L657 V660 E664 M796 V808 I810 G862 | L657-F860 HydrophobicContact CD2-CD1 4.44Å; L657-F860 HydrophobicContact CD2-CE1 4.15Å; V660-F860 HydrophobicContact CG1-CB 4.17Å; V660-F860 HydrophobicContact CG1-CD1 3.86Å; V660-F860 HydrophobicContact CG1-CD2 4.26Å; V660-F860 HydrophobicContact CG1-CE1 4.25Å; V660-F860 HydrophobicContact CG1-CG 3.86Å; E664-F860 WeakPolarHBondContact OE2-CA 3.1Å; E664-F860 WeakPolarHBondContact OE2-CB 3.49Å; M796-F860 HydrophobicContact SD-CE1 4.13Å; V808-F860 HydrophobicContact CB-CE1 4.4Å; V808-F860 HydrophobicContact CB-CZ 4.11Å; V808-F860 HydrophobicContact CG1-CE1 3.74Å; V808-F860 HydrophobicContact CG1-CZ 3.74Å; I810-F860 HydrophobicContact CD1-CD1 4.32Å; I810-F860 HydrophobicContact CD1-CD2 4.11Å; I810-F860 HydrophobicContact CD1-CE1 4.14Å; I810-F860 HydrophobicContact CD1-CE2 3.95Å; I810-F860 HydrophobicContact CD1-CG 4.32Å; I810-F860 HydrophobicContact CD1-CZ 3.96Å; I810-F860 HydrophobicContact CG1-CD2 3.62Å; I810-F860 HydrophobicContact CG1-CE2 3.45Å; I810-F860 VanDerWaalsContact CG1-CE2 3.45Å; I810-F860 HydrophobicContact CG1-CG 4.27Å; I810-F860 HydrophobicContact CG1-CZ 3.95Å; F860-G862 WeakPolarHBondContact CD2-O 3.49Å; F860-G862 VanDerWaalsContact CE2-O 3.27Å; F860-G862 WeakPolarHBondContact CE2-O 3.29Å | ||
| 861 | T | 87.6 | Confident | 92.2 | Very high | 120 Ų | 120 | 55.3 Ų | 55.3 | 74% | 0.736 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -87.6 | -24.3 | -169.2 | 52 | 0 | 0 | 0 | 0 | 115.3 | E664 | E664-T861 VanDerWaalsContact OE1-CB 3.29Å; E664-T861 WeakPolarHBondContact OE1-CB 3.39Å; E664-T861 WeakPolarHBondContact OE1-CG2 3.21Å; E664-T861 PolarHBondContact OE1-N 2.85Å; E664-T861 PolarHBondContact OE1-OG1 2.83Å; E664-T861 PolarHBondContact OE2-N 3.44Å; E664-T861 PolarHBondContact OE2-OG1 3.06Å |
| 862 | G | 88 | Confident | 91.2 | Very high | 38 Ų | 38 | 58.5 Ų | 58.5 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -140.9 | 149.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F860 | F860-G862 WeakPolarHBondContact CD2-O 3.49Å; F860-G862 VanDerWaalsContact CE2-O 3.27Å; F860-G862 WeakPolarHBondContact CE2-O 3.29Å |
| 863 | N | 95.1 | Very high | 90.2 | Very high | 55 Ų | 55 | 65.9 Ų | 65.9 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 135 | 176.9 | -74.9 | -38.8 | 0 | 0 | 0 | 111.9 | R809 I810 | R809-N863 VanDerWaalsContact CA-OD1 3.28Å; R809-N863 WeakPolarHBondContact CA-OD1 3.43Å; R809-N863 VanDerWaalsContact CZ-CB 3.48Å; R809-N863 PolarHBondContact NH2-ND2 2.95Å; I810-N863 PolarHBondContact N-OD1 3.01Å; I810-N863 PolarHBondContact O-ND2 2.97Å |
| 864 | Y | 95.3 | Very high | 89.5 | Confident | 77 Ų | 77 | 68 Ų | 68 | 30% | 0.302 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 159.9 | 168.8 | -75.7 | -92.9 | 0 | 0 | 0 | 111.7 | V660 P805 R809 F916 | V660-Y864 HydrophobicContact CB-CE2 4.47Å; V660-Y864 HydrophobicContact CG1-CD2 4.39Å; V660-Y864 HydrophobicContact CG1-CE2 3.77Å; V660-Y864 HydrophobicContact CG2-CD2 4.38Å; V660-Y864 HydrophobicContact CG2-CE2 4.13Å; P805-Y864 HydrophobicContact CB-CD2 4.03Å; P805-Y864 HydrophobicContact CB-CG 3.91Å; R809-Y864 PolarHBondContact NH1-O 2.8Å; Y864-F916 AromaticContact CD1-CE1 3.72Å; Y864-F916 HydrophobicContact CD1-CE1 3.72Å; Y864-F916 HydrophobicContact CD1-CZ 4.43Å; Y864-F916 HydrophobicContact CE1-CD1 4.37Å; Y864-F916 AromaticContact CE1-CE1 3.38Å; Y864-F916 HydrophobicContact CE1-CE1 3.38Å; Y864-F916 AromaticContact CE1-CZ 3.81Å; Y864-F916 HydrophobicContact CE1-CZ 3.81Å; Y864-F916 HydrophobicContact CE2-CZ 4.33Å; Y864-F916 HydrophobicContact CG-CE1 4.41Å; Y864-F916 AromaticContact CZ-CE1 3.83Å; Y864-F916 AromaticContact CZ-CZ 3.74Å |
| 865 | D | 94.5 | Very high | 88.6 | Confident | 150 Ų | 150 | 71 Ų | 71 | 80% | 0.802 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 130.8 | 176.9 | -73.4 | -32.7 | 0 | 0 | 0 | 111.1 | ||
| 866 | P | 93.9 | Very high | 88 | Confident | 28 Ų | 28 | 79 Ų | 79 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -70 | 149.2 | 175.8 | 27.9 | -33.6 | 0 | 0 | 0 | 111.5 | Q839 | Q839-P866 HydrophobicContact CB-CB 3.73Å; Q839-P866 HydrophobicContact CB-CG 3.97Å; Q839-P866 HydrophobicContact CG-CB 4.24Å; Q839-P866 HydrophobicContact CG-CG 3.93Å; Q839-P866 WeakPolarHBondContact O-CB 3.46Å |
| 867 | L | 93.4 | Very high | 87.6 | Confident | 20 Ų | 20 | 77.4 Ų | 77.4 | 11% | 0.105 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 152.2 | 174.4 | -166.7 | 65.4 | 0 | 0 | 0 | 110.9 | V804 R834 F869 M921 A924 | V804-L867 HydrophobicContact CG2-CB 4.15Å; R834-L867 PolarHBondContact NH1-O 3.16Å; R834-L867 PolarHBondContact NH2-O 2.7Å; L867-F869 HydrophobicContact CB-CE1 4.42Å; L867-F869 HydrophobicContact CB-CE2 4.02Å; L867-F869 HydrophobicContact CB-CZ 3.75Å; L867-F869 HydrophobicContact CD2-CE1 4.08Å; L867-F869 HydrophobicContact CD2-CZ 4.18Å; L867-F869 HydrophobicContact CG-CZ 4.33Å; L867-F869 VanDerWaalsContact O-CD2 3.32Å; L867-F869 WeakPolarHBondContact O-CD2 3.42Å; L867-F869 WeakPolarHBondContact O-CE2 3.23Å; L867-M921 HydrophobicContact CD1-CE 3.94Å; L867-A924 HydrophobicContact CD2-CB 4.43Å |
| 868 | S | 89.1 | Confident | 87.1 | Confident | 80 Ų | 80 | 83.8 Ų | 83.8 | 56% | 0.559 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 131.2 | 173.2 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | P870 | S868-P870 VanDerWaalsContact C-CD 3.4Å; S868-P870 VanDerWaalsContact O-CD 3.25Å; S868-P870 WeakPolarHBondContact O-CD 3.46Å |
| 869 | F | 86.6 | Confident | 86.6 | Confident | 45 Ų | 45 | 87 Ų | 87 | 20% | 0.197 | 48% | 0.482 | C | S | . | . | trans | -116.9 | 70.1 | 177.9 | -58 | -80.4 | 0 | 0 | 0 | 109.9 | A841 G842 L867 T928 | A841-F869 VanDerWaalsContact C-CZ 3.42Å; G842-F869 VanDerWaalsContact N-CZ 3.26Å; L867-F869 HydrophobicContact CB-CE1 4.42Å; L867-F869 HydrophobicContact CB-CE2 4.02Å; L867-F869 HydrophobicContact CB-CZ 3.75Å; L867-F869 HydrophobicContact CD2-CE1 4.08Å; L867-F869 HydrophobicContact CD2-CZ 4.18Å; L867-F869 HydrophobicContact CG-CZ 4.33Å; L867-F869 VanDerWaalsContact O-CD2 3.32Å; L867-F869 WeakPolarHBondContact O-CD2 3.42Å; L867-F869 WeakPolarHBondContact O-CE2 3.23Å; F869-T928 HydrophobicContact CD1-CG2 3.55Å; F869-T928 HydrophobicContact CE1-CG2 3.9Å | ||
| 870 | P | 81.5 | Confident | 86.3 | Confident | 97 Ų | 97 | 93.7 Ų | 93.7 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | trans | -65.1 | 139 | -179.4 | 28.5 | -34.2 | 0 | 0 | 0 | 110.4 | S868 T872 | S868-P870 VanDerWaalsContact C-CD 3.4Å; S868-P870 VanDerWaalsContact O-CD 3.25Å; S868-P870 WeakPolarHBondContact O-CD 3.46Å; P870-T872 PolarHBondContact O-N 3.38Å; P870-T872 VanDerWaalsContact O-N 3.11Å | ||
| 871 | K | 77.6 | Confident | 86.2 | Confident | 194 Ų | 194 | 94.8 Ų | 94.8 | 84% | 0.843 | 52% | 0.519 | S | S | * | . | trans | -69.5 | 108.9 | 171.6 | -69.2 | -179.7 | -179.1 | 173.8 | 0 | 108.6 | ||||
| 872 | T | 77.1 | Confident | 86.4 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | trans | -70.6 | 132.3 | 175.7 | -46.3 | 0 | 0 | 0 | 0 | 110.4 | P870 V874 I938 | P870-T872 PolarHBondContact O-N 3.38Å; P870-T872 VanDerWaalsContact O-N 3.11Å; T872-V874 PolarHBondContact O-N 2.73Å; T872-V874 VanDerWaalsContact O-N 3.07Å; T872-I938 HydrophobicContact CG2-CD1 3.45Å; T872-I938 VanDerWaalsContact CG2-CD1 3.45Å | ||
| 873 | D | 78.7 | Confident | 86.6 | Confident | 155 Ų | 155 | 93.1 Ų | 93.1 | 83% | 0.829 | 50% | 0.501 | S | S | * | . | trans | -64.2 | 110 | 170 | -77.7 | -33.2 | 0 | 0 | 0 | 109.5 | ||||
| 874 | V | 82 | Confident | 86.6 | Confident | 45 Ų | 45 | 93.9 Ų | 93.9 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 123.3 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | N520 T872 K876 T936 | N520-V874 HydrophobicContact CB-CG1 4.21Å; N520-V874 WeakPolarHBondContact ND2-CG1 3.49Å; T872-V874 PolarHBondContact O-N 2.73Å; T872-V874 VanDerWaalsContact O-N 3.07Å; V874-K876 PolarHBondContact O-N 3.28Å; V874-T936 WeakPolarHBondContact CG1-O 3.32Å; V874-T936 HydrophobicContact CG2-CG2 4.05Å |
| 875 | P | 79 | Confident | 86.5 | Confident | 94 Ų | 94 | 90.8 Ų | 90.8 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 138.6 | 176.9 | -24.8 | 33.6 | 0 | 0 | 0 | 111.5 | ||
| 876 | K | 84.5 | Confident | 86.6 | Confident | 173 Ų | 173 | 84 Ų | 84 | 75% | 0.752 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 134 | 168.5 | -66.8 | -177 | -178 | 177.9 | 0 | 108.5 | G519 V874 E878 | G519-K876 CarbonylContact O-C 3.42Å; G519-K876 VanDerWaalsContact O-CA 3.24Å; G519-K876 WeakPolarHBondContact O-CA 3.36Å; V874-K876 PolarHBondContact O-N 3.28Å; K876-E878 PolarHBondContact O-N 3.23Å |
| 877 | F | 86 | Confident | 86.7 | Confident | 83 Ų | 83 | 82.7 Ų | 82.7 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 130.4 | 167.8 | -169.9 | -92.5 | 0 | 0 | 0 | 109.3 | G519 V521 E880 I881 A885 | G519-F877 WeakPolarHBondContact O-CB 3.29Å; G519-F877 PolarHBondContact O-N 2.9Å; V521-F877 HydrophobicContact CG2-CD2 3.65Å; V521-F877 HydrophobicContact CG2-CE2 4Å; V521-F877 HydrophobicContact CG2-CG 4.16Å; F877-E880 WeakPolarHBondContact CE1-O 3.44Å; F877-I881 HydrophobicContact CB-CD1 4.46Å; F877-I881 HydrophobicContact CB-CG1 4.21Å; F877-I881 HydrophobicContact CD1-CG1 3.68Å; F877-I881 HydrophobicContact CE1-CG1 4.29Å; F877-I881 HydrophobicContact CG-CG1 3.98Å; F877-A885 HydrophobicContact CE1-CB 4.38Å; F877-A885 HydrophobicContact CE2-CB 3.74Å; F877-A885 HydrophobicContact CZ-CB 3.52Å |
| 878 | E | 81.8 | Confident | 86.8 | Confident | 186 Ų | 186 | 84.8 Ų | 84.8 | 87% | 0.869 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -83 | 116.1 | 178.9 | -64 | -177 | 173.3 | 0 | 0 | 109.4 | K876 | K876-E878 PolarHBondContact O-N 3.23Š|
| 879 | G | 84.5 | Confident | 87.1 | Confident | 68 Ų | 68 | 81.9 Ų | 81.9 | 70% | 0.701 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 92.7 | -165 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 880 | E | 85.6 | Confident | 87.6 | Confident | 171 Ų | 171 | 79.8 Ų | 79.8 | 80% | 0.799 | 43% | 0.427 | S | S | * | . | trans | -77.8 | 133.6 | 179.3 | -173.1 | 179.5 | 177.4 | 0 | 0 | 110.8 | F877 T882 | F877-E880 WeakPolarHBondContact CE1-O 3.44Å; E880-T882 PolarHBondContact O-N 3.49Å | ||
| 881 | I | 88.2 | Confident | 88.2 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 16% | 0.159 | 40% | 0.399 | C | S | . | . | trans | -74.2 | 100.2 | 176.8 | -64.5 | 171 | 0 | 0 | 0 | 108.9 | V521 L524 F877 A885 M886 | V521-I881 HydrophobicContact CG1-CG2 4.48Å; V521-I881 HydrophobicContact CG2-CD1 4.31Å; V521-I881 HydrophobicContact CG2-CG1 4.17Å; V521-I881 HydrophobicContact CG2-CG2 3.9Å; L524-I881 HydrophobicContact CB-CD1 4.45Å; L524-I881 HydrophobicContact CD1-CB 4.37Å; L524-I881 HydrophobicContact CD1-CD1 3.71Å; L524-I881 HydrophobicContact CD1-CG2 4.3Å; F877-I881 HydrophobicContact CB-CD1 4.46Å; F877-I881 HydrophobicContact CB-CG1 4.21Å; F877-I881 HydrophobicContact CD1-CG1 3.68Å; F877-I881 HydrophobicContact CE1-CG1 4.29Å; F877-I881 HydrophobicContact CG-CG1 3.98Å; I881-A885 HydrophobicContact CG2-CB 4.5Å; I881-M886 HydrophobicContact CG2-CE 3.9Å; I881-M886 HydrophobicContact CG2-CG 4.19Å | ||
| 882 | T | 91.9 | Very high | 89.1 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | trans | -81.9 | 166.3 | 178.3 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | E880 E884 A885 M886 | E880-T882 PolarHBondContact O-N 3.49Å; T882-E884 PolarHBondContact O-N 3.11Å; T882-A885 PolarHBondContact O-N 3.43Å; T882-A885 PolarHBondContact OG1-N 2.86Å; T882-M886 WeakPolarHBondContact O-CG 3.5Å; T882-M886 PolarHBondContact O-N 2.76Å | ||
| 883 | T | 92.7 | Very high | 89.9 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 34% | 0.344 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.5 | -38.8 | 170.2 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | F480 R509 A885 M886 I887 | F480-T883 HydrophobicContact CD1-CG2 3.89Å; F480-T883 HydrophobicContact CE1-CG2 4.5Å; R509-T883 PolarHBondContact NH1-OG1 3.38Å; T883-A885 PolarHBondContact O-N 3.06Å; T883-M886 WeakPolarHBondContact O-CB 3.31Å; T883-M886 PolarHBondContact O-N 3.48Å; T883-M886 VanDerWaalsContact O-N 3.16Å; T883-I887 HydrophobicContact CG2-CD1 3.98Å; T883-I887 HydrophobicContact CG2-CG1 4.42Å; T883-I887 WeakPolarHBondContact O-CG1 3.35Å; T883-I887 PolarHBondContact O-N 2.73Å |
| 884 | E | 94.5 | Very high | 90.5 | Very high | 71 Ų | 71 | 59 Ų | 59 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.9 | -68 | -53.2 | 114.6 | 0 | 0 | 112 | R468 T882 M886 I887 D888 | R468-E884 WeakPolarHBondContact CG-OE1 3.43Å; T882-E884 PolarHBondContact O-N 3.11Å; E884-M886 VanDerWaalsContact C-N 3.27Å; E884-M886 PolarHBondContact O-N 2.87Å; E884-I887 WeakPolarHBondContact O-CB 3.26Å; E884-I887 PolarHBondContact O-N 3.28Å; E884-I887 VanDerWaalsContact O-N 3.12Å; E884-D888 PolarHBondContact O-N 2.84Å |
| 885 | A | 94.3 | Very high | 91 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -36.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V521 F877 I881 T882 T883 F889 | V521-A885 HydrophobicContact CG2-CB 4.13Å; F877-A885 HydrophobicContact CE1-CB 4.38Å; F877-A885 HydrophobicContact CE2-CB 3.74Å; F877-A885 HydrophobicContact CZ-CB 3.52Å; I881-A885 HydrophobicContact CG2-CB 4.5Å; T882-A885 PolarHBondContact O-N 3.43Å; T882-A885 PolarHBondContact OG1-N 2.86Å; T883-A885 PolarHBondContact O-N 3.06Å; A885-F889 PolarHBondContact O-N 2.9Å; A885-F889 VanDerWaalsContact O-N 3.15Å |
| 886 | M | 95.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -45.7 | 173.3 | -57.5 | 173.2 | -170 | 0 | 0 | 111.1 | F480 W483 V521 L524 M525 I881 T882 T883 E884 F889 F890 | F480-M886 HydrophobicContact CE1-CB 4.02Å; W483-M886 HydrophobicContact CH2-CB 4.46Å; W483-M886 VanDerWaalsContact CH2-O 3.22Å; W483-M886 WeakPolarHBondContact CH2-O 3.37Å; V521-M886 HydrophobicContact CG1-CB 4.46Å; V521-M886 HydrophobicContact CG1-CG 4.26Å; L524-M886 HydrophobicContact CD2-CE 3.95Å; M525-M886 HydrophobicContact CE-SD 4.43Å; M525-M886 HydrophobicContact CG-CG 4.32Å; M525-M886 HydrophobicContact SD-CB 4.06Å; M525-M886 HydrophobicContact SD-CE 4.36Å; M525-M886 HydrophobicContact SD-CG 3.63Å; M525-M886 HydrophobicContact SD-SD 3.56Å; I881-M886 HydrophobicContact CG2-CE 3.9Å; I881-M886 HydrophobicContact CG2-CG 4.19Å; T882-M886 WeakPolarHBondContact O-CG 3.5Å; T882-M886 PolarHBondContact O-N 2.76Å; T883-M886 WeakPolarHBondContact O-CB 3.31Å; T883-M886 PolarHBondContact O-N 3.48Å; T883-M886 VanDerWaalsContact O-N 3.16Å; E884-M886 VanDerWaalsContact C-N 3.27Å; E884-M886 PolarHBondContact O-N 2.87Å; M886-F889 PolarHBondContact O-N 2.85Å; M886-F890 PolarHBondContact O-N 3.46Å |
| 887 | I | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 178.1 | -68.3 | 170.8 | 0 | 0 | 0 | 110.8 | R464 L467 R468 F480 T883 E884 F889 F890 I891 | R464-I887 HydrophobicContact CG-CG2 4.14Å; L467-I887 HydrophobicContact CB-CB 4.44Å; L467-I887 HydrophobicContact CB-CD1 3.98Å; L467-I887 HydrophobicContact CB-CG1 3.94Å; L467-I887 HydrophobicContact CB-CG2 3.72Å; L467-I887 HydrophobicContact CD1-CG2 3.93Å; L467-I887 HydrophobicContact CG-CG2 4.46Å; L467-I887 WeakPolarHBondContact O-CD1 3.34Å; R468-I887 HydrophobicContact CB-CD1 4.17Å; F480-I887 HydrophobicContact CD1-CD1 4.32Å; F480-I887 HydrophobicContact CD1-CG1 3.86Å; F480-I887 HydrophobicContact CE1-CG1 4.16Å; F480-I887 HydrophobicContact CG-CG1 4.45Å; T883-I887 HydrophobicContact CG2-CD1 3.98Å; T883-I887 HydrophobicContact CG2-CG1 4.42Å; T883-I887 WeakPolarHBondContact O-CG1 3.35Å; T883-I887 PolarHBondContact O-N 2.73Å; E884-I887 WeakPolarHBondContact O-CB 3.26Å; E884-I887 PolarHBondContact O-N 3.28Å; E884-I887 VanDerWaalsContact O-N 3.12Å; I887-F889 VanDerWaalsContact C-N 3.31Å; I887-F889 PolarHBondContact O-N 2.59Å; I887-F890 WeakPolarHBondContact O-CB 3.48Å; I887-F890 PolarHBondContact O-N 2.6Å; I887-F890 VanDerWaalsContact O-N 3.1Å; I887-I891 HydrophobicContact CG2-CD1 3.87Å; I887-I891 HydrophobicContact CG2-CG1 4.5Å; I887-I891 WeakPolarHBondContact O-CG1 3.35Å; I887-I891 PolarHBondContact O-N 2.8Å |
| 888 | D | 95.6 | Very high | 91.7 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 179.6 | -79.8 | -28 | 0 | 0 | 0 | 112 | R464 E884 I891 T892 | R464-D888 IonicContact CZ-OD1 2.87Å; R464-D888 IonicContact NE-OD1 3.7Å; R464-D888 PolarHBondContact NE-OD1 3.31Å; R464-D888 VanDerWaalsContact NE-OD1 3.09Å; R464-D888 IonicContact NH2-OD1 3.89Å; R464-D888 PolarHBondContact NH2-OD1 3.1Å; E884-D888 PolarHBondContact O-N 2.84Å; D888-I891 PolarHBondContact O-N 3.21Å; D888-T892 VanDerWaalsContact O-CB 3.29Å; D888-T892 WeakPolarHBondContact O-CB 3.49Å; D888-T892 PolarHBondContact O-N 3.22Å; D888-T892 PolarHBondContact O-OG1 2.87Å |
| 889 | F | 95.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -40.3 | 173.4 | 178.1 | -109.7 | 0 | 0 | 0 | 112.2 | W483 L488 V521 P522 A885 M886 I887 I891 T892 Y893 F933 | W483-F889 HydrophobicContact CH2-CD1 4.18Å; W483-F889 AromaticContact CZ2-CD1 3.74Å; W483-F889 HydrophobicContact CZ2-CD1 3.74Å; W483-F889 HydrophobicContact CZ2-CE1 4.15Å; L488-F889 HydrophobicContact CD2-CE1 4.3Å; V521-F889 HydrophobicContact CB-CB 4.48Å; V521-F889 HydrophobicContact CG1-CB 3.91Å; V521-F889 HydrophobicContact CG1-CG 4.46Å; P522-F889 HydrophobicContact CB-CD1 4.22Å; P522-F889 HydrophobicContact CB-CE1 3.63Å; P522-F889 HydrophobicContact CB-CE2 4.03Å; P522-F889 HydrophobicContact CB-CZ 3.52Å; P522-F889 HydrophobicContact CG-CD1 4.09Å; P522-F889 HydrophobicContact CG-CD2 3.74Å; P522-F889 HydrophobicContact CG-CE1 3.85Å; P522-F889 HydrophobicContact CG-CE2 3.5Å; P522-F889 HydrophobicContact CG-CG 4.04Å; P522-F889 HydrophobicContact CG-CZ 3.55Å; A885-F889 PolarHBondContact O-N 2.9Å; A885-F889 VanDerWaalsContact O-N 3.15Å; M886-F889 PolarHBondContact O-N 2.85Å; I887-F889 VanDerWaalsContact C-N 3.31Å; I887-F889 PolarHBondContact O-N 2.59Å; F889-I891 VanDerWaalsContact C-N 3.32Å; F889-I891 PolarHBondContact O-N 3.38Å; F889-T892 WeakPolarHBondContact O-CB 3.35Å; F889-T892 PolarHBondContact O-N 2.74Å; F889-Y893 WeakPolarHBondContact O-CB 3.32Å; F889-Y893 PolarHBondContact O-N 2.91Å; F889-F933 HydrophobicContact CE2-CE2 4.09Å; F889-F933 HydrophobicContact CE2-CZ 4.4Å |
| 890 | F | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -45.8 | 175.5 | -171.1 | -96 | 0 | 0 | 0 | 111.6 | F441 L467 W483 L488 C493 M886 I887 Y893 L894 | F441-F890 AromaticContact CD2-CE1 3.69Å; F441-F890 HydrophobicContact CD2-CE1 3.69Å; F441-F890 HydrophobicContact CD2-CZ 4.09Å; F441-F890 AromaticContact CE2-CE1 3.7Å; F441-F890 HydrophobicContact CE2-CE1 3.7Å; F441-F890 HydrophobicContact CE2-CZ 4.25Å; L467-F890 HydrophobicContact CD1-CD1 3.65Å; L467-F890 HydrophobicContact CD1-CE1 4.2Å; L467-F890 HydrophobicContact CD1-CG 4.48Å; L467-F890 HydrophobicContact CD2-CD1 4.46Å; W483-F890 AromaticContact CD2-CD2 3.71Å; W483-F890 HydrophobicContact CD2-CD2 3.71Å; W483-F890 HydrophobicContact CD2-CE2 4.21Å; W483-F890 HydrophobicContact CE3-CB 4.28Å; W483-F890 AromaticContact CE3-CD2 3.35Å; W483-F890 HydrophobicContact CE3-CD2 3.35Å; W483-F890 HydrophobicContact CE3-CE2 4.03Å; W483-F890 HydrophobicContact CE3-CG 4.16Å; W483-F890 HydrophobicContact CG-CD2 4.37Å; W483-F890 HydrophobicContact CG-CE2 4.44Å; W483-F890 HydrophobicContact CH2-CB 3.85Å; W483-F890 HydrophobicContact CH2-CD2 4.21Å; W483-F890 HydrophobicContact CZ3-CB 3.61Å; W483-F890 AromaticContact CZ3-CD2 3.6Å; W483-F890 HydrophobicContact CZ3-CD2 3.6Å; W483-F890 AromaticContact CZ3-CG 3.99Å; W483-F890 HydrophobicContact CZ3-CG 3.99Å; L488-F890 HydrophobicContact CD1-CD2 3.42Å; L488-F890 VanDerWaalsContact CD1-CD2 3.42Å; L488-F890 HydrophobicContact CD1-CE2 3.65Å; L488-F890 HydrophobicContact CD1-CG 4.32Å; C493-F890 HydrophobicContact CB-CE2 4.16Å; C493-F890 HydrophobicContact CB-CZ 4.36Å; M886-F890 PolarHBondContact O-N 3.46Å; I887-F890 WeakPolarHBondContact O-CB 3.48Å; I887-F890 PolarHBondContact O-N 2.6Å; I887-F890 VanDerWaalsContact O-N 3.1Å; F890-Y893 WeakPolarHBondContact O-CB 3.39Å; F890-Y893 PolarHBondContact O-N 2.88Å; F890-L894 HydrophobicContact CD1-CD1 3.98Å; F890-L894 HydrophobicContact CD1-CG 4.42Å; F890-L894 HydrophobicContact CE1-CD1 3.62Å; F890-L894 HydrophobicContact CE1-CG 4.24Å; F890-L894 HydrophobicContact CZ-CD1 4.42Å; F890-L894 WeakPolarHBondContact O-CG 3.33Å; F890-L894 PolarHBondContact O-N 3.1Å; F890-L894 VanDerWaalsContact O-N 3.1Å |
| 891 | I | 95.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 176.7 | -64.9 | 169.8 | 0 | 0 | 0 | 110.7 | I459 L463 R464 L467 I887 D888 F889 Y893 L894 C895 | I459-I891 HydrophobicContact CG2-CG2 3.55Å; L463-I891 HydrophobicContact CB-CD1 4.29Å; L463-I891 HydrophobicContact CB-CG1 4.07Å; L463-I891 HydrophobicContact CD1-CG2 4.34Å; R464-I891 HydrophobicContact CB-CD1 3.62Å; R464-I891 HydrophobicContact CG-CD1 4.07Å; L467-I891 HydrophobicContact CD1-CD1 4.49Å; L467-I891 HydrophobicContact CD1-CG1 4.15Å; I887-I891 HydrophobicContact CG2-CD1 3.87Å; I887-I891 HydrophobicContact CG2-CG1 4.5Å; I887-I891 WeakPolarHBondContact O-CG1 3.35Å; I887-I891 PolarHBondContact O-N 2.8Å; D888-I891 PolarHBondContact O-N 3.21Å; F889-I891 VanDerWaalsContact C-N 3.32Å; F889-I891 PolarHBondContact O-N 3.38Å; I891-Y893 PolarHBondContact O-N 3.17Å; I891-L894 PolarHBondContact O-N 3.43Å; I891-L894 VanDerWaalsContact O-N 3.13Å; I891-C895 PolarHBondContact O-N 2.86Å; I891-C895 PolarHBondContact O-SG 3.06Å |
| 892 | T | 94.7 | Very high | 93 | Very high | 63 Ų | 63 | 32.7 Ų | 32.7 | 39% | 0.387 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -55.6 | -42 | 177 | -61.6 | 0 | 0 | 0 | 0 | 111 | D888 F889 C895 S896 | D888-T892 VanDerWaalsContact O-CB 3.29Å; D888-T892 WeakPolarHBondContact O-CB 3.49Å; D888-T892 PolarHBondContact O-N 3.22Å; D888-T892 PolarHBondContact O-OG1 2.87Å; F889-T892 WeakPolarHBondContact O-CB 3.35Å; F889-T892 PolarHBondContact O-N 2.74Å; T892-C895 PolarHBondContact O-N 2.93Å; T892-S896 WeakPolarHBondContact O-CB 3.3Å; T892-S896 PolarHBondContact O-N 3.05Å; T892-S896 PolarHBondContact O-OG 3.21Å |
| 893 | Y | 94.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -50.3 | 175.4 | -176.7 | -87.1 | 0 | 0 | 0 | 112.1 | L488 R489 F889 F890 I891 C895 S896 D897 F933 P934 | L488-Y893 HydrophobicContact CD1-CD1 3.61Å; L488-Y893 HydrophobicContact CD1-CE1 4.28Å; L488-Y893 HydrophobicContact CD1-CG 3.79Å; L488-Y893 HydrophobicContact CD2-CD1 4.08Å; L488-Y893 HydrophobicContact CD2-CD2 3.7Å; L488-Y893 HydrophobicContact CD2-CE1 4.32Å; L488-Y893 HydrophobicContact CD2-CE2 3.97Å; L488-Y893 HydrophobicContact CD2-CG 3.77Å; L488-Y893 HydrophobicContact CG-CD1 3.49Å; L488-Y893 VanDerWaalsContact CG-CD1 3.49Å; L488-Y893 HydrophobicContact CG-CD2 4.07Å; L488-Y893 HydrophobicContact CG-CE1 3.69Å; L488-Y893 HydrophobicContact CG-CE2 4.25Å; L488-Y893 HydrophobicContact CG-CG 3.71Å; L488-Y893 WeakPolarHBondContact O-CE1 3.18Å; R489-Y893 WeakPolarHBondContact CG-OH 3.28Å; F889-Y893 WeakPolarHBondContact O-CB 3.32Å; F889-Y893 PolarHBondContact O-N 2.91Å; F890-Y893 WeakPolarHBondContact O-CB 3.39Å; F890-Y893 PolarHBondContact O-N 2.88Å; I891-Y893 PolarHBondContact O-N 3.17Å; Y893-C895 PolarHBondContact O-N 2.99Å; Y893-S896 PolarHBondContact O-N 3.08Å; Y893-S896 VanDerWaalsContact O-N 3.16Å; Y893-D897 HydrophobicContact CE1-CB 4.17Å; Y893-D897 PolarHBondContact O-N 3.38Å; Y893-F933 AromaticContact CD2-CD1 3.62Å; Y893-F933 HydrophobicContact CD2-CD1 3.62Å; Y893-F933 AromaticContact CD2-CE1 3.29Å; Y893-F933 HydrophobicContact CD2-CE1 3.29Å; Y893-F933 HydrophobicContact CD2-CZ 4Å; Y893-F933 AromaticContact CE2-CD1 3.68Å; Y893-F933 HydrophobicContact CE2-CD1 3.68Å; Y893-F933 AromaticContact CE2-CE1 3.8Å; Y893-F933 HydrophobicContact CE2-CE1 3.8Å; Y893-F933 HydrophobicContact CG-CE1 4.04Å; Y893-P934 HydrophobicContact CE2-CB 4.35Å; Y893-P934 HydrophobicContact CE2-CG 3.8Å |
| 894 | L | 92.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -33.5 | 178.8 | -69.4 | -177.4 | 0 | 0 | 0 | 113 | F441 A451 L463 F890 I891 | F441-L894 HydrophobicContact CB-CD1 4.41Å; A451-L894 HydrophobicContact CB-CB 3.92Å; L463-L894 HydrophobicContact CD1-CD1 4.22Å; L463-L894 HydrophobicContact CD2-CD1 4.12Å; F890-L894 HydrophobicContact CD1-CD1 3.98Å; F890-L894 HydrophobicContact CD1-CG 4.42Å; F890-L894 HydrophobicContact CE1-CD1 3.62Å; F890-L894 HydrophobicContact CE1-CG 4.24Å; F890-L894 HydrophobicContact CZ-CD1 4.42Å; F890-L894 WeakPolarHBondContact O-CG 3.33Å; F890-L894 PolarHBondContact O-N 3.1Å; F890-L894 VanDerWaalsContact O-N 3.1Å; I891-L894 PolarHBondContact O-N 3.43Å; I891-L894 VanDerWaalsContact O-N 3.13Å |
| 895 | C | 91.9 | Very high | 93.4 | Very high | 32 Ų | 32 | 27 Ų | 27 | 22% | 0.216 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -83.6 | -18.8 | 179.5 | -68.2 | 0 | 0 | 0 | 0 | 114.2 | F452 I891 T892 Y893 | F452-C895 WeakPolarHBondContact CB-O 3.4Å; I891-C895 PolarHBondContact O-N 2.86Å; I891-C895 PolarHBondContact O-SG 3.06Å; T892-C895 PolarHBondContact O-N 2.93Å; Y893-C895 PolarHBondContact O-N 2.99Å |
| 896 | S | 91 | Very high | 93.5 | Very high | 37 Ų | 37 | 27.1 Ų | 27.1 | 26% | 0.259 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -121.1 | -7.2 | -168.7 | -48 | 0 | 0 | 0 | 0 | 114.5 | T892 Y893 S898 | T892-S896 WeakPolarHBondContact O-CB 3.3Å; T892-S896 PolarHBondContact O-N 3.05Å; T892-S896 PolarHBondContact O-OG 3.21Å; Y893-S896 PolarHBondContact O-N 3.08Å; Y893-S896 VanDerWaalsContact O-N 3.16Å; S896-S898 PolarHBondContact O-N 3.46Å; S896-S898 VanDerWaalsContact O-N 3.15Å |
| 897 | D | 84.4 | Confident | 93.6 | Very high | 30 Ų | 30 | 28 Ų | 28 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | trans | -61.9 | 119.8 | 179.3 | -177.4 | 29.8 | 0 | 0 | 0 | 111.9 | R448 Y893 I899 | R448-D897 IonicContact CZ-OD2 3.17Å; R448-D897 IonicContact NH1-OD2 3.72Å; R448-D897 PolarHBondContact NH1-OD2 2.92Å; R448-D897 IonicContact NH2-OD2 2.81Å; R448-D897 PolarHBondContact NH2-OD2 3Å; Y893-D897 HydrophobicContact CE1-CB 4.17Å; Y893-D897 PolarHBondContact O-N 3.38Å; D897-I899 VanDerWaalsContact OD1-CG2 3.27Å; D897-I899 WeakPolarHBondContact OD1-CG2 3.43Å; D897-I899 PolarHBondContact OD1-N 2.89Å | ||
| 898 | S | 88.5 | Confident | 93.6 | Very high | 31 Ų | 31 | 28.4 Ų | 28.4 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | trans | -128.2 | 4.2 | -174.7 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | S896 G900 T901 I902 P940 | S896-S898 PolarHBondContact O-N 3.46Å; S896-S898 VanDerWaalsContact O-N 3.15Å; S898-G900 PolarHBondContact O-N 3.38Å; S898-T901 WeakPolarHBondContact O-CB 3.25Å; S898-T901 PolarHBondContact O-N 3.28Å; S898-I902 WeakPolarHBondContact O-CG1 3.46Å; S898-I902 PolarHBondContact O-N 3.47Å; S898-I902 WeakPolarHBondContact OG-CD1 3.44Å; S898-P940 WeakPolarHBondContact OG-CG 3.48Å | ||
| 899 | I | 90.8 | Very high | 93.7 | Very high | 39 Ų | 39 | 25.6 Ų | 25.6 | 20% | 0.2 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.2 | -48.3 | -174.2 | -172.8 | 65.3 | 0 | 0 | 0 | 112.6 | D897 T901 I902 A903 H927 A930 V931 | D897-I899 VanDerWaalsContact OD1-CG2 3.27Å; D897-I899 WeakPolarHBondContact OD1-CG2 3.43Å; D897-I899 PolarHBondContact OD1-N 2.89Å; I899-T901 VanDerWaalsContact C-N 3.34Å; I899-T901 PolarHBondContact O-N 2.93Å; I899-I902 PolarHBondContact O-N 3.46Å; I899-A903 WeakPolarHBondContact O-CB 3.49Å; I899-A903 PolarHBondContact O-N 2.86Å; I899-H927 WeakPolarHBondContact CD1-NE2 3.38Å; I899-A930 HydrophobicContact CB-CB 4.14Å; I899-A930 HydrophobicContact CD1-CB 3.52Å; I899-A930 HydrophobicContact CG1-CB 4.42Å; I899-V931 HydrophobicContact CD1-CG2 3.69Å |
| 900 | G | 89.4 | Confident | 93.8 | Very high | 43 Ų | 43 | 24.7 Ų | 24.7 | 44% | 0.443 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.7 | -34.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S898 T904 | S898-G900 PolarHBondContact O-N 3.38Å; G900-T904 WeakPolarHBondContact O-CB 3.42Å; G900-T904 PolarHBondContact O-N 3.38Å; G900-T904 VanDerWaalsContact O-N 3.08Å; G900-T904 PolarHBondContact O-OG1 2.88Å |
| 901 | T | 92.1 | Very high | 93.8 | Very high | 84 Ų | 84 | 25.2 Ų | 25.2 | 52% | 0.515 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.1 | -43.5 | 176.6 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | S898 I899 T904 S905 L943 | S898-T901 WeakPolarHBondContact O-CB 3.25Å; S898-T901 PolarHBondContact O-N 3.28Å; I899-T901 VanDerWaalsContact C-N 3.34Å; I899-T901 PolarHBondContact O-N 2.93Å; T901-T904 PolarHBondContact O-N 3.47Å; T901-S905 WeakPolarHBondContact O-CB 3.4Å; T901-S905 PolarHBondContact O-N 3.22Å; T901-S905 PolarHBondContact O-OG 3.21Å; T901-L943 HydrophobicContact CG2-CD1 3.97Å |
| 902 | I | 96.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -48.5 | 177.6 | -65.5 | 163.3 | 0 | 0 | 0 | 110.1 | S898 I899 T904 S905 H906 L923 K926 H927 A930 P940 L943 | S898-I902 WeakPolarHBondContact O-CG1 3.46Å; S898-I902 PolarHBondContact O-N 3.47Å; S898-I902 WeakPolarHBondContact OG-CD1 3.44Å; I899-I902 PolarHBondContact O-N 3.46Å; I902-T904 VanDerWaalsContact C-N 3.32Å; I902-T904 PolarHBondContact O-N 2.85Å; I902-S905 PolarHBondContact O-N 3.39Å; I902-S905 VanDerWaalsContact O-N 3.12Å; I902-H906 WeakPolarHBondContact O-CB 3.32Å; I902-H906 PolarHBondContact O-N 3.16Å; I902-L923 HydrophobicContact CG2-CD2 4.34Å; I902-L923 WeakPolarHBondContact CG2-O 3.34Å; I902-K926 HydrophobicContact CD1-CB 4.19Å; I902-K926 HydrophobicContact CG2-CB 4.11Å; I902-H927 HydrophobicContact CG2-CB 3.86Å; I902-A930 HydrophobicContact CD1-CB 3.87Å; I902-P940 HydrophobicContact CD1-CB 4.13Å; I902-P940 HydrophobicContact CD1-CG 3.78Å; I902-L943 HydrophobicContact CG1-CD2 4.16Å |
| 903 | A | 94.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 28% | 0.281 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I899 M907 | I899-A903 WeakPolarHBondContact O-CB 3.49Å; I899-A903 PolarHBondContact O-N 2.86Å; A903-M907 PolarHBondContact O-N 3.1Å; A903-M907 VanDerWaalsContact O-N 3.13Å |
| 904 | T | 95.2 | Very high | 93.9 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 175.6 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | G900 T901 I902 H906 M907 V908 I949 Y952 L956 | G900-T904 WeakPolarHBondContact O-CB 3.42Å; G900-T904 PolarHBondContact O-N 3.38Å; G900-T904 VanDerWaalsContact O-N 3.08Å; G900-T904 PolarHBondContact O-OG1 2.88Å; T901-T904 PolarHBondContact O-N 3.47Å; I902-T904 VanDerWaalsContact C-N 3.32Å; I902-T904 PolarHBondContact O-N 2.85Å; T904-H906 VanDerWaalsContact C-N 3.35Å; T904-H906 PolarHBondContact O-N 2.76Å; T904-M907 PolarHBondContact O-N 3.32Å; T904-V908 WeakPolarHBondContact O-CG2 3.16Å; T904-V908 PolarHBondContact O-N 3.31Å; T904-I949 HydrophobicContact CG2-CD1 3.79Å; T904-Y952 HydrophobicContact CG2-CE1 4.03Å; T904-L956 HydrophobicContact CG2-CD1 4.44Å |
| 905 | S | 96.7 | Very high | 94 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 179.3 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | T901 I902 V908 A909 L943 | T901-S905 WeakPolarHBondContact O-CB 3.4Å; T901-S905 PolarHBondContact O-N 3.22Å; T901-S905 PolarHBondContact O-OG 3.21Å; I902-S905 PolarHBondContact O-N 3.39Å; I902-S905 VanDerWaalsContact O-N 3.12Å; S905-V908 PolarHBondContact O-N 2.99Å; S905-A909 VanDerWaalsContact O-CB 3.27Å; S905-A909 WeakPolarHBondContact O-CB 3.32Å; S905-A909 PolarHBondContact O-N 3.42Å; S905-L943 WeakPolarHBondContact OG-CD1 3.24Å |
| 906 | H | 97.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.069 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.1 | -53 | 174.1 | 175.3 | -85.9 | 0 | 0 | 0 | 111.1 | I803 I902 T904 V908 A909 A910 P920 L923 | I803-H906 VanDerWaalsContact CG2-CE1 3.41Å; I803-H906 WeakPolarHBondContact CG2-CE1 3.32Å; I803-H906 VanDerWaalsContact CG2-NE2 3.32Å; I803-H906 WeakPolarHBondContact CG2-NE2 3.47Å; I803-H906 PolarHBondContact O-CE1 3.49Å; I803-H906 PolarHBondContact O-NE2 3.45Å; I902-H906 WeakPolarHBondContact O-CB 3.32Å; I902-H906 PolarHBondContact O-N 3.16Å; T904-H906 VanDerWaalsContact C-N 3.35Å; T904-H906 PolarHBondContact O-N 2.76Å; H906-V908 VanDerWaalsContact C-N 3.31Å; H906-V908 PolarHBondContact O-N 3.35Å; H906-A909 PolarHBondContact O-N 3.33Å; H906-A910 VanDerWaalsContact O-CB 3.3Å; H906-A910 WeakPolarHBondContact O-CB 3.32Å; H906-A910 PolarHBondContact O-N 3.13Å; H906-P920 PolarHBondContact CD2-O 2.89Å; H906-P920 VanDerWaalsContact CD2-O 3.22Å; H906-L923 HydrophobicContact CB-CB 4.03Å |
| 907 | M | 96.7 | Very high | 94.4 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | -178.7 | -176.4 | 173 | 39.8 | 0 | 0 | 112.2 | R651 L655 A903 T904 D911 Y955 L956 | R651-M907 HydrophobicContact CB-SD 4.12Å; L655-M907 HydrophobicContact CD2-CG 4.19Å; A903-M907 PolarHBondContact O-N 3.1Å; A903-M907 VanDerWaalsContact O-N 3.13Å; T904-M907 PolarHBondContact O-N 3.32Å; M907-D911 WeakPolarHBondContact O-CB 3.38Å; M907-D911 PolarHBondContact O-N 2.81Å; M907-D911 VanDerWaalsContact O-N 3.08Å; M907-Y955 HydrophobicContact CG-CE2 4.23Å; M907-Y955 HydrophobicContact SD-CE2 3.82Å; M907-L956 HydrophobicContact CE-CD1 3.57Å; M907-L956 HydrophobicContact CE-CD2 3.5Å; M907-L956 HydrophobicContact CE-CG 4.13Å; M907-L956 HydrophobicContact CG-CD1 4.47Å; M907-L956 HydrophobicContact SD-CD1 4.38Å; M907-L956 HydrophobicContact SD-CD2 4.26Å |
| 908 | V | 96.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.9 | -42.2 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | T904 S905 H906 D911 R912 I949 Y952 P953 L956 | T904-V908 WeakPolarHBondContact O-CG2 3.16Å; T904-V908 PolarHBondContact O-N 3.31Å; S905-V908 PolarHBondContact O-N 2.99Å; H906-V908 VanDerWaalsContact C-N 3.31Å; H906-V908 PolarHBondContact O-N 3.35Å; V908-D911 PolarHBondContact O-N 3.12Å; V908-R912 WeakPolarHBondContact O-CB 3.46Å; V908-R912 PolarHBondContact O-N 3.08Å; V908-I949 HydrophobicContact CB-CD1 4.31Å; V908-I949 HydrophobicContact CB-CG1 4.11Å; V908-I949 HydrophobicContact CG1-CG1 4.25Å; V908-I949 HydrophobicContact CG1-CG2 4Å; V908-I949 HydrophobicContact CG2-CD1 3.91Å; V908-I949 HydrophobicContact CG2-CG1 4.21Å; V908-I949 HydrophobicContact CG2-CG2 4.39Å; V908-Y952 HydrophobicContact CG2-CD1 4.27Å; V908-P953 HydrophobicContact CG2-CG 4.2Å; V908-L956 HydrophobicContact CG2-CD1 3.71Å |
| 909 | A | 97.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | S905 H906 D911 R912 F913 V919 P920 L923 | S905-A909 VanDerWaalsContact O-CB 3.27Å; S905-A909 WeakPolarHBondContact O-CB 3.32Å; S905-A909 PolarHBondContact O-N 3.42Å; H906-A909 PolarHBondContact O-N 3.33Å; A909-D911 PolarHBondContact O-N 2.93Å; A909-R912 PolarHBondContact O-N 3.5Å; A909-F913 HydrophobicContact CB-CD2 4.11Å; A909-F913 WeakPolarHBondContact O-CB 3.45Å; A909-F913 WeakPolarHBondContact O-CD2 3.43Å; A909-F913 PolarHBondContact O-N 3.27Å; A909-V919 HydrophobicContact CB-CG1 3.91Å; A909-P920 HydrophobicContact CB-CG 3.83Å; A909-L923 HydrophobicContact CB-CD1 3.74Å |
| 910 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L655 Q659 H906 G914 I915 P920 | L655-A910 HydrophobicContact CD2-CB 3.82Å; Q659-A910 PolarHBondContact NE2-O 3.49Å; H906-A910 VanDerWaalsContact O-CB 3.3Å; H906-A910 WeakPolarHBondContact O-CB 3.32Å; H906-A910 PolarHBondContact O-N 3.13Å; A910-G914 CarbonylContact O-C 3.57Å; A910-G914 WeakPolarHBondContact O-CA 3.45Å; A910-G914 PolarHBondContact O-N 2.94Å; A910-I915 HydrophobicContact CB-CB 4.16Å; A910-I915 HydrophobicContact CB-CG1 4.2Å; A910-P920 HydrophobicContact CB-CB 4.4Å; A910-P920 HydrophobicContact CB-CG 4.24Å |
| 911 | D | 96.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -43.4 | 173.3 | -168.1 | -82.4 | 0 | 0 | 0 | 111.7 | M907 V908 A909 Y955 Y964 S966 W968 | M907-D911 WeakPolarHBondContact O-CB 3.38Å; M907-D911 PolarHBondContact O-N 2.81Å; M907-D911 VanDerWaalsContact O-N 3.08Å; V908-D911 PolarHBondContact O-N 3.12Å; A909-D911 PolarHBondContact O-N 2.93Å; D911-Y955 VanDerWaalsContact OD2-CE1 3.32Å; D911-Y955 WeakPolarHBondContact OD2-CE1 3.09Å; D911-Y955 PolarHBondContact OD2-OH 2.75Å; D911-Y964 VanDerWaalsContact OD1-CE2 3.23Å; D911-Y964 WeakPolarHBondContact OD1-CE2 3.45Å; D911-Y964 PolarHBondContact OD1-OH 3.35Å; D911-S966 PolarHBondContact OD1-OG 3.49Å; D911-S966 WeakPolarHBondContact OD2-CB 3.19Å; D911-S966 PolarHBondContact OD2-OG 2.84Å; D911-W968 PolarHBondContact O-NE1 3.32Å; D911-W968 VanDerWaalsContact OD2-CD1 3.28Å |
| 912 | R | 94.6 | Very high | 96.1 | Very high | 123 Ų | 123 | 37.6 Ų | 37.6 | 46% | 0.464 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -77.9 | -42.4 | -174.5 | -171.2 | 174.1 | -178.9 | 179.4 | -0.2 | 114.1 | V908 A909 E950 | V908-R912 WeakPolarHBondContact O-CB 3.46Å; V908-R912 PolarHBondContact O-N 3.08Å; A909-R912 PolarHBondContact O-N 3.5Å; R912-E950 IonicContact CZ-OE2 3.76Å; R912-E950 IonicContact NH1-OE2 2.76Å; R912-E950 PolarHBondContact NH1-OE2 3.41Å; R912-E950 VanDerWaalsContact NH1-OE2 3.11Å; R912-E950 IonicContact NH2-OE2 3.58Å |
| 913 | F | 95.4 | Very high | 96.1 | Very high | 102 Ų | 102 | 37.5 Ų | 37.5 | 45% | 0.447 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -113 | -10.2 | -170 | -53 | -60.2 | 0 | 0 | 0 | 113.3 | A909 S917 V919 | A909-F913 HydrophobicContact CB-CD2 4.11Å; A909-F913 WeakPolarHBondContact O-CB 3.45Å; A909-F913 WeakPolarHBondContact O-CD2 3.43Å; A909-F913 PolarHBondContact O-N 3.27Å; F913-S917 VanDerWaalsContact CB-OG 3.25Å; F913-S917 WeakPolarHBondContact CB-OG 3.45Å; F913-S917 PolarHBondContact O-OG 3.13Å; F913-V919 HydrophobicContact CD2-CB 4.39Å |
| 914 | G | 95.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | trans | 87.7 | 141.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A910 F916 S917 P920 | A910-G914 CarbonylContact O-C 3.57Å; A910-G914 WeakPolarHBondContact O-CA 3.45Å; A910-G914 PolarHBondContact O-N 2.94Å; G914-F916 PolarHBondContact O-N 3.38Å; G914-S917 WeakPolarHBondContact O-CB 3.46Å; G914-S917 PolarHBondContact O-N 3.26Å; G914-S917 PolarHBondContact O-OG 3.08Å; G914-P920 WeakPolarHBondContact O-CG 3.42Å | ||
| 915 | I | 95.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.9 | -173.6 | -160.8 | 170.1 | 0 | 0 | 0 | 113.3 | I656 Q659 P805 A910 S917 | I656-I915 HydrophobicContact CB-CD1 4.29Å; I656-I915 HydrophobicContact CG1-CD1 3.43Å; I656-I915 VanDerWaalsContact CG1-CD1 3.43Å; Q659-I915 HydrophobicContact CB-CG2 3.95Å; Q659-I915 VanDerWaalsContact OE1-CB 3.28Å; Q659-I915 VanDerWaalsContact OE1-CG2 3.29Å; P805-I915 HydrophobicContact CG-CD1 4.21Å; P805-I915 HydrophobicContact CG-CG1 4.39Å; P805-I915 HydrophobicContact CG-CG2 3.87Å; A910-I915 HydrophobicContact CB-CB 4.16Å; A910-I915 HydrophobicContact CB-CG1 4.2Å; I915-S917 VanDerWaalsContact C-N 3.34Å |
| 916 | F | 94.2 | Very high | 96.1 | Very high | 82 Ų | 82 | 38.4 Ų | 38.4 | 36% | 0.36 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -2.9 | 177.2 | -58.5 | -79.6 | 0 | 0 | 0 | 113.8 | V660 C663 P805 Y864 G914 | V660-F916 HydrophobicContact CG2-CZ 4.11Å; C663-F916 HydrophobicContact CB-CE2 4.15Å; C663-F916 HydrophobicContact CB-CZ 4.44Å; C663-F916 WeakPolarHBondContact SG-CE2 3.4Å; P805-F916 HydrophobicContact CB-CE1 3.97Å; P805-F916 HydrophobicContact CB-CZ 4.21Å; P805-F916 HydrophobicContact CG-CD1 4.13Å; P805-F916 HydrophobicContact CG-CE1 3.49Å; P805-F916 VanDerWaalsContact CG-CE1 3.49Å; P805-F916 HydrophobicContact CG-CZ 3.71Å; Y864-F916 AromaticContact CD1-CE1 3.72Å; Y864-F916 HydrophobicContact CD1-CE1 3.72Å; Y864-F916 HydrophobicContact CD1-CZ 4.43Å; Y864-F916 HydrophobicContact CE1-CD1 4.37Å; Y864-F916 AromaticContact CE1-CE1 3.38Å; Y864-F916 HydrophobicContact CE1-CE1 3.38Å; Y864-F916 AromaticContact CE1-CZ 3.81Å; Y864-F916 HydrophobicContact CE1-CZ 3.81Å; Y864-F916 HydrophobicContact CE2-CZ 4.33Å; Y864-F916 HydrophobicContact CG-CE1 4.41Å; Y864-F916 AromaticContact CZ-CE1 3.83Å; Y864-F916 AromaticContact CZ-CZ 3.74Å; G914-F916 PolarHBondContact O-N 3.38Å |
| 917 | S | 96 | Very high | 96 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 22% | 0.217 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -77.8 | 161.4 | 178.4 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | F913 G914 I915 V919 P920 M921 | F913-S917 VanDerWaalsContact CB-OG 3.25Å; F913-S917 WeakPolarHBondContact CB-OG 3.45Å; F913-S917 PolarHBondContact O-OG 3.13Å; G914-S917 WeakPolarHBondContact O-CB 3.46Å; G914-S917 PolarHBondContact O-N 3.26Å; G914-S917 PolarHBondContact O-OG 3.08Å; I915-S917 VanDerWaalsContact C-N 3.34Å; S917-V919 VanDerWaalsContact C-N 3.31Å; S917-V919 PolarHBondContact O-N 3.41Å; S917-P920 WeakPolarHBondContact O-CD 3.28Å; S917-P920 WeakPolarHBondContact OG-CD 3.3Å; S917-P920 WeakPolarHBondContact OG-CG 3.03Å; S917-M921 WeakPolarHBondContact O-CG 3.4Å; S917-M921 PolarHBondContact O-N 3.32Å |
| 918 | D | 96.1 | Very high | 95.8 | Very high | 124 Ų | 124 | 38.8 Ų | 38.8 | 66% | 0.663 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.5 | -35.9 | -174.6 | -66.4 | -30.9 | 0 | 0 | 0 | 113.2 | M921 Q922 | D918-M921 PolarHBondContact O-N 3.49Å; D918-Q922 WeakPolarHBondContact O-CB 3.47Å; D918-Q922 VanDerWaalsContact O-CG 3.27Å; D918-Q922 WeakPolarHBondContact O-CG 3.43Å; D918-Q922 PolarHBondContact O-N 3.3Å |
| 919 | V | 97.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -52.2 | -175.2 | 177 | 0 | 0 | 0 | 0 | 111.8 | A909 F913 S917 M921 Q922 L923 E946 E947 | A909-V919 HydrophobicContact CB-CG1 3.91Å; F913-V919 HydrophobicContact CD2-CB 4.39Å; S917-V919 VanDerWaalsContact C-N 3.31Å; S917-V919 PolarHBondContact O-N 3.41Å; V919-M921 VanDerWaalsContact C-N 3.32Å; V919-M921 PolarHBondContact O-N 3.4Å; V919-Q922 PolarHBondContact O-N 3.17Å; V919-L923 HydrophobicContact CG1-CD1 3.98Å; V919-L923 WeakPolarHBondContact O-CB 3.31Å; V919-L923 WeakPolarHBondContact O-CG 3.02Å; V919-L923 PolarHBondContact O-N 3.05Å; V919-E946 HydrophobicContact CG2-CB 4.45Å; V919-E947 HydrophobicContact CG1-CG 4.04Å |
| 920 | P | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.9 | -41.9 | 168.7 | -28.4 | 37.5 | 0 | 0 | 0 | 113.5 | H906 A909 A910 G914 S917 Q922 L923 A924 | H906-P920 PolarHBondContact CD2-O 2.89Å; H906-P920 VanDerWaalsContact CD2-O 3.22Å; A909-P920 HydrophobicContact CB-CG 3.83Å; A910-P920 HydrophobicContact CB-CB 4.4Å; A910-P920 HydrophobicContact CB-CG 4.24Å; G914-P920 WeakPolarHBondContact O-CG 3.42Å; S917-P920 WeakPolarHBondContact O-CD 3.28Å; S917-P920 WeakPolarHBondContact OG-CD 3.3Å; S917-P920 WeakPolarHBondContact OG-CG 3.03Å; P920-Q922 PolarHBondContact O-N 3.39Å; P920-L923 CarbonylContact O-C 3.59Å; P920-L923 WeakPolarHBondContact O-CB 3.47Å; P920-L923 PolarHBondContact O-N 2.7Å; P920-A924 WeakPolarHBondContact O-CB 3.48Å; P920-A924 PolarHBondContact O-N 2.83Å |
| 921 | M | 95.3 | Very high | 95 | Very high | 62 Ų | 62 | 45 Ų | 45 | 31% | 0.305 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.1 | -39 | 179.6 | -69.3 | -57.8 | -62.3 | 0 | 0 | 112.8 | V804 L867 S917 D918 V919 A924 N925 | V804-M921 HydrophobicContact CG1-CE 4.28Å; V804-M921 HydrophobicContact CG1-SD 3.85Å; L867-M921 HydrophobicContact CD1-CE 3.94Å; S917-M921 WeakPolarHBondContact O-CG 3.4Å; S917-M921 PolarHBondContact O-N 3.32Å; D918-M921 PolarHBondContact O-N 3.49Å; V919-M921 VanDerWaalsContact C-N 3.32Å; V919-M921 PolarHBondContact O-N 3.4Å; M921-A924 PolarHBondContact O-N 3.45Å; M921-N925 PolarHBondContact O-N 3.31Å; M921-N925 VanDerWaalsContact O-N 3.15Å; M921-N925 PolarHBondContact O-ND2 3.06Å |
| 922 | Q | 95.9 | Very high | 94.7 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 41% | 0.407 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 172 | -71 | 171.1 | 23.9 | 0 | 0 | 111.5 | D918 V919 P920 A924 N925 K926 | D918-Q922 WeakPolarHBondContact O-CB 3.47Å; D918-Q922 VanDerWaalsContact O-CG 3.27Å; D918-Q922 WeakPolarHBondContact O-CG 3.43Å; D918-Q922 PolarHBondContact O-N 3.3Å; V919-Q922 PolarHBondContact O-N 3.17Å; P920-Q922 PolarHBondContact O-N 3.39Å; Q922-A924 VanDerWaalsContact C-N 3.32Å; Q922-A924 PolarHBondContact O-N 3.12Å; Q922-N925 PolarHBondContact O-N 3.35Å; Q922-K926 PolarHBondContact O-N 3.48Å |
| 923 | L | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | 175.2 | -74.8 | 163.5 | 0 | 0 | 0 | 112.5 | I902 H906 A909 V919 P920 K926 H927 L943 E947 | I902-L923 HydrophobicContact CG2-CD2 4.34Å; I902-L923 WeakPolarHBondContact CG2-O 3.34Å; H906-L923 HydrophobicContact CB-CB 4.03Å; A909-L923 HydrophobicContact CB-CD1 3.74Å; V919-L923 HydrophobicContact CG1-CD1 3.98Å; V919-L923 WeakPolarHBondContact O-CB 3.31Å; V919-L923 WeakPolarHBondContact O-CG 3.02Å; V919-L923 PolarHBondContact O-N 3.05Å; P920-L923 CarbonylContact O-C 3.59Å; P920-L923 WeakPolarHBondContact O-CB 3.47Å; P920-L923 PolarHBondContact O-N 2.7Å; L923-K926 PolarHBondContact O-N 2.97Å; L923-H927 WeakPolarHBondContact O-CB 3.27Å; L923-H927 PolarHBondContact O-N 3.38Å; L923-L943 HydrophobicContact CD2-CD2 3.58Å; L923-E947 HydrophobicContact CD1-CB 4.38Å; L923-E947 HydrophobicContact CD1-CG 4.26Å; L923-E947 HydrophobicContact CD2-CB 4.01Å; L923-E947 HydrophobicContact CD2-CG 4Å; L923-E947 HydrophobicContact CG-CB 4.33Å; L923-E947 HydrophobicContact CG-CG 3.93Å |
| 924 | A | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I803 V804 L867 P920 M921 Q922 K926 H927 T928 | I803-A924 HydrophobicContact CG2-CB 3.75Å; V804-A924 HydrophobicContact CG1-CB 3.56Å; L867-A924 HydrophobicContact CD2-CB 4.43Å; P920-A924 WeakPolarHBondContact O-CB 3.48Å; P920-A924 PolarHBondContact O-N 2.83Å; M921-A924 PolarHBondContact O-N 3.45Å; Q922-A924 VanDerWaalsContact C-N 3.32Å; Q922-A924 PolarHBondContact O-N 3.12Å; A924-K926 PolarHBondContact O-N 2.99Å; A924-H927 WeakPolarHBondContact O-CB 3.45Å; A924-H927 PolarHBondContact O-N 3.07Å; A924-H927 VanDerWaalsContact O-N 3.13Å; A924-T928 PolarHBondContact O-N 3.42Å; A924-T928 PolarHBondContact O-OG1 3.5Å |
| 925 | N | 94.3 | Very high | 94 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 41% | 0.412 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60 | -44.6 | 173.3 | -71.2 | -44.6 | 0 | 0 | 0 | 112.1 | M921 Q922 H927 T928 M929 | M921-N925 PolarHBondContact O-N 3.31Å; M921-N925 VanDerWaalsContact O-N 3.15Å; M921-N925 PolarHBondContact O-ND2 3.06Å; Q922-N925 PolarHBondContact O-N 3.35Å; N925-H927 VanDerWaalsContact C-N 3.27Å; N925-H927 PolarHBondContact O-N 3.45Å; N925-T928 PolarHBondContact O-N 3.45Å; N925-M929 WeakPolarHBondContact O-CG 3.26Å; N925-M929 PolarHBondContact O-N 3.44Å |
| 926 | K | 95.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -35.1 | 174.8 | -69.4 | -179 | -176.9 | -176.9 | 0 | 112.1 | I902 Q922 L923 A924 M929 A930 P940 K942 L943 E947 | I902-K926 HydrophobicContact CD1-CB 4.19Å; I902-K926 HydrophobicContact CG2-CB 4.11Å; Q922-K926 PolarHBondContact O-N 3.48Å; L923-K926 PolarHBondContact O-N 2.97Å; A924-K926 PolarHBondContact O-N 2.99Å; K926-M929 PolarHBondContact O-N 3.32Å; K926-A930 WeakPolarHBondContact O-CB 3.4Å; K926-A930 PolarHBondContact O-N 3.2Å; K926-P940 HydrophobicContact CB-CB 4.38Å; K926-K942 PolarHBondContact NZ-O 3.15Å; K926-L943 HydrophobicContact CD-CD2 4.29Å; K926-E947 VanDerWaalsContact CE-OE1 3.29Å; K926-E947 WeakPolarHBondContact CE-OE1 3.44Å; K926-E947 IonicContact NZ-OE1 3.17Å; K926-E947 PolarHBondContact NZ-OE1 3.42Å; K926-E947 IonicContact NZ-OE2 3.69Å; K926-E947 PolarHBondContact NZ-OE2 3.37Å |
| 927 | H | 94.8 | Very high | 93.6 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 177.5 | -172.4 | -72.6 | 0 | 0 | 0 | 111.2 | I803 I899 I902 L923 A924 N925 M929 A930 V931 | I803-H927 HydrophobicContact CD1-CB 3.77Å; I803-H927 WeakPolarHBondContact CD1-CE1 3.26Å; I803-H927 WeakPolarHBondContact CD1-ND1 3.12Å; I899-H927 WeakPolarHBondContact CD1-NE2 3.38Å; I902-H927 HydrophobicContact CG2-CB 3.86Å; L923-H927 WeakPolarHBondContact O-CB 3.27Å; L923-H927 PolarHBondContact O-N 3.38Å; A924-H927 WeakPolarHBondContact O-CB 3.45Å; A924-H927 PolarHBondContact O-N 3.07Å; A924-H927 VanDerWaalsContact O-N 3.13Å; N925-H927 VanDerWaalsContact C-N 3.27Å; N925-H927 PolarHBondContact O-N 3.45Å; H927-M929 VanDerWaalsContact C-N 3.3Å; H927-M929 PolarHBondContact O-N 3.01Å; H927-A930 WeakPolarHBondContact O-CB 3.5Å; H927-A930 PolarHBondContact O-N 3.34Å; H927-A930 VanDerWaalsContact O-N 3.08Å; H927-V931 VanDerWaalsContact CE1-CG2 3.43Å; H927-V931 WeakPolarHBondContact CE1-CG2 3.41Å; H927-V931 WeakPolarHBondContact ND1-CG2 3.46Å; H927-V931 WeakPolarHBondContact O-CG2 3.11Å; H927-V931 PolarHBondContact O-N 2.7Å |
| 928 | T | 92.3 | Very high | 93.4 | Very high | 35 Ų | 35 | 40 Ų | 40 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.3 | -47.2 | 174.2 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | F869 A924 N925 A930 V931 D932 | F869-T928 HydrophobicContact CD1-CG2 3.55Å; F869-T928 HydrophobicContact CE1-CG2 3.9Å; A924-T928 PolarHBondContact O-N 3.42Å; A924-T928 PolarHBondContact O-OG1 3.5Å; N925-T928 PolarHBondContact O-N 3.45Å; T928-A930 VanDerWaalsContact C-N 3.34Å; T928-A930 PolarHBondContact O-N 2.83Å; T928-V931 PolarHBondContact O-N 3.33Å; T928-D932 PolarHBondContact O-N 2.94Å |
| 929 | M | 92.5 | Very high | 93.1 | Very high | 70 Ų | 70 | 37 Ų | 37 | 35% | 0.345 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 175.7 | -65.7 | 177.9 | 71.9 | 0 | 0 | 112.3 | N925 K926 H927 V931 D932 F933 I938 P940 | N925-M929 WeakPolarHBondContact O-CG 3.26Å; N925-M929 PolarHBondContact O-N 3.44Å; K926-M929 PolarHBondContact O-N 3.32Å; H927-M929 VanDerWaalsContact C-N 3.3Å; H927-M929 PolarHBondContact O-N 3.01Å; M929-V931 PolarHBondContact O-N 2.91Å; M929-D932 PolarHBondContact O-N 3.31Å; M929-F933 PolarHBondContact O-N 2.98Å; M929-I938 HydrophobicContact CE-CG2 3.94Å; M929-P940 HydrophobicContact CB-CB 4.13Å |
| 930 | A | 92.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -33.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I899 I902 K926 H927 T928 D932 P940 | I899-A930 HydrophobicContact CB-CB 4.14Å; I899-A930 HydrophobicContact CD1-CB 3.52Å; I899-A930 HydrophobicContact CG1-CB 4.42Å; I902-A930 HydrophobicContact CD1-CB 3.87Å; K926-A930 WeakPolarHBondContact O-CB 3.4Å; K926-A930 PolarHBondContact O-N 3.2Å; H927-A930 WeakPolarHBondContact O-CB 3.5Å; H927-A930 PolarHBondContact O-N 3.34Å; H927-A930 VanDerWaalsContact O-N 3.08Å; T928-A930 VanDerWaalsContact C-N 3.34Å; T928-A930 PolarHBondContact O-N 2.83Å; A930-D932 VanDerWaalsContact C-N 3.33Å; A930-P940 HydrophobicContact CB-CG 4.08Å |
| 931 | V | 90.2 | Very high | 92.6 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -39 | 175.8 | 170 | 0 | 0 | 0 | 0 | 111.2 | I899 H927 T928 M929 P934 | I899-V931 HydrophobicContact CD1-CG2 3.69Å; H927-V931 VanDerWaalsContact CE1-CG2 3.43Å; H927-V931 WeakPolarHBondContact CE1-CG2 3.41Å; H927-V931 WeakPolarHBondContact ND1-CG2 3.46Å; H927-V931 WeakPolarHBondContact O-CG2 3.11Å; H927-V931 PolarHBondContact O-N 2.7Å; T928-V931 PolarHBondContact O-N 3.33Å; M929-V931 PolarHBondContact O-N 2.91Å; V931-P934 WeakPolarHBondContact O-CD 3.35Å |
| 932 | D | 89.6 | Confident | 92.5 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -92.1 | -9.3 | -178.1 | -85.4 | -28.3 | 0 | 0 | 0 | 114.5 | T928 M929 A930 P934 K935 T936 | T928-D932 PolarHBondContact O-N 2.94Å; M929-D932 PolarHBondContact O-N 3.31Å; A930-D932 VanDerWaalsContact C-N 3.33Å; D932-P934 VanDerWaalsContact C-N 3.3Å; D932-P934 VanDerWaalsContact O-N 3.17Å; D932-K935 WeakPolarHBondContact O-CA 3.45Å; D932-K935 PolarHBondContact O-N 2.83Å; D932-K935 IonicContact OD1-NZ 2.75Å; D932-K935 PolarHBondContact OD1-NZ 3.16Å; D932-T936 HydrophobicContact CB-CG2 4.03Å; D932-T936 PolarHBondContact O-N 3.18Å; D932-T936 PolarHBondContact O-OG1 2.85Å; D932-T936 VanDerWaalsContact O-OG1 3.12Å |
| 933 | F | 92.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -45.5 | -43.5 | 173.8 | 171.8 | -131.7 | 0 | 0 | 0 | 114.2 | F889 Y893 M929 K935 T936 G937 I938 V939 | F889-F933 HydrophobicContact CE2-CE2 4.09Å; F889-F933 HydrophobicContact CE2-CZ 4.4Å; Y893-F933 AromaticContact CD2-CD1 3.62Å; Y893-F933 HydrophobicContact CD2-CD1 3.62Å; Y893-F933 AromaticContact CD2-CE1 3.29Å; Y893-F933 HydrophobicContact CD2-CE1 3.29Å; Y893-F933 HydrophobicContact CD2-CZ 4Å; Y893-F933 AromaticContact CE2-CD1 3.68Å; Y893-F933 HydrophobicContact CE2-CD1 3.68Å; Y893-F933 AromaticContact CE2-CE1 3.8Å; Y893-F933 HydrophobicContact CE2-CE1 3.8Å; Y893-F933 HydrophobicContact CG-CE1 4.04Å; M929-F933 PolarHBondContact O-N 2.98Å; F933-K935 PolarHBondContact O-N 2.85Å; F933-K935 VanDerWaalsContact O-N 3.08Å; F933-T936 PolarHBondContact O-N 3.2Å; F933-G937 WeakPolarHBondContact O-CA 3Å; F933-G937 PolarHBondContact O-N 3.17Å; F933-I938 WeakPolarHBondContact CD2-O 3.47Å; F933-V939 HydrophobicContact CD2-CG2 4.11Å; F933-V939 HydrophobicContact CE2-CG2 3.48Å; F933-V939 VanDerWaalsContact CE2-CG2 3.48Å; F933-V939 HydrophobicContact CZ-CG2 3.78Å |
| 934 | P | 91.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.9 | -22.8 | 174.2 | -22.9 | 30.1 | 0 | 0 | 0 | 115.5 | L488 P522 Y893 V931 D932 | L488-P934 HydrophobicContact CD2-CB 4.24Å; P522-P934 WeakPolarHBondContact CB-O 3.48Å; Y893-P934 HydrophobicContact CE2-CB 4.35Å; Y893-P934 HydrophobicContact CE2-CG 3.8Å; V931-P934 WeakPolarHBondContact O-CD 3.35Å; D932-P934 VanDerWaalsContact C-N 3.3Å; D932-P934 VanDerWaalsContact O-N 3.17Å |
| 935 | K | 88.4 | Confident | 92 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 39% | 0.391 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -108.6 | -29 | -176.3 | -55.4 | 173.2 | -163.8 | 152.7 | 0 | 112.8 | K523 D932 F933 | K523-K935 PolarHBondContact N-O 3.48Å; D932-K935 WeakPolarHBondContact O-CA 3.45Å; D932-K935 PolarHBondContact O-N 2.83Å; D932-K935 IonicContact OD1-NZ 2.75Å; D932-K935 PolarHBondContact OD1-NZ 3.16Å; F933-K935 PolarHBondContact O-N 2.85Å; F933-K935 VanDerWaalsContact O-N 3.08Å |
| 936 | T | 90.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 17% | 0.166 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -98.1 | -29 | -176.8 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | V874 D932 F933 I938 | V874-T936 WeakPolarHBondContact CG1-O 3.32Å; V874-T936 HydrophobicContact CG2-CG2 4.05Å; D932-T936 HydrophobicContact CB-CG2 4.03Å; D932-T936 PolarHBondContact O-N 3.18Å; D932-T936 PolarHBondContact O-OG1 2.85Å; D932-T936 VanDerWaalsContact O-OG1 3.12Å; F933-T936 PolarHBondContact O-N 3.2Å; T936-I938 PolarHBondContact O-N 3.01Å; T936-I938 PolarHBondContact OG1-N 2.83Å |
| 937 | G | 90.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 56.9 Ų | 56.9 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | trans | 71.9 | 4.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | F933 | F933-G937 WeakPolarHBondContact O-CA 3Å; F933-G937 PolarHBondContact O-N 3.17Å | ||
| 938 | I | 91.4 | Very high | 91.8 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | trans | -90.7 | 115 | 179.8 | -58.8 | 175 | 0 | 0 | 0 | 108.4 | T872 M929 F933 T936 | T872-I938 HydrophobicContact CG2-CD1 3.45Å; T872-I938 VanDerWaalsContact CG2-CD1 3.45Å; M929-I938 HydrophobicContact CE-CG2 3.94Å; F933-I938 WeakPolarHBondContact CD2-O 3.47Å; T936-I938 PolarHBondContact O-N 3.01Å; T936-I938 PolarHBondContact OG1-N 2.83Å | ||
| 939 | V | 91 | Very high | 91.7 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 133.8 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | F933 | F933-V939 HydrophobicContact CD2-CG2 4.11Å; F933-V939 HydrophobicContact CE2-CG2 3.48Å; F933-V939 VanDerWaalsContact CE2-CG2 3.48Å; F933-V939 HydrophobicContact CZ-CG2 3.78Å |
| 940 | P | 91.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 65.3 Ų | 65.3 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 151.5 | 171.6 | 28.3 | -37.5 | 0 | 0 | 0 | 111.2 | S898 I902 K926 M929 A930 | S898-P940 WeakPolarHBondContact OG-CG 3.48Å; I902-P940 HydrophobicContact CD1-CB 4.13Å; I902-P940 HydrophobicContact CD1-CG 3.78Å; K926-P940 HydrophobicContact CB-CB 4.38Å; M929-P940 HydrophobicContact CB-CB 4.13Å; A930-P940 HydrophobicContact CB-CG 4.08Å |
| 941 | E | 91.9 | Very high | 91.1 | Very high | 145 Ų | 145 | 68.4 Ų | 68.4 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 147.4 | 173.9 | -65.8 | -177.9 | 176.9 | 0 | 0 | 111.6 | ||
| 942 | K | 91.7 | Very high | 91.2 | Very high | 190 Ų | 190 | 66.8 Ų | 66.8 | 83% | 0.826 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 150.5 | 176.3 | -67.7 | -177.7 | -179.4 | 176.6 | 0 | 110.4 | K926 T944 | K926-K942 PolarHBondContact NZ-O 3.15Å; K942-T944 PolarHBondContact O-N 3.05Å |
| 943 | L | 93.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 129.6 | 176.3 | -60.9 | -176.1 | 0 | 0 | 0 | 110.9 | T901 I902 S905 L923 K926 E947 R948 | T901-L943 HydrophobicContact CG2-CD1 3.97Å; I902-L943 HydrophobicContact CG1-CD2 4.16Å; S905-L943 WeakPolarHBondContact OG-CD1 3.24Å; L923-L943 HydrophobicContact CD2-CD2 3.58Å; K926-L943 HydrophobicContact CD-CD2 4.29Å; L943-E947 VanDerWaalsContact CA-OE2 3.24Å; L943-E947 WeakPolarHBondContact CA-OE2 3.4Å; L943-E947 HydrophobicContact CB-CB 4.19Å; L943-E947 HydrophobicContact CD2-CB 4.24Å; L943-R948 HydrophobicContact CB-CG 4.01Å; L943-R948 PolarHBondContact O-NE 2.91Å; L943-R948 VanDerWaalsContact O-NE 3.15Å; L943-R948 PolarHBondContact O-NH2 3.4Å |
| 944 | T | 94.6 | Very high | 91.2 | Very high | 58 Ų | 58 | 65 Ų | 65 | 36% | 0.356 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 171.3 | 171.8 | 71 | 0 | 0 | 0 | 0 | 110.1 | K942 E946 E947 R948 | K942-T944 PolarHBondContact O-N 3.05Å; T944-E946 VanDerWaalsContact C-N 3.3Å; T944-E946 PolarHBondContact O-N 3.23Å; T944-E947 PolarHBondContact N-OE2 3.22Å; T944-E947 PolarHBondContact O-N 2.88Å; T944-E947 VanDerWaalsContact OG1-CG 3.26Å; T944-E947 WeakPolarHBondContact OG1-CG 3.29Å; T944-E947 PolarHBondContact OG1-N 2.85Å; T944-E947 PolarHBondContact OG1-OE2 3.34Å; T944-R948 VanDerWaalsContact O-CG 3.28Å; T944-R948 WeakPolarHBondContact O-CG 3.24Å; T944-R948 PolarHBondContact O-N 2.93Å |
| 945 | C | 91.1 | Very high | 91.3 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 70% | 0.703 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -36.5 | 178.4 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | R948 | C945-R948 PolarHBondContact O-N 3.13Š|
| 946 | E | 92.3 | Very high | 91.3 | Very high | 144 Ų | 144 | 61 Ų | 61 | 67% | 0.673 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -31.5 | -179.4 | -64.4 | 175.5 | -172.2 | 0 | 0 | 112.8 | V919 T944 R948 | V919-E946 HydrophobicContact CG2-CB 4.45Å; T944-E946 VanDerWaalsContact C-N 3.3Å; T944-E946 PolarHBondContact O-N 3.23Å; E946-R948 VanDerWaalsContact C-N 3.31Å |
| 947 | E | 94.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.9 | 176.7 | -71.1 | 172.1 | 154.4 | 0 | 0 | 113.3 | V919 L923 K926 L943 T944 | V919-E947 HydrophobicContact CG1-CG 4.04Å; L923-E947 HydrophobicContact CD1-CB 4.38Å; L923-E947 HydrophobicContact CD1-CG 4.26Å; L923-E947 HydrophobicContact CD2-CB 4.01Å; L923-E947 HydrophobicContact CD2-CG 4Å; L923-E947 HydrophobicContact CG-CB 4.33Å; L923-E947 HydrophobicContact CG-CG 3.93Å; K926-E947 VanDerWaalsContact CE-OE1 3.29Å; K926-E947 WeakPolarHBondContact CE-OE1 3.44Å; K926-E947 IonicContact NZ-OE1 3.17Å; K926-E947 PolarHBondContact NZ-OE1 3.42Å; K926-E947 IonicContact NZ-OE2 3.69Å; K926-E947 PolarHBondContact NZ-OE2 3.37Å; L943-E947 VanDerWaalsContact CA-OE2 3.24Å; L943-E947 WeakPolarHBondContact CA-OE2 3.4Å; L943-E947 HydrophobicContact CB-CB 4.19Å; L943-E947 HydrophobicContact CD2-CB 4.24Å; T944-E947 PolarHBondContact N-OE2 3.22Å; T944-E947 PolarHBondContact O-N 2.88Å; T944-E947 VanDerWaalsContact OG1-CG 3.26Å; T944-E947 WeakPolarHBondContact OG1-CG 3.29Å; T944-E947 PolarHBondContact OG1-N 2.85Å; T944-E947 PolarHBondContact OG1-OE2 3.34Å |
| 948 | R | 92.1 | Very high | 89.4 | Confident | 146 Ų | 146 | 67.7 Ų | 67.7 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -76.2 | 135.9 | 180 | -76.6 | 170 | -165.1 | -172.3 | 4.8 | 110.8 | L943 T944 C945 E946 E950 | L943-R948 HydrophobicContact CB-CG 4.01Å; L943-R948 PolarHBondContact O-NE 2.91Å; L943-R948 VanDerWaalsContact O-NE 3.15Å; L943-R948 PolarHBondContact O-NH2 3.4Å; T944-R948 VanDerWaalsContact O-CG 3.28Å; T944-R948 WeakPolarHBondContact O-CG 3.24Å; T944-R948 PolarHBondContact O-N 2.93Å; C945-R948 PolarHBondContact O-N 3.13Å; E946-R948 VanDerWaalsContact C-N 3.31Å; R948-E950 PolarHBondContact O-N 3.4Å |
| 949 | I | 90.9 | Very high | 88.1 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 19% | 0.185 | 32% | 0.323 | C | S | . | . | trans | -74.5 | 115.6 | 178.8 | -54.7 | 166 | 0 | 0 | 0 | 110.8 | T904 V908 K951 Y952 | T904-I949 HydrophobicContact CG2-CD1 3.79Å; V908-I949 HydrophobicContact CB-CD1 4.31Å; V908-I949 HydrophobicContact CB-CG1 4.11Å; V908-I949 HydrophobicContact CG1-CG1 4.25Å; V908-I949 HydrophobicContact CG1-CG2 4Å; V908-I949 HydrophobicContact CG2-CD1 3.91Å; V908-I949 HydrophobicContact CG2-CG1 4.21Å; V908-I949 HydrophobicContact CG2-CG2 4.39Å; I949-K951 VanDerWaalsContact CG2-O 3.32Å; I949-K951 WeakPolarHBondContact CG2-O 3.45Å; I949-Y952 HydrophobicContact CB-CE1 4.46Å; I949-Y952 HydrophobicContact CB-CE2 4.25Å; I949-Y952 HydrophobicContact CD1-CD1 4.38Å; I949-Y952 HydrophobicContact CD1-CE1 3.59Å; I949-Y952 HydrophobicContact CG2-CD1 4.03Å; I949-Y952 HydrophobicContact CG2-CD2 3.7Å; I949-Y952 HydrophobicContact CG2-CE1 3.87Å; I949-Y952 HydrophobicContact CG2-CE2 3.48Å; I949-Y952 VanDerWaalsContact CG2-CE2 3.48Å; I949-Y952 HydrophobicContact CG2-CG 3.96Å | ||
| 950 | E | 85.4 | Confident | 87 | Confident | 114 Ų | 114 | 66.8 Ų | 66.8 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -85.7 | -49.7 | 169.1 | -62.5 | 177 | 147.2 | 0 | 0 | 111.9 | R912 R948 P962 | R912-E950 IonicContact CZ-OE2 3.76Å; R912-E950 IonicContact NH1-OE2 2.76Å; R912-E950 PolarHBondContact NH1-OE2 3.41Å; R912-E950 VanDerWaalsContact NH1-OE2 3.11Å; R912-E950 IonicContact NH2-OE2 3.58Å; R948-E950 PolarHBondContact O-N 3.4Å; E950-P962 WeakPolarHBondContact O-CG 3.46Å |
| 951 | K | 87.7 | Confident | 86.6 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -126.9 | 143.4 | 178.7 | -58.3 | -175.2 | 178.2 | -177.4 | 0 | 110.2 | I949 P962 Y964 | I949-K951 VanDerWaalsContact CG2-O 3.32Å; I949-K951 WeakPolarHBondContact CG2-O 3.45Å; K951-P962 WeakPolarHBondContact CA-O 3.29Å; K951-P962 HydrophobicContact CB-CG 4.44Å; K951-P962 HydrophobicContact CG-CB 4.11Å; K951-P962 HydrophobicContact CG-CG 3.95Å; K951-Y964 HydrophobicContact CB-CD1 3.82Å; K951-Y964 HydrophobicContact CB-CE1 4.44Å |
| 952 | Y | 91.9 | Very high | 86.1 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.6 | 178.3 | -71.4 | -98.7 | 0 | 0 | 0 | 111 | T904 V908 I949 L956 F958 R961 P962 T963 Y964 | T904-Y952 HydrophobicContact CG2-CE1 4.03Å; V908-Y952 HydrophobicContact CG2-CD1 4.27Å; I949-Y952 HydrophobicContact CB-CE1 4.46Å; I949-Y952 HydrophobicContact CB-CE2 4.25Å; I949-Y952 HydrophobicContact CD1-CD1 4.38Å; I949-Y952 HydrophobicContact CD1-CE1 3.59Å; I949-Y952 HydrophobicContact CG2-CD1 4.03Å; I949-Y952 HydrophobicContact CG2-CD2 3.7Å; I949-Y952 HydrophobicContact CG2-CE1 3.87Å; I949-Y952 HydrophobicContact CG2-CE2 3.48Å; I949-Y952 VanDerWaalsContact CG2-CE2 3.48Å; I949-Y952 HydrophobicContact CG2-CG 3.96Å; Y952-L956 HydrophobicContact CD1-CB 4.29Å; Y952-F958 AromaticContact CD1-CD2 3.39Å; Y952-F958 HydrophobicContact CD1-CD2 3.39Å; Y952-F958 AromaticContact CD1-CE2 3.42Å; Y952-F958 HydrophobicContact CD1-CE2 3.42Å; Y952-F958 VanDerWaalsContact CD1-CE2 3.42Å; Y952-F958 HydrophobicContact CD2-CD2 4.38Å; Y952-F958 AromaticContact CE1-CD2 3.49Å; Y952-F958 HydrophobicContact CE1-CD2 3.49Å; Y952-F958 VanDerWaalsContact CE1-CD2 3.49Å; Y952-F958 AromaticContact CE1-CE2 3.35Å; Y952-F958 HydrophobicContact CE1-CE2 3.35Å; Y952-F958 HydrophobicContact CE1-CZ 4.3Å; Y952-F958 HydrophobicContact CE2-CD2 4.5Å; Y952-F958 AromaticContact CG-CD2 3.86Å; Y952-F958 HydrophobicContact CG-CD2 3.86Å; Y952-F958 HydrophobicContact CG-CE2 4.33Å; Y952-R961 HydrophobicContact CD2-CB 3.65Å; Y952-R961 HydrophobicContact CD2-CG 4.2Å; Y952-R961 HydrophobicContact CE2-CB 3.74Å; Y952-R961 HydrophobicContact CE2-CG 3.76Å; Y952-P962 PolarHBondContact N-O 3.04Å; Y952-T963 CarbonylContact O-C 3.54Å; Y952-T963 WeakPolarHBondContact O-CA 3.5Å; Y952-T963 WeakPolarHBondContact O-CB 3.45Å; Y952-Y964 VanDerWaalsContact C-CD1 3.49Å; Y952-Y964 VanDerWaalsContact C-CE1 3.42Å; Y952-Y964 VanDerWaalsContact O-CD1 3.26Å; Y952-Y964 WeakPolarHBondContact O-CD1 3.29Å; Y952-Y964 PolarHBondContact O-N 2.86Å |
| 953 | P | 93.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 148.4 | 167 | 29.3 | -33.3 | 0 | 0 | 0 | 109.4 | V908 Y955 L956 Y964 | V908-P953 HydrophobicContact CG2-CG 4.2Å; P953-Y955 HydrophobicContact CB-CD1 3.73Å; P953-Y955 HydrophobicContact CB-CE1 3.32Å; P953-Y955 HydrophobicContact CG-CD1 4.11Å; P953-Y955 HydrophobicContact CG-CE1 3.49Å; P953-Y955 VanDerWaalsContact CG-CE1 3.49Å; P953-Y955 HydrophobicContact CG-CE2 4.17Å; P953-Y955 PolarHBondContact O-N 2.89Å; P953-Y955 VanDerWaalsContact O-N 3.13Å; P953-L956 HydrophobicContact CG-CB 4.26Å; P953-L956 HydrophobicContact CG-CD1 3.73Å; P953-L956 HydrophobicContact CG-CG 3.95Å; P953-L956 CarbonylContact O-C 3.5Å; P953-L956 WeakPolarHBondContact O-CA 3.32Å; P953-L956 PolarHBondContact O-N 3.13Å; P953-Y964 CarbonylContact C-O 3.55Å; P953-Y964 WeakPolarHBondContact CA-O 3.41Å; P953-Y964 HydrophobicContact CB-CE1 4.12Å; P953-Y964 HydrophobicContact CB-CE2 4.03Å; P953-Y964 VanDerWaalsContact N-CE1 3.29Å |
| 954 | D | 89 | Confident | 85.7 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.8 | -172.2 | 66.2 | -42.9 | 0 | 0 | 0 | 114.9 | L956 Y964 S966 R975 | D954-L956 VanDerWaalsContact C-N 3.25Å; D954-L956 PolarHBondContact O-N 3.17Å; D954-Y964 WeakPolarHBondContact CB-O 3.39Å; D954-Y964 PolarHBondContact N-O 2.9Å; D954-S966 PolarHBondContact OD1-N 2.89Å; D954-R975 VanDerWaalsContact CG-NH1 3.34Å; D954-R975 IonicContact OD1-NH1 3.89Å; D954-R975 PolarHBondContact OD1-NH1 3.21Å; D954-R975 VanDerWaalsContact OD2-CD 3.27Å; D954-R975 WeakPolarHBondContact OD2-CD 3.48Å; D954-R975 WeakPolarHBondContact OD2-CG 3.23Å; D954-R975 IonicContact OD2-CZ 2.98Å; D954-R975 IonicContact OD2-NE 3.59Å; D954-R975 IonicContact OD2-NH1 3.96Å; D954-R975 PolarHBondContact OD2-NH1 2.9Å |
| 955 | Y | 92.5 | Very high | 85.4 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -13.6 | 170.5 | 66.9 | -93.4 | 0 | 0 | 0 | 114 | R651 M907 D911 P953 P970 T974 | R651-Y955 PolarHBondContact NH2-O 3Å; M907-Y955 HydrophobicContact CG-CE2 4.23Å; M907-Y955 HydrophobicContact SD-CE2 3.82Å; D911-Y955 VanDerWaalsContact OD2-CE1 3.32Å; D911-Y955 WeakPolarHBondContact OD2-CE1 3.09Å; D911-Y955 PolarHBondContact OD2-OH 2.75Å; P953-Y955 HydrophobicContact CB-CD1 3.73Å; P953-Y955 HydrophobicContact CB-CE1 3.32Å; P953-Y955 HydrophobicContact CG-CD1 4.11Å; P953-Y955 HydrophobicContact CG-CE1 3.49Å; P953-Y955 VanDerWaalsContact CG-CE1 3.49Å; P953-Y955 HydrophobicContact CG-CE2 4.17Å; P953-Y955 PolarHBondContact O-N 2.89Å; P953-Y955 VanDerWaalsContact O-N 3.13Å; Y955-P970 HydrophobicContact CD1-CB 3.99Å; Y955-P970 HydrophobicContact CD2-CB 4.11Å; Y955-P970 HydrophobicContact CE1-CB 4.07Å; Y955-P970 HydrophobicContact CE2-CB 4.18Å; Y955-P970 HydrophobicContact CG-CB 4.03Å; Y955-T974 WeakPolarHBondContact CB-OG1 3.2Å |
| 956 | L | 89.5 | Confident | 85.5 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -109.5 | 68.6 | 172.6 | -56.8 | 179.1 | 0 | 0 | 0 | 110 | T904 M907 V908 Y952 P953 D954 F958 | T904-L956 HydrophobicContact CG2-CD1 4.44Å; M907-L956 HydrophobicContact CE-CD1 3.57Å; M907-L956 HydrophobicContact CE-CD2 3.5Å; M907-L956 HydrophobicContact CE-CG 4.13Å; M907-L956 HydrophobicContact CG-CD1 4.47Å; M907-L956 HydrophobicContact SD-CD1 4.38Å; M907-L956 HydrophobicContact SD-CD2 4.26Å; V908-L956 HydrophobicContact CG2-CD1 3.71Å; Y952-L956 HydrophobicContact CD1-CB 4.29Å; P953-L956 HydrophobicContact CG-CB 4.26Å; P953-L956 HydrophobicContact CG-CD1 3.73Å; P953-L956 HydrophobicContact CG-CG 3.95Å; P953-L956 CarbonylContact O-C 3.5Å; P953-L956 WeakPolarHBondContact O-CA 3.32Å; P953-L956 PolarHBondContact O-N 3.13Å; D954-L956 VanDerWaalsContact C-N 3.25Å; D954-L956 PolarHBondContact O-N 3.17Å; L956-F958 HydrophobicContact CB-CE2 4.07Å; L956-F958 VanDerWaalsContact O-CD2 3.24Å; L956-F958 WeakPolarHBondContact O-CD2 3.29Å; L956-F958 PolarHBondContact O-N 3.43Å |
| 957 | W | 71.2 | Confident | 85.5 | Confident | 101 Ų | 101 | 57 Ų | 57 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | trans | -77.3 | 112.1 | -175 | -175.4 | 60.9 | 0 | 0 | 0 | 112.8 | R978 D1322 | W957-R978 VanDerWaalsContact CE3-NH2 3.26Å; W957-D1322 HydrophobicContact CH2-CB 3.86Å; W957-D1322 WeakPolarHBondContact CH2-OD2 3.11Å; W957-D1322 HydrophobicContact CZ2-CB 3.9Å | ||
| 958 | F | 70 | Confident | 85.5 | Confident | 95 Ų | 95 | 59 Ų | 59 | 42% | 0.417 | 26% | 0.264 | S | S | . | . | trans | -117.2 | 90.3 | 167.8 | -59.5 | -87.7 | 0 | 0 | 0 | 108 | Y952 L956 S960 R961 | Y952-F958 AromaticContact CD1-CD2 3.39Å; Y952-F958 HydrophobicContact CD1-CD2 3.39Å; Y952-F958 AromaticContact CD1-CE2 3.42Å; Y952-F958 HydrophobicContact CD1-CE2 3.42Å; Y952-F958 VanDerWaalsContact CD1-CE2 3.42Å; Y952-F958 HydrophobicContact CD2-CD2 4.38Å; Y952-F958 AromaticContact CE1-CD2 3.49Å; Y952-F958 HydrophobicContact CE1-CD2 3.49Å; Y952-F958 VanDerWaalsContact CE1-CD2 3.49Å; Y952-F958 AromaticContact CE1-CE2 3.35Å; Y952-F958 HydrophobicContact CE1-CE2 3.35Å; Y952-F958 HydrophobicContact CE1-CZ 4.3Å; Y952-F958 HydrophobicContact CE2-CD2 4.5Å; Y952-F958 AromaticContact CG-CD2 3.86Å; Y952-F958 HydrophobicContact CG-CD2 3.86Å; Y952-F958 HydrophobicContact CG-CE2 4.33Å; L956-F958 HydrophobicContact CB-CE2 4.07Å; L956-F958 VanDerWaalsContact O-CD2 3.24Å; L956-F958 WeakPolarHBondContact O-CD2 3.29Å; L956-F958 PolarHBondContact O-N 3.43Å; F958-S960 PolarHBondContact O-N 2.9Å; F958-R961 HydrophobicContact CB-CB 4.37Å; F958-R961 HydrophobicContact CB-CG 4.32Å; F958-R961 PolarHBondContact O-N 3.1Å | ||
| 959 | G | 63.4 | Low | 85.6 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 26% | 0.258 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 2.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 960 | S | 68.4 | Low | 85.8 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 44% | 0.441 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -0 | 172 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | F958 T1325 K1359 | F958-S960 PolarHBondContact O-N 2.9Å; S960-T1325 VanDerWaalsContact C-OG1 3.29Å; S960-T1325 PolarHBondContact O-OG1 3.08Å; S960-K1359 PolarHBondContact O-NZ 2.95Å |
| 961 | R | 82.3 | Confident | 86.3 | Confident | 144 Ų | 144 | 45.1 Ų | 45.1 | 54% | 0.543 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -120.3 | 148.6 | -177.2 | -64.2 | -65.5 | -171.1 | 175.5 | 1.8 | 109.8 | Y952 F958 | Y952-R961 HydrophobicContact CD2-CB 3.65Å; Y952-R961 HydrophobicContact CD2-CG 4.2Å; Y952-R961 HydrophobicContact CE2-CB 3.74Å; Y952-R961 HydrophobicContact CE2-CG 3.76Å; F958-R961 HydrophobicContact CB-CB 4.37Å; F958-R961 HydrophobicContact CB-CG 4.32Å; F958-R961 PolarHBondContact O-N 3.1Å |
| 962 | P | 83 | Confident | 86.4 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 146.6 | 178.4 | 30.7 | -36.9 | 0 | 0 | 0 | 110.7 | E950 K951 Y952 T1325 Y1363 | E950-P962 WeakPolarHBondContact O-CG 3.46Å; K951-P962 WeakPolarHBondContact CA-O 3.29Å; K951-P962 HydrophobicContact CB-CG 4.44Å; K951-P962 HydrophobicContact CG-CB 4.11Å; K951-P962 HydrophobicContact CG-CG 3.95Å; Y952-P962 PolarHBondContact N-O 3.04Å; P962-T1325 WeakPolarHBondContact CA-O 3.4Å; P962-T1325 HydrophobicContact CB-CG2 4.23Å; P962-Y1363 HydrophobicContact CB-CE1 4.31Å; P962-Y1363 HydrophobicContact CG-CD1 4.48Å; P962-Y1363 HydrophobicContact CG-CE1 3.87Å |
| 963 | T | 87.7 | Confident | 86.5 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 15% | 0.153 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.7 | -179.3 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | Y952 | Y952-T963 CarbonylContact O-C 3.54Å; Y952-T963 WeakPolarHBondContact O-CA 3.5Å; Y952-T963 WeakPolarHBondContact O-CB 3.45Å |
| 964 | Y | 88.8 | Confident | 86.5 | Confident | 43 Ų | 43 | 43 Ų | 43 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 158.9 | 169.2 | 68.6 | -88.5 | 0 | 0 | 0 | 110.4 | D911 K951 Y952 P953 D954 S966 | D911-Y964 VanDerWaalsContact OD1-CE2 3.23Å; D911-Y964 WeakPolarHBondContact OD1-CE2 3.45Å; D911-Y964 PolarHBondContact OD1-OH 3.35Å; K951-Y964 HydrophobicContact CB-CD1 3.82Å; K951-Y964 HydrophobicContact CB-CE1 4.44Å; Y952-Y964 VanDerWaalsContact C-CD1 3.49Å; Y952-Y964 VanDerWaalsContact C-CE1 3.42Å; Y952-Y964 VanDerWaalsContact O-CD1 3.26Å; Y952-Y964 WeakPolarHBondContact O-CD1 3.29Å; Y952-Y964 PolarHBondContact O-N 2.86Å; P953-Y964 CarbonylContact C-O 3.55Å; P953-Y964 WeakPolarHBondContact CA-O 3.41Å; P953-Y964 HydrophobicContact CB-CE1 4.12Å; P953-Y964 HydrophobicContact CB-CE2 4.03Å; P953-Y964 VanDerWaalsContact N-CE1 3.29Å; D954-Y964 WeakPolarHBondContact CB-O 3.39Å; D954-Y964 PolarHBondContact N-O 2.9Å; Y964-S966 PolarHBondContact O-N 3.49Å |
| 965 | R | 88.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 44.7 Ų | 44.7 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | trans | -79.3 | 113.6 | -179.6 | -169 | 172 | -174.7 | 151.7 | 1.7 | 110.3 | ||||
| 966 | S | 93.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -71.5 | 137.4 | 175 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | D911 D954 Y964 W968 R975 | D911-S966 PolarHBondContact OD1-OG 3.49Å; D911-S966 WeakPolarHBondContact OD2-CB 3.19Å; D911-S966 PolarHBondContact OD2-OG 2.84Å; D954-S966 PolarHBondContact OD1-N 2.89Å; Y964-S966 PolarHBondContact O-N 3.49Å; S966-W968 PolarHBondContact OG-N 3.37Å; S966-R975 PolarHBondContact O-NH1 3.46Å | ||
| 967 | K | 91.2 | Very high | 86.6 | Confident | 162 Ų | 162 | 45.1 Ų | 45.1 | 70% | 0.704 | 21% | 0.208 | S | C | * | . | trans | -92.3 | -21.2 | 178.9 | -44.8 | -176.8 | -173 | -173.9 | 0 | 111.9 | ||||
| 968 | W | 94.7 | Very high | 87.4 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 17% | 0.167 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -79.5 | 156.2 | 179.9 | -58.8 | 105.3 | 0 | 0 | 0 | 110.8 | L655 D658 Q659 E662 D911 S966 P970 G971 P972 | L655-W968 HydrophobicContact CD1-CB 3.8Å; L655-W968 HydrophobicContact CD1-CG 3.96Å; D658-W968 WeakPolarHBondContact OD2-CA 3.46Å; Q659-W968 HydrophobicContact CB-CZ3 4.46Å; Q659-W968 HydrophobicContact CG-CD2 3.92Å; Q659-W968 HydrophobicContact CG-CE3 3.63Å; Q659-W968 HydrophobicContact CG-CH2 3.82Å; Q659-W968 HydrophobicContact CG-CZ2 4.07Å; Q659-W968 HydrophobicContact CG-CZ3 3.6Å; E662-W968 HydrophobicContact CB-CZ3 4.4Å; E662-W968 HydrophobicContact CG-CH2 4.44Å; E662-W968 HydrophobicContact CG-CZ3 4.44Å; D911-W968 PolarHBondContact O-NE1 3.32Å; D911-W968 VanDerWaalsContact OD2-CD1 3.28Å; S966-W968 PolarHBondContact OG-N 3.37Å; W968-P970 VanDerWaalsContact C-N 3.28Å; W968-P970 WeakPolarHBondContact O-CD 3.43Å; W968-G971 PolarHBondContact O-N 3.41Å; W968-P972 WeakPolarHBondContact O-CD 3.44Å |
| 969 | L | 95 | Very high | 88.2 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -37.8 | -172.8 | -172.6 | 58.5 | 0 | 0 | 0 | 115 | I654 D658 Q673 I676 G971 P972 M973 | I654-L969 HydrophobicContact CG2-CB 4.08Å; I654-L969 HydrophobicContact CG2-CD2 3.82Å; I654-L969 HydrophobicContact CG2-CG 3.92Å; D658-L969 HydrophobicContact CB-CB 4Å; D658-L969 VanDerWaalsContact OD2-CB 3.3Å; D658-L969 WeakPolarHBondContact OD2-CB 3.47Å; D658-L969 PolarHBondContact OD2-N 3.44Å; Q673-L969 HydrophobicContact CG-CD1 4.36Å; Q673-L969 HydrophobicContact CG-CD2 4.24Å; I676-L969 HydrophobicContact CB-CD2 3.92Å; I676-L969 HydrophobicContact CD1-CD2 3.75Å; I676-L969 HydrophobicContact CG1-CD2 4.43Å; I676-L969 HydrophobicContact CG2-CD2 3.76Å; L969-G971 VanDerWaalsContact C-N 3.26Å; L969-G971 PolarHBondContact O-N 3.37Å; L969-P972 WeakPolarHBondContact O-CD 3.49Å; L969-M973 HydrophobicContact CD1-CG 3.87Å; L969-M973 HydrophobicContact CD1-SD 3.69Å; L969-M973 HydrophobicContact CD2-SD 4.16Å; L969-M973 HydrophobicContact CG-CG 4.21Å; L969-M973 HydrophobicContact CG-SD 3.48Å; L969-M973 WeakPolarHBondContact CG-SD 3.27Å; L969-M973 WeakPolarHBondContact O-CB 3.42Å; L969-M973 WeakPolarHBondContact O-CG 3.2Å; L969-M973 PolarHBondContact O-N 3.03Å |
| 970 | P | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.7 | -33.3 | 174.7 | -27.6 | 36.9 | 0 | 0 | 0 | 115.2 | I654 L655 L746 Y955 W968 T974 | I654-P970 HydrophobicContact CG2-CG 4.02Å; L655-P970 HydrophobicContact CB-CG 4.29Å; L655-P970 HydrophobicContact CD1-CG 4.33Å; L746-P970 HydrophobicContact CD1-CB 3.86Å; Y955-P970 HydrophobicContact CD1-CB 3.99Å; Y955-P970 HydrophobicContact CD2-CB 4.11Å; Y955-P970 HydrophobicContact CE1-CB 4.07Å; Y955-P970 HydrophobicContact CE2-CB 4.18Å; Y955-P970 HydrophobicContact CG-CB 4.03Å; W968-P970 VanDerWaalsContact C-N 3.28Å; W968-P970 WeakPolarHBondContact O-CD 3.43Å; P970-T974 VanDerWaalsContact O-CB 3.24Å; P970-T974 WeakPolarHBondContact O-CB 3.39Å; P970-T974 PolarHBondContact O-N 2.96Å; P970-T974 VanDerWaalsContact O-N 3.07Å; P970-T974 PolarHBondContact O-OG1 2.83Å |
| 971 | G | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -68.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | W968 L969 M973 T974 R975 | W968-G971 PolarHBondContact O-N 3.41Å; L969-G971 VanDerWaalsContact C-N 3.26Å; L969-G971 PolarHBondContact O-N 3.37Å; G971-M973 VanDerWaalsContact C-N 3.27Å; G971-M973 PolarHBondContact O-N 3.11Å; G971-T974 PolarHBondContact O-N 3.45Å; G971-R975 PolarHBondContact O-N 2.77Å |
| 972 | P | 90.7 | Very high | 90.2 | Very high | 53 Ų | 53 | 30.7 Ų | 30.7 | 34% | 0.344 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -52.5 | -41.5 | 178.2 | -22.9 | 30 | 0 | 0 | 0 | 113.6 | W968 L969 R975 R976 | W968-P972 WeakPolarHBondContact O-CD 3.44Å; L969-P972 WeakPolarHBondContact O-CD 3.49Å; P972-R975 VanDerWaalsContact CG-NH2 3.32Å; P972-R975 PolarHBondContact O-N 3.33Å; P972-R976 PolarHBondContact O-N 2.81Å |
| 973 | M | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | -180 | -67.6 | 179.3 | 84.9 | 0 | 0 | 112.4 | I654 I676 L680 L746 I748 L969 G971 R975 R976 V977 | I654-M973 HydrophobicContact CG2-SD 4.43Å; I676-M973 HydrophobicContact CG2-CE 3.49Å; I676-M973 VanDerWaalsContact CG2-CE 3.49Å; I676-M973 HydrophobicContact CG2-SD 3.78Å; L680-M973 HydrophobicContact CB-CE 3.68Å; L680-M973 HydrophobicContact CD2-CB 3.93Å; L680-M973 HydrophobicContact CD2-CE 3.59Å; L680-M973 HydrophobicContact CD2-CG 4.11Å; L680-M973 HydrophobicContact CG-CE 4.16Å; L746-M973 HydrophobicContact CD1-CB 4.28Å; L746-M973 HydrophobicContact CD2-CB 3.73Å; I748-M973 HydrophobicContact CD1-CE 3.18Å; L969-M973 HydrophobicContact CD1-CG 3.87Å; L969-M973 HydrophobicContact CD1-SD 3.69Å; L969-M973 HydrophobicContact CD2-SD 4.16Å; L969-M973 HydrophobicContact CG-CG 4.21Å; L969-M973 HydrophobicContact CG-SD 3.48Å; L969-M973 WeakPolarHBondContact CG-SD 3.27Å; L969-M973 WeakPolarHBondContact O-CB 3.42Å; L969-M973 WeakPolarHBondContact O-CG 3.2Å; L969-M973 PolarHBondContact O-N 3.03Å; G971-M973 VanDerWaalsContact C-N 3.27Å; G971-M973 PolarHBondContact O-N 3.11Å; M973-R975 VanDerWaalsContact C-N 3.33Å; M973-R975 PolarHBondContact O-N 2.93Å; M973-R976 WeakPolarHBondContact O-CB 3.47Å; M973-R976 PolarHBondContact O-N 3.34Å; M973-V977 WeakPolarHBondContact O-CG2 3.33Å; M973-V977 PolarHBondContact O-N 2.89Å |
| 974 | T | 93.7 | Very high | 90 | Very high | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 178.6 | -59 | 0 | 0 | 0 | 0 | 111 | L744 Y955 P970 G971 R976 V977 R978 | L744-T974 HydrophobicContact CD1-CG2 4.08Å; Y955-T974 WeakPolarHBondContact CB-OG1 3.2Å; P970-T974 VanDerWaalsContact O-CB 3.24Å; P970-T974 WeakPolarHBondContact O-CB 3.39Å; P970-T974 PolarHBondContact O-N 2.96Å; P970-T974 VanDerWaalsContact O-N 3.07Å; P970-T974 PolarHBondContact O-OG1 2.83Å; G971-T974 PolarHBondContact O-N 3.45Å; T974-R976 VanDerWaalsContact C-N 3.31Å; T974-R976 PolarHBondContact O-N 2.97Å; T974-V977 PolarHBondContact O-N 2.93Å; T974-R978 WeakPolarHBondContact O-CB 2.9Å; T974-R978 PolarHBondContact O-N 3.05Å |
| 975 | R | 89.2 | Confident | 89.5 | Confident | 60 Ų | 60 | 33.9 Ų | 33.9 | 23% | 0.226 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 173.1 | -70 | -173.9 | -67.5 | -93.7 | 8.1 | 111.5 | D954 S966 G971 P972 M973 R978 S979 | D954-R975 VanDerWaalsContact CG-NH1 3.34Å; D954-R975 IonicContact OD1-NH1 3.89Å; D954-R975 PolarHBondContact OD1-NH1 3.21Å; D954-R975 VanDerWaalsContact OD2-CD 3.27Å; D954-R975 WeakPolarHBondContact OD2-CD 3.48Å; D954-R975 WeakPolarHBondContact OD2-CG 3.23Å; D954-R975 IonicContact OD2-CZ 2.98Å; D954-R975 IonicContact OD2-NE 3.59Å; D954-R975 IonicContact OD2-NH1 3.96Å; D954-R975 PolarHBondContact OD2-NH1 2.9Å; S966-R975 PolarHBondContact O-NH1 3.46Å; G971-R975 PolarHBondContact O-N 2.77Å; P972-R975 VanDerWaalsContact CG-NH2 3.32Å; P972-R975 PolarHBondContact O-N 3.33Å; M973-R975 VanDerWaalsContact C-N 3.33Å; M973-R975 PolarHBondContact O-N 2.93Å; R975-R978 PolarHBondContact O-N 3.42Å; R975-S979 PolarHBondContact O-N 3.2Å |
| 976 | R | 90.1 | Very high | 88.6 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 9% | 0.087 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.4 | -170.4 | 168.4 | 178.4 | 99.4 | -6.2 | 112.3 | N681 P972 M973 T974 R978 S979 G1265 F1291 | N681-R976 PolarHBondContact OD1-NE 2.94Å; N681-R976 PolarHBondContact OD1-NH2 2.8Å; P972-R976 PolarHBondContact O-N 2.81Å; M973-R976 WeakPolarHBondContact O-CB 3.47Å; M973-R976 PolarHBondContact O-N 3.34Å; T974-R976 VanDerWaalsContact C-N 3.31Å; T974-R976 PolarHBondContact O-N 2.97Å; R976-R978 VanDerWaalsContact C-N 3.32Å; R976-R978 PolarHBondContact O-N 2.84Å; R976-S979 PolarHBondContact O-N 2.82Å; R976-S979 PolarHBondContact O-OG 3.49Å; R976-G1265 PolarHBondContact NH2-O 2.85Å; R976-F1291 HydrophobicContact CG-CE1 4.06Å; R976-F1291 HydrophobicContact CG-CE2 4.26Å; R976-F1291 HydrophobicContact CG-CZ 3.82Å; R976-F1291 VanDerWaalsContact CZ-CD2 3.47Å |
| 977 | V | 93.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.2 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | L680 V739 L743 L744 M973 T974 S979 V980 I981 | L680-V977 HydrophobicContact CD1-CG2 3.83Å; L680-V977 HydrophobicContact CD2-CG2 4.16Å; V739-V977 HydrophobicContact CG1-CG1 3.98Å; L743-V977 HydrophobicContact CB-CG1 4Å; L743-V977 HydrophobicContact CB-CG2 4.2Å; L744-V977 HydrophobicContact CB-CG1 4.44Å; M973-V977 WeakPolarHBondContact O-CG2 3.33Å; M973-V977 PolarHBondContact O-N 2.89Å; T974-V977 PolarHBondContact O-N 2.93Å; V977-S979 VanDerWaalsContact C-N 3.29Å; V977-S979 PolarHBondContact O-N 2.86Å; V977-V980 WeakPolarHBondContact O-CB 3.26Å; V977-V980 PolarHBondContact O-N 2.85Å; V977-I981 HydrophobicContact CG1-CD1 4.41Å; V977-I981 PolarHBondContact O-N 2.87Å; V977-I981 VanDerWaalsContact O-N 3.12Å |
| 978 | R | 88.3 | Confident | 85.6 | Confident | 73 Ų | 73 | 29.8 Ų | 29.8 | 28% | 0.275 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 178 | -165.4 | 166.9 | -169.9 | 161.9 | 3 | 111.1 | W957 T974 R975 R976 V980 I981 D982 | W957-R978 VanDerWaalsContact CE3-NH2 3.26Å; T974-R978 WeakPolarHBondContact O-CB 2.9Å; T974-R978 PolarHBondContact O-N 3.05Å; R975-R978 PolarHBondContact O-N 3.42Å; R976-R978 VanDerWaalsContact C-N 3.32Å; R976-R978 PolarHBondContact O-N 2.84Å; R978-V980 PolarHBondContact O-N 3.44Å; R978-I981 WeakPolarHBondContact O-CA 3.29Å; R978-I981 WeakPolarHBondContact O-CB 3.33Å; R978-I981 PolarHBondContact O-N 2.84Å; R978-D982 WeakPolarHBondContact O-CB 3.5Å; R978-D982 PolarHBondContact O-N 3.32Å |
| 979 | S | 85.6 | Confident | 83.6 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.2 | -24.3 | 175.6 | 79.6 | 0 | 0 | 0 | 0 | 114.4 | R975 R976 V977 D982 I983 F1291 | R975-S979 PolarHBondContact O-N 3.2Å; R976-S979 PolarHBondContact O-N 2.82Å; R976-S979 PolarHBondContact O-OG 3.49Å; V977-S979 VanDerWaalsContact C-N 3.29Å; V977-S979 PolarHBondContact O-N 2.86Å; S979-D982 VanDerWaalsContact CA-OD2 3.24Å; S979-D982 WeakPolarHBondContact CA-OD2 3.47Å; S979-D982 PolarHBondContact N-OD2 3.34Å; S979-I983 WeakPolarHBondContact O-CD1 3.27Å; S979-I983 VanDerWaalsContact O-CG1 3.27Å; S979-I983 WeakPolarHBondContact O-CG1 3.05Å; S979-I983 PolarHBondContact O-N 3.35Å; S979-F1291 WeakPolarHBondContact OG-CE1 3.09Å |
| 980 | V | 90 | Very high | 81.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -81.6 | -41.7 | 172.1 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | L684 Y735 V739 V977 R978 D982 I983 I984 F1291 | L684-V980 HydrophobicContact CD2-CG2 4.2Å; Y735-V980 HydrophobicContact CE1-CG1 3.72Å; Y735-V980 WeakPolarHBondContact OH-CG1 3.36Å; V739-V980 HydrophobicContact CG1-CB 4.41Å; V739-V980 HydrophobicContact CG1-CG1 4.16Å; V739-V980 HydrophobicContact CG2-CG1 4.35Å; V977-V980 WeakPolarHBondContact O-CB 3.26Å; V977-V980 PolarHBondContact O-N 2.85Å; R978-V980 PolarHBondContact O-N 3.44Å; V980-D982 PolarHBondContact O-N 3.35Å; V980-I983 WeakPolarHBondContact O-CB 3.34Å; V980-I983 PolarHBondContact O-N 3.23Å; V980-I984 WeakPolarHBondContact O-CG1 3.35Å; V980-I984 PolarHBondContact O-N 3.46Å; V980-F1291 HydrophobicContact CG2-CE1 3.56Å; V980-F1291 HydrophobicContact CG2-CZ 3.44Å; V980-F1291 VanDerWaalsContact CG2-CZ 3.44Å |
| 981 | I | 87.4 | Confident | 79.1 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.2 | -41.8 | 173.4 | -67.3 | 175.9 | 0 | 0 | 0 | 110.6 | V739 K740 L744 V977 R978 I983 I984 D985 | V739-I981 HydrophobicContact CG1-CD1 4.3Å; V739-I981 HydrophobicContact CG1-CG1 3.53Å; K740-I981 HydrophobicContact CG-CD1 4.26Å; K740-I981 HydrophobicContact CG-CG1 4.1Å; K740-I981 HydrophobicContact CG-CG2 4.45Å; L744-I981 HydrophobicContact CB-CD1 4.08Å; L744-I981 HydrophobicContact CD1-CD1 3.82Å; L744-I981 HydrophobicContact CD2-CD1 3.87Å; L744-I981 HydrophobicContact CG-CD1 4.13Å; V977-I981 HydrophobicContact CG1-CD1 4.41Å; V977-I981 PolarHBondContact O-N 2.87Å; V977-I981 VanDerWaalsContact O-N 3.12Å; R978-I981 WeakPolarHBondContact O-CA 3.29Å; R978-I981 WeakPolarHBondContact O-CB 3.33Å; R978-I981 PolarHBondContact O-N 2.84Å; I981-I983 VanDerWaalsContact C-N 3.32Å; I981-I983 PolarHBondContact O-N 2.72Å; I981-I984 WeakPolarHBondContact O-CA 3.19Å; I981-I984 WeakPolarHBondContact O-CB 3.37Å; I981-I984 PolarHBondContact O-N 3.48Å; I981-I984 VanDerWaalsContact O-N 3.1Å; I981-D985 PolarHBondContact O-N 2.75Å |
| 982 | D | 78.7 | Confident | 77.2 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 176 | -66 | -33.5 | 0 | 0 | 0 | 112.2 | R978 S979 V980 D985 L986 L1372 F1376 | R978-D982 WeakPolarHBondContact O-CB 3.5Å; R978-D982 PolarHBondContact O-N 3.32Å; S979-D982 VanDerWaalsContact CA-OD2 3.24Å; S979-D982 WeakPolarHBondContact CA-OD2 3.47Å; S979-D982 PolarHBondContact N-OD2 3.34Å; V980-D982 PolarHBondContact O-N 3.35Å; D982-D985 PolarHBondContact O-N 2.85Å; D982-L986 WeakPolarHBondContact O-CB 3.27Å; D982-L986 WeakPolarHBondContact O-CG 3.09Å; D982-L986 PolarHBondContact O-N 2.91Å; D982-L1372 HydrophobicContact CB-CD2 3.52Å; D982-L1372 HydrophobicContact CB-CG 4.35Å; D982-F1376 HydrophobicContact CB-CE2 4.06Å; D982-F1376 HydrophobicContact CB-CZ 4.38Å; D982-F1376 WeakPolarHBondContact OD1-CZ 3.48Å; D982-F1376 WeakPolarHBondContact OD2-CE2 3.49Å; D982-F1376 WeakPolarHBondContact OD2-CZ 3.24Å |
| 983 | I | 83.7 | Confident | 75.6 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 174.4 | -63.8 | 164.1 | 0 | 0 | 0 | 110.6 | S979 V980 I981 D985 L986 S987 K1292 H1295 K1296 L1299 | S979-I983 WeakPolarHBondContact O-CD1 3.27Å; S979-I983 VanDerWaalsContact O-CG1 3.27Å; S979-I983 WeakPolarHBondContact O-CG1 3.05Å; S979-I983 PolarHBondContact O-N 3.35Å; V980-I983 WeakPolarHBondContact O-CB 3.34Å; V980-I983 PolarHBondContact O-N 3.23Å; I981-I983 VanDerWaalsContact C-N 3.32Å; I981-I983 PolarHBondContact O-N 2.72Å; I983-D985 VanDerWaalsContact C-N 3.3Å; I983-D985 PolarHBondContact O-N 2.98Å; I983-L986 PolarHBondContact O-N 3.29Å; I983-S987 WeakPolarHBondContact O-CA 3.24Å; I983-S987 WeakPolarHBondContact O-CB 3.01Å; I983-S987 PolarHBondContact O-N 2.89Å; I983-S987 PolarHBondContact O-OG 3.42Å; I983-K1292 HydrophobicContact CD1-CB 4.2Å; I983-K1292 HydrophobicContact CD1-CG 4.4Å; I983-K1292 WeakPolarHBondContact CD1-O 3.11Å; I983-H1295 HydrophobicContact CD1-CB 3.72Å; I983-K1296 HydrophobicContact CG2-CB 3.99Å; I983-K1296 HydrophobicContact CG2-CG 4.48Å; I983-L1299 HydrophobicContact CB-CD1 4.12Å; I983-L1299 HydrophobicContact CG2-CB 4.42Å; I983-L1299 HydrophobicContact CG2-CD1 3.54Å |
| 984 | I | 84.2 | Confident | 74.3 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 174.4 | -61.8 | 168 | 0 | 0 | 0 | 109.6 | Y735 V739 V980 I981 S987 L1299 | Y735-I984 HydrophobicContact CD1-CD1 3.8Å; Y735-I984 HydrophobicContact CD1-CG1 4.13Å; Y735-I984 HydrophobicContact CE1-CD1 3.68Å; Y735-I984 HydrophobicContact CE1-CG1 3.82Å; V739-I984 HydrophobicContact CB-CD1 4.08Å; V739-I984 HydrophobicContact CG1-CD1 4.04Å; V980-I984 WeakPolarHBondContact O-CG1 3.35Å; V980-I984 PolarHBondContact O-N 3.46Å; I981-I984 WeakPolarHBondContact O-CA 3.19Å; I981-I984 WeakPolarHBondContact O-CB 3.37Å; I981-I984 PolarHBondContact O-N 3.48Å; I981-I984 VanDerWaalsContact O-N 3.1Å; I984-S987 PolarHBondContact O-N 3.36Å; I984-S987 PolarHBondContact O-OG 3.47Å; I984-L1299 HydrophobicContact CG1-CD1 3.78Å; I984-L1299 HydrophobicContact CG1-CD2 4.27Å |
| 985 | D | 76.7 | Confident | 73.4 | Confident | 105 Ų | 105 | 48.9 Ų | 48.9 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.6 | -30.9 | -176.3 | -69.3 | -13.2 | 0 | 0 | 0 | 112.4 | K740 I981 D982 I983 | K740-D985 WeakPolarHBondContact CE-OD1 3.48Å; K740-D985 IonicContact NZ-OD1 3.48Å; K740-D985 PolarHBondContact NZ-OD1 2.81Å; I981-D985 PolarHBondContact O-N 2.75Å; D982-D985 PolarHBondContact O-N 2.85Å; I983-D985 VanDerWaalsContact C-N 3.3Å; I983-D985 PolarHBondContact O-N 2.98Å |
| 986 | L | 70.4 | Confident | 73.2 | Confident | 78 Ų | 78 | 47.4 Ų | 47.4 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -79.6 | -27.6 | 171.3 | -73.9 | 177.1 | 0 | 0 | 0 | 114.1 | D982 I983 S988 L1372 | D982-L986 WeakPolarHBondContact O-CB 3.27Å; D982-L986 WeakPolarHBondContact O-CG 3.09Å; D982-L986 PolarHBondContact O-N 2.91Å; I983-L986 PolarHBondContact O-N 3.29Å; L986-S988 PolarHBondContact O-N 2.88Å; L986-L1372 HydrophobicContact CD1-CB 3.97Å; L986-L1372 HydrophobicContact CD1-CD2 3.25Å; L986-L1372 HydrophobicContact CD1-CG 4.22Å; L986-L1372 HydrophobicContact CD2-CB 4.28Å; L986-L1372 HydrophobicContact CD2-CD2 4.02Å; L986-L1372 HydrophobicContact CG-CB 4.43Å; L986-L1372 HydrophobicContact CG-CD2 3.42Å; L986-L1372 VanDerWaalsContact CG-CD2 3.42Å |
| 987 | S | 67.4 | Low | 73.1 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -65.9 | 112.4 | -172.1 | 63.6 | 0 | 0 | 0 | 0 | 109.2 | I983 I984 V989 | I983-S987 WeakPolarHBondContact O-CA 3.24Å; I983-S987 WeakPolarHBondContact O-CB 3.01Å; I983-S987 PolarHBondContact O-N 2.89Å; I983-S987 PolarHBondContact O-OG 3.42Å; I984-S987 PolarHBondContact O-N 3.36Å; I984-S987 PolarHBondContact O-OG 3.47Å; S987-V989 VanDerWaalsContact C-N 3.31Å; S987-V989 PolarHBondContact O-N 3.39Å | ||
| 988 | S | 54.3 | Low | 72.9 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | trans | -65.2 | 103.2 | 157.4 | 45.1 | 0 | 0 | 0 | 0 | 105.3 | L986 R990 | L986-S988 PolarHBondContact O-N 2.88Å; S988-R990 PolarHBondContact O-N 3Å | ||
| 989 | V | 51.9 | Low | 73 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | trans | -46.1 | 121.7 | 170.1 | 178.1 | 0 | 0 | 0 | 0 | 105.6 | L732 S987 S991 | L732-V989 HydrophobicContact CD1-CG1 3.82Å; S987-V989 VanDerWaalsContact C-N 3.31Å; S987-V989 PolarHBondContact O-N 3.39Å; V989-S991 PolarHBondContact O-N 3.39Å | ||
| 990 | R | 48 | Very low | 73.3 | Confident | 40 Ų | 40 | 53 Ų | 53 | 15% | 0.151 | 30% | 0.3 | C | S | . | . | trans | -38.7 | 111.8 | 172.7 | -119.9 | 177.3 | -173.8 | -148.4 | 3.4 | 105.9 | S988 F992 S1300 G1301 | S988-R990 PolarHBondContact O-N 3Å; R990-F992 HydrophobicContact CB-CD2 3.92Å; R990-F992 HydrophobicContact CB-CE2 3.52Å; R990-F992 HydrophobicContact CB-CZ 4.28Å; R990-F992 HydrophobicContact CG-CE2 4.31Å; R990-F992 VanDerWaalsContact O-CD2 3.27Å; R990-F992 WeakPolarHBondContact O-CD2 3.49Å; R990-F992 PolarHBondContact O-N 2.87Å; R990-S1300 WeakPolarHBondContact CD-O 3.16Å; R990-S1300 VanDerWaalsContact CG-O 3.23Å; R990-S1300 WeakPolarHBondContact CG-O 3.47Å; R990-G1301 PolarHBondContact NE-O 3.19Å; R990-G1301 PolarHBondContact NH2-O 3.33Å | ||
| 991 | S | 49.6 | Very low | 73.4 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 71% | 0.713 | 31% | 0.306 | S | S | * | . | trans | -65.9 | 92.9 | 171.2 | 54.6 | 0 | 0 | 0 | 0 | 104.9 | V989 D993 | V989-S991 PolarHBondContact O-N 3.39Å; S991-D993 PolarHBondContact O-N 3.12Å; S991-D993 VanDerWaalsContact O-N 3.11Å | ||
| 992 | F | 53.3 | Low | 73.7 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | trans | -68 | 109.4 | 167.4 | -76.4 | -93.3 | 0 | 0 | 0 | 104.7 | V725 R728 R990 A994 | V725-F992 HydrophobicContact CG1-CB 4.45Å; V725-F992 HydrophobicContact CG2-CB 3.62Å; V725-F992 HydrophobicContact CG2-CD1 4.28Å; V725-F992 HydrophobicContact CG2-CG 4.08Å; R728-F992 HydrophobicContact CG-CE2 4.48Å; R728-F992 VanDerWaalsContact NE-CE2 3.28Å; R990-F992 HydrophobicContact CB-CD2 3.92Å; R990-F992 HydrophobicContact CB-CE2 3.52Å; R990-F992 HydrophobicContact CB-CZ 4.28Å; R990-F992 HydrophobicContact CG-CE2 4.31Å; R990-F992 VanDerWaalsContact O-CD2 3.27Å; R990-F992 WeakPolarHBondContact O-CD2 3.49Å; R990-F992 PolarHBondContact O-N 2.87Å; F992-A994 PolarHBondContact O-N 2.93Å | ||
| 993 | D | 57.2 | Low | 74.3 | Confident | 146 Ų | 146 | 56.4 Ų | 56.4 | 78% | 0.781 | 33% | 0.33 | S | S | * | . | trans | -53.6 | 116.9 | 150.1 | -75.1 | -27.7 | 0 | 0 | 0 | 104.8 | S991 S995 | S991-D993 PolarHBondContact O-N 3.12Å; S991-D993 VanDerWaalsContact O-N 3.11Å; D993-S995 PolarHBondContact O-N 3.35Å | ||
| 994 | A | 66.3 | Low | 74.7 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 26% | 0.256 | 36% | 0.356 | S | S | . | . | trans | -60.3 | 92.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | F992 V996 F1123 | F992-A994 PolarHBondContact O-N 2.93Å; A994-V996 PolarHBondContact O-N 2.91Å; A994-F1123 HydrophobicContact CB-CE1 3.94Å; A994-F1123 HydrophobicContact CB-CZ 4.01Å | ||
| 995 | S | 74.7 | Confident | 75.1 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 53% | 0.531 | 35% | 0.354 | S | S | . | . | trans | -79.8 | 117.8 | -179.4 | 62.9 | 0 | 0 | 0 | 0 | 108.1 | D993 D997 | D993-S995 PolarHBondContact O-N 3.35Å; S995-D997 PolarHBondContact O-N 2.83Å | ||
| 996 | V | 85.9 | Confident | 75.9 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | trans | -64.6 | 123.9 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | A994 F998 Y1107 M1108 R1112 | A994-V996 PolarHBondContact O-N 2.91Å; V996-F998 HydrophobicContact CB-CE2 4.36Å; V996-F998 WeakPolarHBondContact O-CD2 3.24Å; V996-F998 PolarHBondContact O-N 2.72Å; V996-F998 VanDerWaalsContact O-N 3.13Å; V996-Y1107 HydrophobicContact CG1-CE1 4.18Å; V996-M1108 HydrophobicContact CG1-CE 3.84Å; V996-M1108 HydrophobicContact CG1-SD 3.48Å; V996-M1108 WeakPolarHBondContact CG1-SD 3.18Å; V996-R1112 HydrophobicContact CG2-CG 4.13Å | ||
| 997 | D | 88.2 | Confident | 77.1 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | trans | -74.6 | 100.2 | 168.5 | -173.4 | -8.1 | 0 | 0 | 0 | 109.5 | S995 D999 L1000 Y1107 K1137 | S995-D997 PolarHBondContact O-N 2.83Å; D997-D999 PolarHBondContact O-N 3.11Å; D997-D999 VanDerWaalsContact OD1-CB 3.24Å; D997-D999 WeakPolarHBondContact OD1-CB 3.09Å; D997-D999 PolarHBondContact OD1-N 3.14Å; D997-L1000 HydrophobicContact CB-CD1 4.18Å; D997-L1000 HydrophobicContact CB-CG 4.3Å; D997-L1000 WeakPolarHBondContact O-CB 3.3Å; D997-L1000 PolarHBondContact O-N 2.94Å; D997-L1000 VanDerWaalsContact O-N 3.13Å; D997-Y1107 HydrophobicContact CB-CE1 4.37Å; D997-Y1107 WeakPolarHBondContact CB-OH 3.32Å; D997-Y1107 PolarHBondContact N-OH 3.39Å; D997-K1137 IonicContact OD1-NZ 2.71Å; D997-K1137 PolarHBondContact OD1-NZ 3.13Å; D997-K1137 IonicContact OD2-NZ 3.73Å; D997-K1137 PolarHBondContact OD2-NZ 3.45Å | ||
| 998 | F | 88.9 | Confident | 78.4 | Confident | 129 Ų | 129 | 65.7 Ų | 65.7 | 57% | 0.566 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -67.9 | -14.3 | 179.8 | -73.5 | -81.8 | 0 | 0 | 0 | 113.6 | V996 L1000 A1001 M1108 R1140 | V996-F998 HydrophobicContact CB-CE2 4.36Å; V996-F998 WeakPolarHBondContact O-CD2 3.24Å; V996-F998 PolarHBondContact O-N 2.72Å; V996-F998 VanDerWaalsContact O-N 3.13Å; F998-L1000 PolarHBondContact O-N 3.17Å; F998-A1001 VanDerWaalsContact O-CB 3.27Å; F998-A1001 WeakPolarHBondContact O-CB 3.25Å; F998-A1001 PolarHBondContact O-N 2.99Å; F998-A1001 VanDerWaalsContact O-N 3.08Å; F998-M1108 HydrophobicContact CD1-CE 4.32Å; F998-M1108 HydrophobicContact CE1-CE 4.36Å; F998-R1140 PolarHBondContact O-NH2 2.93Å |
| 999 | D | 89.9 | Confident | 80.2 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -65.8 | -27.7 | 172.6 | -68.3 | -25.1 | 0 | 0 | 0 | 111.2 | D997 A1001 K1137 R1140 | D997-D999 PolarHBondContact O-N 3.11Å; D997-D999 VanDerWaalsContact OD1-CB 3.24Å; D997-D999 WeakPolarHBondContact OD1-CB 3.09Å; D997-D999 PolarHBondContact OD1-N 3.14Å; D999-A1001 VanDerWaalsContact C-N 3.25Å; D999-A1001 PolarHBondContact O-N 3.29Å; D999-K1137 HydrophobicContact CB-CD 3.74Å; D999-K1137 VanDerWaalsContact CB-NZ 3.33Å; D999-K1137 IonicContact OD2-NZ 2.6Å; D999-K1137 PolarHBondContact OD2-NZ 3.16Å; D999-R1140 HydrophobicContact CB-CG 4.13Å; D999-R1140 PolarHBondContact O-NE 3.11Å |
| 1000 | L | 93.1 | Very high | 82 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -78.6 | -3.2 | 174.8 | -61.5 | 178.2 | 0 | 0 | 0 | 113.5 | D997 F998 Y1002 S1104 Y1107 W1127 L1133 I1136 K1137 | D997-L1000 HydrophobicContact CB-CD1 4.18Å; D997-L1000 HydrophobicContact CB-CG 4.3Å; D997-L1000 WeakPolarHBondContact O-CB 3.3Å; D997-L1000 PolarHBondContact O-N 2.94Å; D997-L1000 VanDerWaalsContact O-N 3.13Å; F998-L1000 PolarHBondContact O-N 3.17Å; L1000-Y1002 PolarHBondContact O-N 3.44Å; L1000-S1104 VanDerWaalsContact O-CB 3.27Å; L1000-S1104 WeakPolarHBondContact O-CB 3.17Å; L1000-S1104 PolarHBondContact O-OG 3.42Å; L1000-Y1107 HydrophobicContact CB-CD1 3.85Å; L1000-Y1107 HydrophobicContact CB-CE1 3.97Å; L1000-Y1107 HydrophobicContact CB-CG 4.44Å; L1000-Y1107 HydrophobicContact CD1-CD1 4Å; L1000-Y1107 HydrophobicContact CD1-CD2 3.92Å; L1000-Y1107 HydrophobicContact CD1-CE1 3.73Å; L1000-Y1107 HydrophobicContact CD1-CE2 3.66Å; L1000-Y1107 HydrophobicContact CD1-CG 4.1Å; L1000-Y1107 HydrophobicContact CG-CE1 4.43Å; L1000-W1127 HydrophobicContact CD1-CH2 4.45Å; L1000-L1133 HydrophobicContact CD2-CB 4.24Å; L1000-I1136 HydrophobicContact CD2-CG2 4.42Å; L1000-K1137 HydrophobicContact CD2-CB 3.96Å; L1000-K1137 HydrophobicContact CD2-CD 4.16Å |
| 1001 | A | 92.7 | Very high | 84.1 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | trans | -79.6 | 106 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F998 D999 S1104 M1108 R1140 | F998-A1001 VanDerWaalsContact O-CB 3.27Å; F998-A1001 WeakPolarHBondContact O-CB 3.25Å; F998-A1001 PolarHBondContact O-N 2.99Å; F998-A1001 VanDerWaalsContact O-N 3.08Å; D999-A1001 VanDerWaalsContact C-N 3.25Å; D999-A1001 PolarHBondContact O-N 3.29Å; A1001-S1104 VanDerWaalsContact CA-OG 3.26Å; A1001-S1104 WeakPolarHBondContact CA-OG 3.35Å; A1001-M1108 HydrophobicContact CB-CE 4Å; A1001-M1108 HydrophobicContact CB-SD 4.11Å; A1001-R1140 PolarHBondContact O-NH2 3.44Å | ||
| 1002 | Y | 93.6 | Very high | 86.2 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | trans | -126.2 | 140.7 | -168.8 | -171.6 | -94.3 | 0 | 0 | 0 | 113.5 | L1000 W1005 E1097 L1100 S1104 I1136 R1139 | L1000-Y1002 PolarHBondContact O-N 3.44Å; Y1002-W1005 WeakPolarHBondContact O-CB 3.47Å; Y1002-W1005 PolarHBondContact O-N 2.81Å; Y1002-E1097 WeakPolarHBondContact CE1-OE2 3.21Å; Y1002-E1097 VanDerWaalsContact CZ-OE2 3.24Å; Y1002-E1097 PolarHBondContact OH-OE2 3.44Å; Y1002-L1100 HydrophobicContact CD1-CB 3.7Å; Y1002-L1100 HydrophobicContact CE1-CB 3.74Å; Y1002-L1100 HydrophobicContact CE1-CD1 4.08Å; Y1002-S1104 PolarHBondContact N-OG 3.49Å; Y1002-I1136 HydrophobicContact CD1-CG1 4.4Å; Y1002-I1136 HydrophobicContact CD2-CG1 4.31Å; Y1002-I1136 HydrophobicContact CD2-CG2 4.02Å; Y1002-I1136 HydrophobicContact CG-CD1 4.43Å; Y1002-I1136 HydrophobicContact CG-CG1 3.97Å; Y1002-I1136 HydrophobicContact CG-CG2 4.09Å; Y1002-R1139 PolarHBondContact OH-NH1 2.91Å | ||
| 1003 | G | 90.9 | Very high | 88 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 54% | 0.536 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -149.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1005 | G1003-W1005 PolarHBondContact O-N 3.48Å; G1003-W1005 VanDerWaalsContact O-N 3.12Å |
| 1004 | N | 90.8 | Very high | 89.4 | Confident | 116 Ų | 116 | 60.2 Ų | 60.2 | 62% | 0.62 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 46.7 | 175.3 | -63.3 | -14.6 | 0 | 0 | 0 | 112.2 | K1006 D1007 | N1004-K1006 PolarHBondContact O-N 2.87Å; N1004-D1007 VanDerWaalsContact CB-OD2 3.25Å; N1004-D1007 WeakPolarHBondContact CB-OD2 3.49Å; N1004-D1007 WeakPolarHBondContact O-CB 3.45Å; N1004-D1007 PolarHBondContact O-N 3.19Å |
| 1005 | W | 93 | Very high | 90.6 | Very high | 24 Ų | 24 | 59 Ų | 59 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.4 | -26.7 | -179.2 | 68.2 | -91.7 | 0 | 0 | 0 | 113.8 | Y1002 G1003 D1007 F1008 A1009 A1101 A1105 M1108 | Y1002-W1005 WeakPolarHBondContact O-CB 3.47Å; Y1002-W1005 PolarHBondContact O-N 2.81Å; G1003-W1005 PolarHBondContact O-N 3.48Å; G1003-W1005 VanDerWaalsContact O-N 3.12Å; W1005-D1007 PolarHBondContact O-N 3.2Å; W1005-F1008 PolarHBondContact O-N 2.96Å; W1005-A1009 HydrophobicContact CE3-CB 4.42Å; W1005-A1009 HydrophobicContact CZ3-CB 4.2Å; W1005-A1009 PolarHBondContact O-N 3.16Å; W1005-A1101 VanDerWaalsContact CA-O 3.29Å; W1005-A1101 WeakPolarHBondContact CA-O 3.44Å; W1005-A1101 WeakPolarHBondContact CB-O 3.43Å; W1005-A1105 HydrophobicContact CB-CB 4.12Å; W1005-A1105 HydrophobicContact CE3-CB 4.21Å; W1005-A1105 VanDerWaalsContact O-CB 3.27Å; W1005-A1105 WeakPolarHBondContact O-CB 3.38Å; W1005-M1108 HydrophobicContact CD2-CB 4.37Å; W1005-M1108 HydrophobicContact CD2-CG 4.06Å; W1005-M1108 HydrophobicContact CE3-CB 3.82Å; W1005-M1108 HydrophobicContact CE3-CG 4.02Å; W1005-M1108 HydrophobicContact CH2-CB 3.85Å; W1005-M1108 HydrophobicContact CH2-CE 3.94Å; W1005-M1108 HydrophobicContact CH2-CG 4.14Å; W1005-M1108 HydrophobicContact CZ2-CB 4.4Å; W1005-M1108 HydrophobicContact CZ2-CE 3.62Å; W1005-M1108 HydrophobicContact CZ2-CG 4.18Å; W1005-M1108 HydrophobicContact CZ3-CB 3.53Å; W1005-M1108 HydrophobicContact CZ3-CG 4.06Å |
| 1006 | K | 94.7 | Very high | 91.3 | Very high | 150 Ų | 150 | 55.9 Ų | 55.9 | 65% | 0.652 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57.4 | -32.3 | 175.6 | -68.4 | -176.9 | -178.9 | 176.1 | 0 | 112.4 | N1004 F1008 A1009 | N1004-K1006 PolarHBondContact O-N 2.87Å; K1006-F1008 PolarHBondContact O-N 2.81Å; K1006-A1009 VanDerWaalsContact O-CB 3.28Å; K1006-A1009 WeakPolarHBondContact O-CB 3.32Å; K1006-A1009 PolarHBondContact O-N 3.05Å; K1006-A1009 VanDerWaalsContact O-N 3.12Å |
| 1007 | D | 93.7 | Very high | 91.2 | Very high | 118 Ų | 118 | 57.4 Ų | 57.4 | 63% | 0.631 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.1 | -29.7 | 178.1 | -60.5 | -9.2 | 0 | 0 | 0 | 111.1 | N1004 W1005 | N1004-D1007 VanDerWaalsContact CB-OD2 3.25Å; N1004-D1007 WeakPolarHBondContact CB-OD2 3.49Å; N1004-D1007 WeakPolarHBondContact O-CB 3.45Å; N1004-D1007 PolarHBondContact O-N 3.19Å; W1005-D1007 PolarHBondContact O-N 3.2Å |
| 1008 | F | 94.7 | Very high | 90.9 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 17% | 0.167 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -91.1 | -9.3 | 176.9 | -62.1 | -81.2 | 0 | 0 | 0 | 113.3 | W1005 K1006 A1010 N1011 A1012 K1098 A1101 K1102 A1105 | W1005-F1008 PolarHBondContact O-N 2.96Å; K1006-F1008 PolarHBondContact O-N 2.81Å; F1008-A1010 VanDerWaalsContact C-N 3.35Å; F1008-A1010 PolarHBondContact O-N 2.9Å; F1008-N1011 PolarHBondContact O-N 3.37Å; F1008-N1011 VanDerWaalsContact O-N 3.14Å; F1008-A1012 WeakPolarHBondContact O-CB 3.47Å; F1008-A1012 PolarHBondContact O-N 2.98Å; F1008-K1098 HydrophobicContact CZ-CB 4.09Å; F1008-A1101 HydrophobicContact CD2-CB 4.15Å; F1008-A1101 HydrophobicContact CE2-CB 3.95Å; F1008-K1102 HydrophobicContact CB-CB 4.26Å; F1008-K1102 HydrophobicContact CB-CG 4.16Å; F1008-K1102 HydrophobicContact CD1-CB 3.85Å; F1008-K1102 HydrophobicContact CD1-CD 4.1Å; F1008-K1102 HydrophobicContact CD1-CG 3.85Å; F1008-K1102 HydrophobicContact CD2-CB 4.16Å; F1008-K1102 HydrophobicContact CE1-CB 4.21Å; F1008-K1102 HydrophobicContact CE1-CD 4.43Å; F1008-K1102 HydrophobicContact CE1-CG 4.5Å; F1008-K1102 HydrophobicContact CE2-CB 4.5Å; F1008-K1102 HydrophobicContact CG-CB 3.82Å; F1008-K1102 HydrophobicContact CG-CG 4.05Å; F1008-A1105 HydrophobicContact CB-CB 3.68Å |
| 1009 | A | 92.7 | Very high | 90.9 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.1 | -39.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1005 K1006 A1012 A1013 | W1005-A1009 HydrophobicContact CE3-CB 4.42Å; W1005-A1009 HydrophobicContact CZ3-CB 4.2Å; W1005-A1009 PolarHBondContact O-N 3.16Å; K1006-A1009 VanDerWaalsContact O-CB 3.28Å; K1006-A1009 WeakPolarHBondContact O-CB 3.32Å; K1006-A1009 PolarHBondContact O-N 3.05Å; K1006-A1009 VanDerWaalsContact O-N 3.12Å; A1009-A1012 PolarHBondContact O-N 2.99Å; A1009-A1013 WeakPolarHBondContact O-CB 3.48Å; A1009-A1013 PolarHBondContact O-N 2.84Å |
| 1010 | A | 90.5 | Very high | 90.7 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -69.6 | -35.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1008 R1014 | F1008-A1010 VanDerWaalsContact C-N 3.35Å; F1008-A1010 PolarHBondContact O-N 2.9Å; A1010-R1014 WeakPolarHBondContact O-CG 3.49Å; A1010-R1014 PolarHBondContact O-N 3.1Å; A1010-R1014 PolarHBondContact O-NE 2.97Å |
| 1011 | N | 92.4 | Very high | 89.8 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 172 | 178.3 | -75.4 | 0 | 0 | 0 | 110.7 | F1008 A1013 R1014 T1015 | F1008-N1011 PolarHBondContact O-N 3.37Å; F1008-N1011 VanDerWaalsContact O-N 3.14Å; N1011-A1013 VanDerWaalsContact C-N 3.32Å; N1011-A1013 PolarHBondContact O-N 3.35Å; N1011-R1014 PolarHBondContact O-N 3.02Å; N1011-T1015 PolarHBondContact O-N 3.01Å; N1011-T1015 PolarHBondContact O-OG1 2.9Å; N1011-T1015 VanDerWaalsContact O-OG1 3.12Å |
| 1012 | A | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1008 A1009 R1014 T1015 Y1016 A1105 V1109 | F1008-A1012 WeakPolarHBondContact O-CB 3.47Å; F1008-A1012 PolarHBondContact O-N 2.98Å; A1009-A1012 PolarHBondContact O-N 2.99Å; A1012-R1014 PolarHBondContact O-N 2.69Å; A1012-T1015 PolarHBondContact O-N 2.77Å; A1012-Y1016 WeakPolarHBondContact O-CB 3.38Å; A1012-Y1016 PolarHBondContact O-N 2.66Å; A1012-A1105 HydrophobicContact CB-CB 4.03Å; A1012-V1109 HydrophobicContact CB-CB 4.45Å; A1012-V1109 HydrophobicContact CB-CG2 3.89Å |
| 1013 | A | 89.8 | Confident | 88.9 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | A1009 N1011 S1017 V1109 | A1009-A1013 WeakPolarHBondContact O-CB 3.48Å; A1009-A1013 PolarHBondContact O-N 2.84Å; N1011-A1013 VanDerWaalsContact C-N 3.32Å; N1011-A1013 PolarHBondContact O-N 3.35Å; A1013-S1017 PolarHBondContact O-N 3.43Å; A1013-S1017 PolarHBondContact O-OG 3.49Å; A1013-S1017 VanDerWaalsContact O-OG 3.11Å; A1013-V1109 HydrophobicContact CB-CG1 4.27Å |
| 1014 | R | 87.7 | Confident | 88.3 | Confident | 164 Ų | 164 | 60.2 Ų | 60.2 | 62% | 0.619 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 175.5 | -72.8 | -177.5 | -73 | 159.8 | -4.2 | 111.8 | A1010 N1011 A1012 K1018 | A1010-R1014 WeakPolarHBondContact O-CG 3.49Å; A1010-R1014 PolarHBondContact O-N 3.1Å; A1010-R1014 PolarHBondContact O-NE 2.97Å; N1011-R1014 PolarHBondContact O-N 3.02Å; A1012-R1014 PolarHBondContact O-N 2.69Å; R1014-K1018 PolarHBondContact O-N 3.1Å |
| 1015 | T | 90.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.1 | -41.4 | 179.5 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | N1011 A1012 S1017 K1018 Y1019 F1078 W1106 F1125 | N1011-T1015 PolarHBondContact O-N 3.01Å; N1011-T1015 PolarHBondContact O-OG1 2.9Å; N1011-T1015 VanDerWaalsContact O-OG1 3.12Å; A1012-T1015 PolarHBondContact O-N 2.77Å; T1015-S1017 PolarHBondContact O-N 2.81Å; T1015-K1018 WeakPolarHBondContact O-CB 3.06Å; T1015-K1018 PolarHBondContact O-N 2.63Å; T1015-Y1019 WeakPolarHBondContact O-CB 3.3Å; T1015-Y1019 PolarHBondContact O-N 2.93Å; T1015-F1078 HydrophobicContact CG2-CD1 3.81Å; T1015-F1078 HydrophobicContact CG2-CE1 3.71Å; T1015-W1106 HydrophobicContact CG2-CH2 4.25Å; T1015-W1106 HydrophobicContact CG2-CZ2 3.79Å; T1015-F1125 HydrophobicContact CG2-CE2 3.96Å; T1015-F1125 HydrophobicContact CG2-CZ 3.92Å |
| 1016 | Y | 91 | Very high | 86.7 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 173.4 | 172.1 | -115.3 | 0 | 0 | 0 | 111.2 | A1012 K1018 Y1019 R1020 V1109 A1110 D1113 A1122 F1125 | A1012-Y1016 WeakPolarHBondContact O-CB 3.38Å; A1012-Y1016 PolarHBondContact O-N 2.66Å; Y1016-K1018 VanDerWaalsContact C-N 3.31Å; Y1016-K1018 PolarHBondContact O-N 3.08Å; Y1016-Y1019 PolarHBondContact O-N 2.83Å; Y1016-R1020 WeakPolarHBondContact O-CB 3.5Å; Y1016-R1020 PolarHBondContact O-N 3.46Å; Y1016-V1109 HydrophobicContact CD1-CG1 3.9Å; Y1016-V1109 HydrophobicContact CG-CG1 3.97Å; Y1016-A1110 HydrophobicContact CD2-CB 4.34Å; Y1016-A1110 HydrophobicContact CE2-CB 4.02Å; Y1016-D1113 HydrophobicContact CE1-CB 4.44Å; Y1016-D1113 PolarHBondContact OH-OD2 2.75Å; Y1016-A1122 HydrophobicContact CE2-CB 3.8Å; Y1016-F1125 HydrophobicContact CD2-CB 3.78Å; Y1016-F1125 AromaticContact CD2-CD1 3.57Å; Y1016-F1125 HydrophobicContact CD2-CD1 3.57Å; Y1016-F1125 HydrophobicContact CD2-CD2 4.48Å; Y1016-F1125 HydrophobicContact CD2-CE1 4.26Å; Y1016-F1125 AromaticContact CD2-CG 3.68Å; Y1016-F1125 HydrophobicContact CD2-CG 3.68Å; Y1016-F1125 HydrophobicContact CE2-CB 4.18Å; Y1016-F1125 HydrophobicContact CG-CD1 4.12Å; Y1016-F1125 HydrophobicContact CG-CE1 4.39Å |
| 1017 | S | 82.4 | Confident | 86 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 43% | 0.427 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 176.6 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | A1013 T1015 Q1021 | A1013-S1017 PolarHBondContact O-N 3.43Å; A1013-S1017 PolarHBondContact O-OG 3.49Å; A1013-S1017 VanDerWaalsContact O-OG 3.11Å; T1015-S1017 PolarHBondContact O-N 2.81Å; S1017-Q1021 VanDerWaalsContact O-CG 3.23Å; S1017-Q1021 WeakPolarHBondContact O-CG 3.42Å; S1017-Q1021 PolarHBondContact O-N 3.33Å |
| 1018 | K | 82.6 | Confident | 84.9 | Confident | 126 Ų | 126 | 45.7 Ų | 45.7 | 55% | 0.548 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.1 | -45.2 | 175 | -69.4 | 178.5 | 178.7 | -174.7 | 0 | 111.9 | R1014 T1015 Y1016 Q1021 L1022 | R1014-K1018 PolarHBondContact O-N 3.1Å; T1015-K1018 WeakPolarHBondContact O-CB 3.06Å; T1015-K1018 PolarHBondContact O-N 2.63Å; Y1016-K1018 VanDerWaalsContact C-N 3.31Å; Y1016-K1018 PolarHBondContact O-N 3.08Å; K1018-Q1021 PolarHBondContact O-N 3.2Å; K1018-L1022 PolarHBondContact O-N 3.39Å |
| 1019 | Y | 89.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -51.7 | 177.8 | 172.7 | -101.5 | 0 | 0 | 0 | 111.6 | T1015 Y1016 Q1021 L1022 V1023 F1039 L1074 F1078 A1122 S1124 F1125 L1128 | T1015-Y1019 WeakPolarHBondContact O-CB 3.3Å; T1015-Y1019 PolarHBondContact O-N 2.93Å; Y1016-Y1019 PolarHBondContact O-N 2.83Å; Y1019-Q1021 VanDerWaalsContact C-N 3.27Å; Y1019-Q1021 PolarHBondContact O-N 2.87Å; Y1019-L1022 PolarHBondContact O-N 2.77Å; Y1019-V1023 HydrophobicContact CD1-CG2 4.14Å; Y1019-V1023 HydrophobicContact CD2-CG2 4.15Å; Y1019-V1023 HydrophobicContact CE1-CG2 3.63Å; Y1019-V1023 HydrophobicContact CE2-CG2 3.62Å; Y1019-V1023 HydrophobicContact CG-CG2 4.4Å; Y1019-V1023 PolarHBondContact O-N 3.2Å; Y1019-F1039 WeakPolarHBondContact OH-CE2 3.33Å; Y1019-F1039 WeakPolarHBondContact OH-CZ 3.49Å; Y1019-L1074 HydrophobicContact CE2-CD2 4.45Å; Y1019-L1074 HydrophobicContact CE2-CG 4.49Å; Y1019-F1078 HydrophobicContact CD2-CD1 4.42Å; Y1019-F1078 AromaticContact CD2-CD2 3.68Å; Y1019-F1078 HydrophobicContact CD2-CD2 3.68Å; Y1019-F1078 HydrophobicContact CD2-CE1 4.39Å; Y1019-F1078 AromaticContact CD2-CE2 3.66Å; Y1019-F1078 HydrophobicContact CD2-CE2 3.66Å; Y1019-F1078 HydrophobicContact CD2-CG 4.08Å; Y1019-F1078 HydrophobicContact CD2-CZ 4.04Å; Y1019-F1078 HydrophobicContact CE2-CD2 4.4Å; Y1019-F1078 HydrophobicContact CG-CE2 4.4Å; Y1019-F1078 HydrophobicContact CG-CZ 4.35Å; Y1019-A1122 HydrophobicContact CD1-CB 4.34Å; Y1019-A1122 HydrophobicContact CE1-CB 4.22Å; Y1019-S1124 WeakPolarHBondContact CE1-OG 3.05Å; Y1019-S1124 VanDerWaalsContact OH-CB 3.28Å; Y1019-S1124 WeakPolarHBondContact OH-CB 3.48Å; Y1019-S1124 PolarHBondContact OH-OG 3.28Å; Y1019-F1125 HydrophobicContact CD1-CB 3.6Å; Y1019-F1125 AromaticContact CD1-CD2 3.55Å; Y1019-F1125 HydrophobicContact CD1-CD2 3.55Å; Y1019-F1125 AromaticContact CD1-CG 3.96Å; Y1019-F1125 HydrophobicContact CD1-CG 3.96Å; Y1019-F1125 HydrophobicContact CD2-CD2 4.22Å; Y1019-F1125 HydrophobicContact CE1-CB 3.67Å; Y1019-F1125 HydrophobicContact CE1-CD2 4.22Å; Y1019-F1125 HydrophobicContact CE1-CG 4.44Å; Y1019-F1125 HydrophobicContact CG-CB 4.44Å; Y1019-F1125 AromaticContact CG-CD2 3.53Å; Y1019-F1125 HydrophobicContact CG-CD2 3.53Å; Y1019-F1125 HydrophobicContact CG-CE2 4.24Å; Y1019-F1125 HydrophobicContact CG-CG 4.38Å; Y1019-L1128 HydrophobicContact CD2-CD1 3.87Å; Y1019-L1128 HydrophobicContact CE2-CD1 3.63Å; Y1019-L1128 HydrophobicContact CE2-CD2 4.09Å; Y1019-L1128 HydrophobicContact CE2-CG 4.32Å |
| 1020 | R | 84.8 | Confident | 82.9 | Confident | 54 Ų | 54 | 46 Ų | 46 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -51 | -49.4 | 177.6 | -173.4 | 174.2 | 178.5 | -171 | -0.8 | 110.1 | Y1016 L1022 V1023 F1024 D1113 T1115 R1120 A1122 | Y1016-R1020 WeakPolarHBondContact O-CB 3.5Å; Y1016-R1020 PolarHBondContact O-N 3.46Å; R1020-L1022 PolarHBondContact O-N 3.46Å; R1020-V1023 PolarHBondContact O-N 3.45Å; R1020-F1024 HydrophobicContact CG-CD2 3.6Å; R1020-F1024 HydrophobicContact CG-CE2 3.59Å; R1020-F1024 WeakPolarHBondContact O-CD2 3.34Å; R1020-F1024 PolarHBondContact O-N 3.27Å; R1020-D1113 IonicContact CZ-OD2 2.69Å; R1020-D1113 IonicContact NH1-OD2 2.77Å; R1020-D1113 PolarHBondContact NH1-OD2 2.58Å; R1020-T1115 PolarHBondContact NH1-OG1 2.93Å; R1020-R1120 PolarHBondContact NE-O 2.83Å; R1020-R1120 PolarHBondContact NH2-O 2.85Å; R1020-A1122 HydrophobicContact CB-CB 4.17Å; R1020-A1122 HydrophobicContact CG-CB 3.99Å |
| 1021 | Q | 74.2 | Confident | 81.9 | Confident | 108 Ų | 108 | 43.3 Ų | 43.3 | 51% | 0.505 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 177.8 | -73.5 | 171.6 | 6.4 | 0 | 0 | 113.4 | S1017 K1018 Y1019 F1024 S1025 | S1017-Q1021 VanDerWaalsContact O-CG 3.23Å; S1017-Q1021 WeakPolarHBondContact O-CG 3.42Å; S1017-Q1021 PolarHBondContact O-N 3.33Å; K1018-Q1021 PolarHBondContact O-N 3.2Å; Y1019-Q1021 VanDerWaalsContact C-N 3.27Å; Y1019-Q1021 PolarHBondContact O-N 2.87Å; Q1021-F1024 PolarHBondContact O-N 3.45Å; Q1021-S1025 WeakPolarHBondContact O-CB 3.4Å; Q1021-S1025 PolarHBondContact O-N 3.35Å |
| 1022 | L | 82.3 | Confident | 81.3 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 32% | 0.319 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.5 | -38.1 | -179.9 | -67.3 | 173.6 | 0 | 0 | 0 | 112.3 | K1018 Y1019 R1020 L1026 L1074 F1078 | K1018-L1022 PolarHBondContact O-N 3.39Å; Y1019-L1022 PolarHBondContact O-N 2.77Å; R1020-L1022 PolarHBondContact O-N 3.46Å; L1022-L1026 PolarHBondContact O-N 3.46Å; L1022-L1074 HydrophobicContact CB-CD1 3.74Å; L1022-L1074 HydrophobicContact CB-CD2 4.31Å; L1022-L1074 HydrophobicContact CD1-CD1 3.77Å; L1022-L1074 HydrophobicContact CG-CD1 4.38Å; L1022-F1078 HydrophobicContact CD1-CE2 3.88Å; L1022-F1078 HydrophobicContact CD1-CZ 4.07Å |
| 1023 | V | 85.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -48.5 | 173.6 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | Y1019 R1020 S1025 L1026 L1027 E1035 L1038 L1074 | Y1019-V1023 HydrophobicContact CD1-CG2 4.14Å; Y1019-V1023 HydrophobicContact CD2-CG2 4.15Å; Y1019-V1023 HydrophobicContact CE1-CG2 3.63Å; Y1019-V1023 HydrophobicContact CE2-CG2 3.62Å; Y1019-V1023 HydrophobicContact CG-CG2 4.4Å; Y1019-V1023 PolarHBondContact O-N 3.2Å; R1020-V1023 PolarHBondContact O-N 3.45Å; V1023-S1025 VanDerWaalsContact C-N 3.32Å; V1023-S1025 PolarHBondContact O-N 3.01Å; V1023-L1026 WeakPolarHBondContact O-CB 3.49Å; V1023-L1026 PolarHBondContact O-N 2.86Å; V1023-L1026 VanDerWaalsContact O-N 3.1Å; V1023-L1027 HydrophobicContact CG1-CD1 4.07Å; V1023-L1027 HydrophobicContact CG1-CG 4.3Å; V1023-L1027 WeakPolarHBondContact O-CG 3.27Å; V1023-L1027 PolarHBondContact O-N 3.45Å; V1023-E1035 HydrophobicContact CG1-CB 4.5Å; V1023-L1038 HydrophobicContact CG1-CD2 3.95Å; V1023-L1074 HydrophobicContact CG2-CD2 3.73Å |
| 1024 | F | 78.4 | Confident | 80.2 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 20% | 0.202 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 178.7 | -82 | -70.2 | 0 | 0 | 0 | 112.8 | R1020 Q1021 L1026 L1027 S1028 R1120 S1121 | R1020-F1024 HydrophobicContact CG-CD2 3.6Å; R1020-F1024 HydrophobicContact CG-CE2 3.59Å; R1020-F1024 WeakPolarHBondContact O-CD2 3.34Å; R1020-F1024 PolarHBondContact O-N 3.27Å; Q1021-F1024 PolarHBondContact O-N 3.45Å; F1024-L1026 VanDerWaalsContact C-N 3.3Å; F1024-L1026 PolarHBondContact O-N 2.78Å; F1024-L1027 HydrophobicContact CD1-CD1 3.84Å; F1024-L1027 HydrophobicContact CE1-CD1 3.77Å; F1024-L1027 HydrophobicContact CZ-CD1 4.4Å; F1024-L1027 PolarHBondContact O-N 3.19Å; F1024-S1028 WeakPolarHBondContact O-CB 3.2Å; F1024-S1028 PolarHBondContact O-N 3.29Å; F1024-R1120 HydrophobicContact CE1-CB 4.1Å; F1024-R1120 HydrophobicContact CE1-CG 4Å; F1024-R1120 HydrophobicContact CE2-CB 4.35Å; F1024-R1120 VanDerWaalsContact CE2-O 3.28Å; F1024-R1120 WeakPolarHBondContact CE2-O 3.35Å; F1024-R1120 HydrophobicContact CZ-CB 3.87Å; F1024-R1120 HydrophobicContact CZ-CG 4.29Å; F1024-R1120 VanDerWaalsContact CZ-O 3.3Å; F1024-R1120 WeakPolarHBondContact CZ-O 3.36Å; F1024-S1121 WeakPolarHBondContact CZ-O 3.48Å |
| 1025 | S | 72.6 | Confident | 80.2 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 37% | 0.371 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 171 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | Q1021 V1023 S1028 E1029 | Q1021-S1025 WeakPolarHBondContact O-CB 3.4Å; Q1021-S1025 PolarHBondContact O-N 3.35Å; V1023-S1025 VanDerWaalsContact C-N 3.32Å; V1023-S1025 PolarHBondContact O-N 3.01Å; S1025-S1028 PolarHBondContact O-N 3.15Å; S1025-E1029 VanDerWaalsContact O-CB 3.3Å; S1025-E1029 WeakPolarHBondContact O-CB 3.29Å; S1025-E1029 PolarHBondContact O-N 3.35Å |
| 1026 | L | 77.8 | Confident | 80.2 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 177.9 | -171.9 | 65 | 0 | 0 | 0 | 111.9 | L1022 V1023 F1024 S1028 Y1030 L1038 R1070 L1071 | L1022-L1026 PolarHBondContact O-N 3.46Å; V1023-L1026 WeakPolarHBondContact O-CB 3.49Å; V1023-L1026 PolarHBondContact O-N 2.86Å; V1023-L1026 VanDerWaalsContact O-N 3.1Å; F1024-L1026 VanDerWaalsContact C-N 3.3Å; F1024-L1026 PolarHBondContact O-N 2.78Å; L1026-S1028 VanDerWaalsContact C-N 3.33Å; L1026-S1028 PolarHBondContact O-N 3.18Å; L1026-Y1030 HydrophobicContact CD1-CD2 3.84Å; L1026-Y1030 HydrophobicContact CD1-CE2 3.54Å; L1026-Y1030 HydrophobicContact CG-CD2 4.48Å; L1026-Y1030 WeakPolarHBondContact O-CD2 3.47Å; L1026-Y1030 PolarHBondContact O-N 3.35Å; L1026-L1038 HydrophobicContact CD2-CD1 3.81Å; L1026-L1038 HydrophobicContact CD2-CD2 4.06Å; L1026-L1038 HydrophobicContact CG-CD1 4.33Å; L1026-R1070 HydrophobicContact CD1-CB 4.27Å; L1026-L1071 HydrophobicContact CD2-CB 4.46Å |
| 1027 | L | 80.4 | Confident | 80.1 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59 | -46 | 174.5 | -69.1 | 174.4 | 0 | 0 | 0 | 111.3 | V1023 F1024 G1031 I1032 N1034 L1038 | V1023-L1027 HydrophobicContact CG1-CD1 4.07Å; V1023-L1027 HydrophobicContact CG1-CG 4.3Å; V1023-L1027 WeakPolarHBondContact O-CG 3.27Å; V1023-L1027 PolarHBondContact O-N 3.45Å; F1024-L1027 HydrophobicContact CD1-CD1 3.84Å; F1024-L1027 HydrophobicContact CE1-CD1 3.77Å; F1024-L1027 HydrophobicContact CZ-CD1 4.4Å; F1024-L1027 PolarHBondContact O-N 3.19Å; L1027-G1031 CarbonylContact O-C 3.56Å; L1027-G1031 VanDerWaalsContact O-CA 3.28Å; L1027-G1031 WeakPolarHBondContact O-CA 3.39Å; L1027-G1031 PolarHBondContact O-N 3.06Å; L1027-I1032 HydrophobicContact CD2-CB 3.67Å; L1027-I1032 HydrophobicContact CD2-CD1 4.49Å; L1027-I1032 HydrophobicContact CD2-CG2 3.56Å; L1027-I1032 PolarHBondContact O-N 3.23Å; L1027-N1034 VanDerWaalsContact CD2-O 3.27Å; L1027-N1034 WeakPolarHBondContact CD2-O 3.39Å; L1027-L1038 HydrophobicContact CD2-CB 3.68Å; L1027-L1038 HydrophobicContact CD2-CD2 3.87Å; L1027-L1038 HydrophobicContact CD2-CG 4.33Å; L1027-L1038 HydrophobicContact CG-CD2 4.2Å |
| 1028 | S | 70 | Confident | 80.5 | Confident | 38 Ų | 38 | 35.4 Ų | 35.4 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66 | -45.7 | -178.5 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | Q364 F1024 S1025 L1026 Y1030 G1031 | Q364-S1028 PolarHBondContact NE2-OG 2.84Å; Q364-S1028 PolarHBondContact OE1-OG 3.45Å; F1024-S1028 WeakPolarHBondContact O-CB 3.2Å; F1024-S1028 PolarHBondContact O-N 3.29Å; S1025-S1028 PolarHBondContact O-N 3.15Å; L1026-S1028 VanDerWaalsContact C-N 3.33Å; L1026-S1028 PolarHBondContact O-N 3.18Å; S1028-Y1030 VanDerWaalsContact C-N 3.29Å; S1028-Y1030 PolarHBondContact O-N 2.9Å; S1028-G1031 PolarHBondContact O-N 3.42Å; S1028-G1031 VanDerWaalsContact O-N 3.16Å |
| 1029 | E | 71 | Confident | 80.9 | Confident | 65 Ų | 65 | 29.8 Ų | 29.8 | 30% | 0.304 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.7 | -39 | 180 | -172.4 | -176.5 | 158.4 | 0 | 0 | 112.7 | S1025 R1070 | S1025-E1029 VanDerWaalsContact O-CB 3.3Å; S1025-E1029 WeakPolarHBondContact O-CB 3.29Å; S1025-E1029 PolarHBondContact O-N 3.35Å; E1029-R1070 IonicContact OE1-CZ 3.43Å; E1029-R1070 IonicContact OE1-NH1 3.39Å; E1029-R1070 PolarHBondContact OE1-NH1 3.39Å; E1029-R1070 IonicContact OE1-NH2 3.96Å; E1029-R1070 IonicContact OE2-CZ 3.87Å; E1029-R1070 VanDerWaalsContact OE2-CZ 3.26Å; E1029-R1070 IonicContact OE2-NH1 2.72Å; E1029-R1070 PolarHBondContact OE2-NH1 3.32Å; E1029-R1070 IonicContact OE2-NH2 3.74Å; E1029-R1070 PolarHBondContact OE2-NH2 2.89Å |
| 1030 | Y | 73.9 | Confident | 81 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -99.7 | -5.1 | 179.6 | -66 | -85.5 | 0 | 0 | 0 | 113.4 | L1026 S1028 L1046 G1048 T1063 I1066 V1067 R1070 | L1026-Y1030 HydrophobicContact CD1-CD2 3.84Å; L1026-Y1030 HydrophobicContact CD1-CE2 3.54Å; L1026-Y1030 HydrophobicContact CG-CD2 4.48Å; L1026-Y1030 WeakPolarHBondContact O-CD2 3.47Å; L1026-Y1030 PolarHBondContact O-N 3.35Å; S1028-Y1030 VanDerWaalsContact C-N 3.29Å; S1028-Y1030 PolarHBondContact O-N 2.9Å; Y1030-L1046 CarbonylContact O-C 3.11Å; Y1030-G1048 PolarHBondContact O-N 3.06Å; Y1030-T1063 HydrophobicContact CD1-CG2 3.88Å; Y1030-T1063 HydrophobicContact CE1-CG2 3.96Å; Y1030-I1066 WeakPolarHBondContact OH-CG2 3.5Å; Y1030-V1067 HydrophobicContact CD1-CG2 3.54Å; Y1030-V1067 HydrophobicContact CD2-CG2 3.81Å; Y1030-V1067 HydrophobicContact CE1-CG2 3.59Å; Y1030-V1067 HydrophobicContact CE2-CG2 3.88Å; Y1030-V1067 HydrophobicContact CG-CG2 3.65Å; Y1030-R1070 PolarHBondContact OH-NH1 3.25Å |
| 1031 | G | 70.4 | Confident | 81 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 16% | 0.155 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 43.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1027 S1028 K1047 | L1027-G1031 CarbonylContact O-C 3.56Å; L1027-G1031 VanDerWaalsContact O-CA 3.28Å; L1027-G1031 WeakPolarHBondContact O-CA 3.39Å; L1027-G1031 PolarHBondContact O-N 3.06Å; S1028-G1031 PolarHBondContact O-N 3.42Å; S1028-G1031 VanDerWaalsContact O-N 3.16Å; G1031-K1047 PolarHBondContact O-N 3.03Å; G1031-K1047 VanDerWaalsContact O-N 3.1Å |
| 1032 | I | 80.4 | Confident | 81.6 | Confident | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | trans | -84.7 | 131.9 | 173.8 | -56.7 | 166.9 | 0 | 0 | 0 | 108 | L1027 N1034 Q1037 L1038 F1043 L1046 V1067 | L1027-I1032 HydrophobicContact CD2-CB 3.67Å; L1027-I1032 HydrophobicContact CD2-CD1 4.49Å; L1027-I1032 HydrophobicContact CD2-CG2 3.56Å; L1027-I1032 PolarHBondContact O-N 3.23Å; I1032-N1034 PolarHBondContact O-N 2.8Å; I1032-Q1037 HydrophobicContact CG2-CB 3.71Å; I1032-L1038 HydrophobicContact CD1-CD1 4.04Å; I1032-L1038 HydrophobicContact CG2-CB 4.43Å; I1032-F1043 HydrophobicContact CD1-CD1 4.16Å; I1032-F1043 HydrophobicContact CD1-CE1 3.63Å; I1032-F1043 HydrophobicContact CD1-CZ 4.2Å; I1032-F1043 HydrophobicContact CG1-CD1 4.02Å; I1032-F1043 HydrophobicContact CG1-CE1 4.02Å; I1032-F1043 HydrophobicContact CG2-CD1 3.87Å; I1032-F1043 HydrophobicContact CG2-CE1 4.02Å; I1032-L1046 HydrophobicContact CG1-CD2 3.92Å; I1032-V1067 HydrophobicContact CD1-CG1 4.03Å | ||
| 1033 | D | 76.4 | Confident | 81.6 | Confident | 71 Ų | 71 | 21.5 Ų | 21.5 | 38% | 0.38 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -68.9 | -32.6 | -168.2 | -71.7 | -31.4 | 0 | 0 | 0 | 113.9 | K1047 | D1033-K1047 IonicContact OD1-NZ 2.98Å; D1033-K1047 PolarHBondContact OD1-NZ 2.81Å; D1033-K1047 IonicContact OD2-NZ 3.82Å; D1033-K1047 PolarHBondContact OD2-NZ 3.26Å |
| 1034 | N | 82.8 | Confident | 81.1 | Confident | 40 Ų | 40 | 23.2 Ų | 23.2 | 21% | 0.214 | 13% | 0.131 | C | C | . | . | trans | -159.3 | 168.9 | -177.4 | 59.7 | 56.7 | 0 | 0 | 0 | 113.4 | L1027 I1032 F1036 Q1037 L1038 | L1027-N1034 VanDerWaalsContact CD2-O 3.27Å; L1027-N1034 WeakPolarHBondContact CD2-O 3.39Å; I1032-N1034 PolarHBondContact O-N 2.8Å; N1034-F1036 HydrophobicContact CB-CD2 4.16Å; N1034-F1036 PolarHBondContact O-N 2.84Å; N1034-F1036 WeakPolarHBondContact OD1-CB 3.46Å; N1034-F1036 WeakPolarHBondContact OD1-CD2 3.41Å; N1034-F1036 PolarHBondContact OD1-N 3.44Å; N1034-F1036 VanDerWaalsContact OD1-N 3.09Å; N1034-Q1037 PolarHBondContact O-N 3.35Å; N1034-Q1037 PolarHBondContact OD1-N 3.19Å; N1034-L1038 PolarHBondContact O-N 2.9Å | ||
| 1035 | E | 88.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.2 | -27.8 | -179.8 | 68.6 | 175 | 148.3 | 0 | 0 | 113.7 | V1023 L1038 F1039 A1122 F1123 S1124 | V1023-E1035 HydrophobicContact CG1-CB 4.5Å; E1035-L1038 WeakPolarHBondContact O-CB 3.32Å; E1035-L1038 PolarHBondContact O-N 3.2Å; E1035-F1039 WeakPolarHBondContact O-CD2 3.38Å; E1035-F1039 PolarHBondContact O-N 3.14Å; E1035-A1122 WeakPolarHBondContact OE1-CA 3.34Å; E1035-A1122 VanDerWaalsContact OE2-C 3.23Å; E1035-A1122 VanDerWaalsContact OE2-CA 3.24Å; E1035-A1122 WeakPolarHBondContact OE2-CA 3.45Å; E1035-F1123 VanDerWaalsContact CD-N 3.31Å; E1035-F1123 VanDerWaalsContact OE1-CD2 3.24Å; E1035-F1123 WeakPolarHBondContact OE1-CD2 3.05Å; E1035-F1123 PolarHBondContact OE1-N 2.9Å; E1035-F1123 PolarHBondContact OE2-N 3.37Å; E1035-S1124 VanDerWaalsContact OE2-CB 3.24Å; E1035-S1124 WeakPolarHBondContact OE2-CB 3.21Å; E1035-S1124 PolarHBondContact OE2-N 2.85Å; E1035-S1124 PolarHBondContact OE2-OG 2.99Å |
| 1036 | F | 89.8 | Confident | 80.1 | Confident | 22 Ų | 22 | 22.3 Ų | 22.3 | 10% | 0.096 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.5 | -38.4 | -176.5 | -43.2 | -61.8 | 0 | 0 | 0 | 111.5 | F726 N729 S733 N1034 S1040 F1123 | F726-F1036 AromaticContact CD2-CD1 3.84Å; F726-F1036 HydrophobicContact CD2-CD1 3.84Å; F726-F1036 AromaticContact CD2-CE1 3.93Å; F726-F1036 HydrophobicContact CD2-CE1 3.93Å; F726-F1036 HydrophobicContact CE2-CD1 4.28Å; N729-F1036 HydrophobicContact CB-CB 4.18Å; N729-F1036 HydrophobicContact CB-CD1 3.6Å; N729-F1036 HydrophobicContact CB-CD2 3.55Å; N729-F1036 HydrophobicContact CB-CE1 3.77Å; N729-F1036 HydrophobicContact CB-CE2 3.71Å; N729-F1036 HydrophobicContact CB-CG 3.49Å; N729-F1036 VanDerWaalsContact CB-CG 3.49Å; N729-F1036 HydrophobicContact CB-CZ 3.82Å; S733-F1036 WeakPolarHBondContact OG-CB 3.4Å; N1034-F1036 HydrophobicContact CB-CD2 4.16Å; N1034-F1036 PolarHBondContact O-N 2.84Å; N1034-F1036 WeakPolarHBondContact OD1-CB 3.46Å; N1034-F1036 WeakPolarHBondContact OD1-CD2 3.41Å; N1034-F1036 PolarHBondContact OD1-N 3.44Å; N1034-F1036 VanDerWaalsContact OD1-N 3.09Å; F1036-S1040 VanDerWaalsContact O-CB 3.28Å; F1036-S1040 WeakPolarHBondContact O-CB 3.36Å; F1036-S1040 PolarHBondContact O-N 3.4Å; F1036-S1040 PolarHBondContact O-OG 2.89Å; F1036-F1123 AromaticContact CE1-CD2 3.94Å; F1036-F1123 HydrophobicContact CE1-CD2 3.94Å; F1036-F1123 AromaticContact CZ-CD2 3.93Å; F1036-F1123 HydrophobicContact CZ-CD2 3.93Å; F1036-F1123 HydrophobicContact CZ-CE2 4.17Å |
| 1037 | Q | 88.7 | Confident | 79 | Confident | 13 Ų | 13 | 26.1 Ų | 26.1 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 171.2 | -68 | -172.8 | 25.8 | 0 | 0 | 111.3 | I1032 N1034 S1040 G1041 H1042 F1043 T1044 | I1032-Q1037 HydrophobicContact CG2-CB 3.71Å; N1034-Q1037 PolarHBondContact O-N 3.35Å; N1034-Q1037 PolarHBondContact OD1-N 3.19Å; Q1037-S1040 WeakPolarHBondContact CA-OG 3.38Å; Q1037-S1040 PolarHBondContact O-OG 3.26Å; Q1037-S1040 VanDerWaalsContact O-OG 3.1Å; Q1037-G1041 PolarHBondContact O-N 3.37Å; Q1037-H1042 PolarHBondContact O-N 3.07Å; Q1037-F1043 HydrophobicContact CB-CD1 4.06Å; Q1037-F1043 HydrophobicContact CB-CE1 4.5Å; Q1037-F1043 VanDerWaalsContact O-CE1 3.31Å; Q1037-F1043 WeakPolarHBondContact O-CE1 3.33Å; Q1037-T1044 PolarHBondContact NE2-OG1 3.25Å |
| 1038 | L | 89.7 | Confident | 77.4 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.6 | -49.3 | 176.4 | 176.2 | 62.6 | 0 | 0 | 0 | 112.4 | V1023 L1026 L1027 I1032 N1034 E1035 G1041 V1067 L1071 | V1023-L1038 HydrophobicContact CG1-CD2 3.95Å; L1026-L1038 HydrophobicContact CD2-CD1 3.81Å; L1026-L1038 HydrophobicContact CD2-CD2 4.06Å; L1026-L1038 HydrophobicContact CG-CD1 4.33Å; L1027-L1038 HydrophobicContact CD2-CB 3.68Å; L1027-L1038 HydrophobicContact CD2-CD2 3.87Å; L1027-L1038 HydrophobicContact CD2-CG 4.33Å; L1027-L1038 HydrophobicContact CG-CD2 4.2Å; I1032-L1038 HydrophobicContact CD1-CD1 4.04Å; I1032-L1038 HydrophobicContact CG2-CB 4.43Å; N1034-L1038 PolarHBondContact O-N 2.9Å; E1035-L1038 WeakPolarHBondContact O-CB 3.32Å; E1035-L1038 PolarHBondContact O-N 3.2Å; L1038-G1041 PolarHBondContact O-N 2.93Å; L1038-V1067 HydrophobicContact CD1-CG1 3.62Å; L1038-L1071 HydrophobicContact CD1-CB 4.43Å; L1038-L1071 HydrophobicContact CD1-CD1 4.42Å; L1038-L1071 HydrophobicContact CD1-CD2 4.1Å; L1038-L1071 HydrophobicContact CD2-CD1 4.13Å; L1038-L1071 HydrophobicContact CG-CD1 4.08Å; L1038-L1071 HydrophobicContact CG-CD2 3.97Å; L1038-L1071 VanDerWaalsContact O-CD2 3.26Å; L1038-L1071 WeakPolarHBondContact O-CD2 3.34Å |
| 1039 | F | 92.1 | Very high | 76.7 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75.4 | -28.9 | -177.7 | -88 | -98.9 | 0 | 0 | 0 | 114 | L707 F726 Y1019 E1035 G1041 L1071 I1075 S1124 L1128 | L707-F1039 HydrophobicContact CD1-CB 4.24Å; L707-F1039 HydrophobicContact CD1-CD1 3.43Å; L707-F1039 VanDerWaalsContact CD1-CD1 3.43Å; L707-F1039 HydrophobicContact CD1-CE1 4.07Å; L707-F1039 HydrophobicContact CD1-CG 4.16Å; L707-F1039 VanDerWaalsContact CD1-O 3.24Å; L707-F1039 WeakPolarHBondContact CD1-O 3.49Å; F726-F1039 HydrophobicContact CE2-CB 4.23Å; F726-F1039 HydrophobicContact CE2-CD2 4.41Å; F726-F1039 HydrophobicContact CE2-CG 4.16Å; F726-F1039 HydrophobicContact CZ-CB 3.79Å; F726-F1039 AromaticContact CZ-CD1 3.75Å; F726-F1039 HydrophobicContact CZ-CD1 3.75Å; F726-F1039 HydrophobicContact CZ-CD2 4.31Å; F726-F1039 HydrophobicContact CZ-CE1 4.47Å; F726-F1039 AromaticContact CZ-CG 3.67Å; F726-F1039 HydrophobicContact CZ-CG 3.67Å; Y1019-F1039 WeakPolarHBondContact OH-CE2 3.33Å; Y1019-F1039 WeakPolarHBondContact OH-CZ 3.49Å; E1035-F1039 WeakPolarHBondContact O-CD2 3.38Å; E1035-F1039 PolarHBondContact O-N 3.14Å; F1039-G1041 VanDerWaalsContact C-N 3.33Å; F1039-L1071 HydrophobicContact CD2-CD1 4.39Å; F1039-L1071 HydrophobicContact CD2-CD2 4.47Å; F1039-L1071 HydrophobicContact CE1-CD1 4.38Å; F1039-L1071 HydrophobicContact CE2-CD1 3.81Å; F1039-L1071 HydrophobicContact CG-CD2 4.39Å; F1039-L1071 HydrophobicContact CZ-CD1 3.77Å; F1039-I1075 HydrophobicContact CE1-CD1 3.77Å; F1039-I1075 HydrophobicContact CE1-CG1 4.21Å; F1039-I1075 HydrophobicContact CZ-CD1 4.29Å; F1039-I1075 HydrophobicContact CZ-CG1 4.34Å; F1039-S1124 VanDerWaalsContact CZ-CB 3.43Å; F1039-L1128 HydrophobicContact CZ-CD2 4.5Å |
| 1040 | S | 90.2 | Very high | 75.5 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76 | -22.7 | 171 | 56.3 | 0 | 0 | 0 | 0 | 113 | F1036 Q1037 H1042 | F1036-S1040 VanDerWaalsContact O-CB 3.28Å; F1036-S1040 WeakPolarHBondContact O-CB 3.36Å; F1036-S1040 PolarHBondContact O-N 3.4Å; F1036-S1040 PolarHBondContact O-OG 2.89Å; Q1037-S1040 WeakPolarHBondContact CA-OG 3.38Å; Q1037-S1040 PolarHBondContact O-OG 3.26Å; Q1037-S1040 VanDerWaalsContact O-OG 3.1Å; S1040-H1042 PolarHBondContact O-N 3.03Å; S1040-H1042 PolarHBondContact O-ND1 2.88Å; S1040-H1042 PolarHBondContact OG-N 3.43Å |
| 1041 | G | 86.5 | Confident | 74.3 | Confident | 10 Ų | 10 | 27.8 Ų | 27.8 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 15.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1037 L1038 F1039 | Q1037-G1041 PolarHBondContact O-N 3.37Å; L1038-G1041 PolarHBondContact O-N 2.93Å; F1039-G1041 VanDerWaalsContact C-N 3.33Å |
| 1042 | H | 86.7 | Confident | 73.1 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 12% | 0.12 | 17% | 0.167 | C | C | . | . | trans | -114.7 | 101.7 | -176.3 | -74.3 | 71.3 | 0 | 0 | 0 | 109.7 | S704 I734 Q1037 S1040 | S704-H1042 PolarHBondContact O-CE1 2.83Å; I734-H1042 HydrophobicContact CG1-CB 4.39Å; Q1037-H1042 PolarHBondContact O-N 3.07Å; S1040-H1042 PolarHBondContact O-N 3.03Å; S1040-H1042 PolarHBondContact O-ND1 2.88Å; S1040-H1042 PolarHBondContact OG-N 3.43Å | ||
| 1043 | F | 82.1 | Confident | 71.5 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | trans | -98.7 | 145.4 | -175.1 | -47.5 | -63.3 | 0 | 0 | 0 | 111.1 | S737 I1032 Q1037 L1046 E1064 V1067 | S737-F1043 PolarHBondContact OG-O 3.04Å; I1032-F1043 HydrophobicContact CD1-CD1 4.16Å; I1032-F1043 HydrophobicContact CD1-CE1 3.63Å; I1032-F1043 HydrophobicContact CD1-CZ 4.2Å; I1032-F1043 HydrophobicContact CG1-CD1 4.02Å; I1032-F1043 HydrophobicContact CG1-CE1 4.02Å; I1032-F1043 HydrophobicContact CG2-CD1 3.87Å; I1032-F1043 HydrophobicContact CG2-CE1 4.02Å; Q1037-F1043 HydrophobicContact CB-CD1 4.06Å; Q1037-F1043 HydrophobicContact CB-CE1 4.5Å; Q1037-F1043 VanDerWaalsContact O-CE1 3.31Å; Q1037-F1043 WeakPolarHBondContact O-CE1 3.33Å; F1043-L1046 HydrophobicContact CB-CG 4.32Å; F1043-L1046 HydrophobicContact CD2-CD1 4.47Å; F1043-L1046 HydrophobicContact CD2-CD2 4.44Å; F1043-L1046 HydrophobicContact CG-CD2 4.31Å; F1043-L1046 HydrophobicContact CG-CG 4.47Å; F1043-E1064 HydrophobicContact CD2-CG 3.98Å; F1043-E1064 HydrophobicContact CE2-CB 4.42Å; F1043-E1064 HydrophobicContact CE2-CG 3.91Å; F1043-V1067 HydrophobicContact CZ-CG1 3.88Å | ||
| 1044 | T | 74.5 | Confident | 70.1 | Confident | 36 Ų | 36 | 31.1 Ų | 31.1 | 22% | 0.221 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -100.8 | -27.2 | 169.6 | 51 | 0 | 0 | 0 | 0 | 112.5 | Q1037 | Q1037-T1044 PolarHBondContact NE2-OG1 3.25Š|
| 1045 | D | 66.8 | Low | 68.2 | Low | 42 Ų | 42 | 36.5 Ų | 36.5 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | trans | -152.2 | 142.3 | 174.4 | -157.9 | 0.6 | 0 | 0 | 0 | 109.2 | K1047 R1055 | D1045-K1047 HydrophobicContact CB-CG 4.11Å; D1045-K1047 VanDerWaalsContact CG-CG 3.47Å; D1045-K1047 WeakPolarHBondContact OD2-CE 3.43Å; D1045-K1047 WeakPolarHBondContact OD2-CG 3.49Å; D1045-R1055 IonicContact OD1-NH2 3.57Å | ||
| 1046 | L | 64.1 | Low | 66.2 | Low | 38 Ų | 38 | 39.3 Ų | 39.3 | 20% | 0.199 | 20% | 0.196 | C | C | . | . | trans | -116.9 | 82.3 | 174.2 | -77.7 | 159 | 0 | 0 | 0 | 107 | Y1030 I1032 F1043 L1060 | Y1030-L1046 CarbonylContact O-C 3.11Å; I1032-L1046 HydrophobicContact CG1-CD2 3.92Å; F1043-L1046 HydrophobicContact CB-CG 4.32Å; F1043-L1046 HydrophobicContact CD2-CD1 4.47Å; F1043-L1046 HydrophobicContact CD2-CD2 4.44Å; F1043-L1046 HydrophobicContact CG-CD2 4.31Å; F1043-L1046 HydrophobicContact CG-CG 4.47Å; L1046-L1060 HydrophobicContact CD1-CD1 3.33Å | ||
| 1047 | K | 53.3 | Low | 64.1 | Low | 88 Ų | 88 | 43 Ų | 43 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.4 | -168.2 | -66.5 | 170.8 | -171.4 | 148.6 | 0 | 114 | G1031 D1033 D1045 R1049 | G1031-K1047 PolarHBondContact O-N 3.03Å; G1031-K1047 VanDerWaalsContact O-N 3.1Å; D1033-K1047 IonicContact OD1-NZ 2.98Å; D1033-K1047 PolarHBondContact OD1-NZ 2.81Å; D1033-K1047 IonicContact OD2-NZ 3.82Å; D1033-K1047 PolarHBondContact OD2-NZ 3.26Å; D1045-K1047 HydrophobicContact CB-CG 4.11Å; D1045-K1047 VanDerWaalsContact CG-CG 3.47Å; D1045-K1047 WeakPolarHBondContact OD2-CE 3.43Å; D1045-K1047 WeakPolarHBondContact OD2-CG 3.49Å; K1047-R1049 PolarHBondContact O-N 2.64Å |
| 1048 | G | 47.8 | Very low | 62 | Low | 35 Ų | 35 | 47.2 Ų | 47.2 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.2 | -161.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1030 | Y1030-G1048 PolarHBondContact O-N 3.06Š|
| 1049 | R | 54.8 | Low | 60.3 | Low | 47 Ų | 47 | 48.2 Ų | 48.2 | 18% | 0.177 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -97.9 | 133 | 174.5 | -67.5 | -174.4 | 173.7 | 169.8 | 1.1 | 110 | D420 K1047 S1051 E1054 T1063 | D420-R1049 IonicContact OD1-CZ 3.21Å; D420-R1049 IonicContact OD1-NE 3.14Å; D420-R1049 IonicContact OD1-NH2 3.67Å; K1047-R1049 PolarHBondContact O-N 2.64Å; R1049-S1051 PolarHBondContact O-N 2.79Å; R1049-E1054 IonicContact NH1-OE2 3.44Å; R1049-T1063 PolarHBondContact NH1-OG1 3.1Å; R1049-T1063 VanDerWaalsContact NH1-OG1 3.1Å |
| 1050 | L | 46.7 | Very low | 58.6 | Low | 59 Ų | 59 | 50.4 Ų | 50.4 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -51.4 | -21 | 168.7 | -74.1 | 163.1 | 0 | 0 | 0 | 112.4 | L415 T417 G446 R1052 | L415-L1050 HydrophobicContact CB-CD1 4.26Å; L415-L1050 HydrophobicContact CD1-CD1 4.14Å; L415-L1050 HydrophobicContact CD1-CD2 4.22Å; T417-L1050 HydrophobicContact CG2-CD1 3.66Å; G446-L1050 WeakPolarHBondContact CA-O 3.4Å; L1050-R1052 PolarHBondContact O-N 3.39Å |
| 1051 | S | 47.7 | Very low | 57.1 | Low | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | trans | -93.8 | 74.5 | 174.5 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | R442 R1049 G1053 E1054 | R442-S1051 PolarHBondContact NE-OG 3.35Å; R442-S1051 PolarHBondContact NH2-OG 2.95Å; R1049-S1051 PolarHBondContact O-N 2.79Å; S1051-G1053 PolarHBondContact O-N 2.87Å; S1051-E1054 WeakPolarHBondContact CB-OE1 3.44Å; S1051-E1054 PolarHBondContact O-N 2.92Å; S1051-E1054 VanDerWaalsContact OG-CG 3.31Å; S1051-E1054 WeakPolarHBondContact OG-CG 3.39Å; S1051-E1054 PolarHBondContact OG-OE1 3.21Å | ||
| 1052 | R | 46 | Very low | 56 | Low | 119 Ų | 119 | 55.9 Ų | 55.9 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.3 | 168 | -76.1 | -177.7 | 169.1 | -168.5 | -5.3 | 112.7 | G446 L1050 | G446-R1052 PolarHBondContact O-N 3.38Å; L1050-R1052 PolarHBondContact O-N 3.39Å |
| 1053 | G | 45.6 | Very low | 55.3 | Low | 25 Ų | 25 | 55.3 Ų | 55.3 | 26% | 0.258 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G446 S1051 R1055 | G446-G1053 PolarHBondContact O-N 3.47Å; S1051-G1053 PolarHBondContact O-N 2.87Å; G1053-R1055 PolarHBondContact O-N 2.92Å |
| 1054 | E | 47.4 | Very low | 55 | Low | 20 Ų | 20 | 57.4 Ų | 57.4 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | trans | -72.1 | 37.7 | 176.5 | -84.8 | 166.8 | -138 | 0 | 0 | 112.8 | K406 D490 R1049 S1051 D1056 S1059 | K406-E1054 IonicContact NZ-OE1 3.81Å; K406-E1054 PolarHBondContact NZ-OE1 2.66Å; K406-E1054 IonicContact NZ-OE2 2.78Å; D490-E1054 VanDerWaalsContact OD2-CG 3.28Å; D490-E1054 WeakPolarHBondContact OD2-CG 3.46Å; R1049-E1054 IonicContact NH1-OE2 3.44Å; S1051-E1054 WeakPolarHBondContact CB-OE1 3.44Å; S1051-E1054 PolarHBondContact O-N 2.92Å; S1051-E1054 VanDerWaalsContact OG-CG 3.31Å; S1051-E1054 WeakPolarHBondContact OG-CG 3.39Å; S1051-E1054 PolarHBondContact OG-OE1 3.21Å; E1054-D1056 VanDerWaalsContact C-N 3.26Å; E1054-D1056 PolarHBondContact O-N 3.39Å; E1054-S1059 PolarHBondContact O-OG 2.98Å | ||
| 1055 | R | 43.9 | Very low | 54.9 | Low | 152 Ų | 152 | 60.8 Ų | 60.8 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | trans | -83.8 | 10.2 | 177.8 | -76 | -171.3 | -179 | -148.8 | -4.9 | 113.6 | D1045 G1053 D1057 | D1045-R1055 IonicContact OD1-NH2 3.57Å; G1053-R1055 PolarHBondContact O-N 2.92Å; R1055-D1057 PolarHBondContact O-N 3.22Å | ||
| 1056 | D | 46.8 | Very low | 55.4 | Low | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -61.7 | 131.3 | 165.7 | -83.2 | 4.2 | 0 | 0 | 0 | 108.1 | E1054 Y1058 S1059 L1060 | E1054-D1056 VanDerWaalsContact C-N 3.26Å; E1054-D1056 PolarHBondContact O-N 3.39Å; D1056-Y1058 PolarHBondContact O-N 2.68Å; D1056-S1059 PolarHBondContact O-N 2.91Å; D1056-S1059 PolarHBondContact O-OG 3.34Å; D1056-L1060 PolarHBondContact O-N 3.2Å; D1056-L1060 VanDerWaalsContact O-N 3.16Å |
| 1057 | D | 44.2 | Very low | 56.2 | Low | 101 Ų | 101 | 57.3 Ų | 57.3 | 54% | 0.54 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -50.4 | -28.7 | -174.6 | -78.4 | -18.1 | 0 | 0 | 0 | 111.8 | K747 R1055 F1061 | K747-D1057 IonicContact NZ-OD1 2.68Å; K747-D1057 PolarHBondContact NZ-OD1 3.13Å; K747-D1057 IonicContact NZ-OD2 3.25Å; K747-D1057 PolarHBondContact NZ-OD2 3.01Å; R1055-D1057 PolarHBondContact O-N 3.22Å; D1057-F1061 WeakPolarHBondContact O-CB 3.17Å; D1057-F1061 PolarHBondContact O-N 3.22Å |
| 1058 | Y | 46.2 | Very low | 57.6 | Low | 100 Ų | 100 | 55.4 Ų | 55.4 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75.1 | -43.5 | 179.2 | -158.9 | -90 | 0 | 0 | 0 | 114.9 | D1056 T1062 | D1056-Y1058 PolarHBondContact O-N 2.68Å; Y1058-T1062 WeakPolarHBondContact O-CB 3.21Å; Y1058-T1062 PolarHBondContact O-N 2.75Å; Y1058-T1062 PolarHBondContact O-OG1 3.27Å |
| 1059 | S | 54.2 | Low | 59.1 | Low | 24 Ų | 24 | 55.6 Ų | 55.6 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 176.9 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | E1054 D1056 T1063 | E1054-S1059 PolarHBondContact O-OG 2.98Å; D1056-S1059 PolarHBondContact O-N 2.91Å; D1056-S1059 PolarHBondContact O-OG 3.34Å; S1059-T1063 WeakPolarHBondContact O-CB 3.22Å; S1059-T1063 PolarHBondContact O-N 3.18Å; S1059-T1063 PolarHBondContact O-OG1 3.11Å |
| 1060 | L | 55.8 | Low | 60.4 | Low | 55 Ų | 55 | 55.8 Ų | 55.8 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63 | -52.8 | 172.8 | -174.3 | 67.9 | 0 | 0 | 0 | 110.6 | L1046 D1056 T1062 T1063 E1064 | L1046-L1060 HydrophobicContact CD1-CD1 3.33Å; D1056-L1060 PolarHBondContact O-N 3.2Å; D1056-L1060 VanDerWaalsContact O-N 3.16Å; L1060-T1062 VanDerWaalsContact C-N 3.27Å; L1060-T1062 PolarHBondContact O-N 2.96Å; L1060-T1063 CarbonylContact O-C 3.51Å; L1060-T1063 WeakPolarHBondContact O-CA 3.45Å; L1060-T1063 WeakPolarHBondContact O-CB 3.17Å; L1060-T1063 PolarHBondContact O-N 3.05Å; L1060-E1064 HydrophobicContact CD1-CG 4.45Å; L1060-E1064 HydrophobicContact CG-CG 4.32Å; L1060-E1064 WeakPolarHBondContact O-CG 3.13Å; L1060-E1064 PolarHBondContact O-N 3.01Å |
| 1061 | F | 57.9 | Low | 62.5 | Low | 107 Ų | 107 | 53 Ų | 53 | 47% | 0.469 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.1 | -42.7 | 178.3 | 177.5 | -97.4 | 0 | 0 | 0 | 112.5 | D1057 T1063 E1064 R1065 | D1057-F1061 WeakPolarHBondContact O-CB 3.17Å; D1057-F1061 PolarHBondContact O-N 3.22Å; F1061-T1063 VanDerWaalsContact C-N 3.33Å; F1061-T1063 PolarHBondContact O-N 2.64Å; F1061-E1064 PolarHBondContact O-N 2.93Å; F1061-R1065 VanDerWaalsContact O-CB 3.32Å; F1061-R1065 WeakPolarHBondContact O-CB 3.4Å; F1061-R1065 PolarHBondContact O-N 3.22Å |
| 1062 | T | 64.5 | Low | 64.3 | Low | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 177 | -56.5 | 0 | 0 | 0 | 0 | 111 | Y1058 L1060 I1066 | Y1058-T1062 WeakPolarHBondContact O-CB 3.21Å; Y1058-T1062 PolarHBondContact O-N 2.75Å; Y1058-T1062 PolarHBondContact O-OG1 3.27Å; L1060-T1062 VanDerWaalsContact C-N 3.27Å; L1060-T1062 PolarHBondContact O-N 2.96Å; T1062-I1066 HydrophobicContact CG2-CD1 3.87Å; T1062-I1066 VanDerWaalsContact O-CD1 3.3Å; T1062-I1066 WeakPolarHBondContact O-CD1 3.5Å; T1062-I1066 WeakPolarHBondContact O-CG1 3.48Å; T1062-I1066 PolarHBondContact O-N 3.14Å |
| 1063 | T | 71.5 | Confident | 66 | Low | 14 Ų | 14 | 54.7 Ų | 54.7 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | Y1030 R1049 S1059 L1060 F1061 R1065 I1066 V1067 | Y1030-T1063 HydrophobicContact CD1-CG2 3.88Å; Y1030-T1063 HydrophobicContact CE1-CG2 3.96Å; R1049-T1063 PolarHBondContact NH1-OG1 3.1Å; R1049-T1063 VanDerWaalsContact NH1-OG1 3.1Å; S1059-T1063 WeakPolarHBondContact O-CB 3.22Å; S1059-T1063 PolarHBondContact O-N 3.18Å; S1059-T1063 PolarHBondContact O-OG1 3.11Å; L1060-T1063 CarbonylContact O-C 3.51Å; L1060-T1063 WeakPolarHBondContact O-CA 3.45Å; L1060-T1063 WeakPolarHBondContact O-CB 3.17Å; L1060-T1063 PolarHBondContact O-N 3.05Å; F1061-T1063 VanDerWaalsContact C-N 3.33Å; F1061-T1063 PolarHBondContact O-N 2.64Å; T1063-R1065 VanDerWaalsContact C-N 3.33Å; T1063-R1065 PolarHBondContact O-N 3.15Å; T1063-I1066 PolarHBondContact O-N 3.27Å; T1063-V1067 HydrophobicContact CG2-CG2 4.42Å; T1063-V1067 VanDerWaalsContact O-CG2 3.32Å; T1063-V1067 WeakPolarHBondContact O-CG2 3.38Å; T1063-V1067 PolarHBondContact O-N 3.3Å |
| 1064 | E | 74.8 | Confident | 68 | Low | 54 Ų | 54 | 54.4 Ų | 54.4 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 175.5 | -68.4 | -179.1 | 168.6 | 0 | 0 | 111.1 | F1043 L1060 F1061 I1066 V1067 Q1068 | F1043-E1064 HydrophobicContact CD2-CG 3.98Å; F1043-E1064 HydrophobicContact CE2-CB 4.42Å; F1043-E1064 HydrophobicContact CE2-CG 3.91Å; L1060-E1064 HydrophobicContact CD1-CG 4.45Å; L1060-E1064 HydrophobicContact CG-CG 4.32Å; L1060-E1064 WeakPolarHBondContact O-CG 3.13Å; L1060-E1064 PolarHBondContact O-N 3.01Å; F1061-E1064 PolarHBondContact O-N 2.93Å; E1064-I1066 VanDerWaalsContact C-N 3.35Å; E1064-I1066 PolarHBondContact O-N 3.49Å; E1064-V1067 PolarHBondContact O-N 2.71Å; E1064-Q1068 WeakPolarHBondContact O-CB 3.22Å; E1064-Q1068 VanDerWaalsContact O-CG 3.3Å; E1064-Q1068 WeakPolarHBondContact O-CG 3.41Å; E1064-Q1068 PolarHBondContact O-N 3.17Å |
| 1065 | R | 73.7 | Confident | 70.1 | Confident | 108 Ų | 108 | 54.6 Ų | 54.6 | 41% | 0.408 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59 | -44.5 | 175.6 | -175.9 | 175.8 | 178 | 171.5 | 1.5 | 111.8 | F1061 T1063 Q1068 M1069 | F1061-R1065 VanDerWaalsContact O-CB 3.32Å; F1061-R1065 WeakPolarHBondContact O-CB 3.4Å; F1061-R1065 PolarHBondContact O-N 3.22Å; T1063-R1065 VanDerWaalsContact C-N 3.33Å; T1063-R1065 PolarHBondContact O-N 3.15Å; R1065-Q1068 PolarHBondContact O-N 3.27Å; R1065-M1069 HydrophobicContact CG-SD 4.13Å; R1065-M1069 WeakPolarHBondContact O-CB 3.31Å; R1065-M1069 VanDerWaalsContact O-CG 3.25Å; R1065-M1069 WeakPolarHBondContact O-CG 3.48Å; R1065-M1069 PolarHBondContact O-N 3.01Å |
| 1066 | I | 75.8 | Confident | 72.1 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 178.3 | -68.2 | 161.1 | 0 | 0 | 0 | 111 | M401 T421 Y1030 T1062 T1063 E1064 Q1068 M1069 R1070 | M401-I1066 HydrophobicContact CE-CG1 4.32Å; T421-I1066 HydrophobicContact CG2-CG2 4.14Å; T421-I1066 WeakPolarHBondContact O-CD1 3.27Å; Y1030-I1066 WeakPolarHBondContact OH-CG2 3.5Å; T1062-I1066 HydrophobicContact CG2-CD1 3.87Å; T1062-I1066 VanDerWaalsContact O-CD1 3.3Å; T1062-I1066 WeakPolarHBondContact O-CD1 3.5Å; T1062-I1066 WeakPolarHBondContact O-CG1 3.48Å; T1062-I1066 PolarHBondContact O-N 3.14Å; T1063-I1066 PolarHBondContact O-N 3.27Å; E1064-I1066 VanDerWaalsContact C-N 3.35Å; E1064-I1066 PolarHBondContact O-N 3.49Å; I1066-Q1068 VanDerWaalsContact C-N 3.33Å; I1066-Q1068 PolarHBondContact O-N 2.81Å; I1066-M1069 PolarHBondContact O-N 3.2Å; I1066-R1070 HydrophobicContact CG2-CG 4.46Å; I1066-R1070 WeakPolarHBondContact O-CG 3.35Å; I1066-R1070 PolarHBondContact O-N 3.1Å |
| 1067 | V | 82.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | Y1030 I1032 L1038 F1043 T1063 E1064 R1070 L1071 | Y1030-V1067 HydrophobicContact CD1-CG2 3.54Å; Y1030-V1067 HydrophobicContact CD2-CG2 3.81Å; Y1030-V1067 HydrophobicContact CE1-CG2 3.59Å; Y1030-V1067 HydrophobicContact CE2-CG2 3.88Å; Y1030-V1067 HydrophobicContact CG-CG2 3.65Å; I1032-V1067 HydrophobicContact CD1-CG1 4.03Å; L1038-V1067 HydrophobicContact CD1-CG1 3.62Å; F1043-V1067 HydrophobicContact CZ-CG1 3.88Å; T1063-V1067 HydrophobicContact CG2-CG2 4.42Å; T1063-V1067 VanDerWaalsContact O-CG2 3.32Å; T1063-V1067 WeakPolarHBondContact O-CG2 3.38Å; T1063-V1067 PolarHBondContact O-N 3.3Å; E1064-V1067 PolarHBondContact O-N 2.71Å; V1067-R1070 PolarHBondContact O-N 3.49Å; V1067-L1071 WeakPolarHBondContact O-CB 3.26Å; V1067-L1071 PolarHBondContact O-N 3.08Å |
| 1068 | Q | 82.4 | Confident | 76.2 | Confident | 48 Ų | 48 | 44.8 Ų | 44.8 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.9 | -73.5 | 178.8 | -3.5 | 0 | 0 | 112.3 | E1064 R1065 I1066 L1071 K1072 | E1064-Q1068 WeakPolarHBondContact O-CB 3.22Å; E1064-Q1068 VanDerWaalsContact O-CG 3.3Å; E1064-Q1068 WeakPolarHBondContact O-CG 3.41Å; E1064-Q1068 PolarHBondContact O-N 3.17Å; R1065-Q1068 PolarHBondContact O-N 3.27Å; I1066-Q1068 VanDerWaalsContact C-N 3.33Å; I1066-Q1068 PolarHBondContact O-N 2.81Å; Q1068-L1071 PolarHBondContact O-N 3.15Å; Q1068-K1072 WeakPolarHBondContact O-CB 3.39Å; Q1068-K1072 WeakPolarHBondContact O-CG 3.48Å; Q1068-K1072 PolarHBondContact O-N 3.37Å |
| 1069 | M | 79.3 | Confident | 78.3 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 176.6 | -73.4 | 178.4 | 71.9 | 0 | 0 | 111.6 | D399 M401 R1065 I1066 K1072 R1073 | D399-M1069 HydrophobicContact CB-CE 3.85Å; D399-M1069 VanDerWaalsContact CG-CE 3.5Å; D399-M1069 WeakPolarHBondContact OD2-CE 3.43Å; M401-M1069 HydrophobicContact CE-CB 4Å; M401-M1069 HydrophobicContact CE-CE 3.26Å; M401-M1069 HydrophobicContact CE-CG 4.25Å; M401-M1069 HydrophobicContact CE-SD 3.24Å; M401-M1069 WeakPolarHBondContact CE-SD 3.21Å; M401-M1069 HydrophobicContact SD-CE 4.37Å; R1065-M1069 HydrophobicContact CG-SD 4.13Å; R1065-M1069 WeakPolarHBondContact O-CB 3.31Å; R1065-M1069 VanDerWaalsContact O-CG 3.25Å; R1065-M1069 WeakPolarHBondContact O-CG 3.48Å; R1065-M1069 PolarHBondContact O-N 3.01Å; I1066-M1069 PolarHBondContact O-N 3.2Å; M1069-K1072 PolarHBondContact O-N 3Å; M1069-R1073 WeakPolarHBondContact O-CG 3.34Å; M1069-R1073 PolarHBondContact O-N 3.2Å |
| 1070 | R | 82.7 | Confident | 79.9 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 19% | 0.192 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 176.4 | -71.8 | -177 | 69.9 | -176.8 | -1.7 | 112.4 | L1026 E1029 Y1030 I1066 V1067 R1073 L1074 | L1026-R1070 HydrophobicContact CD1-CB 4.27Å; E1029-R1070 IonicContact OE1-CZ 3.43Å; E1029-R1070 IonicContact OE1-NH1 3.39Å; E1029-R1070 PolarHBondContact OE1-NH1 3.39Å; E1029-R1070 IonicContact OE1-NH2 3.96Å; E1029-R1070 IonicContact OE2-CZ 3.87Å; E1029-R1070 VanDerWaalsContact OE2-CZ 3.26Å; E1029-R1070 IonicContact OE2-NH1 2.72Å; E1029-R1070 PolarHBondContact OE2-NH1 3.32Å; E1029-R1070 IonicContact OE2-NH2 3.74Å; E1029-R1070 PolarHBondContact OE2-NH2 2.89Å; Y1030-R1070 PolarHBondContact OH-NH1 3.25Å; I1066-R1070 HydrophobicContact CG2-CG 4.46Å; I1066-R1070 WeakPolarHBondContact O-CG 3.35Å; I1066-R1070 PolarHBondContact O-N 3.1Å; V1067-R1070 PolarHBondContact O-N 3.49Å; R1070-R1073 PolarHBondContact O-N 3.21Å; R1070-L1074 WeakPolarHBondContact O-CB 3.37Å; R1070-L1074 PolarHBondContact O-N 2.87Å |
| 1071 | L | 89.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 174.2 | 179.8 | 61.2 | 0 | 0 | 0 | 111.4 | L707 L1026 L1038 F1039 V1067 Q1068 R1073 L1074 I1075 | L707-L1071 HydrophobicContact CD1-CD2 4.02Å; L707-L1071 HydrophobicContact CD2-CD2 4.03Å; L707-L1071 HydrophobicContact CD2-CG 4.36Å; L1026-L1071 HydrophobicContact CD2-CB 4.46Å; L1038-L1071 HydrophobicContact CD1-CB 4.43Å; L1038-L1071 HydrophobicContact CD1-CD1 4.42Å; L1038-L1071 HydrophobicContact CD1-CD2 4.1Å; L1038-L1071 HydrophobicContact CD2-CD1 4.13Å; L1038-L1071 HydrophobicContact CG-CD1 4.08Å; L1038-L1071 HydrophobicContact CG-CD2 3.97Å; L1038-L1071 VanDerWaalsContact O-CD2 3.26Å; L1038-L1071 WeakPolarHBondContact O-CD2 3.34Å; F1039-L1071 HydrophobicContact CD2-CD1 4.39Å; F1039-L1071 HydrophobicContact CD2-CD2 4.47Å; F1039-L1071 HydrophobicContact CE1-CD1 4.38Å; F1039-L1071 HydrophobicContact CE2-CD1 3.81Å; F1039-L1071 HydrophobicContact CG-CD2 4.39Å; F1039-L1071 HydrophobicContact CZ-CD1 3.77Å; V1067-L1071 WeakPolarHBondContact O-CB 3.26Å; V1067-L1071 PolarHBondContact O-N 3.08Å; Q1068-L1071 PolarHBondContact O-N 3.15Å; L1071-R1073 VanDerWaalsContact C-N 3.31Å; L1071-R1073 PolarHBondContact O-N 2.92Å; L1071-L1074 WeakPolarHBondContact O-CB 3.48Å; L1071-L1074 PolarHBondContact O-N 2.98Å; L1071-L1074 VanDerWaalsContact O-N 3.12Å; L1071-I1075 HydrophobicContact CD1-CD1 4.24Å; L1071-I1075 HydrophobicContact CD1-CG1 4.36Å; L1071-I1075 HydrophobicContact CG-CD1 3.96Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.18Å; L1071-I1075 PolarHBondContact O-N 2.81Å |
| 1072 | K | 87.4 | Confident | 83 | Confident | 95 Ų | 95 | 40.9 Ų | 40.9 | 41% | 0.413 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.3 | -43.1 | 175.3 | -76.4 | 177 | 179.1 | -179.1 | 0 | 111.6 | Q706 L707 Q1068 M1069 I1075 A1076 | Q706-K1072 WeakPolarHBondContact O-CE 3.17Å; Q706-K1072 PolarHBondContact O-NZ 2.98Å; L707-K1072 HydrophobicContact CD2-CG 4.05Å; Q1068-K1072 WeakPolarHBondContact O-CB 3.39Å; Q1068-K1072 WeakPolarHBondContact O-CG 3.48Å; Q1068-K1072 PolarHBondContact O-N 3.37Å; M1069-K1072 PolarHBondContact O-N 3Å; K1072-I1075 PolarHBondContact O-N 2.99Å; K1072-A1076 WeakPolarHBondContact O-CB 3.49Å; K1072-A1076 PolarHBondContact O-N 3.24Å |
| 1073 | R | 81.6 | Confident | 84.2 | Confident | 66 Ų | 66 | 40.5 Ų | 40.5 | 25% | 0.249 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.8 | -71 | -180 | -172.2 | 174.5 | 3.2 | 112.3 | D399 M1069 R1070 L1071 I1075 A1076 K1077 | D399-R1073 IonicContact OD2-CZ 2.68Å; D399-R1073 IonicContact OD2-NE 2.76Å; D399-R1073 IonicContact OD2-NH2 3.86Å; D399-R1073 PolarHBondContact OD2-NH2 3.24Å; M1069-R1073 WeakPolarHBondContact O-CG 3.34Å; M1069-R1073 PolarHBondContact O-N 3.2Å; R1070-R1073 PolarHBondContact O-N 3.21Å; L1071-R1073 VanDerWaalsContact C-N 3.31Å; L1071-R1073 PolarHBondContact O-N 2.92Å; R1073-I1075 VanDerWaalsContact C-N 3.33Å; R1073-I1075 PolarHBondContact O-N 2.66Å; R1073-A1076 PolarHBondContact O-N 2.92Å; R1073-K1077 VanDerWaalsContact O-CB 3.32Å; R1073-K1077 WeakPolarHBondContact O-CB 3.43Å; R1073-K1077 PolarHBondContact O-N 3.23Å |
| 1074 | L | 87.3 | Confident | 84.9 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 176.4 | -174.5 | 62.9 | 0 | 0 | 0 | 111.2 | Y1019 L1022 V1023 R1070 L1071 K1077 F1078 | Y1019-L1074 HydrophobicContact CE2-CD2 4.45Å; Y1019-L1074 HydrophobicContact CE2-CG 4.49Å; L1022-L1074 HydrophobicContact CB-CD1 3.74Å; L1022-L1074 HydrophobicContact CB-CD2 4.31Å; L1022-L1074 HydrophobicContact CD1-CD1 3.77Å; L1022-L1074 HydrophobicContact CG-CD1 4.38Å; V1023-L1074 HydrophobicContact CG2-CD2 3.73Å; R1070-L1074 WeakPolarHBondContact O-CB 3.37Å; R1070-L1074 PolarHBondContact O-N 2.87Å; L1071-L1074 WeakPolarHBondContact O-CB 3.48Å; L1071-L1074 PolarHBondContact O-N 2.98Å; L1071-L1074 VanDerWaalsContact O-N 3.12Å; L1074-K1077 WeakPolarHBondContact O-CB 3.44Å; L1074-K1077 PolarHBondContact O-N 3.36Å; L1074-F1078 HydrophobicContact CD1-CD2 4.08Å; L1074-F1078 HydrophobicContact CD1-CE2 3.7Å; L1074-F1078 HydrophobicContact CG-CD2 4.5Å; L1074-F1078 HydrophobicContact CG-CE2 4.48Å; L1074-F1078 WeakPolarHBondContact O-CD2 3.47Å; L1074-F1078 PolarHBondContact O-N 2.78Å |
| 1075 | I | 90.4 | Very high | 85.4 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -50.6 | 175.6 | -67 | 166.1 | 0 | 0 | 0 | 110.5 | L707 F1039 L1071 K1072 R1073 K1077 F1078 R1079 L1128 | L707-I1075 HydrophobicContact CD1-CD1 4.05Å; L707-I1075 HydrophobicContact CD2-CD1 3.92Å; L707-I1075 HydrophobicContact CG-CD1 4.43Å; F1039-I1075 HydrophobicContact CE1-CD1 3.77Å; F1039-I1075 HydrophobicContact CE1-CG1 4.21Å; F1039-I1075 HydrophobicContact CZ-CD1 4.29Å; F1039-I1075 HydrophobicContact CZ-CG1 4.34Å; L1071-I1075 HydrophobicContact CD1-CD1 4.24Å; L1071-I1075 HydrophobicContact CD1-CG1 4.36Å; L1071-I1075 HydrophobicContact CG-CD1 3.96Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.18Å; L1071-I1075 PolarHBondContact O-N 2.81Å; K1072-I1075 PolarHBondContact O-N 2.99Å; R1073-I1075 VanDerWaalsContact C-N 3.33Å; R1073-I1075 PolarHBondContact O-N 2.66Å; I1075-K1077 VanDerWaalsContact C-N 3.3Å; I1075-K1077 PolarHBondContact O-N 2.89Å; I1075-F1078 PolarHBondContact O-N 3.4Å; I1075-R1079 HydrophobicContact CG2-CG 4.31Å; I1075-R1079 WeakPolarHBondContact O-CG 3.32Å; I1075-R1079 PolarHBondContact O-N 2.68Å; I1075-L1128 HydrophobicContact CB-CD2 4.32Å; I1075-L1128 HydrophobicContact CG1-CD2 3.83Å; I1075-L1128 HydrophobicContact CG2-CD2 4.18Å |
| 1076 | A | 86.7 | Confident | 86.1 | Confident | 36 Ų | 36 | 47.2 Ų | 47.2 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.5 | -42.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1072 R1073 F1078 R1079 N1080 | K1072-A1076 WeakPolarHBondContact O-CB 3.49Å; K1072-A1076 PolarHBondContact O-N 3.24Å; R1073-A1076 PolarHBondContact O-N 2.92Å; A1076-F1078 PolarHBondContact O-N 2.93Å; A1076-R1079 PolarHBondContact O-N 3.09Å; A1076-N1080 VanDerWaalsContact O-CB 3.26Å; A1076-N1080 WeakPolarHBondContact O-CB 3.45Å; A1076-N1080 PolarHBondContact O-N 3.45Å; A1076-N1080 PolarHBondContact O-ND2 3.33Å |
| 1077 | K | 85.2 | Confident | 86.3 | Confident | 72 Ų | 72 | 56 Ų | 56 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.2 | -52.2 | 175.5 | 173.8 | -179.4 | 179.4 | 173 | 0 | 112.3 | R1073 L1074 I1075 N1080 Q1081 | R1073-K1077 VanDerWaalsContact O-CB 3.32Å; R1073-K1077 WeakPolarHBondContact O-CB 3.43Å; R1073-K1077 PolarHBondContact O-N 3.23Å; L1074-K1077 WeakPolarHBondContact O-CB 3.44Å; L1074-K1077 PolarHBondContact O-N 3.36Å; I1075-K1077 VanDerWaalsContact C-N 3.3Å; I1075-K1077 PolarHBondContact O-N 2.89Å; K1077-N1080 PolarHBondContact O-N 2.97Å; K1077-Q1081 WeakPolarHBondContact O-CB 3.46Å; K1077-Q1081 PolarHBondContact O-N 3.25Å |
| 1078 | F | 91.8 | Very high | 86 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.1 | -34.1 | -177.5 | -81.1 | -86.9 | 0 | 0 | 0 | 112.3 | T1015 Y1019 L1022 L1074 I1075 A1076 Q1081 F1082 W1106 F1125 L1128 | T1015-F1078 HydrophobicContact CG2-CD1 3.81Å; T1015-F1078 HydrophobicContact CG2-CE1 3.71Å; Y1019-F1078 HydrophobicContact CD2-CD1 4.42Å; Y1019-F1078 AromaticContact CD2-CD2 3.68Å; Y1019-F1078 HydrophobicContact CD2-CD2 3.68Å; Y1019-F1078 HydrophobicContact CD2-CE1 4.39Å; Y1019-F1078 AromaticContact CD2-CE2 3.66Å; Y1019-F1078 HydrophobicContact CD2-CE2 3.66Å; Y1019-F1078 HydrophobicContact CD2-CG 4.08Å; Y1019-F1078 HydrophobicContact CD2-CZ 4.04Å; Y1019-F1078 HydrophobicContact CE2-CD2 4.4Å; Y1019-F1078 HydrophobicContact CG-CE2 4.4Å; Y1019-F1078 HydrophobicContact CG-CZ 4.35Å; L1022-F1078 HydrophobicContact CD1-CE2 3.88Å; L1022-F1078 HydrophobicContact CD1-CZ 4.07Å; L1074-F1078 HydrophobicContact CD1-CD2 4.08Å; L1074-F1078 HydrophobicContact CD1-CE2 3.7Å; L1074-F1078 HydrophobicContact CG-CD2 4.5Å; L1074-F1078 HydrophobicContact CG-CE2 4.48Å; L1074-F1078 WeakPolarHBondContact O-CD2 3.47Å; L1074-F1078 PolarHBondContact O-N 2.78Å; I1075-F1078 PolarHBondContact O-N 3.4Å; A1076-F1078 PolarHBondContact O-N 2.93Å; F1078-Q1081 PolarHBondContact O-N 3.36Å; F1078-F1082 WeakPolarHBondContact O-CB 3.09Å; F1078-F1082 PolarHBondContact O-N 2.8Å; F1078-W1106 HydrophobicContact CB-CH2 4.32Å; F1078-W1106 HydrophobicContact CB-CZ3 4.42Å; F1078-W1106 HydrophobicContact CD1-CH2 4.38Å; F1078-F1125 HydrophobicContact CD1-CE2 4.47Å; F1078-L1128 HydrophobicContact CB-CD1 3.74Å; F1078-L1128 HydrophobicContact CG-CD1 4.25Å |
| 1079 | R | 90.5 | Very high | 85.5 | Confident | 59 Ų | 59 | 61 Ų | 61 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 171.6 | -71.5 | -177.5 | 63.4 | 84.4 | 0.3 | 111.6 | I1075 A1076 F1082 A1083 L1128 M1129 D1131 | I1075-R1079 HydrophobicContact CG2-CG 4.31Å; I1075-R1079 WeakPolarHBondContact O-CG 3.32Å; I1075-R1079 PolarHBondContact O-N 2.68Å; A1076-R1079 PolarHBondContact O-N 3.09Å; R1079-F1082 WeakPolarHBondContact O-CB 3.35Å; R1079-F1082 PolarHBondContact O-N 3.01Å; R1079-A1083 PolarHBondContact O-N 3.06Å; R1079-L1128 WeakPolarHBondContact CD-O 3.24Å; R1079-L1128 WeakPolarHBondContact CG-O 3.48Å; R1079-L1128 PolarHBondContact NH1-O 2.98Å; R1079-M1129 HydrophobicContact CB-SD 4.46Å; R1079-M1129 HydrophobicContact CG-SD 3.9Å; R1079-D1131 IonicContact CZ-OD1 2.66Å; R1079-D1131 IonicContact CZ-OD2 2.95Å; R1079-D1131 IonicContact NH1-OD1 3.81Å; R1079-D1131 PolarHBondContact NH1-OD1 3.46Å; R1079-D1131 IonicContact NH1-OD2 3.19Å; R1079-D1131 PolarHBondContact NH1-OD2 2.95Å; R1079-D1131 IonicContact NH2-OD1 2.92Å; R1079-D1131 IonicContact NH2-OD2 2.64Å; R1079-D1131 PolarHBondContact NH2-OD2 3.49Å |
| 1080 | N | 87.6 | Confident | 85.1 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 176.3 | -70.9 | -15.5 | 0 | 0 | 0 | 111.7 | A1076 K1077 F1082 A1083 R1084 | A1076-N1080 VanDerWaalsContact O-CB 3.26Å; A1076-N1080 WeakPolarHBondContact O-CB 3.45Å; A1076-N1080 PolarHBondContact O-N 3.45Å; A1076-N1080 PolarHBondContact O-ND2 3.33Å; K1077-N1080 PolarHBondContact O-N 2.97Å; N1080-F1082 VanDerWaalsContact C-N 3.27Å; N1080-F1082 PolarHBondContact O-N 3.25Å; N1080-A1083 PolarHBondContact O-N 3.43Å; N1080-R1084 WeakPolarHBondContact O-CB 3.11Å; N1080-R1084 VanDerWaalsContact O-CG 3.29Å; N1080-R1084 WeakPolarHBondContact O-CG 3.37Å; N1080-R1084 PolarHBondContact O-N 3.16Å |
| 1081 | Q | 87.4 | Confident | 84.7 | Confident | 78 Ų | 78 | 64.9 Ų | 64.9 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 173.2 | -175 | -171 | -18.6 | 0 | 0 | 111.4 | K1077 F1078 | K1077-Q1081 WeakPolarHBondContact O-CB 3.46Å; K1077-Q1081 PolarHBondContact O-N 3.25Å; F1078-Q1081 PolarHBondContact O-N 3.36Å |
| 1082 | F | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 176 | -173.3 | -78.1 | 0 | 0 | 0 | 111.4 | F1078 R1079 N1080 F1086 L1093 A1099 K1102 A1103 W1106 M1129 L1132 | F1078-F1082 WeakPolarHBondContact O-CB 3.09Å; F1078-F1082 PolarHBondContact O-N 2.8Å; R1079-F1082 WeakPolarHBondContact O-CB 3.35Å; R1079-F1082 PolarHBondContact O-N 3.01Å; N1080-F1082 VanDerWaalsContact C-N 3.27Å; N1080-F1082 PolarHBondContact O-N 3.25Å; F1082-F1086 HydrophobicContact CD1-CD2 4.39Å; F1082-F1086 HydrophobicContact CD1-CE2 4.1Å; F1082-F1086 HydrophobicContact CE1-CD2 4.2Å; F1082-F1086 AromaticContact CE1-CE2 3.69Å; F1082-F1086 HydrophobicContact CE1-CE2 3.69Å; F1082-F1086 HydrophobicContact CZ-CE2 4.05Å; F1082-F1086 WeakPolarHBondContact O-CD2 3.45Å; F1082-L1093 HydrophobicContact CD1-CD1 4.36Å; F1082-L1093 HydrophobicContact CE1-CD2 4.46Å; F1082-A1099 HydrophobicContact CE1-CB 4.18Å; F1082-A1099 WeakPolarHBondContact CZ-O 3.37Å; F1082-K1102 HydrophobicContact CD2-CD 4.18Å; F1082-K1102 HydrophobicContact CD2-CG 4.45Å; F1082-K1102 HydrophobicContact CE2-CB 4.06Å; F1082-K1102 HydrophobicContact CE2-CD 3.77Å; F1082-K1102 HydrophobicContact CE2-CG 3.71Å; F1082-K1102 HydrophobicContact CZ-CB 4.1Å; F1082-K1102 HydrophobicContact CZ-CD 4.16Å; F1082-K1102 HydrophobicContact CZ-CG 4.21Å; F1082-A1103 HydrophobicContact CE2-CB 4.27Å; F1082-A1103 HydrophobicContact CZ-CB 3.98Å; F1082-W1106 HydrophobicContact CB-CH2 3.92Å; F1082-W1106 HydrophobicContact CB-CZ2 4.26Å; F1082-W1106 HydrophobicContact CD2-CD2 4.11Å; F1082-W1106 AromaticContact CD2-CE2 3.74Å; F1082-W1106 HydrophobicContact CD2-CE3 4.27Å; F1082-W1106 AromaticContact CD2-CH2 3.79Å; F1082-W1106 HydrophobicContact CD2-CH2 3.79Å; F1082-W1106 AromaticContact CD2-CZ2 3.61Å; F1082-W1106 HydrophobicContact CD2-CZ2 3.61Å; F1082-W1106 HydrophobicContact CD2-CZ3 4.11Å; F1082-W1106 HydrophobicContact CE2-CD2 4.38Å; F1082-W1106 HydrophobicContact CG-CH2 4.36Å; F1082-W1106 HydrophobicContact CG-CZ2 4.43Å; F1082-M1129 HydrophobicContact CB-SD 4.1Å; F1082-M1129 HydrophobicContact CD1-CE 3.69Å; F1082-M1129 HydrophobicContact CD1-SD 4.2Å; F1082-M1129 HydrophobicContact CD2-CG 3.95Å; F1082-M1129 HydrophobicContact CD2-SD 4.21Å; F1082-M1129 HydrophobicContact CE1-CE 3.96Å; F1082-M1129 HydrophobicContact CE2-CG 4.06Å; F1082-M1129 HydrophobicContact CG-CE 4.06Å; F1082-M1129 HydrophobicContact CG-CG 4.26Å; F1082-M1129 HydrophobicContact CG-SD 3.92Å; F1082-M1129 HydrophobicContact CZ-CG 4.45Å; F1082-L1132 HydrophobicContact CD1-CD1 4.36Å; F1082-L1132 HydrophobicContact CE1-CD1 3.44Å; F1082-L1132 VanDerWaalsContact CE1-CD1 3.44Å; F1082-L1132 HydrophobicContact CZ-CD1 3.7Å |
| 1083 | A | 88 | Confident | 84.3 | Confident | 12 Ų | 12 | 65 Ų | 65 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1079 N1080 E1085 F1086 L1093 | R1079-A1083 PolarHBondContact O-N 3.06Å; N1080-A1083 PolarHBondContact O-N 3.43Å; A1083-E1085 PolarHBondContact O-N 3.09Å; A1083-E1085 VanDerWaalsContact O-N 3.11Å; A1083-F1086 PolarHBondContact O-N 2.86Å; A1083-L1093 HydrophobicContact CB-CD1 3.9Å |
| 1084 | R | 86.3 | Confident | 84.5 | Confident | 198 Ų | 198 | 63.4 Ų | 63.4 | 75% | 0.747 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.1 | -29.5 | -178.8 | -79.7 | 178.6 | -177.4 | -177.4 | 2.6 | 114.2 | N1080 F1086 | N1080-R1084 WeakPolarHBondContact O-CB 3.11Å; N1080-R1084 VanDerWaalsContact O-CG 3.29Å; N1080-R1084 WeakPolarHBondContact O-CG 3.37Å; N1080-R1084 PolarHBondContact O-N 3.16Å; R1084-F1086 PolarHBondContact O-N 3.13Å |
| 1085 | E | 86.6 | Confident | 84.6 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.5 | -179.9 | -168.3 | 174.7 | 112.5 | 0 | 0 | 113.3 | A1083 K1102 | A1083-E1085 PolarHBondContact O-N 3.09Å; A1083-E1085 VanDerWaalsContact O-N 3.11Å; E1085-K1102 IonicContact OE1-NZ 2.67Å; E1085-K1102 PolarHBondContact OE1-NZ 3.07Å; E1085-K1102 IonicContact OE2-NZ 2.69Å; E1085-K1102 PolarHBondContact OE2-NZ 2.64Å |
| 1086 | F | 87.9 | Confident | 84.6 | Confident | 27 Ų | 27 | 68.4 Ų | 68.4 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -4.9 | -177.1 | -61.9 | -73.3 | 0 | 0 | 0 | 113.7 | F1082 A1083 R1084 V1088 L1093 K1098 A1099 K1102 | F1082-F1086 HydrophobicContact CD1-CD2 4.39Å; F1082-F1086 HydrophobicContact CD1-CE2 4.1Å; F1082-F1086 HydrophobicContact CE1-CD2 4.2Å; F1082-F1086 AromaticContact CE1-CE2 3.69Å; F1082-F1086 HydrophobicContact CE1-CE2 3.69Å; F1082-F1086 HydrophobicContact CZ-CE2 4.05Å; F1082-F1086 WeakPolarHBondContact O-CD2 3.45Å; A1083-F1086 PolarHBondContact O-N 2.86Å; R1084-F1086 PolarHBondContact O-N 3.13Å; F1086-V1088 HydrophobicContact CB-CG2 3.79Å; F1086-V1088 WeakPolarHBondContact O-CG1 3.41Å; F1086-V1088 PolarHBondContact O-N 3.33Å; F1086-L1093 HydrophobicContact CB-CD2 3.99Å; F1086-L1093 HydrophobicContact CD2-CD2 3.78Å; F1086-L1093 HydrophobicContact CG-CD2 4.16Å; F1086-K1098 HydrophobicContact CD1-CB 4.48Å; F1086-K1098 HydrophobicContact CE1-CB 3.76Å; F1086-A1099 HydrophobicContact CD1-CB 4.3Å; F1086-A1099 HydrophobicContact CD2-CB 3.97Å; F1086-A1099 HydrophobicContact CE1-CB 4.14Å; F1086-A1099 HydrophobicContact CE2-CB 3.78Å; F1086-A1099 HydrophobicContact CG-CB 4.23Å; F1086-A1099 HydrophobicContact CZ-CB 3.88Å; F1086-K1102 HydrophobicContact CE2-CD 3.73Å; F1086-K1102 HydrophobicContact CZ-CB 4.05Å; F1086-K1102 HydrophobicContact CZ-CD 3.57Å |
| 1087 | E | 80 | Confident | 84.9 | Confident | 189 Ų | 189 | 71.2 Ų | 71.2 | 88% | 0.883 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 26.9 | 179.7 | -59.2 | -177.7 | 169.1 | 0 | 0 | 114.3 | ||
| 1088 | V | 76.4 | Confident | 85.3 | Confident | 41 Ų | 41 | 74.6 Ų | 74.6 | 25% | 0.248 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -118.9 | 157.1 | 178.6 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | F1086 E1092 L1093 | F1086-V1088 HydrophobicContact CB-CG2 3.79Å; F1086-V1088 WeakPolarHBondContact O-CG1 3.41Å; F1086-V1088 PolarHBondContact O-N 3.33Å; V1088-E1092 HydrophobicContact CB-CB 3.97Å; V1088-E1092 HydrophobicContact CG2-CB 4.34Å; V1088-L1093 HydrophobicContact CG2-CD2 3.55Å; V1088-L1093 HydrophobicContact CG2-CG 4.08Å |
| 1089 | D | 72.3 | Confident | 85.4 | Confident | 114 Ų | 114 | 74.5 Ų | 74.5 | 61% | 0.61 | 38% | 0.378 | S | S | * | . | trans | -62.3 | 153.3 | 172.9 | -80.2 | -27.3 | 0 | 0 | 0 | 111.4 | S1091 E1092 L1093 | D1089-S1091 PolarHBondContact O-N 2.93Å; D1089-S1091 VanDerWaalsContact O-N 3.1Å; D1089-E1092 HydrophobicContact CB-CG 4.44Å; D1089-E1092 PolarHBondContact O-N 2.81Å; D1089-L1093 PolarHBondContact O-N 3.21Å | ||
| 1090 | S | 71 | Confident | 85.6 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.9 | -177.8 | -68 | 0 | 0 | 0 | 0 | 113 | ||
| 1091 | S | 73.8 | Confident | 86 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 67% | 0.671 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -28.5 | 175 | 44.3 | 0 | 0 | 0 | 0 | 113.4 | D1089 | D1089-S1091 PolarHBondContact O-N 2.93Å; D1089-S1091 VanDerWaalsContact O-N 3.1Å |
| 1092 | E | 80.7 | Confident | 86.5 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -18.8 | -175.9 | -66.3 | -173.4 | 174.4 | 0 | 0 | 112.9 | V1088 D1089 A1094 T1095 N1096 | V1088-E1092 HydrophobicContact CB-CB 3.97Å; V1088-E1092 HydrophobicContact CG2-CB 4.34Å; D1089-E1092 HydrophobicContact CB-CG 4.44Å; D1089-E1092 PolarHBondContact O-N 2.81Å; E1092-A1094 PolarHBondContact O-N 3.39Å; E1092-A1094 VanDerWaalsContact O-N 3.11Å; E1092-T1095 PolarHBondContact O-N 3.12Å; E1092-T1095 PolarHBondContact O-OG1 3.13Å; E1092-N1096 PolarHBondContact O-N 3.27Å |
| 1093 | L | 86.4 | Confident | 86.7 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -54.2 | -33.4 | 178.8 | -70 | 172.5 | 0 | 0 | 0 | 113.2 | F1082 A1083 F1086 V1088 D1089 T1095 N1096 A1099 L1132 | F1082-L1093 HydrophobicContact CD1-CD1 4.36Å; F1082-L1093 HydrophobicContact CE1-CD2 4.46Å; A1083-L1093 HydrophobicContact CB-CD1 3.9Å; F1086-L1093 HydrophobicContact CB-CD2 3.99Å; F1086-L1093 HydrophobicContact CD2-CD2 3.78Å; F1086-L1093 HydrophobicContact CG-CD2 4.16Å; V1088-L1093 HydrophobicContact CG2-CD2 3.55Å; V1088-L1093 HydrophobicContact CG2-CG 4.08Å; D1089-L1093 PolarHBondContact O-N 3.21Å; L1093-T1095 PolarHBondContact O-N 2.76Å; L1093-N1096 PolarHBondContact O-N 3.01Å; L1093-A1099 HydrophobicContact CD2-CB 4.1Å; L1093-L1132 HydrophobicContact CB-CD1 4.32Å; L1093-L1132 HydrophobicContact CB-CD2 3.91Å |
| 1094 | A | 87 | Confident | 87.1 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -64.6 | -22.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1092 L1132 V1135 R1139 | E1092-A1094 PolarHBondContact O-N 3.39Å; E1092-A1094 VanDerWaalsContact O-N 3.11Å; A1094-L1132 HydrophobicContact CB-CD2 4.24Å; A1094-V1135 HydrophobicContact CB-CG2 4.12Å; A1094-R1139 PolarHBondContact O-NH2 2.91Å |
| 1095 | T | 88.2 | Confident | 87.6 | Confident | 104 Ų | 104 | 55.2 Ų | 55.2 | 64% | 0.638 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -94.2 | -14.2 | 178.5 | 67.7 | 0 | 0 | 0 | 0 | 113 | E1092 L1093 E1097 | E1092-T1095 PolarHBondContact O-N 3.12Å; E1092-T1095 PolarHBondContact O-OG1 3.13Å; L1093-T1095 PolarHBondContact O-N 2.76Å; T1095-E1097 PolarHBondContact O-N 3.46Å |
| 1096 | N | 91 | Very high | 88.1 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | trans | -87.8 | 110.9 | -175.7 | -173.9 | -38.2 | 0 | 0 | 0 | 111.7 | E1092 L1093 K1098 A1099 L1100 | E1092-N1096 PolarHBondContact O-N 3.27Å; L1093-N1096 PolarHBondContact O-N 3.01Å; N1096-K1098 VanDerWaalsContact C-N 3.27Å; N1096-K1098 PolarHBondContact O-N 3.29Å; N1096-K1098 WeakPolarHBondContact OD1-CB 3.29Å; N1096-K1098 PolarHBondContact OD1-N 2.86Å; N1096-A1099 HydrophobicContact CB-CB 3.83Å; N1096-A1099 WeakPolarHBondContact O-CA 3.38Å; N1096-A1099 WeakPolarHBondContact O-CB 3.5Å; N1096-A1099 PolarHBondContact O-N 3.2Å; N1096-A1099 PolarHBondContact OD1-N 3.01Å; N1096-L1100 PolarHBondContact O-N 3.34Å | ||
| 1097 | E | 93 | Very high | 88.4 | Confident | 95 Ų | 95 | 49.8 Ų | 49.8 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.2 | -36.6 | -179.5 | -65.5 | -57.1 | 138 | 0 | 0 | 114.1 | Y1002 T1095 A1101 R1139 | Y1002-E1097 WeakPolarHBondContact CE1-OE2 3.21Å; Y1002-E1097 VanDerWaalsContact CZ-OE2 3.24Å; Y1002-E1097 PolarHBondContact OH-OE2 3.44Å; T1095-E1097 PolarHBondContact O-N 3.46Å; E1097-A1101 WeakPolarHBondContact O-CB 3.47Å; E1097-A1101 PolarHBondContact O-N 3.17Å; E1097-R1139 IonicContact OE1-CZ 3.49Å; E1097-R1139 IonicContact OE1-NH1 3.59Å; E1097-R1139 PolarHBondContact OE1-NH1 2.74Å; E1097-R1139 IonicContact OE1-NH2 3.64Å; E1097-R1139 IonicContact OE2-NH1 3.18Å |
| 1098 | K | 93.3 | Very high | 89.1 | Confident | 144 Ų | 144 | 40.8 Ų | 40.8 | 63% | 0.626 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -70.5 | -37.7 | 177.4 | -67.2 | -177.7 | 178.9 | 177 | 0 | 111 | F1008 F1086 N1096 A1101 K1102 | F1008-K1098 HydrophobicContact CZ-CB 4.09Å; F1086-K1098 HydrophobicContact CD1-CB 4.48Å; F1086-K1098 HydrophobicContact CE1-CB 3.76Å; N1096-K1098 VanDerWaalsContact C-N 3.27Å; N1096-K1098 PolarHBondContact O-N 3.29Å; N1096-K1098 WeakPolarHBondContact OD1-CB 3.29Å; N1096-K1098 PolarHBondContact OD1-N 2.86Å; K1098-A1101 PolarHBondContact O-N 3.39Å; K1098-K1102 WeakPolarHBondContact O-CB 3.36Å; K1098-K1102 PolarHBondContact O-N 3.35Å |
| 1099 | A | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1082 F1086 L1093 N1096 A1101 K1102 A1103 | F1082-A1099 HydrophobicContact CE1-CB 4.18Å; F1082-A1099 WeakPolarHBondContact CZ-O 3.37Å; F1086-A1099 HydrophobicContact CD1-CB 4.3Å; F1086-A1099 HydrophobicContact CD2-CB 3.97Å; F1086-A1099 HydrophobicContact CE1-CB 4.14Å; F1086-A1099 HydrophobicContact CE2-CB 3.78Å; F1086-A1099 HydrophobicContact CG-CB 4.23Å; F1086-A1099 HydrophobicContact CZ-CB 3.88Å; L1093-A1099 HydrophobicContact CD2-CB 4.1Å; N1096-A1099 HydrophobicContact CB-CB 3.83Å; N1096-A1099 WeakPolarHBondContact O-CA 3.38Å; N1096-A1099 WeakPolarHBondContact O-CB 3.5Å; N1096-A1099 PolarHBondContact O-N 3.2Å; N1096-A1099 PolarHBondContact OD1-N 3.01Å; A1099-A1101 PolarHBondContact O-N 2.9Å; A1099-K1102 PolarHBondContact O-N 3.27Å; A1099-A1103 PolarHBondContact O-N 3.04Å |
| 1100 | L | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.1 | -61.5 | 178.9 | 0 | 0 | 0 | 112.1 | Y1002 N1096 K1102 A1103 S1104 L1132 V1135 I1136 R1139 | Y1002-L1100 HydrophobicContact CD1-CB 3.7Å; Y1002-L1100 HydrophobicContact CE1-CB 3.74Å; Y1002-L1100 HydrophobicContact CE1-CD1 4.08Å; N1096-L1100 PolarHBondContact O-N 3.34Å; L1100-K1102 VanDerWaalsContact C-N 3.29Å; L1100-K1102 PolarHBondContact O-N 3.45Å; L1100-A1103 PolarHBondContact O-N 2.88Å; L1100-S1104 WeakPolarHBondContact O-CB 3.49Å; L1100-S1104 PolarHBondContact O-N 3.08Å; L1100-L1132 HydrophobicContact CD2-CB 4.04Å; L1100-L1132 HydrophobicContact CD2-CD2 4.24Å; L1100-V1135 HydrophobicContact CD1-CG1 4.13Å; L1100-V1135 HydrophobicContact CD2-CB 4.22Å; L1100-V1135 HydrophobicContact CD2-CG1 4.12Å; L1100-I1136 HydrophobicContact CB-CD1 4.22Å; L1100-I1136 HydrophobicContact CB-CG1 4.05Å; L1100-I1136 HydrophobicContact CD2-CG1 4.17Å; L1100-I1136 VanDerWaalsContact O-CD1 3.24Å; L1100-I1136 WeakPolarHBondContact O-CD1 3.43Å; L1100-R1139 VanDerWaalsContact CD1-NH1 3.27Å |
| 1101 | A | 96.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1005 F1008 E1097 K1098 A1099 S1104 A1105 | W1005-A1101 VanDerWaalsContact CA-O 3.29Å; W1005-A1101 WeakPolarHBondContact CA-O 3.44Å; W1005-A1101 WeakPolarHBondContact CB-O 3.43Å; F1008-A1101 HydrophobicContact CD2-CB 4.15Å; F1008-A1101 HydrophobicContact CE2-CB 3.95Å; E1097-A1101 WeakPolarHBondContact O-CB 3.47Å; E1097-A1101 PolarHBondContact O-N 3.17Å; K1098-A1101 PolarHBondContact O-N 3.39Å; A1099-A1101 PolarHBondContact O-N 2.9Å; A1101-S1104 WeakPolarHBondContact O-CB 3.18Å; A1101-A1105 PolarHBondContact O-N 3.3Å |
| 1102 | K | 96.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.8 | -40.4 | 175.9 | -173.8 | -177.6 | 175.6 | -179.9 | 0 | 112.9 | F1008 F1082 E1085 F1086 K1098 A1099 L1100 S1104 A1105 W1106 | F1008-K1102 HydrophobicContact CB-CB 4.26Å; F1008-K1102 HydrophobicContact CB-CG 4.16Å; F1008-K1102 HydrophobicContact CD1-CB 3.85Å; F1008-K1102 HydrophobicContact CD1-CD 4.1Å; F1008-K1102 HydrophobicContact CD1-CG 3.85Å; F1008-K1102 HydrophobicContact CD2-CB 4.16Å; F1008-K1102 HydrophobicContact CE1-CB 4.21Å; F1008-K1102 HydrophobicContact CE1-CD 4.43Å; F1008-K1102 HydrophobicContact CE1-CG 4.5Å; F1008-K1102 HydrophobicContact CE2-CB 4.5Å; F1008-K1102 HydrophobicContact CG-CB 3.82Å; F1008-K1102 HydrophobicContact CG-CG 4.05Å; F1082-K1102 HydrophobicContact CD2-CD 4.18Å; F1082-K1102 HydrophobicContact CD2-CG 4.45Å; F1082-K1102 HydrophobicContact CE2-CB 4.06Å; F1082-K1102 HydrophobicContact CE2-CD 3.77Å; F1082-K1102 HydrophobicContact CE2-CG 3.71Å; F1082-K1102 HydrophobicContact CZ-CB 4.1Å; F1082-K1102 HydrophobicContact CZ-CD 4.16Å; F1082-K1102 HydrophobicContact CZ-CG 4.21Å; E1085-K1102 IonicContact OE1-NZ 2.67Å; E1085-K1102 PolarHBondContact OE1-NZ 3.07Å; E1085-K1102 IonicContact OE2-NZ 2.69Å; E1085-K1102 PolarHBondContact OE2-NZ 2.64Å; F1086-K1102 HydrophobicContact CE2-CD 3.73Å; F1086-K1102 HydrophobicContact CZ-CB 4.05Å; F1086-K1102 HydrophobicContact CZ-CD 3.57Å; K1098-K1102 WeakPolarHBondContact O-CB 3.36Å; K1098-K1102 PolarHBondContact O-N 3.35Å; A1099-K1102 PolarHBondContact O-N 3.27Å; L1100-K1102 VanDerWaalsContact C-N 3.29Å; L1100-K1102 PolarHBondContact O-N 3.45Å; K1102-S1104 VanDerWaalsContact C-N 3.29Å; K1102-S1104 PolarHBondContact O-N 2.95Å; K1102-A1105 WeakPolarHBondContact O-CA 3.32Å; K1102-A1105 WeakPolarHBondContact O-CB 3.21Å; K1102-A1105 PolarHBondContact O-N 2.93Å; K1102-W1106 PolarHBondContact O-N 3.41Å |
| 1103 | A | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | F1082 A1099 L1100 A1105 W1106 Y1107 M1129 L1132 I1136 | F1082-A1103 HydrophobicContact CE2-CB 4.27Å; F1082-A1103 HydrophobicContact CZ-CB 3.98Å; A1099-A1103 PolarHBondContact O-N 3.04Å; L1100-A1103 PolarHBondContact O-N 2.88Å; A1103-A1105 VanDerWaalsContact C-N 3.32Å; A1103-A1105 PolarHBondContact O-N 3.18Å; A1103-W1106 PolarHBondContact O-N 3.39Å; A1103-Y1107 PolarHBondContact O-N 3.48Å; A1103-M1129 HydrophobicContact CB-CB 4.19Å; A1103-L1132 HydrophobicContact CB-CB 3.76Å; A1103-L1132 HydrophobicContact CB-CD1 3.98Å; A1103-I1136 HydrophobicContact CB-CD1 4.49Å |
| 1104 | S | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56 | -45.3 | 169.9 | -178.7 | 0 | 0 | 0 | 0 | 112 | L1000 A1001 Y1002 L1100 A1101 K1102 W1106 Y1107 M1108 | L1000-S1104 VanDerWaalsContact O-CB 3.27Å; L1000-S1104 WeakPolarHBondContact O-CB 3.17Å; L1000-S1104 PolarHBondContact O-OG 3.42Å; A1001-S1104 VanDerWaalsContact CA-OG 3.26Å; A1001-S1104 WeakPolarHBondContact CA-OG 3.35Å; Y1002-S1104 PolarHBondContact N-OG 3.49Å; L1100-S1104 WeakPolarHBondContact O-CB 3.49Å; L1100-S1104 PolarHBondContact O-N 3.08Å; A1101-S1104 WeakPolarHBondContact O-CB 3.18Å; K1102-S1104 VanDerWaalsContact C-N 3.29Å; K1102-S1104 PolarHBondContact O-N 2.95Å; S1104-W1106 VanDerWaalsContact C-N 3.31Å; S1104-W1106 PolarHBondContact O-N 3.38Å; S1104-Y1107 PolarHBondContact O-N 2.62Å; S1104-M1108 WeakPolarHBondContact O-CB 3.46Å; S1104-M1108 WeakPolarHBondContact O-CG 3.34Å; S1104-M1108 PolarHBondContact O-N 3.36Å |
| 1105 | A | 96.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1005 F1008 A1012 A1101 K1102 A1103 M1108 V1109 | W1005-A1105 HydrophobicContact CB-CB 4.12Å; W1005-A1105 HydrophobicContact CE3-CB 4.21Å; W1005-A1105 VanDerWaalsContact O-CB 3.27Å; W1005-A1105 WeakPolarHBondContact O-CB 3.38Å; F1008-A1105 HydrophobicContact CB-CB 3.68Å; A1012-A1105 HydrophobicContact CB-CB 4.03Å; A1101-A1105 PolarHBondContact O-N 3.3Å; K1102-A1105 WeakPolarHBondContact O-CA 3.32Å; K1102-A1105 WeakPolarHBondContact O-CB 3.21Å; K1102-A1105 PolarHBondContact O-N 2.93Å; A1103-A1105 VanDerWaalsContact C-N 3.32Å; A1103-A1105 PolarHBondContact O-N 3.18Å; A1105-M1108 PolarHBondContact O-N 2.95Å; A1105-V1109 WeakPolarHBondContact O-CB 3.5Å; A1105-V1109 VanDerWaalsContact O-CG2 3.3Å; A1105-V1109 WeakPolarHBondContact O-CG2 3.25Å; A1105-V1109 PolarHBondContact O-N 2.9Å |
| 1106 | W | 96.6 | Very high | 85.9 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 176 | -77.2 | 27.6 | 0 | 0 | 0 | 111.6 | T1015 F1078 F1082 K1102 A1103 S1104 A1110 F1125 L1128 M1129 | T1015-W1106 HydrophobicContact CG2-CH2 4.25Å; T1015-W1106 HydrophobicContact CG2-CZ2 3.79Å; F1078-W1106 HydrophobicContact CB-CH2 4.32Å; F1078-W1106 HydrophobicContact CB-CZ3 4.42Å; F1078-W1106 HydrophobicContact CD1-CH2 4.38Å; F1082-W1106 HydrophobicContact CB-CH2 3.92Å; F1082-W1106 HydrophobicContact CB-CZ2 4.26Å; F1082-W1106 HydrophobicContact CD2-CD2 4.11Å; F1082-W1106 AromaticContact CD2-CE2 3.74Å; F1082-W1106 HydrophobicContact CD2-CE3 4.27Å; F1082-W1106 AromaticContact CD2-CH2 3.79Å; F1082-W1106 HydrophobicContact CD2-CH2 3.79Å; F1082-W1106 AromaticContact CD2-CZ2 3.61Å; F1082-W1106 HydrophobicContact CD2-CZ2 3.61Å; F1082-W1106 HydrophobicContact CD2-CZ3 4.11Å; F1082-W1106 HydrophobicContact CE2-CD2 4.38Å; F1082-W1106 HydrophobicContact CG-CH2 4.36Å; F1082-W1106 HydrophobicContact CG-CZ2 4.43Å; K1102-W1106 PolarHBondContact O-N 3.41Å; A1103-W1106 PolarHBondContact O-N 3.39Å; S1104-W1106 VanDerWaalsContact C-N 3.31Å; S1104-W1106 PolarHBondContact O-N 3.38Å; W1106-A1110 PolarHBondContact O-N 2.78Å; W1106-F1125 HydrophobicContact CB-CD1 4.06Å; W1106-F1125 HydrophobicContact CB-CE1 3.61Å; W1106-F1125 HydrophobicContact CB-CZ 4.18Å; W1106-F1125 AromaticContact CD2-CE1 3.75Å; W1106-F1125 HydrophobicContact CD2-CE1 3.75Å; W1106-F1125 AromaticContact CD2-CE2 3.88Å; W1106-F1125 HydrophobicContact CD2-CE2 3.88Å; W1106-F1125 AromaticContact CD2-CZ 3.33Å; W1106-F1125 HydrophobicContact CD2-CZ 3.33Å; W1106-F1125 AromaticContact CE2-CZ 3.63Å; W1106-F1125 HydrophobicContact CE3-CD2 4.24Å; W1106-F1125 HydrophobicContact CE3-CE1 4.17Å; W1106-F1125 AromaticContact CE3-CE2 3.67Å; W1106-F1125 HydrophobicContact CE3-CE2 3.67Å; W1106-F1125 AromaticContact CE3-CZ 3.63Å; W1106-F1125 HydrophobicContact CE3-CZ 3.63Å; W1106-F1125 HydrophobicContact CG-CD1 4.38Å; W1106-F1125 AromaticContact CG-CE1 3.52Å; W1106-F1125 HydrophobicContact CG-CE1 3.52Å; W1106-F1125 AromaticContact CG-CZ 3.61Å; W1106-F1125 HydrophobicContact CG-CZ 3.61Å; W1106-F1125 HydrophobicContact CH2-CE2 4.23Å; W1106-F1125 HydrophobicContact CH2-CZ 4.42Å; W1106-F1125 HydrophobicContact CZ2-CE2 4.4Å; W1106-F1125 HydrophobicContact CZ2-CZ 4.16Å; W1106-F1125 AromaticContact CZ3-CE2 3.87Å; W1106-F1125 HydrophobicContact CZ3-CE2 3.87Å; W1106-F1125 HydrophobicContact CZ3-CZ 4.18Å; W1106-F1125 WeakPolarHBondContact O-CD1 3.32Å; W1106-L1128 HydrophobicContact CZ3-CB 4.36Å; W1106-L1128 HydrophobicContact CZ3-CD1 4.07Å; W1106-M1129 HydrophobicContact CE3-CG 4.07Å; W1106-M1129 HydrophobicContact CZ3-CG 4.19Å |
| 1107 | Y | 95.2 | Very high | 83.5 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -49.7 | 174.4 | 177.8 | -94.6 | 0 | 0 | 0 | 111.8 | V996 D997 L1000 A1103 S1104 V1109 A1110 Y1111 W1127 L1133 | V996-Y1107 HydrophobicContact CG1-CE1 4.18Å; D997-Y1107 HydrophobicContact CB-CE1 4.37Å; D997-Y1107 WeakPolarHBondContact CB-OH 3.32Å; D997-Y1107 PolarHBondContact N-OH 3.39Å; L1000-Y1107 HydrophobicContact CB-CD1 3.85Å; L1000-Y1107 HydrophobicContact CB-CE1 3.97Å; L1000-Y1107 HydrophobicContact CB-CG 4.44Å; L1000-Y1107 HydrophobicContact CD1-CD1 4Å; L1000-Y1107 HydrophobicContact CD1-CD2 3.92Å; L1000-Y1107 HydrophobicContact CD1-CE1 3.73Å; L1000-Y1107 HydrophobicContact CD1-CE2 3.66Å; L1000-Y1107 HydrophobicContact CD1-CG 4.1Å; L1000-Y1107 HydrophobicContact CG-CE1 4.43Å; A1103-Y1107 PolarHBondContact O-N 3.48Å; S1104-Y1107 PolarHBondContact O-N 2.62Å; Y1107-V1109 VanDerWaalsContact C-N 3.33Å; Y1107-V1109 PolarHBondContact O-N 3.34Å; Y1107-A1110 PolarHBondContact O-N 3.13Å; Y1107-Y1111 AromaticContact CD2-CD2 3.88Å; Y1107-Y1111 HydrophobicContact CD2-CD2 3.88Å; Y1107-Y1111 AromaticContact CD2-CE2 3.73Å; Y1107-Y1111 HydrophobicContact CD2-CE2 3.73Å; Y1107-Y1111 HydrophobicContact CE1-CD2 4.48Å; Y1107-Y1111 HydrophobicContact CE1-CG 4.46Å; Y1107-Y1111 HydrophobicContact CE2-CD1 4.36Å; Y1107-Y1111 AromaticContact CE2-CD2 3.63Å; Y1107-Y1111 HydrophobicContact CE2-CD2 3.63Å; Y1107-Y1111 HydrophobicContact CE2-CE1 4.1Å; Y1107-Y1111 AromaticContact CE2-CE2 3.36Å; Y1107-Y1111 HydrophobicContact CE2-CE2 3.36Å; Y1107-Y1111 HydrophobicContact CE2-CG 4.15Å; Y1107-Y1111 AromaticContact CE2-CZ 3.61Å; Y1107-Y1111 HydrophobicContact CG-CD2 4.4Å; Y1107-Y1111 AromaticContact CZ-CD2 3.94Å; Y1107-Y1111 AromaticContact CZ-CG 3.99Å; Y1107-Y1111 WeakPolarHBondContact O-CD2 3.34Å; Y1107-Y1111 PolarHBondContact O-N 2.74Å; Y1107-Y1111 VanDerWaalsContact O-N 3.14Å; Y1107-W1127 HydrophobicContact CE2-CZ2 4.05Å; Y1107-L1133 HydrophobicContact CD2-CD1 4.14Å; Y1107-L1133 HydrophobicContact CG-CD1 4.49Å |
| 1108 | M | 94 | Very high | 81.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | -176 | -67.2 | -61.1 | -78.9 | 0 | 0 | 112.9 | V996 F998 A1001 W1005 S1104 A1105 R1112 | V996-M1108 HydrophobicContact CG1-CE 3.84Å; V996-M1108 HydrophobicContact CG1-SD 3.48Å; V996-M1108 WeakPolarHBondContact CG1-SD 3.18Å; F998-M1108 HydrophobicContact CD1-CE 4.32Å; F998-M1108 HydrophobicContact CE1-CE 4.36Å; A1001-M1108 HydrophobicContact CB-CE 4Å; A1001-M1108 HydrophobicContact CB-SD 4.11Å; W1005-M1108 HydrophobicContact CD2-CB 4.37Å; W1005-M1108 HydrophobicContact CD2-CG 4.06Å; W1005-M1108 HydrophobicContact CE3-CB 3.82Å; W1005-M1108 HydrophobicContact CE3-CG 4.02Å; W1005-M1108 HydrophobicContact CH2-CB 3.85Å; W1005-M1108 HydrophobicContact CH2-CE 3.94Å; W1005-M1108 HydrophobicContact CH2-CG 4.14Å; W1005-M1108 HydrophobicContact CZ2-CB 4.4Å; W1005-M1108 HydrophobicContact CZ2-CE 3.62Å; W1005-M1108 HydrophobicContact CZ2-CG 4.18Å; W1005-M1108 HydrophobicContact CZ3-CB 3.53Å; W1005-M1108 HydrophobicContact CZ3-CG 4.06Å; S1104-M1108 WeakPolarHBondContact O-CB 3.46Å; S1104-M1108 WeakPolarHBondContact O-CG 3.34Å; S1104-M1108 PolarHBondContact O-N 3.36Å; A1105-M1108 PolarHBondContact O-N 2.95Å; M1108-R1112 VanDerWaalsContact CE-NH2 3.26Å; M1108-R1112 WeakPolarHBondContact O-CB 3.4Å; M1108-R1112 WeakPolarHBondContact O-CD 3.48Å; M1108-R1112 WeakPolarHBondContact O-CG 3.45Å; M1108-R1112 PolarHBondContact O-N 2.65Å; M1108-R1112 VanDerWaalsContact O-N 3.16Å |
| 1109 | V | 92 | Very high | 79.1 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.3 | -45.2 | 176.4 | 164.5 | 0 | 0 | 0 | 0 | 111.2 | A1012 A1013 Y1016 A1105 Y1107 Y1111 R1112 D1113 | A1012-V1109 HydrophobicContact CB-CB 4.45Å; A1012-V1109 HydrophobicContact CB-CG2 3.89Å; A1013-V1109 HydrophobicContact CB-CG1 4.27Å; Y1016-V1109 HydrophobicContact CD1-CG1 3.9Å; Y1016-V1109 HydrophobicContact CG-CG1 3.97Å; A1105-V1109 WeakPolarHBondContact O-CB 3.5Å; A1105-V1109 VanDerWaalsContact O-CG2 3.3Å; A1105-V1109 WeakPolarHBondContact O-CG2 3.25Å; A1105-V1109 PolarHBondContact O-N 2.9Å; Y1107-V1109 VanDerWaalsContact C-N 3.33Å; Y1107-V1109 PolarHBondContact O-N 3.34Å; V1109-Y1111 VanDerWaalsContact C-N 3.35Å; V1109-Y1111 PolarHBondContact O-N 2.77Å; V1109-R1112 PolarHBondContact O-N 2.72Å; V1109-D1113 PolarHBondContact O-N 2.78Å |
| 1110 | A | 90.2 | Very high | 77.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1016 W1106 Y1107 F1125 | Y1016-A1110 HydrophobicContact CD2-CB 4.34Å; Y1016-A1110 HydrophobicContact CE2-CB 4.02Å; W1106-A1110 PolarHBondContact O-N 2.78Å; Y1107-A1110 PolarHBondContact O-N 3.13Å; A1110-F1125 HydrophobicContact CB-CB 4.28Å; A1110-F1125 HydrophobicContact CB-CD1 4.35Å |
| 1111 | Y | 88.4 | Confident | 76.3 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -87.7 | -14.1 | -176.9 | -77.4 | -112.4 | 0 | 0 | 0 | 114.2 | E724 Y1107 V1109 F1123 W1127 | E724-Y1111 WeakPolarHBondContact OE1-CE1 3.2Å; E724-Y1111 PolarHBondContact OE1-OH 3.11Å; Y1107-Y1111 AromaticContact CD2-CD2 3.88Å; Y1107-Y1111 HydrophobicContact CD2-CD2 3.88Å; Y1107-Y1111 AromaticContact CD2-CE2 3.73Å; Y1107-Y1111 HydrophobicContact CD2-CE2 3.73Å; Y1107-Y1111 HydrophobicContact CE1-CD2 4.48Å; Y1107-Y1111 HydrophobicContact CE1-CG 4.46Å; Y1107-Y1111 HydrophobicContact CE2-CD1 4.36Å; Y1107-Y1111 AromaticContact CE2-CD2 3.63Å; Y1107-Y1111 HydrophobicContact CE2-CD2 3.63Å; Y1107-Y1111 HydrophobicContact CE2-CE1 4.1Å; Y1107-Y1111 AromaticContact CE2-CE2 3.36Å; Y1107-Y1111 HydrophobicContact CE2-CE2 3.36Å; Y1107-Y1111 HydrophobicContact CE2-CG 4.15Å; Y1107-Y1111 AromaticContact CE2-CZ 3.61Å; Y1107-Y1111 HydrophobicContact CG-CD2 4.4Å; Y1107-Y1111 AromaticContact CZ-CD2 3.94Å; Y1107-Y1111 AromaticContact CZ-CG 3.99Å; Y1107-Y1111 WeakPolarHBondContact O-CD2 3.34Å; Y1107-Y1111 PolarHBondContact O-N 2.74Å; Y1107-Y1111 VanDerWaalsContact O-N 3.14Å; V1109-Y1111 VanDerWaalsContact C-N 3.35Å; V1109-Y1111 PolarHBondContact O-N 2.77Å; Y1111-F1123 HydrophobicContact CD1-CD1 4.23Å; Y1111-F1123 HydrophobicContact CD1-CE1 4.41Å; Y1111-F1123 HydrophobicContact CD2-CD1 4.1Å; Y1111-F1123 HydrophobicContact CE1-CD1 4.1Å; Y1111-F1123 HydrophobicContact CE2-CB 4.14Å; Y1111-F1123 AromaticContact CE2-CD1 3.93Å; Y1111-F1123 HydrophobicContact CE2-CD1 3.93Å; Y1111-F1123 HydrophobicContact CE2-CG 4.49Å; Y1111-F1123 HydrophobicContact CG-CD1 4.23Å; Y1111-F1123 AromaticContact CZ-CD1 3.92Å; Y1111-W1127 AromaticContact CZ-NE1 3.93Å; Y1111-W1127 PolarHBondContact OH-NE1 3.13Å |
| 1112 | R | 82.7 | Confident | 75.9 | Confident | 119 Ų | 119 | 49 Ų | 49 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -94.2 | -8.2 | 176.2 | -73.8 | 179.3 | 174.3 | -156.9 | 0.3 | 114.2 | V996 M1108 V1109 R1114 | V996-R1112 HydrophobicContact CG2-CG 4.13Å; M1108-R1112 VanDerWaalsContact CE-NH2 3.26Å; M1108-R1112 WeakPolarHBondContact O-CB 3.4Å; M1108-R1112 WeakPolarHBondContact O-CD 3.48Å; M1108-R1112 WeakPolarHBondContact O-CG 3.45Å; M1108-R1112 PolarHBondContact O-N 2.65Å; M1108-R1112 VanDerWaalsContact O-N 3.16Å; V1109-R1112 PolarHBondContact O-N 2.72Å; R1112-R1114 PolarHBondContact O-N 3.44Å |
| 1113 | D | 68.4 | Low | 75.6 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | trans | -57.4 | 114.4 | 174.6 | -174.5 | -6.2 | 0 | 0 | 0 | 108.6 | Y1016 R1020 V1109 T1115 V1116 | Y1016-D1113 HydrophobicContact CE1-CB 4.44Å; Y1016-D1113 PolarHBondContact OH-OD2 2.75Å; R1020-D1113 IonicContact CZ-OD2 2.69Å; R1020-D1113 IonicContact NH1-OD2 2.77Å; R1020-D1113 PolarHBondContact NH1-OD2 2.58Å; V1109-D1113 PolarHBondContact O-N 2.78Å; D1113-T1115 VanDerWaalsContact C-N 3.29Å; D1113-T1115 VanDerWaalsContact OD1-CB 3.3Å; D1113-T1115 WeakPolarHBondContact OD1-CB 3.36Å; D1113-T1115 WeakPolarHBondContact OD1-CG2 3.44Å; D1113-T1115 PolarHBondContact OD1-N 3.35Å; D1113-T1115 PolarHBondContact OD1-OG1 3.15Å; D1113-T1115 PolarHBondContact OD2-OG1 2.98Å; D1113-T1115 VanDerWaalsContact OD2-OG1 3.13Å; D1113-V1116 HydrophobicContact CB-CG2 3.65Å; D1113-V1116 WeakPolarHBondContact O-CB 3.24Å; D1113-V1116 WeakPolarHBondContact O-CG2 3.35Å | ||
| 1114 | R | 51.5 | Low | 75.5 | Confident | 233 Ų | 233 | 49.3 Ų | 49.3 | 88% | 0.879 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -83.7 | -6.8 | 179.4 | -70.8 | -174.6 | 179.1 | -179.5 | -1.1 | 112.5 | R1112 V1116 | R1112-R1114 PolarHBondContact O-N 3.44Å; R1114-V1116 PolarHBondContact O-N 2.9Å; R1114-V1116 VanDerWaalsContact O-N 3.13Å |
| 1115 | T | 49.6 | Very low | 75.4 | Confident | 93 Ų | 93 | 49.3 Ų | 49.3 | 57% | 0.571 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -71.2 | 2.2 | 171 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | R1020 D1113 V1117 | R1020-T1115 PolarHBondContact NH1-OG1 2.93Å; D1113-T1115 VanDerWaalsContact C-N 3.29Å; D1113-T1115 VanDerWaalsContact OD1-CB 3.3Å; D1113-T1115 WeakPolarHBondContact OD1-CB 3.36Å; D1113-T1115 WeakPolarHBondContact OD1-CG2 3.44Å; D1113-T1115 PolarHBondContact OD1-N 3.35Å; D1113-T1115 PolarHBondContact OD1-OG1 3.15Å; D1113-T1115 PolarHBondContact OD2-OG1 2.98Å; D1113-T1115 VanDerWaalsContact OD2-OG1 3.13Å; T1115-V1117 PolarHBondContact O-N 2.8Å |
| 1116 | V | 46.2 | Very low | 75.2 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 16% | 0.158 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -78.4 | -4.9 | -168 | 164.9 | 0 | 0 | 0 | 0 | 115.8 | D1113 R1114 N1118 F1123 | D1113-V1116 HydrophobicContact CB-CG2 3.65Å; D1113-V1116 WeakPolarHBondContact O-CB 3.24Å; D1113-V1116 WeakPolarHBondContact O-CG2 3.35Å; R1114-V1116 PolarHBondContact O-N 2.9Å; R1114-V1116 VanDerWaalsContact O-N 3.13Å; V1116-N1118 PolarHBondContact O-N 2.9Å; V1116-F1123 HydrophobicContact CG1-CE1 3.98Å; V1116-F1123 HydrophobicContact CG1-CE2 4.49Å; V1116-F1123 HydrophobicContact CG1-CZ 3.5Å; V1116-F1123 VanDerWaalsContact CG1-CZ 3.5Å |
| 1117 | V | 39.7 | Very low | 75.2 | Confident | 132 Ų | 132 | 49.6 Ų | 49.6 | 80% | 0.8 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -70.1 | -4.3 | -177.3 | -171.7 | 0 | 0 | 0 | 0 | 113.2 | T1115 | T1115-V1117 PolarHBondContact O-N 2.8Š|
| 1118 | N | 42.6 | Very low | 75.1 | Confident | 130 Ų | 130 | 49.6 Ų | 49.6 | 70% | 0.695 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -131.9 | 168.1 | 177.2 | -73 | -37.4 | 0 | 0 | 0 | 112.7 | V1116 R1120 | V1116-N1118 PolarHBondContact O-N 2.9Å; N1118-R1120 PolarHBondContact O-N 2.82Å |
| 1119 | S | 51.7 | Low | 75.2 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 68% | 0.678 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -47.7 | 10.9 | -171.2 | 58.6 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1120 | R | 60 | Low | 75.2 | Confident | 108 Ų | 108 | 50.7 Ų | 50.7 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | trans | -114.4 | 23.3 | -177.2 | -68.4 | -170.3 | 173.7 | -172.2 | -1.4 | 115 | N59 E61 R1020 F1024 N1118 | N59-R1120 PolarHBondContact ND2-NH2 3.15Å; N59-R1120 PolarHBondContact OD1-NH1 2.81Å; N59-R1120 PolarHBondContact OD1-NH2 3.24Å; E61-R1120 IonicContact OE2-NH2 3.94Å; R1020-R1120 PolarHBondContact NE-O 2.83Å; R1020-R1120 PolarHBondContact NH2-O 2.85Å; F1024-R1120 HydrophobicContact CE1-CB 4.1Å; F1024-R1120 HydrophobicContact CE1-CG 4Å; F1024-R1120 HydrophobicContact CE2-CB 4.35Å; F1024-R1120 VanDerWaalsContact CE2-O 3.28Å; F1024-R1120 WeakPolarHBondContact CE2-O 3.35Å; F1024-R1120 HydrophobicContact CZ-CB 3.87Å; F1024-R1120 HydrophobicContact CZ-CG 4.29Å; F1024-R1120 VanDerWaalsContact CZ-O 3.3Å; F1024-R1120 WeakPolarHBondContact CZ-O 3.36Å; N1118-R1120 PolarHBondContact O-N 2.82Å | ||
| 1121 | S | 71.6 | Confident | 75.4 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | trans | -72.5 | 152.2 | 172.6 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | F1024 F1123 | F1024-S1121 WeakPolarHBondContact CZ-O 3.48Å; S1121-F1123 VanDerWaalsContact CB-CE2 3.48Å; S1121-F1123 WeakPolarHBondContact OG-CD2 3.24Å; S1121-F1123 WeakPolarHBondContact OG-CE2 3.31Å | ||
| 1122 | A | 87.7 | Confident | 75.7 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | trans | -129.7 | 57.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1016 Y1019 R1020 E1035 S1124 F1125 | Y1016-A1122 HydrophobicContact CE2-CB 3.8Å; Y1019-A1122 HydrophobicContact CD1-CB 4.34Å; Y1019-A1122 HydrophobicContact CE1-CB 4.22Å; R1020-A1122 HydrophobicContact CB-CB 4.17Å; R1020-A1122 HydrophobicContact CG-CB 3.99Å; E1035-A1122 WeakPolarHBondContact OE1-CA 3.34Å; E1035-A1122 VanDerWaalsContact OE2-C 3.23Å; E1035-A1122 VanDerWaalsContact OE2-CA 3.24Å; E1035-A1122 WeakPolarHBondContact OE2-CA 3.45Å; A1122-S1124 PolarHBondContact O-N 3.28Å; A1122-F1125 WeakPolarHBondContact O-CB 3.46Å; A1122-F1125 PolarHBondContact O-N 3.16Å; A1122-F1125 VanDerWaalsContact O-N 3.13Å | ||
| 1123 | F | 90.3 | Very high | 76.3 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 4% | 0.039 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.8 | -180 | -61.8 | -64.7 | 0 | 0 | 0 | 112.6 | V725 F726 A994 E1035 F1036 Y1111 V1116 S1121 F1125 G1126 | V725-F1123 HydrophobicContact CG1-CE2 4.1Å; V725-F1123 HydrophobicContact CG1-CZ 4.38Å; F726-F1123 HydrophobicContact CB-CB 3.97Å; F726-F1123 HydrophobicContact CD2-CB 4.07Å; F726-F1123 HydrophobicContact CG-CB 4.33Å; A994-F1123 HydrophobicContact CB-CE1 3.94Å; A994-F1123 HydrophobicContact CB-CZ 4.01Å; E1035-F1123 VanDerWaalsContact CD-N 3.31Å; E1035-F1123 VanDerWaalsContact OE1-CD2 3.24Å; E1035-F1123 WeakPolarHBondContact OE1-CD2 3.05Å; E1035-F1123 PolarHBondContact OE1-N 2.9Å; E1035-F1123 PolarHBondContact OE2-N 3.37Å; F1036-F1123 AromaticContact CE1-CD2 3.94Å; F1036-F1123 HydrophobicContact CE1-CD2 3.94Å; F1036-F1123 AromaticContact CZ-CD2 3.93Å; F1036-F1123 HydrophobicContact CZ-CD2 3.93Å; F1036-F1123 HydrophobicContact CZ-CE2 4.17Å; Y1111-F1123 HydrophobicContact CD1-CD1 4.23Å; Y1111-F1123 HydrophobicContact CD1-CE1 4.41Å; Y1111-F1123 HydrophobicContact CD2-CD1 4.1Å; Y1111-F1123 HydrophobicContact CE1-CD1 4.1Å; Y1111-F1123 HydrophobicContact CE2-CB 4.14Å; Y1111-F1123 AromaticContact CE2-CD1 3.93Å; Y1111-F1123 HydrophobicContact CE2-CD1 3.93Å; Y1111-F1123 HydrophobicContact CE2-CG 4.49Å; Y1111-F1123 HydrophobicContact CG-CD1 4.23Å; Y1111-F1123 AromaticContact CZ-CD1 3.92Å; V1116-F1123 HydrophobicContact CG1-CE1 3.98Å; V1116-F1123 HydrophobicContact CG1-CE2 4.49Å; V1116-F1123 HydrophobicContact CG1-CZ 3.5Å; V1116-F1123 VanDerWaalsContact CG1-CZ 3.5Å; S1121-F1123 VanDerWaalsContact CB-CE2 3.48Å; S1121-F1123 WeakPolarHBondContact OG-CD2 3.24Å; S1121-F1123 WeakPolarHBondContact OG-CE2 3.31Å; F1123-F1125 PolarHBondContact O-N 2.64Å; F1123-G1126 PolarHBondContact O-N 2.97Å |
| 1124 | S | 92.8 | Very high | 77.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -50.2 | -27.2 | 173.5 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | Y1019 E1035 F1039 A1122 G1126 W1127 L1128 | Y1019-S1124 WeakPolarHBondContact CE1-OG 3.05Å; Y1019-S1124 VanDerWaalsContact OH-CB 3.28Å; Y1019-S1124 WeakPolarHBondContact OH-CB 3.48Å; Y1019-S1124 PolarHBondContact OH-OG 3.28Å; E1035-S1124 VanDerWaalsContact OE2-CB 3.24Å; E1035-S1124 WeakPolarHBondContact OE2-CB 3.21Å; E1035-S1124 PolarHBondContact OE2-N 2.85Å; E1035-S1124 PolarHBondContact OE2-OG 2.99Å; F1039-S1124 VanDerWaalsContact CZ-CB 3.43Å; A1122-S1124 PolarHBondContact O-N 3.28Å; S1124-G1126 VanDerWaalsContact C-N 3.33Å; S1124-G1126 PolarHBondContact O-N 3.44Å; S1124-W1127 PolarHBondContact O-N 3Å; S1124-W1127 VanDerWaalsContact O-N 3.11Å; S1124-L1128 PolarHBondContact O-N 3.03Å; S1124-L1128 VanDerWaalsContact O-N 3.15Å |
| 1125 | F | 95.2 | Very high | 79.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.3 | -43.4 | 179.4 | -177 | -116.7 | 0 | 0 | 0 | 113.4 | T1015 Y1016 Y1019 F1078 W1106 A1110 A1122 F1123 W1127 L1128 | T1015-F1125 HydrophobicContact CG2-CE2 3.96Å; T1015-F1125 HydrophobicContact CG2-CZ 3.92Å; Y1016-F1125 HydrophobicContact CD2-CB 3.78Å; Y1016-F1125 AromaticContact CD2-CD1 3.57Å; Y1016-F1125 HydrophobicContact CD2-CD1 3.57Å; Y1016-F1125 HydrophobicContact CD2-CD2 4.48Å; Y1016-F1125 HydrophobicContact CD2-CE1 4.26Å; Y1016-F1125 AromaticContact CD2-CG 3.68Å; Y1016-F1125 HydrophobicContact CD2-CG 3.68Å; Y1016-F1125 HydrophobicContact CE2-CB 4.18Å; Y1016-F1125 HydrophobicContact CG-CD1 4.12Å; Y1016-F1125 HydrophobicContact CG-CE1 4.39Å; Y1019-F1125 HydrophobicContact CD1-CB 3.6Å; Y1019-F1125 AromaticContact CD1-CD2 3.55Å; Y1019-F1125 HydrophobicContact CD1-CD2 3.55Å; Y1019-F1125 AromaticContact CD1-CG 3.96Å; Y1019-F1125 HydrophobicContact CD1-CG 3.96Å; Y1019-F1125 HydrophobicContact CD2-CD2 4.22Å; Y1019-F1125 HydrophobicContact CE1-CB 3.67Å; Y1019-F1125 HydrophobicContact CE1-CD2 4.22Å; Y1019-F1125 HydrophobicContact CE1-CG 4.44Å; Y1019-F1125 HydrophobicContact CG-CB 4.44Å; Y1019-F1125 AromaticContact CG-CD2 3.53Å; Y1019-F1125 HydrophobicContact CG-CD2 3.53Å; Y1019-F1125 HydrophobicContact CG-CE2 4.24Å; Y1019-F1125 HydrophobicContact CG-CG 4.38Å; F1078-F1125 HydrophobicContact CD1-CE2 4.47Å; W1106-F1125 HydrophobicContact CB-CD1 4.06Å; W1106-F1125 HydrophobicContact CB-CE1 3.61Å; W1106-F1125 HydrophobicContact CB-CZ 4.18Å; W1106-F1125 AromaticContact CD2-CE1 3.75Å; W1106-F1125 HydrophobicContact CD2-CE1 3.75Å; W1106-F1125 AromaticContact CD2-CE2 3.88Å; W1106-F1125 HydrophobicContact CD2-CE2 3.88Å; W1106-F1125 AromaticContact CD2-CZ 3.33Å; W1106-F1125 HydrophobicContact CD2-CZ 3.33Å; W1106-F1125 AromaticContact CE2-CZ 3.63Å; W1106-F1125 HydrophobicContact CE3-CD2 4.24Å; W1106-F1125 HydrophobicContact CE3-CE1 4.17Å; W1106-F1125 AromaticContact CE3-CE2 3.67Å; W1106-F1125 HydrophobicContact CE3-CE2 3.67Å; W1106-F1125 AromaticContact CE3-CZ 3.63Å; W1106-F1125 HydrophobicContact CE3-CZ 3.63Å; W1106-F1125 HydrophobicContact CG-CD1 4.38Å; W1106-F1125 AromaticContact CG-CE1 3.52Å; W1106-F1125 HydrophobicContact CG-CE1 3.52Å; W1106-F1125 AromaticContact CG-CZ 3.61Å; W1106-F1125 HydrophobicContact CG-CZ 3.61Å; W1106-F1125 HydrophobicContact CH2-CE2 4.23Å; W1106-F1125 HydrophobicContact CH2-CZ 4.42Å; W1106-F1125 HydrophobicContact CZ2-CE2 4.4Å; W1106-F1125 HydrophobicContact CZ2-CZ 4.16Å; W1106-F1125 AromaticContact CZ3-CE2 3.87Å; W1106-F1125 HydrophobicContact CZ3-CE2 3.87Å; W1106-F1125 HydrophobicContact CZ3-CZ 4.18Å; W1106-F1125 WeakPolarHBondContact O-CD1 3.32Å; A1110-F1125 HydrophobicContact CB-CB 4.28Å; A1110-F1125 HydrophobicContact CB-CD1 4.35Å; A1122-F1125 WeakPolarHBondContact O-CB 3.46Å; A1122-F1125 PolarHBondContact O-N 3.16Å; A1122-F1125 VanDerWaalsContact O-N 3.13Å; F1123-F1125 PolarHBondContact O-N 2.64Å; F1125-W1127 VanDerWaalsContact C-N 3.33Å; F1125-L1128 HydrophobicContact CD2-CD1 3.91Å; F1125-L1128 HydrophobicContact CE2-CD1 4.42Å; F1125-L1128 WeakPolarHBondContact O-CB 3.44Å; F1125-L1128 WeakPolarHBondContact O-CG 3.39Å; F1125-L1128 PolarHBondContact O-N 3.44Å |
| 1126 | G | 93.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1123 S1124 L1128 M1129 L1133 | F1123-G1126 PolarHBondContact O-N 2.97Å; S1124-G1126 VanDerWaalsContact C-N 3.33Å; S1124-G1126 PolarHBondContact O-N 3.44Å; G1126-L1128 VanDerWaalsContact C-N 3.25Å; G1126-L1128 PolarHBondContact O-N 3.4Å; G1126-M1129 PolarHBondContact O-N 3.41Å; G1126-L1133 VanDerWaalsContact O-CD1 3.28Å; G1126-L1133 WeakPolarHBondContact O-CD1 3.5Å |
| 1127 | W | 95.1 | Very high | 83.8 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -76.8 | -4.6 | -176.6 | -62.5 | 108.7 | 0 | 0 | 0 | 114.6 | L714 I719 E724 F726 F727 L1000 Y1107 Y1111 S1124 F1125 M1129 W1130 L1133 | L714-W1127 HydrophobicContact CD2-CZ3 4.34Å; I719-W1127 HydrophobicContact CD1-CH2 4.05Å; I719-W1127 HydrophobicContact CD1-CZ3 3.98Å; I719-W1127 HydrophobicContact CG2-CH2 3.74Å; I719-W1127 HydrophobicContact CG2-CZ3 4.33Å; E724-W1127 HydrophobicContact CG-CH2 4.33Å; E724-W1127 HydrophobicContact CG-CZ2 3.58Å; F726-W1127 HydrophobicContact CD1-CB 4.3Å; F726-W1127 AromaticContact CD1-CD1 3.27Å; F726-W1127 AromaticContact CD1-CG 3.82Å; F726-W1127 HydrophobicContact CD1-CG 3.82Å; F726-W1127 AromaticContact CD1-NE1 3.79Å; F726-W1127 HydrophobicContact CE1-CB 4.13Å; F726-W1127 AromaticContact CE1-CD1 3.92Å; F726-W1127 HydrophobicContact CE1-CG 4.14Å; F726-W1127 AromaticContact CG-CD1 3.71Å; F727-W1127 HydrophobicContact CD2-CZ2 4.36Å; F727-W1127 AromaticContact CE2-CD2 3.9Å; F727-W1127 HydrophobicContact CE2-CD2 3.9Å; F727-W1127 AromaticContact CE2-CE2 3.77Å; F727-W1127 AromaticContact CE2-CE3 3.84Å; F727-W1127 HydrophobicContact CE2-CE3 3.84Å; F727-W1127 AromaticContact CE2-CH2 3.59Å; F727-W1127 HydrophobicContact CE2-CH2 3.59Å; F727-W1127 AromaticContact CE2-CZ2 3.64Å; F727-W1127 HydrophobicContact CE2-CZ2 3.64Å; F727-W1127 AromaticContact CE2-CZ3 3.69Å; F727-W1127 HydrophobicContact CE2-CZ3 3.69Å; F727-W1127 AromaticContact CZ-CD2 3.62Å; F727-W1127 HydrophobicContact CZ-CD2 3.62Å; F727-W1127 AromaticContact CZ-CE2 3.96Å; F727-W1127 AromaticContact CZ-CE3 3.54Å; F727-W1127 HydrophobicContact CZ-CE3 3.54Å; F727-W1127 HydrophobicContact CZ-CG 4.23Å; F727-W1127 HydrophobicContact CZ-CH2 4.19Å; F727-W1127 HydrophobicContact CZ-CZ2 4.25Å; F727-W1127 AromaticContact CZ-CZ3 3.84Å; F727-W1127 HydrophobicContact CZ-CZ3 3.84Å; L1000-W1127 HydrophobicContact CD1-CH2 4.45Å; Y1107-W1127 HydrophobicContact CE2-CZ2 4.05Å; Y1111-W1127 AromaticContact CZ-NE1 3.93Å; Y1111-W1127 PolarHBondContact OH-NE1 3.13Å; S1124-W1127 PolarHBondContact O-N 3Å; S1124-W1127 VanDerWaalsContact O-N 3.11Å; F1125-W1127 VanDerWaalsContact C-N 3.33Å; W1127-M1129 PolarHBondContact O-N 3.1Å; W1127-W1130 HydrophobicContact CE3-CB 4.2Å; W1127-W1130 WeakPolarHBondContact O-CB 3.46Å; W1127-W1130 PolarHBondContact O-N 2.81Å; W1127-L1133 HydrophobicContact CE3-CD1 4.04Å; W1127-L1133 HydrophobicContact CZ3-CD1 4.14Å |
| 1128 | L | 94.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.2 | 169 | -61.4 | -179.2 | 0 | 0 | 0 | 112.1 | Y1019 F1039 I1075 F1078 R1079 W1106 S1124 F1125 G1126 | Y1019-L1128 HydrophobicContact CD2-CD1 3.87Å; Y1019-L1128 HydrophobicContact CE2-CD1 3.63Å; Y1019-L1128 HydrophobicContact CE2-CD2 4.09Å; Y1019-L1128 HydrophobicContact CE2-CG 4.32Å; F1039-L1128 HydrophobicContact CZ-CD2 4.5Å; I1075-L1128 HydrophobicContact CB-CD2 4.32Å; I1075-L1128 HydrophobicContact CG1-CD2 3.83Å; I1075-L1128 HydrophobicContact CG2-CD2 4.18Å; F1078-L1128 HydrophobicContact CB-CD1 3.74Å; F1078-L1128 HydrophobicContact CG-CD1 4.25Å; R1079-L1128 WeakPolarHBondContact CD-O 3.24Å; R1079-L1128 WeakPolarHBondContact CG-O 3.48Å; R1079-L1128 PolarHBondContact NH1-O 2.98Å; W1106-L1128 HydrophobicContact CZ3-CB 4.36Å; W1106-L1128 HydrophobicContact CZ3-CD1 4.07Å; S1124-L1128 PolarHBondContact O-N 3.03Å; S1124-L1128 VanDerWaalsContact O-N 3.15Å; F1125-L1128 HydrophobicContact CD2-CD1 3.91Å; F1125-L1128 HydrophobicContact CE2-CD1 4.42Å; F1125-L1128 WeakPolarHBondContact O-CB 3.44Å; F1125-L1128 WeakPolarHBondContact O-CG 3.39Å; F1125-L1128 PolarHBondContact O-N 3.44Å; G1126-L1128 VanDerWaalsContact C-N 3.25Å; G1126-L1128 PolarHBondContact O-N 3.4Å |
| 1129 | M | 94.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 40 | 177.6 | -55.5 | -50.5 | -57.4 | 0 | 0 | 111.5 | R1079 F1082 A1103 W1106 G1126 W1127 D1131 L1132 L1133 | R1079-M1129 HydrophobicContact CB-SD 4.46Å; R1079-M1129 HydrophobicContact CG-SD 3.9Å; F1082-M1129 HydrophobicContact CB-SD 4.1Å; F1082-M1129 HydrophobicContact CD1-CE 3.69Å; F1082-M1129 HydrophobicContact CD1-SD 4.2Å; F1082-M1129 HydrophobicContact CD2-CG 3.95Å; F1082-M1129 HydrophobicContact CD2-SD 4.21Å; F1082-M1129 HydrophobicContact CE1-CE 3.96Å; F1082-M1129 HydrophobicContact CE2-CG 4.06Å; F1082-M1129 HydrophobicContact CG-CE 4.06Å; F1082-M1129 HydrophobicContact CG-CG 4.26Å; F1082-M1129 HydrophobicContact CG-SD 3.92Å; F1082-M1129 HydrophobicContact CZ-CG 4.45Å; A1103-M1129 HydrophobicContact CB-CB 4.19Å; W1106-M1129 HydrophobicContact CE3-CG 4.07Å; W1106-M1129 HydrophobicContact CZ3-CG 4.19Å; G1126-M1129 PolarHBondContact O-N 3.41Å; W1127-M1129 PolarHBondContact O-N 3.1Å; M1129-D1131 WeakPolarHBondContact CA-OD1 3.46Å; M1129-D1131 PolarHBondContact O-N 2.99Å; M1129-D1131 VanDerWaalsContact O-N 3.13Å; M1129-L1132 HydrophobicContact CB-CB 4.37Å; M1129-L1132 HydrophobicContact CB-CD1 4.4Å; M1129-L1132 HydrophobicContact CB-CG 4.46Å; M1129-L1132 HydrophobicContact CE-CD1 3.52Å; M1129-L1132 HydrophobicContact CE-CG 3.95Å; M1129-L1132 PolarHBondContact O-N 2.86Å; M1129-L1133 PolarHBondContact O-N 3.3Å |
| 1130 | W | 93.8 | Very high | 90 | Very high | 48 Ų | 48 | 28 Ų | 28 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -52.2 | -34.3 | -177.6 | 64.8 | -95.6 | 0 | 0 | 0 | 113.3 | G708 I709 N710 L714 W1127 L1133 A1134 | G708-W1130 VanDerWaalsContact O-CZ2 3.25Å; G708-W1130 WeakPolarHBondContact O-CZ2 3.47Å; I709-W1130 HydrophobicContact CG1-CG 4.47Å; I709-W1130 HydrophobicContact CG2-CD2 4.3Å; I709-W1130 HydrophobicContact CG2-CG 4.2Å; N710-W1130 HydrophobicContact CB-CH2 3.49Å; N710-W1130 VanDerWaalsContact CB-CH2 3.49Å; N710-W1130 HydrophobicContact CB-CZ2 4.35Å; N710-W1130 HydrophobicContact CB-CZ3 3.59Å; L714-W1130 HydrophobicContact CD1-CB 4.44Å; L714-W1130 HydrophobicContact CD2-CB 4.39Å; L714-W1130 HydrophobicContact CD2-CE3 4.24Å; L714-W1130 HydrophobicContact CG-CE3 4.35Å; W1127-W1130 HydrophobicContact CE3-CB 4.2Å; W1127-W1130 WeakPolarHBondContact O-CB 3.46Å; W1127-W1130 PolarHBondContact O-N 2.81Å; W1130-L1133 PolarHBondContact O-N 3.07Å; W1130-A1134 WeakPolarHBondContact O-CB 3.35Å; W1130-A1134 PolarHBondContact O-N 2.87Å |
| 1131 | D | 93.7 | Very high | 90.5 | Very high | 37 Ų | 37 | 30 Ų | 30 | 20% | 0.198 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 177.8 | 48.7 | -22.7 | 0 | 0 | 0 | 111.8 | R1079 M1129 A1134 V1135 | R1079-D1131 IonicContact CZ-OD1 2.66Å; R1079-D1131 IonicContact CZ-OD2 2.95Å; R1079-D1131 IonicContact NH1-OD1 3.81Å; R1079-D1131 PolarHBondContact NH1-OD1 3.46Å; R1079-D1131 IonicContact NH1-OD2 3.19Å; R1079-D1131 PolarHBondContact NH1-OD2 2.95Å; R1079-D1131 IonicContact NH2-OD1 2.92Å; R1079-D1131 IonicContact NH2-OD2 2.64Å; R1079-D1131 PolarHBondContact NH2-OD2 3.49Å; M1129-D1131 WeakPolarHBondContact CA-OD1 3.46Å; M1129-D1131 PolarHBondContact O-N 2.99Å; M1129-D1131 VanDerWaalsContact O-N 3.13Å; D1131-A1134 WeakPolarHBondContact O-CB 3.5Å; D1131-A1134 PolarHBondContact O-N 3.32Å; D1131-V1135 PolarHBondContact O-N 2.88Å |
| 1132 | L | 95.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.5 | -36.6 | 175.9 | -57 | -172.5 | 0 | 0 | 0 | 112.1 | F1082 L1093 A1094 L1100 A1103 M1129 A1134 V1135 I1136 | F1082-L1132 HydrophobicContact CD1-CD1 4.36Å; F1082-L1132 HydrophobicContact CE1-CD1 3.44Å; F1082-L1132 VanDerWaalsContact CE1-CD1 3.44Å; F1082-L1132 HydrophobicContact CZ-CD1 3.7Å; L1093-L1132 HydrophobicContact CB-CD1 4.32Å; L1093-L1132 HydrophobicContact CB-CD2 3.91Å; A1094-L1132 HydrophobicContact CB-CD2 4.24Å; L1100-L1132 HydrophobicContact CD2-CB 4.04Å; L1100-L1132 HydrophobicContact CD2-CD2 4.24Å; A1103-L1132 HydrophobicContact CB-CB 3.76Å; A1103-L1132 HydrophobicContact CB-CD1 3.98Å; M1129-L1132 HydrophobicContact CB-CB 4.37Å; M1129-L1132 HydrophobicContact CB-CD1 4.4Å; M1129-L1132 HydrophobicContact CB-CG 4.46Å; M1129-L1132 HydrophobicContact CE-CD1 3.52Å; M1129-L1132 HydrophobicContact CE-CG 3.95Å; M1129-L1132 PolarHBondContact O-N 2.86Å; L1132-A1134 VanDerWaalsContact C-N 3.28Å; L1132-A1134 PolarHBondContact O-N 2.91Å; L1132-V1135 PolarHBondContact O-N 3.36Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.42Å; L1132-I1136 PolarHBondContact O-N 3.33Å; L1132-I1136 VanDerWaalsContact O-N 3.08Å |
| 1133 | L | 95.3 | Very high | 89 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -35.5 | 174.6 | -66.8 | -178.4 | 0 | 0 | 0 | 111.8 | L1000 Y1107 G1126 W1127 M1129 W1130 I1136 K1137 | L1000-L1133 HydrophobicContact CD2-CB 4.24Å; Y1107-L1133 HydrophobicContact CD2-CD1 4.14Å; Y1107-L1133 HydrophobicContact CG-CD1 4.49Å; G1126-L1133 VanDerWaalsContact O-CD1 3.28Å; G1126-L1133 WeakPolarHBondContact O-CD1 3.5Å; W1127-L1133 HydrophobicContact CE3-CD1 4.04Å; W1127-L1133 HydrophobicContact CZ3-CD1 4.14Å; M1129-L1133 PolarHBondContact O-N 3.3Å; W1130-L1133 PolarHBondContact O-N 3.07Å; L1133-I1136 HydrophobicContact CD2-CD1 4.18Å; L1133-I1136 PolarHBondContact O-N 2.98Å; L1133-K1137 PolarHBondContact O-N 3.41Å |
| 1134 | A | 93.2 | Very high | 87.4 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 5% | 0.05 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L714 V717 W1130 D1131 L1132 I1136 K1137 E1138 | L714-A1134 HydrophobicContact CD2-CB 3.97Å; V717-A1134 HydrophobicContact CG2-CB 4.12Å; W1130-A1134 WeakPolarHBondContact O-CB 3.35Å; W1130-A1134 PolarHBondContact O-N 2.87Å; D1131-A1134 WeakPolarHBondContact O-CB 3.5Å; D1131-A1134 PolarHBondContact O-N 3.32Å; L1132-A1134 VanDerWaalsContact C-N 3.28Å; L1132-A1134 PolarHBondContact O-N 2.91Å; A1134-I1136 VanDerWaalsContact C-N 3.34Å; A1134-I1136 PolarHBondContact O-N 3.41Å; A1134-K1137 PolarHBondContact O-N 2.74Å; A1134-E1138 WeakPolarHBondContact O-CB 3.45Å; A1134-E1138 PolarHBondContact O-N 3.14Å |
| 1135 | V | 93.5 | Very high | 85.8 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | A1094 L1100 D1131 L1132 K1137 E1138 R1139 | A1094-V1135 HydrophobicContact CB-CG2 4.12Å; L1100-V1135 HydrophobicContact CD1-CG1 4.13Å; L1100-V1135 HydrophobicContact CD2-CB 4.22Å; L1100-V1135 HydrophobicContact CD2-CG1 4.12Å; D1131-V1135 PolarHBondContact O-N 2.88Å; L1132-V1135 PolarHBondContact O-N 3.36Å; V1135-K1137 PolarHBondContact O-N 2.89Å; V1135-E1138 PolarHBondContact O-N 3.04Å; V1135-R1139 VanDerWaalsContact O-CG 3.31Å; V1135-R1139 WeakPolarHBondContact O-CG 3.19Å; V1135-R1139 PolarHBondContact O-N 2.92Å; V1135-R1139 VanDerWaalsContact O-N 3.08Å |
| 1136 | I | 94 | Very high | 84.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 176.4 | -70.8 | 166.2 | 0 | 0 | 0 | 111 | L1000 Y1002 L1100 A1103 L1132 L1133 A1134 E1138 R1139 | L1000-I1136 HydrophobicContact CD2-CG2 4.42Å; Y1002-I1136 HydrophobicContact CD1-CG1 4.4Å; Y1002-I1136 HydrophobicContact CD2-CG1 4.31Å; Y1002-I1136 HydrophobicContact CD2-CG2 4.02Å; Y1002-I1136 HydrophobicContact CG-CD1 4.43Å; Y1002-I1136 HydrophobicContact CG-CG1 3.97Å; Y1002-I1136 HydrophobicContact CG-CG2 4.09Å; L1100-I1136 HydrophobicContact CB-CD1 4.22Å; L1100-I1136 HydrophobicContact CB-CG1 4.05Å; L1100-I1136 HydrophobicContact CD2-CG1 4.17Å; L1100-I1136 VanDerWaalsContact O-CD1 3.24Å; L1100-I1136 WeakPolarHBondContact O-CD1 3.43Å; A1103-I1136 HydrophobicContact CB-CD1 4.49Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.42Å; L1132-I1136 PolarHBondContact O-N 3.33Å; L1132-I1136 VanDerWaalsContact O-N 3.08Å; L1133-I1136 HydrophobicContact CD2-CD1 4.18Å; L1133-I1136 PolarHBondContact O-N 2.98Å; A1134-I1136 VanDerWaalsContact C-N 3.34Å; A1134-I1136 PolarHBondContact O-N 3.41Å; I1136-E1138 VanDerWaalsContact C-N 3.32Å; I1136-E1138 PolarHBondContact O-N 2.83Å; I1136-R1139 PolarHBondContact O-N 2.97Å |
| 1137 | K | 92.3 | Very high | 82.9 | Confident | 10 Ų | 10 | 60 Ų | 60 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | -179.4 | -167.7 | 72.4 | 174.7 | -176.6 | 0 | 111.4 | V717 I719 D997 D999 L1000 L1133 A1134 V1135 R1140 N1143 | V717-K1137 HydrophobicContact CB-CB 4.42Å; V717-K1137 HydrophobicContact CB-CG 4.49Å; V717-K1137 HydrophobicContact CG2-CB 4.17Å; V717-K1137 HydrophobicContact CG2-CG 4.33Å; V717-K1137 WeakPolarHBondContact O-CG 3.44Å; I719-K1137 HydrophobicContact CG1-CG 4.14Å; D997-K1137 IonicContact OD1-NZ 2.71Å; D997-K1137 PolarHBondContact OD1-NZ 3.13Å; D997-K1137 IonicContact OD2-NZ 3.73Å; D997-K1137 PolarHBondContact OD2-NZ 3.45Å; D999-K1137 HydrophobicContact CB-CD 3.74Å; D999-K1137 VanDerWaalsContact CB-NZ 3.33Å; D999-K1137 IonicContact OD2-NZ 2.6Å; D999-K1137 PolarHBondContact OD2-NZ 3.16Å; L1000-K1137 HydrophobicContact CD2-CB 3.96Å; L1000-K1137 HydrophobicContact CD2-CD 4.16Å; L1133-K1137 PolarHBondContact O-N 3.41Å; A1134-K1137 PolarHBondContact O-N 2.74Å; V1135-K1137 PolarHBondContact O-N 2.89Å; K1137-R1140 PolarHBondContact O-N 2.95Å; K1137-N1143 PolarHBondContact O-ND2 3.3Å; K1137-N1143 VanDerWaalsContact O-ND2 3.1Å |
| 1138 | E | 90.2 | Very high | 82 | Confident | 118 Ų | 118 | 61.8 Ų | 61.8 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.4 | -39.6 | 176 | -173.6 | 176.1 | -157.4 | 0 | 0 | 112.7 | V717 A1134 V1135 I1136 R1140 | V717-E1138 HydrophobicContact CB-CB 4.49Å; V717-E1138 HydrophobicContact CG1-CB 4Å; A1134-E1138 WeakPolarHBondContact O-CB 3.45Å; A1134-E1138 PolarHBondContact O-N 3.14Å; V1135-E1138 PolarHBondContact O-N 3.04Å; I1136-E1138 VanDerWaalsContact C-N 3.32Å; I1136-E1138 PolarHBondContact O-N 2.83Å; E1138-R1140 PolarHBondContact O-N 2.84Å |
| 1139 | R | 89.8 | Confident | 81.6 | Confident | 98 Ų | 98 | 62.4 Ų | 62.4 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -7.3 | -179.9 | -70.8 | 174.1 | -177.6 | -155 | 3.4 | 114.3 | Y1002 A1094 E1097 L1100 V1135 I1136 V1141 | Y1002-R1139 PolarHBondContact OH-NH1 2.91Å; A1094-R1139 PolarHBondContact O-NH2 2.91Å; E1097-R1139 IonicContact OE1-CZ 3.49Å; E1097-R1139 IonicContact OE1-NH1 3.59Å; E1097-R1139 PolarHBondContact OE1-NH1 2.74Å; E1097-R1139 IonicContact OE1-NH2 3.64Å; E1097-R1139 IonicContact OE2-NH1 3.18Å; L1100-R1139 VanDerWaalsContact CD1-NH1 3.27Å; V1135-R1139 VanDerWaalsContact O-CG 3.31Å; V1135-R1139 WeakPolarHBondContact O-CG 3.19Å; V1135-R1139 PolarHBondContact O-N 2.92Å; V1135-R1139 VanDerWaalsContact O-N 3.08Å; I1136-R1139 PolarHBondContact O-N 2.97Å; R1139-V1141 PolarHBondContact O-N 2.99Å |
| 1140 | R | 84.6 | Confident | 81.2 | Confident | 93 Ų | 93 | 64 Ų | 64 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | trans | -80.1 | 117.8 | 179.3 | -72.3 | -61.8 | -157 | 174.7 | 12.7 | 111.7 | F998 D999 A1001 K1137 E1138 K1142 N1143 | F998-R1140 PolarHBondContact O-NH2 2.93Å; D999-R1140 HydrophobicContact CB-CG 4.13Å; D999-R1140 PolarHBondContact O-NE 3.11Å; A1001-R1140 PolarHBondContact O-NH2 3.44Å; K1137-R1140 PolarHBondContact O-N 2.95Å; E1138-R1140 PolarHBondContact O-N 2.84Å; R1140-K1142 PolarHBondContact O-N 3.39Å; R1140-K1142 VanDerWaalsContact O-N 3.14Å; R1140-N1143 WeakPolarHBondContact O-CB 3.29Å; R1140-N1143 PolarHBondContact O-N 3.06Å | ||
| 1141 | V | 68.7 | Low | 81 | Confident | 151 Ų | 151 | 61.8 Ų | 61.8 | 92% | 0.915 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.6 | -179.8 | -176.2 | 0 | 0 | 0 | 0 | 113.5 | R1139 | R1139-V1141 PolarHBondContact O-N 2.99Š|
| 1142 | K | 66.7 | Low | 80.9 | Confident | 190 Ų | 190 | 60.4 Ų | 60.4 | 83% | 0.826 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.7 | -175.6 | -71.7 | -170.1 | 177.7 | -176.8 | 0 | 114.7 | R1140 P1144 | R1140-K1142 PolarHBondContact O-N 3.39Å; R1140-K1142 VanDerWaalsContact O-N 3.14Å; K1142-P1144 WeakPolarHBondContact O-CD 3.49Å |
| 1143 | N | 61.3 | Low | 80.6 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | trans | -72.4 | 111.4 | -173.8 | -165 | 0.5 | 0 | 0 | 0 | 110.9 | V717 K1137 R1140 K1145 | V717-N1143 PolarHBondContact O-ND2 3.04Å; K1137-N1143 PolarHBondContact O-ND2 3.3Å; K1137-N1143 VanDerWaalsContact O-ND2 3.1Å; R1140-N1143 WeakPolarHBondContact O-CB 3.29Å; R1140-N1143 PolarHBondContact O-N 3.06Å; N1143-K1145 PolarHBondContact O-N 2.83Å | ||
| 1144 | P | 57.9 | Low | 80.4 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | trans | -69.4 | 99 | 177 | 28.8 | -30.7 | 0 | 0 | 0 | 108.6 | K1142 A1146 | K1142-P1144 WeakPolarHBondContact O-CD 3.49Å; P1144-A1146 PolarHBondContact O-N 2.87Å; P1144-A1146 VanDerWaalsContact O-N 3.09Å | ||
| 1145 | K | 58.5 | Low | 80.3 | Confident | 168 Ų | 168 | 65.1 Ų | 65.1 | 73% | 0.73 | 34% | 0.342 | S | S | * | . | trans | -64.7 | -6.3 | 174.4 | -66.5 | -170.4 | 176.7 | -171.2 | 0 | 113.4 | N1143 | N1143-K1145 PolarHBondContact O-N 2.83Š| ||
| 1146 | A | 62.3 | Low | 80.3 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 50% | 0.504 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -60.3 | 138.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R720 P1144 C1148 | R720-A1146 PolarHBondContact NH2-O 2.95Å; P1144-A1146 PolarHBondContact O-N 2.87Å; P1144-A1146 VanDerWaalsContact O-N 3.09Å; A1146-C1148 PolarHBondContact O-N 2.9Å |
| 1147 | P | 66.1 | Low | 80.2 | Confident | 132 Ų | 132 | 69.7 Ų | 69.7 | 86% | 0.857 | 36% | 0.362 | S | S | * | . | trans | -61 | 108.4 | 168.4 | 23.6 | -29.4 | 0 | 0 | 0 | 108.1 | ||||
| 1148 | C | 74.9 | Confident | 80.1 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 30% | 0.297 | 36% | 0.364 | S | S | . | . | trans | -119.9 | 136.5 | -178.8 | 159.3 | 0 | 0 | 0 | 0 | 107.1 | A1146 D1153 | A1146-C1148 PolarHBondContact O-N 2.9Å; C1148-D1153 PolarHBondContact SG-OD2 3.39Å | ||
| 1149 | N | 86.4 | Confident | 80.1 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | trans | -118.8 | 94.7 | 176.7 | 179.3 | -16.9 | 0 | 0 | 0 | 107.7 | L692 L693 V1151 M1152 D1153 | L692-N1149 VanDerWaalsContact O-CG 3.26Å; L692-N1149 PolarHBondContact O-ND2 3.44Å; L692-N1149 PolarHBondContact O-OD1 3.06Å; L693-N1149 WeakPolarHBondContact CA-ND2 3.45Å; L693-N1149 WeakPolarHBondContact CD2-ND2 3.5Å; N1149-V1151 PolarHBondContact O-N 2.98Å; N1149-V1151 PolarHBondContact OD1-N 3.32Å; N1149-M1152 HydrophobicContact CB-CB 4Å; N1149-M1152 HydrophobicContact CB-CG 4.34Å; N1149-M1152 WeakPolarHBondContact ND2-CG 3.36Å; N1149-M1152 PolarHBondContact O-N 3.28Å; N1149-M1152 PolarHBondContact OD1-N 2.89Å; N1149-D1153 PolarHBondContact N-OD2 2.87Å; N1149-D1153 WeakPolarHBondContact O-CB 3.3Å; N1149-D1153 PolarHBondContact O-N 2.69Å | ||
| 1150 | P | 87.3 | Confident | 80.1 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 22% | 0.221 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.3 | -33.2 | -171.1 | -26.9 | 34.2 | 0 | 0 | 0 | 114.1 | R720 N723 H1154 | R720-P1150 HydrophobicContact CB-CG 4.14Å; R720-P1150 HydrophobicContact CG-CG 4.07Å; N723-P1150 HydrophobicContact CB-CB 4.47Å; N723-P1150 HydrophobicContact CB-CG 4.45Å; P1150-H1154 WeakPolarHBondContact O-CB 3.1Å; P1150-H1154 PolarHBondContact O-N 2.83Å; P1150-H1154 VanDerWaalsContact O-N 3.09Å |
| 1151 | V | 89 | Confident | 80.2 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.018 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.8 | -43 | 179.9 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | L692 N1149 H1154 L1155 F1303 | L692-V1151 HydrophobicContact CD2-CG1 3.73Å; N1149-V1151 PolarHBondContact O-N 2.98Å; N1149-V1151 PolarHBondContact OD1-N 3.32Å; V1151-H1154 PolarHBondContact O-N 2.71Å; V1151-L1155 PolarHBondContact O-N 3.17Å; V1151-L1155 VanDerWaalsContact O-N 3.17Å; V1151-F1303 HydrophobicContact CG1-CE2 4.41Å; V1151-F1303 HydrophobicContact CG1-CZ 3.86Å; V1151-F1303 WeakPolarHBondContact O-CE2 3.34Å |
| 1152 | M | 90.8 | Very high | 80.9 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.4 | -33.8 | 175.4 | -70.7 | -64.5 | -155.8 | 0 | 0 | 112.8 | L693 N1149 H1154 L1155 E1156 Q1255 M1258 | L693-M1152 HydrophobicContact CD2-CE 3.49Å; L693-M1152 VanDerWaalsContact CD2-CE 3.49Å; L693-M1152 HydrophobicContact CD2-CG 4Å; N1149-M1152 HydrophobicContact CB-CB 4Å; N1149-M1152 HydrophobicContact CB-CG 4.34Å; N1149-M1152 WeakPolarHBondContact ND2-CG 3.36Å; N1149-M1152 PolarHBondContact O-N 3.28Å; N1149-M1152 PolarHBondContact OD1-N 2.89Å; M1152-H1154 VanDerWaalsContact C-N 3.33Å; M1152-L1155 WeakPolarHBondContact O-CB 3.48Å; M1152-L1155 PolarHBondContact O-N 3.12Å; M1152-L1155 HydrophobicContact SD-CD2 4.32Å; M1152-E1156 PolarHBondContact O-N 3.12Å; M1152-Q1255 HydrophobicContact CB-CG 4.37Å; M1152-Q1255 HydrophobicContact CE-CG 4.05Å; M1152-Q1255 HydrophobicContact CG-CG 4.11Å; M1152-Q1255 HydrophobicContact SD-CG 4.12Å; M1152-M1258 HydrophobicContact CE-CB 3.79Å; M1152-M1258 HydrophobicContact CE-CG 3.81Å; M1152-M1258 HydrophobicContact SD-CG 4.01Å |
| 1153 | D | 90.1 | Very high | 81.2 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -37 | 176.1 | -62.1 | -25.3 | 0 | 0 | 0 | 110.7 | C1148 N1149 E1156 Q1157 | C1148-D1153 PolarHBondContact SG-OD2 3.39Å; N1149-D1153 PolarHBondContact N-OD2 2.87Å; N1149-D1153 WeakPolarHBondContact O-CB 3.3Å; N1149-D1153 PolarHBondContact O-N 2.69Å; D1153-E1156 WeakPolarHBondContact O-CB 3.38Å; D1153-E1156 PolarHBondContact O-N 2.76Å; D1153-Q1157 VanDerWaalsContact O-CG 3.29Å; D1153-Q1157 WeakPolarHBondContact O-CG 3.43Å; D1153-Q1157 PolarHBondContact O-N 2.88Å |
| 1154 | H | 90.3 | Very high | 81.4 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 170 | -180 | 57.7 | 0 | 0 | 0 | 111.5 | P1150 V1151 M1152 E1156 Q1157 L1158 F1303 E1309 | P1150-H1154 WeakPolarHBondContact O-CB 3.1Å; P1150-H1154 PolarHBondContact O-N 2.83Å; P1150-H1154 VanDerWaalsContact O-N 3.09Å; V1151-H1154 PolarHBondContact O-N 2.71Å; M1152-H1154 VanDerWaalsContact C-N 3.33Å; H1154-E1156 VanDerWaalsContact C-N 3.33Å; H1154-E1156 PolarHBondContact O-N 2.83Å; H1154-Q1157 PolarHBondContact O-N 3.31Å; H1154-L1158 WeakPolarHBondContact O-CG 3.31Å; H1154-L1158 PolarHBondContact O-N 2.84Å; H1154-F1303 AromaticContact CD2-CD2 3.76Å; H1154-F1303 AromaticContact CD2-CE2 3.73Å; H1154-E1309 IonicContact CE1-OE2 3Å; H1154-E1309 IonicContact NE2-OE1 2.71Å; H1154-E1309 PolarHBondContact NE2-OE1 3.33Å; H1154-E1309 IonicContact NE2-OE2 2.64Å; H1154-E1309 PolarHBondContact NE2-OE2 3.22Å; H1154-E1309 VanDerWaalsContact NE2-OE2 3.14Å |
| 1155 | L | 92.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.2 | -177.6 | 51.9 | 0 | 0 | 0 | 111.9 | V1151 M1152 Q1157 L1158 I1159 G1254 L1257 M1258 F1303 L1308 | V1151-L1155 PolarHBondContact O-N 3.17Å; V1151-L1155 VanDerWaalsContact O-N 3.17Å; M1152-L1155 WeakPolarHBondContact O-CB 3.48Å; M1152-L1155 PolarHBondContact O-N 3.12Å; M1152-L1155 HydrophobicContact SD-CD2 4.32Å; L1155-Q1157 VanDerWaalsContact C-N 3.32Å; L1155-Q1157 PolarHBondContact O-N 3.39Å; L1155-L1158 PolarHBondContact O-N 3.48Å; L1155-I1159 HydrophobicContact CD1-CD1 4.03Å; L1155-I1159 HydrophobicContact CD1-CG1 4.16Å; L1155-I1159 HydrophobicContact CG-CD1 3.94Å; L1155-I1159 HydrophobicContact CG-CG1 4.49Å; L1155-I1159 WeakPolarHBondContact O-CG1 3.3Å; L1155-I1159 PolarHBondContact O-N 3.26Å; L1155-G1254 VanDerWaalsContact CD2-CA 3.43Å; L1155-G1254 WeakPolarHBondContact CD2-O 3.33Å; L1155-L1257 HydrophobicContact CD1-CD2 4.3Å; L1155-L1257 HydrophobicContact CD2-CD2 4.45Å; L1155-M1258 HydrophobicContact CD2-CG 3.7Å; L1155-M1258 HydrophobicContact CD2-SD 4.23Å; L1155-F1303 HydrophobicContact CB-CD2 4.05Å; L1155-F1303 HydrophobicContact CB-CE1 4.09Å; L1155-F1303 HydrophobicContact CB-CE2 3.54Å; L1155-F1303 HydrophobicContact CB-CZ 3.57Å; L1155-F1303 HydrophobicContact CD1-CB 4.14Å; L1155-F1303 HydrophobicContact CD1-CD1 3.76Å; L1155-F1303 HydrophobicContact CD1-CD2 3.95Å; L1155-F1303 HydrophobicContact CD1-CE1 4.1Å; L1155-F1303 HydrophobicContact CD1-CE2 4.27Å; L1155-F1303 HydrophobicContact CD1-CG 3.67Å; L1155-F1303 HydrophobicContact CD1-CZ 4.33Å; L1155-F1303 HydrophobicContact CD2-CD1 4.15Å; L1155-F1303 HydrophobicContact CD2-CE1 3.74Å; L1155-F1303 HydrophobicContact CD2-CZ 4.03Å; L1155-F1303 HydrophobicContact CG-CD1 4.36Å; L1155-F1303 HydrophobicContact CG-CE1 4.18Å; L1155-F1303 HydrophobicContact CG-CE2 4.34Å; L1155-F1303 HydrophobicContact CG-CZ 4.17Å; L1155-L1308 HydrophobicContact CD1-CD1 3.52Å |
| 1156 | E | 92.2 | Very high | 82.5 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 177.6 | -164.9 | 67.1 | -162.2 | 0 | 0 | 111 | M1152 D1153 H1154 L1158 I1159 E1160 S1252 K1253 G1254 | M1152-E1156 PolarHBondContact O-N 3.12Å; D1153-E1156 WeakPolarHBondContact O-CB 3.38Å; D1153-E1156 PolarHBondContact O-N 2.76Å; H1154-E1156 VanDerWaalsContact C-N 3.33Å; H1154-E1156 PolarHBondContact O-N 2.83Å; E1156-L1158 VanDerWaalsContact C-N 3.34Å; E1156-L1158 PolarHBondContact O-N 2.69Å; E1156-I1159 PolarHBondContact O-N 2.81Å; E1156-E1160 WeakPolarHBondContact O-CG 3.47Å; E1156-E1160 PolarHBondContact O-N 3.13Å; E1156-S1252 WeakPolarHBondContact OE2-CB 3.24Å; E1156-S1252 PolarHBondContact OE2-OG 2.81Å; E1156-K1253 WeakPolarHBondContact OE1-CB 3.45Å; E1156-K1253 WeakPolarHBondContact OE1-CE 3.29Å; E1156-K1253 WeakPolarHBondContact OE1-CG 3.21Å; E1156-K1253 PolarHBondContact OE1-N 3.48Å; E1156-K1253 IonicContact OE1-NZ 2.77Å; E1156-K1253 PolarHBondContact OE1-NZ 3.41Å; E1156-K1253 WeakPolarHBondContact OE2-CA 3.31Å; E1156-K1253 PolarHBondContact OE2-N 2.9Å; E1156-G1254 PolarHBondContact OE2-N 3.13Å |
| 1157 | Q | 91.5 | Very high | 83.3 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 177 | -70.5 | 173.8 | 27.4 | 0 | 0 | 112.7 | D1153 H1154 L1155 E1160 K1161 | D1153-Q1157 VanDerWaalsContact O-CG 3.29Å; D1153-Q1157 WeakPolarHBondContact O-CG 3.43Å; D1153-Q1157 PolarHBondContact O-N 2.88Å; H1154-Q1157 PolarHBondContact O-N 3.31Å; L1155-Q1157 VanDerWaalsContact C-N 3.32Å; L1155-Q1157 PolarHBondContact O-N 3.39Å; Q1157-E1160 PolarHBondContact O-N 3.4Å; Q1157-K1161 WeakPolarHBondContact O-CB 3.43Å; Q1157-K1161 WeakPolarHBondContact O-CD 3.29Å; Q1157-K1161 WeakPolarHBondContact O-CG 3.31Å; Q1157-K1161 PolarHBondContact O-N 3.06Å |
| 1158 | L | 91.2 | Very high | 83.9 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 175.7 | -71.4 | 177.6 | 0 | 0 | 0 | 111.8 | H1154 L1155 E1156 K1161 T1162 F1303 L1308 E1309 | H1154-L1158 WeakPolarHBondContact O-CG 3.31Å; H1154-L1158 PolarHBondContact O-N 2.84Å; L1155-L1158 PolarHBondContact O-N 3.48Å; E1156-L1158 VanDerWaalsContact C-N 3.34Å; E1156-L1158 PolarHBondContact O-N 2.69Å; L1158-K1161 PolarHBondContact O-N 2.68Å; L1158-T1162 PolarHBondContact O-N 2.97Å; L1158-T1162 VanDerWaalsContact O-N 3.11Å; L1158-T1162 PolarHBondContact O-OG1 3.35Å; L1158-F1303 HydrophobicContact CD1-CB 3.95Å; L1158-F1303 HydrophobicContact CD1-CD2 3.72Å; L1158-F1303 HydrophobicContact CD1-CG 4.27Å; L1158-L1308 HydrophobicContact CB-CB 4.37Å; L1158-L1308 HydrophobicContact CD1-CB 4.37Å; L1158-E1309 HydrophobicContact CD1-CB 4.25Å; L1158-E1309 HydrophobicContact CD1-CG 4.12Å; L1158-E1309 HydrophobicContact CD2-CB 4.27Å |
| 1159 | I | 91 | Very high | 84 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176 | -67.5 | 171.1 | 0 | 0 | 0 | 109.8 | L1155 E1156 K1161 T1162 H1189 I1193 K1253 L1257 L1308 | L1155-I1159 HydrophobicContact CD1-CD1 4.03Å; L1155-I1159 HydrophobicContact CD1-CG1 4.16Å; L1155-I1159 HydrophobicContact CG-CD1 3.94Å; L1155-I1159 HydrophobicContact CG-CG1 4.49Å; L1155-I1159 WeakPolarHBondContact O-CG1 3.3Å; L1155-I1159 PolarHBondContact O-N 3.26Å; E1156-I1159 PolarHBondContact O-N 2.81Å; I1159-K1161 VanDerWaalsContact C-N 3.34Å; I1159-K1161 PolarHBondContact O-N 3.42Å; I1159-T1162 WeakPolarHBondContact O-CB 3.46Å; I1159-T1162 PolarHBondContact O-N 3.22Å; I1159-H1189 PolarHBondContact O-CE1 3.37Å; I1159-I1193 HydrophobicContact CB-CD1 4.32Å; I1159-I1193 HydrophobicContact CD1-CD1 4.44Å; I1159-I1193 HydrophobicContact CG1-CD1 3.86Å; I1159-I1193 HydrophobicContact CG2-CD1 3.83Å; I1159-K1253 HydrophobicContact CD1-CB 4.03Å; I1159-K1253 HydrophobicContact CG2-CB 3.95Å; I1159-K1253 HydrophobicContact CG2-CD 3.86Å; I1159-L1257 HydrophobicContact CD1-CD2 4.23Å; I1159-L1308 HydrophobicContact CG1-CD1 4Å |
| 1160 | E | 88.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 57.6 Ų | 57.6 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.8 | -35.2 | 177.8 | -72.9 | 178.6 | 174 | 0 | 0 | 113.6 | E1156 Q1157 T1162 K1253 | E1156-E1160 WeakPolarHBondContact O-CG 3.47Å; E1156-E1160 PolarHBondContact O-N 3.13Å; Q1157-E1160 PolarHBondContact O-N 3.4Å; E1160-T1162 PolarHBondContact O-N 3.2Å; E1160-K1253 IonicContact OE1-NZ 3.25Å; E1160-K1253 PolarHBondContact OE1-NZ 3.28Å |
| 1161 | K | 87.7 | Confident | 83.1 | Confident | 155 Ų | 155 | 58.5 Ų | 58.5 | 67% | 0.674 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -71.1 | -18 | 173.4 | -73.5 | 169.7 | -174.1 | 172.1 | 0 | 113 | Q1157 L1158 I1159 S1163 | Q1157-K1161 WeakPolarHBondContact O-CB 3.43Å; Q1157-K1161 WeakPolarHBondContact O-CD 3.29Å; Q1157-K1161 WeakPolarHBondContact O-CG 3.31Å; Q1157-K1161 PolarHBondContact O-N 3.06Å; L1158-K1161 PolarHBondContact O-N 2.68Å; I1159-K1161 VanDerWaalsContact C-N 3.34Å; I1159-K1161 PolarHBondContact O-N 3.42Å; K1161-S1163 PolarHBondContact O-N 3.41Å; K1161-S1163 VanDerWaalsContact O-N 3.13Å |
| 1162 | T | 83.7 | Confident | 82.3 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -74.3 | 107.2 | -179.7 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | L1158 I1159 E1160 V1164 K1166 F1167 | L1158-T1162 PolarHBondContact O-N 2.97Å; L1158-T1162 VanDerWaalsContact O-N 3.11Å; L1158-T1162 PolarHBondContact O-OG1 3.35Å; I1159-T1162 WeakPolarHBondContact O-CB 3.46Å; I1159-T1162 PolarHBondContact O-N 3.22Å; E1160-T1162 PolarHBondContact O-N 3.2Å; T1162-V1164 PolarHBondContact O-N 2.83Å; T1162-K1166 HydrophobicContact CG2-CD 4.13Å; T1162-F1167 HydrophobicContact CG2-CE2 3.81Å; T1162-F1167 HydrophobicContact CG2-CZ 3.58Å |
| 1163 | S | 72.5 | Confident | 81.4 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | trans | -61 | 128.2 | -177.9 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | K1161 R1165 K1166 | K1161-S1163 PolarHBondContact O-N 3.41Å; K1161-S1163 VanDerWaalsContact O-N 3.13Å; S1163-R1165 PolarHBondContact O-N 3.38Å; S1163-R1165 PolarHBondContact OG-N 2.91Å; S1163-K1166 VanDerWaalsContact O-CB 3.3Å; S1163-K1166 WeakPolarHBondContact O-CB 3.4Å; S1163-K1166 PolarHBondContact O-N 2.67Å | ||
| 1164 | V | 65.7 | Low | 80.6 | Confident | 65 Ų | 65 | 62 Ų | 62 | 39% | 0.394 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -55.3 | -26.9 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 112 | T1162 K1166 F1167 | T1162-V1164 PolarHBondContact O-N 2.83Å; V1164-K1166 PolarHBondContact O-N 3.18Å; V1164-F1167 PolarHBondContact O-N 2.82Å |
| 1165 | R | 65.1 | Low | 79.6 | Confident | 211 Ų | 211 | 63.9 Ų | 63.9 | 80% | 0.796 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -59.5 | -26.3 | 175.2 | -67.4 | -173.8 | -178.8 | 177.4 | 0.2 | 113.2 | S1163 F1167 | S1163-R1165 PolarHBondContact O-N 3.38Å; S1163-R1165 PolarHBondContact OG-N 2.91Å; R1165-F1167 PolarHBondContact O-N 2.83Å |
| 1166 | K | 74.1 | Confident | 78.4 | Confident | 114 Ų | 114 | 70.3 Ų | 70.3 | 50% | 0.496 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -63 | -17.1 | 176.2 | -77.1 | -176.5 | 172 | 178.6 | 0 | 112.9 | T1162 S1163 V1164 H1169 | T1162-K1166 HydrophobicContact CG2-CD 4.13Å; S1163-K1166 VanDerWaalsContact O-CB 3.3Å; S1163-K1166 WeakPolarHBondContact O-CB 3.4Å; S1163-K1166 PolarHBondContact O-N 2.67Å; V1164-K1166 PolarHBondContact O-N 3.18Å; K1166-H1169 PolarHBondContact O-CE1 3.39Å; K1166-H1169 PolarHBondContact O-ND1 2.84Å |
| 1167 | F | 80 | Confident | 77 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -114.3 | 11.1 | -172.5 | -49.7 | -60.1 | 0 | 0 | 0 | 113.6 | T1162 V1164 R1165 H1169 L1170 K1171 H1189 Y1192 I1193 E1196 | T1162-F1167 HydrophobicContact CG2-CE2 3.81Å; T1162-F1167 HydrophobicContact CG2-CZ 3.58Å; V1164-F1167 PolarHBondContact O-N 2.82Å; R1165-F1167 PolarHBondContact O-N 2.83Å; F1167-H1169 VanDerWaalsContact C-N 3.28Å; F1167-H1169 PolarHBondContact O-N 3.37Å; F1167-L1170 HydrophobicContact CD1-CD1 4.26Å; F1167-L1170 WeakPolarHBondContact O-CB 3.33Å; F1167-L1170 PolarHBondContact O-N 2.89Å; F1167-K1171 WeakPolarHBondContact O-CG 3.34Å; F1167-K1171 PolarHBondContact O-N 2.82Å; F1167-H1189 AromaticContact CE2-CD2 3.74Å; F1167-H1189 AromaticContact CE2-NE2 3.66Å; F1167-Y1192 HydrophobicContact CB-CD2 4.25Å; F1167-Y1192 HydrophobicContact CB-CG 4Å; F1167-Y1192 HydrophobicContact CD2-CD2 4.18Å; F1167-Y1192 HydrophobicContact CD2-CG 4.29Å; F1167-Y1192 HydrophobicContact CG-CD2 4.41Å; F1167-Y1192 HydrophobicContact CG-CG 4.14Å; F1167-I1193 HydrophobicContact CE2-CG1 4.41Å; F1167-I1193 HydrophobicContact CZ-CG1 3.76Å; F1167-E1196 HydrophobicContact CD1-CB 4.25Å; F1167-E1196 HydrophobicContact CE1-CB 3.91Å; F1167-E1196 HydrophobicContact CE1-CG 4.16Å |
| 1168 | E | 77.7 | Confident | 75.8 | Confident | 86 Ų | 86 | 67.2 Ų | 67.2 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.3 | -38.8 | -178 | -72.3 | -59.7 | 150 | 0 | 0 | 112.6 | L1170 K1171 E1172 | E1168-L1170 VanDerWaalsContact C-N 3.28Å; E1168-L1170 PolarHBondContact O-N 2.91Å; E1168-K1171 PolarHBondContact O-N 3.41Å; E1168-K1171 IonicContact OE1-NZ 2.75Å; E1168-K1171 PolarHBondContact OE1-NZ 3.3Å; E1168-K1171 WeakPolarHBondContact OE2-CD 3.48Å; E1168-K1171 IonicContact OE2-NZ 3.86Å; E1168-E1172 PolarHBondContact O-N 3.04Å; E1168-E1172 VanDerWaalsContact O-N 3.14Å |
| 1169 | H | 77.1 | Confident | 74.6 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 175 | 63.8 | -63.6 | 0 | 0 | 0 | 112.6 | K1166 F1167 S1173 E1196 | K1166-H1169 PolarHBondContact O-CE1 3.39Å; K1166-H1169 PolarHBondContact O-ND1 2.84Å; F1167-H1169 VanDerWaalsContact C-N 3.28Å; F1167-H1169 PolarHBondContact O-N 3.37Å; H1169-S1173 PolarHBondContact O-N 3.23Å; H1169-S1173 PolarHBondContact O-OG 2.85Å; H1169-E1196 IonicContact CE1-OE2 3.68Å; H1169-E1196 PolarHBondContact CE1-OE2 2.92Å; H1169-E1196 IonicContact NE2-OE2 3.19Å; H1169-E1196 PolarHBondContact NE2-OE2 3.22Å |
| 1170 | L | 78.6 | Confident | 73.4 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.3 | -35.3 | 176.4 | -71.8 | 169.9 | 0 | 0 | 0 | 112.3 | F1167 E1168 S1173 L1174 Y1192 L1195 E1196 L1199 L1213 | F1167-L1170 HydrophobicContact CD1-CD1 4.26Å; F1167-L1170 WeakPolarHBondContact O-CB 3.33Å; F1167-L1170 PolarHBondContact O-N 2.89Å; E1168-L1170 VanDerWaalsContact C-N 3.28Å; E1168-L1170 PolarHBondContact O-N 2.91Å; L1170-S1173 PolarHBondContact O-N 3.23Å; L1170-L1174 VanDerWaalsContact O-CB 3.29Å; L1170-L1174 WeakPolarHBondContact O-CB 3.31Å; L1170-L1174 VanDerWaalsContact O-CG 3.28Å; L1170-L1174 WeakPolarHBondContact O-CG 3.32Å; L1170-L1174 PolarHBondContact O-N 3Å; L1170-Y1192 HydrophobicContact CB-CD1 4.42Å; L1170-L1195 HydrophobicContact CD1-CB 3.98Å; L1170-L1195 HydrophobicContact CD2-CB 4.07Å; L1170-E1196 HydrophobicContact CD1-CB 4.11Å; L1170-L1199 HydrophobicContact CD2-CD1 3.83Å; L1170-L1199 HydrophobicContact CG-CD1 4.42Å; L1170-L1213 HydrophobicContact CD2-CD2 4.42Å |
| 1171 | K | 76.7 | Confident | 72.4 | Confident | 53 Ų | 53 | 67 Ų | 67 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 177.5 | -73.6 | 179.2 | -179 | 178.5 | 0 | 111.6 | F1167 E1168 L1174 S1175 Y1192 | F1167-K1171 WeakPolarHBondContact O-CG 3.34Å; F1167-K1171 PolarHBondContact O-N 2.82Å; E1168-K1171 PolarHBondContact O-N 3.41Å; E1168-K1171 IonicContact OE1-NZ 2.75Å; E1168-K1171 PolarHBondContact OE1-NZ 3.3Å; E1168-K1171 WeakPolarHBondContact OE2-CD 3.48Å; E1168-K1171 IonicContact OE2-NZ 3.86Å; K1171-L1174 PolarHBondContact O-N 3.32Å; K1171-S1175 WeakPolarHBondContact O-CB 3.33Å; K1171-S1175 PolarHBondContact O-N 3.43Å; K1171-Y1192 HydrophobicContact CG-CE1 4.02Å; K1171-Y1192 HydrophobicContact CG-CE2 4.26Å |
| 1172 | E | 72.2 | Confident | 71.7 | Confident | 126 Ų | 126 | 64.7 Ų | 64.7 | 59% | 0.589 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.1 | -47.2 | 176.6 | -71.9 | -176.2 | -176.7 | 0 | 0 | 111.2 | E1168 S1175 | E1168-E1172 PolarHBondContact O-N 3.04Å; E1168-E1172 VanDerWaalsContact O-N 3.14Å; E1172-S1175 PolarHBondContact O-N 2.7Å; E1172-S1175 PolarHBondContact O-OG 2.98Å |
| 1173 | S | 70.6 | Confident | 71.7 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 12% | 0.119 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 178.4 | -66.5 | 0 | 0 | 0 | 0 | 113 | H1169 L1170 K1176 C1177 | H1169-S1173 PolarHBondContact O-N 3.23Å; H1169-S1173 PolarHBondContact O-OG 2.85Å; L1170-S1173 PolarHBondContact O-N 3.23Å; S1173-K1176 WeakPolarHBondContact O-CB 3.46Å; S1173-K1176 PolarHBondContact O-N 2.99Å; S1173-C1177 PolarHBondContact O-SG 3.11Å |
| 1174 | L | 73.8 | Confident | 72.2 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.5 | -30.1 | 179.2 | -75.9 | 167.9 | 0 | 0 | 0 | 114 | L1170 K1171 K1176 C1177 T1180 Y1192 L1195 V1217 | L1170-L1174 VanDerWaalsContact O-CB 3.29Å; L1170-L1174 WeakPolarHBondContact O-CB 3.31Å; L1170-L1174 VanDerWaalsContact O-CG 3.28Å; L1170-L1174 WeakPolarHBondContact O-CG 3.32Å; L1170-L1174 PolarHBondContact O-N 3Å; K1171-L1174 PolarHBondContact O-N 3.32Å; L1174-K1176 PolarHBondContact O-N 3.45Å; L1174-C1177 PolarHBondContact O-N 3.26Å; L1174-T1180 HydrophobicContact CB-CG2 4.22Å; L1174-T1180 HydrophobicContact CD1-CG2 4.38Å; L1174-T1180 HydrophobicContact CD2-CG2 4.17Å; L1174-Y1192 HydrophobicContact CD1-CD1 3.77Å; L1174-Y1192 HydrophobicContact CD1-CE1 3.45Å; L1174-Y1192 VanDerWaalsContact CD1-CE1 3.45Å; L1174-L1195 HydrophobicContact CD1-CD1 3.64Å; L1174-L1195 HydrophobicContact CD2-CD1 3.94Å; L1174-L1195 HydrophobicContact CG-CD1 4.15Å; L1174-V1217 HydrophobicContact CD2-CG2 3.45Å; L1174-V1217 VanDerWaalsContact CD2-CG2 3.45Å |
| 1175 | S | 70.3 | Confident | 73 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 60% | 0.601 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.9 | -32.6 | 174.7 | 74 | 0 | 0 | 0 | 0 | 111.7 | K1171 E1172 C1177 | K1171-S1175 WeakPolarHBondContact O-CB 3.33Å; K1171-S1175 PolarHBondContact O-N 3.43Å; E1172-S1175 PolarHBondContact O-N 2.7Å; E1172-S1175 PolarHBondContact O-OG 2.98Å; S1175-C1177 VanDerWaalsContact C-N 3.3Å; S1175-C1177 PolarHBondContact O-N 3.27Å |
| 1176 | K | 66.5 | Low | 73.9 | Confident | 134 Ų | 134 | 56.5 Ų | 56.5 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.2 | 176.2 | -60.2 | 171.6 | -174.8 | 166.1 | 0 | 112.8 | S1173 L1174 | S1173-K1176 WeakPolarHBondContact O-CB 3.46Å; S1173-K1176 PolarHBondContact O-N 2.99Å; L1174-K1176 PolarHBondContact O-N 3.45Å |
| 1177 | C | 63.4 | Low | 74.5 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 9% | 0.088 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -15.4 | -175.5 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | S1173 L1174 S1175 V1179 F1214 | S1173-C1177 PolarHBondContact O-SG 3.11Å; L1174-C1177 PolarHBondContact O-N 3.26Å; S1175-C1177 VanDerWaalsContact C-N 3.3Å; S1175-C1177 PolarHBondContact O-N 3.27Å; C1177-V1179 WeakPolarHBondContact O-CG2 3.36Å; C1177-V1179 PolarHBondContact O-N 3.26Å; C1177-F1214 HydrophobicContact CB-CD1 4.17Å; C1177-F1214 HydrophobicContact CB-CD2 4.47Å; C1177-F1214 HydrophobicContact CB-CE1 3.6Å; C1177-F1214 HydrophobicContact CB-CE2 3.92Å; C1177-F1214 HydrophobicContact CB-CZ 3.48Å; C1177-F1214 VanDerWaalsContact CB-CZ 3.48Å; C1177-F1214 WeakPolarHBondContact O-CE1 3.47Å; C1177-F1214 WeakPolarHBondContact SG-CE2 3.42Å |
| 1178 | G | 66.8 | Low | 74.9 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | trans | 71 | -18.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | T1180 S1181 | G1178-T1180 VanDerWaalsContact C-N 3.35Å; G1178-T1180 PolarHBondContact O-N 3.38Å; G1178-S1181 PolarHBondContact O-OG 3.41Å | ||
| 1179 | V | 64.7 | Low | 75.4 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -67 | -29.5 | -173.8 | -172 | 0 | 0 | 0 | 0 | 113.6 | C1177 S1181 F1214 V1217 | C1177-V1179 WeakPolarHBondContact O-CG2 3.36Å; C1177-V1179 PolarHBondContact O-N 3.26Å; V1179-S1181 VanDerWaalsContact C-N 3.34Å; V1179-S1181 PolarHBondContact O-N 2.88Å; V1179-F1214 HydrophobicContact CG2-CD1 4.47Å; V1179-F1214 HydrophobicContact CG2-CE1 4.2Å; V1179-V1217 HydrophobicContact CB-CG1 3.89Å; V1179-V1217 HydrophobicContact CG1-CG1 3.77Å; V1179-V1217 HydrophobicContact CG2-CG1 4.2Å |
| 1180 | T | 65.3 | Low | 76 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -83.7 | -4.1 | -170.4 | 58.8 | 0 | 0 | 0 | 0 | 115 | L1174 G1178 N1182 Y1183 K1188 L1191 | L1174-T1180 HydrophobicContact CB-CG2 4.22Å; L1174-T1180 HydrophobicContact CD1-CG2 4.38Å; L1174-T1180 HydrophobicContact CD2-CG2 4.17Å; G1178-T1180 VanDerWaalsContact C-N 3.35Å; G1178-T1180 PolarHBondContact O-N 3.38Å; T1180-N1182 PolarHBondContact O-N 2.83Å; T1180-Y1183 HydrophobicContact CG2-CD2 4.44Å; T1180-Y1183 PolarHBondContact O-N 2.91Å; T1180-K1188 WeakPolarHBondContact O-CE 3.1Å; T1180-L1191 HydrophobicContact CG2-CD2 3.84Å |
| 1181 | S | 68.7 | Low | 76.5 | Confident | 74 Ų | 74 | 45.2 Ų | 45.2 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -59.2 | -32.4 | -176.7 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | G1178 V1179 | G1178-S1181 PolarHBondContact O-OG 3.41Å; V1179-S1181 VanDerWaalsContact C-N 3.34Å; V1179-S1181 PolarHBondContact O-N 2.88Å |
| 1182 | N | 73.6 | Confident | 77.2 | Confident | 107 Ų | 107 | 43.5 Ų | 43.5 | 57% | 0.572 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -86.8 | -4.8 | -177 | -65.5 | -25.9 | 0 | 0 | 0 | 114.6 | T1180 F1246 | T1180-N1182 PolarHBondContact O-N 2.83Å; N1182-F1246 WeakPolarHBondContact O-CB 3.26Å; N1182-F1246 PolarHBondContact O-N 2.89Å |
| 1183 | Y | 82.4 | Confident | 78.1 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -97.1 | 140.3 | -174.5 | -57.5 | -27.8 | 0 | 0 | 0 | 112.2 | T1180 I1187 K1188 L1191 D1221 L1224 F1246 | T1180-Y1183 HydrophobicContact CG2-CD2 4.44Å; T1180-Y1183 PolarHBondContact O-N 2.91Å; Y1183-I1187 HydrophobicContact CD1-CG2 4.24Å; Y1183-I1187 HydrophobicContact CD2-CG2 4.15Å; Y1183-I1187 HydrophobicContact CG-CG2 3.85Å; Y1183-K1188 WeakPolarHBondContact O-CE 3.34Å; Y1183-L1191 HydrophobicContact CD2-CD2 4.41Å; Y1183-L1191 HydrophobicContact CE2-CD2 4.35Å; Y1183-D1221 PolarHBondContact OH-OD1 2.91Å; Y1183-D1221 VanDerWaalsContact OH-OD1 3.11Å; Y1183-L1224 HydrophobicContact CD1-CD1 4.16Å; Y1183-L1224 HydrophobicContact CE1-CD1 3.6Å; Y1183-L1224 HydrophobicContact CE2-CD1 4.46Å; Y1183-F1246 HydrophobicContact CD1-CD1 4.5Å |
| 1184 | N | 84.1 | Confident | 79.1 | Confident | 29 Ų | 29 | 37 Ų | 37 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | trans | -69 | 169 | 168.1 | 80.2 | -6.8 | 0 | 0 | 0 | 111.9 | G1186 I1187 K1188 F1246 V1247 | N1184-G1186 VanDerWaalsContact C-N 3.29Å; N1184-G1186 PolarHBondContact O-N 3.47Å; N1184-G1186 PolarHBondContact OD1-N 2.85Å; N1184-I1187 PolarHBondContact O-N 2.87Å; N1184-I1187 WeakPolarHBondContact OD1-CB 3.49Å; N1184-I1187 WeakPolarHBondContact OD1-CG1 3.09Å; N1184-I1187 PolarHBondContact OD1-N 2.81Å; N1184-K1188 WeakPolarHBondContact O-CG 3.29Å; N1184-K1188 PolarHBondContact O-N 2.73Å; N1184-K1188 VanDerWaalsContact O-N 3.08Å; N1184-F1246 PolarHBondContact N-O 3.34Å; N1184-V1247 HydrophobicContact CB-CG2 3.98Å | ||
| 1185 | E | 81.8 | Confident | 79.8 | Confident | 113 Ų | 113 | 36.9 Ų | 36.9 | 53% | 0.528 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.3 | -30.9 | -177.2 | -67.2 | -55.7 | 125.4 | 0 | 0 | 113.4 | K1188 H1189 | E1185-K1188 IonicContact OE1-NZ 2.8Å; E1185-K1188 PolarHBondContact OE1-NZ 2.97Å; E1185-H1189 WeakPolarHBondContact O-CB 3.5Å; E1185-H1189 PolarHBondContact O-N 3.31Å |
| 1186 | G | 83.9 | Confident | 80.6 | Confident | 25 Ų | 25 | 34.1 Ų | 34.1 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1184 H1189 V1190 | N1184-G1186 VanDerWaalsContact C-N 3.29Å; N1184-G1186 PolarHBondContact O-N 3.47Å; N1184-G1186 PolarHBondContact OD1-N 2.85Å; G1186-H1189 WeakPolarHBondContact O-CB 3.48Å; G1186-H1189 PolarHBondContact O-N 3.22Å; G1186-V1190 PolarHBondContact O-N 2.87Å |
| 1187 | I | 87.6 | Confident | 81.8 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 177.2 | -67.9 | 171 | 0 | 0 | 0 | 110.4 | Y1183 N1184 H1189 V1190 L1191 F1220 L1224 F1246 I1248 L1256 | Y1183-I1187 HydrophobicContact CD1-CG2 4.24Å; Y1183-I1187 HydrophobicContact CD2-CG2 4.15Å; Y1183-I1187 HydrophobicContact CG-CG2 3.85Å; N1184-I1187 PolarHBondContact O-N 2.87Å; N1184-I1187 WeakPolarHBondContact OD1-CB 3.49Å; N1184-I1187 WeakPolarHBondContact OD1-CG1 3.09Å; N1184-I1187 PolarHBondContact OD1-N 2.81Å; I1187-H1189 VanDerWaalsContact C-N 3.28Å; I1187-H1189 PolarHBondContact O-N 3.28Å; I1187-V1190 PolarHBondContact O-N 3.13Å; I1187-L1191 PolarHBondContact O-N 3.36Å; I1187-F1220 HydrophobicContact CG2-CE1 3.69Å; I1187-F1220 HydrophobicContact CG2-CZ 4.04Å; I1187-L1224 HydrophobicContact CG2-CD1 3.95Å; I1187-F1246 HydrophobicContact CD1-CD1 3.49Å; I1187-F1246 VanDerWaalsContact CD1-CD1 3.49Å; I1187-F1246 HydrophobicContact CD1-CE1 3.83Å; I1187-F1246 HydrophobicContact CD1-CG 4.38Å; I1187-F1246 WeakPolarHBondContact CD1-O 3.49Å; I1187-I1248 HydrophobicContact CD1-CD1 4.16Å; I1187-I1248 HydrophobicContact CD1-CG1 4.12Å; I1187-I1248 HydrophobicContact CG1-CD1 4.47Å; I1187-L1256 HydrophobicContact CG1-CD2 4.07Å |
| 1188 | K | 86.9 | Confident | 83 | Confident | 28 Ų | 28 | 27.4 Ų | 27.4 | 12% | 0.122 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.4 | -41.1 | 174.3 | -72.2 | 178.2 | -173.3 | 170.2 | 0 | 111.8 | T1180 Y1183 N1184 E1185 V1190 L1191 Y1192 | T1180-K1188 WeakPolarHBondContact O-CE 3.1Å; Y1183-K1188 WeakPolarHBondContact O-CE 3.34Å; N1184-K1188 WeakPolarHBondContact O-CG 3.29Å; N1184-K1188 PolarHBondContact O-N 2.73Å; N1184-K1188 VanDerWaalsContact O-N 3.08Å; E1185-K1188 IonicContact OE1-NZ 2.8Å; E1185-K1188 PolarHBondContact OE1-NZ 2.97Å; K1188-V1190 PolarHBondContact O-N 2.97Å; K1188-L1191 WeakPolarHBondContact O-CB 3.5Å; K1188-L1191 PolarHBondContact O-N 3.25Å; K1188-Y1192 HydrophobicContact CB-CE2 3.85Å; K1188-Y1192 WeakPolarHBondContact O-CD2 3.46Å; K1188-Y1192 PolarHBondContact O-N 3.38Å |
| 1189 | H | 87.9 | Confident | 83.8 | Confident | 23 Ų | 23 | 26.6 Ų | 26.6 | 11% | 0.106 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 178.7 | -161.5 | 172.4 | 0 | 0 | 0 | 111.9 | I1159 F1167 E1185 G1186 I1187 L1191 Y1192 I1193 | I1159-H1189 PolarHBondContact O-CE1 3.37Å; F1167-H1189 AromaticContact CE2-CD2 3.74Å; F1167-H1189 AromaticContact CE2-NE2 3.66Å; E1185-H1189 WeakPolarHBondContact O-CB 3.5Å; E1185-H1189 PolarHBondContact O-N 3.31Å; G1186-H1189 WeakPolarHBondContact O-CB 3.48Å; G1186-H1189 PolarHBondContact O-N 3.22Å; I1187-H1189 VanDerWaalsContact C-N 3.28Å; I1187-H1189 PolarHBondContact O-N 3.28Å; H1189-L1191 VanDerWaalsContact C-N 3.34Å; H1189-L1191 PolarHBondContact O-N 3.15Å; H1189-Y1192 PolarHBondContact O-N 3.29Å; H1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; H1189-I1193 PolarHBondContact O-N 2.92Å; H1189-I1193 VanDerWaalsContact O-N 3.08Å |
| 1190 | V | 90.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 175 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | G1186 I1187 K1188 Y1192 I1193 Y1194 F1220 K1253 L1256 L1257 | G1186-V1190 PolarHBondContact O-N 2.87Å; I1187-V1190 PolarHBondContact O-N 3.13Å; K1188-V1190 PolarHBondContact O-N 2.97Å; V1190-Y1192 PolarHBondContact O-N 3.02Å; V1190-I1193 PolarHBondContact O-N 3.17Å; V1190-Y1194 PolarHBondContact O-N 2.79Å; V1190-F1220 HydrophobicContact CG1-CE2 4.14Å; V1190-F1220 HydrophobicContact CG1-CZ 4.33Å; V1190-K1253 HydrophobicContact CG2-CB 4.03Å; V1190-K1253 WeakPolarHBondContact CG2-O 3.46Å; V1190-L1256 HydrophobicContact CB-CD2 4.33Å; V1190-L1256 HydrophobicContact CG1-CD2 4.44Å; V1190-L1256 HydrophobicContact CG1-CG 4.3Å; V1190-L1256 HydrophobicContact CG2-CB 4.45Å; V1190-L1256 HydrophobicContact CG2-CD2 4.1Å; V1190-L1256 HydrophobicContact CG2-CG 4.47Å; V1190-L1257 HydrophobicContact CG1-CB 4.11Å; V1190-L1257 HydrophobicContact CG1-CD1 3.95Å |
| 1191 | L | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 174.9 | 177 | 61.4 | 0 | 0 | 0 | 112 | T1180 Y1183 I1187 K1188 H1189 Y1194 L1195 V1217 F1220 | T1180-L1191 HydrophobicContact CG2-CD2 3.84Å; Y1183-L1191 HydrophobicContact CD2-CD2 4.41Å; Y1183-L1191 HydrophobicContact CE2-CD2 4.35Å; I1187-L1191 PolarHBondContact O-N 3.36Å; K1188-L1191 WeakPolarHBondContact O-CB 3.5Å; K1188-L1191 PolarHBondContact O-N 3.25Å; H1189-L1191 VanDerWaalsContact C-N 3.34Å; H1189-L1191 PolarHBondContact O-N 3.15Å; L1191-Y1194 HydrophobicContact CD1-CD1 4.14Å; L1191-Y1194 WeakPolarHBondContact O-CB 3.3Å; L1191-Y1194 PolarHBondContact O-N 3.31Å; L1191-L1195 HydrophobicContact CD1-CD1 4.02Å; L1191-L1195 HydrophobicContact CD1-CG 4.08Å; L1191-L1195 HydrophobicContact CG-CD1 4.02Å; L1191-L1195 HydrophobicContact CG-CG 4.48Å; L1191-L1195 WeakPolarHBondContact O-CG 3.31Å; L1191-L1195 PolarHBondContact O-N 3.38Å; L1191-V1217 HydrophobicContact CD1-CG2 4.44Å; L1191-F1220 HydrophobicContact CB-CD1 4.33Å; L1191-F1220 HydrophobicContact CB-CE1 4Å; L1191-F1220 HydrophobicContact CB-CZ 4.23Å; L1191-F1220 HydrophobicContact CD1-CB 4.01Å; L1191-F1220 HydrophobicContact CD1-CD1 3.83Å; L1191-F1220 HydrophobicContact CD1-CD2 4.39Å; L1191-F1220 HydrophobicContact CD1-CE1 4.35Å; L1191-F1220 HydrophobicContact CD1-CG 3.83Å; L1191-F1220 HydrophobicContact CG-CD1 4.45Å |
| 1192 | Y | 89.8 | Confident | 86 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 177.6 | -61 | -40.1 | 0 | 0 | 0 | 112.4 | F1167 L1170 K1171 L1174 K1188 H1189 V1190 Y1194 L1195 E1196 | F1167-Y1192 HydrophobicContact CB-CD2 4.25Å; F1167-Y1192 HydrophobicContact CB-CG 4Å; F1167-Y1192 HydrophobicContact CD2-CD2 4.18Å; F1167-Y1192 HydrophobicContact CD2-CG 4.29Å; F1167-Y1192 HydrophobicContact CG-CD2 4.41Å; F1167-Y1192 HydrophobicContact CG-CG 4.14Å; L1170-Y1192 HydrophobicContact CB-CD1 4.42Å; K1171-Y1192 HydrophobicContact CG-CE1 4.02Å; K1171-Y1192 HydrophobicContact CG-CE2 4.26Å; L1174-Y1192 HydrophobicContact CD1-CD1 3.77Å; L1174-Y1192 HydrophobicContact CD1-CE1 3.45Å; L1174-Y1192 VanDerWaalsContact CD1-CE1 3.45Å; K1188-Y1192 HydrophobicContact CB-CE2 3.85Å; K1188-Y1192 WeakPolarHBondContact O-CD2 3.46Å; K1188-Y1192 PolarHBondContact O-N 3.38Å; H1189-Y1192 PolarHBondContact O-N 3.29Å; V1190-Y1192 PolarHBondContact O-N 3.02Å; Y1192-Y1194 VanDerWaalsContact C-N 3.31Å; Y1192-Y1194 PolarHBondContact O-N 3.21Å; Y1192-L1195 PolarHBondContact O-N 2.99Å; Y1192-E1196 VanDerWaalsContact O-CB 3.29Å; Y1192-E1196 WeakPolarHBondContact O-CB 3.43Å; Y1192-E1196 PolarHBondContact O-N 3.4Å |
| 1193 | I | 91.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.3 | -69.8 | 167.2 | 0 | 0 | 0 | 110.3 | I1159 F1167 H1189 V1190 W1197 L1257 L1308 | I1159-I1193 HydrophobicContact CB-CD1 4.32Å; I1159-I1193 HydrophobicContact CD1-CD1 4.44Å; I1159-I1193 HydrophobicContact CG1-CD1 3.86Å; I1159-I1193 HydrophobicContact CG2-CD1 3.83Å; F1167-I1193 HydrophobicContact CE2-CG1 4.41Å; F1167-I1193 HydrophobicContact CZ-CG1 3.76Å; H1189-I1193 WeakPolarHBondContact O-CG1 3.45Å; H1189-I1193 PolarHBondContact O-N 2.92Å; H1189-I1193 VanDerWaalsContact O-N 3.08Å; V1190-I1193 PolarHBondContact O-N 3.17Å; I1193-W1197 VanDerWaalsContact O-CB 3.27Å; I1193-W1197 WeakPolarHBondContact O-CB 3.36Å; I1193-W1197 PolarHBondContact O-N 3.16Å; I1193-L1257 HydrophobicContact CG2-CD1 4.09Å; I1193-L1257 HydrophobicContact CG2-CD2 4.28Å; I1193-L1308 HydrophobicContact CD1-CD2 4.16Å; I1193-L1308 HydrophobicContact CG1-CD2 4.34Å; I1193-L1308 HydrophobicContact CG2-CD2 4.19Å |
| 1194 | Y | 92 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 177.2 | 164.5 | -121.5 | 0 | 0 | 0 | 112.8 | V1190 L1191 Y1192 W1197 C1198 F1216 F1260 F1261 L1264 L1286 | V1190-Y1194 PolarHBondContact O-N 2.79Å; L1191-Y1194 HydrophobicContact CD1-CD1 4.14Å; L1191-Y1194 WeakPolarHBondContact O-CB 3.3Å; L1191-Y1194 PolarHBondContact O-N 3.31Å; Y1192-Y1194 VanDerWaalsContact C-N 3.31Å; Y1192-Y1194 PolarHBondContact O-N 3.21Å; Y1194-W1197 HydrophobicContact CD2-CE3 4.16Å; Y1194-W1197 HydrophobicContact CE2-CE3 4.29Å; Y1194-W1197 HydrophobicContact CE2-CZ3 4.37Å; Y1194-W1197 WeakPolarHBondContact O-CA 3.27Å; Y1194-W1197 WeakPolarHBondContact O-CB 3.27Å; Y1194-W1197 PolarHBondContact O-N 3.25Å; Y1194-W1197 VanDerWaalsContact O-N 3.15Å; Y1194-C1198 WeakPolarHBondContact CE2-SG 3.25Å; Y1194-C1198 PolarHBondContact O-N 3.1Å; Y1194-C1198 PolarHBondContact O-SG 3.13Å; Y1194-F1216 HydrophobicContact CE1-CB 4.1Å; Y1194-F1216 WeakPolarHBondContact OH-CD1 3.36Å; Y1194-F1260 AromaticContact CD1-CE1 3.71Å; Y1194-F1260 HydrophobicContact CD1-CE1 3.71Å; Y1194-F1260 HydrophobicContact CD1-CZ 4.16Å; Y1194-F1260 HydrophobicContact CD2-CD1 4.38Å; Y1194-F1260 AromaticContact CD2-CE1 3.54Å; Y1194-F1260 HydrophobicContact CD2-CE1 3.54Å; Y1194-F1260 HydrophobicContact CD2-CZ 4.4Å; Y1194-F1260 AromaticContact CE1-CE1 3.86Å; Y1194-F1260 HydrophobicContact CE1-CE1 3.86Å; Y1194-F1260 AromaticContact CE1-CZ 3.9Å; Y1194-F1260 HydrophobicContact CE1-CZ 3.9Å; Y1194-F1260 AromaticContact CE2-CE1 3.69Å; Y1194-F1260 HydrophobicContact CE2-CE1 3.69Å; Y1194-F1260 HydrophobicContact CE2-CZ 4.15Å; Y1194-F1260 HydrophobicContact CG-CD1 4.34Å; Y1194-F1260 AromaticContact CG-CE1 3.52Å; Y1194-F1260 HydrophobicContact CG-CE1 3.52Å; Y1194-F1260 HydrophobicContact CG-CZ 4.38Å; Y1194-F1260 AromaticContact CZ-CE1 3.84Å; Y1194-F1260 AromaticContact CZ-CZ 3.88Å; Y1194-F1261 HydrophobicContact CD2-CE2 4.46Å; Y1194-F1261 HydrophobicContact CD2-CZ 4.4Å; Y1194-L1264 HydrophobicContact CD2-CD1 4.34Å; Y1194-L1264 HydrophobicContact CE2-CD1 3.7Å; Y1194-L1286 HydrophobicContact CE2-CD1 3.97Å; Y1194-L1286 WeakPolarHBondContact OH-CD2 3.29Å |
| 1195 | L | 89.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.8 | -39.6 | -179.1 | -67.9 | 172.6 | 0 | 0 | 0 | 111.9 | L1170 L1174 L1191 Y1192 W1197 C1198 L1199 L1213 F1216 V1217 | L1170-L1195 HydrophobicContact CD1-CB 3.98Å; L1170-L1195 HydrophobicContact CD2-CB 4.07Å; L1174-L1195 HydrophobicContact CD1-CD1 3.64Å; L1174-L1195 HydrophobicContact CD2-CD1 3.94Å; L1174-L1195 HydrophobicContact CG-CD1 4.15Å; L1191-L1195 HydrophobicContact CD1-CD1 4.02Å; L1191-L1195 HydrophobicContact CD1-CG 4.08Å; L1191-L1195 HydrophobicContact CG-CD1 4.02Å; L1191-L1195 HydrophobicContact CG-CG 4.48Å; L1191-L1195 WeakPolarHBondContact O-CG 3.31Å; L1191-L1195 PolarHBondContact O-N 3.38Å; Y1192-L1195 PolarHBondContact O-N 2.99Å; L1195-W1197 VanDerWaalsContact C-N 3.29Å; L1195-W1197 PolarHBondContact O-N 3.35Å; L1195-C1198 WeakPolarHBondContact O-CB 3.43Å; L1195-C1198 PolarHBondContact O-N 2.99Å; L1195-L1199 WeakPolarHBondContact O-CG 3.47Å; L1195-L1199 PolarHBondContact O-N 2.82Å; L1195-L1213 HydrophobicContact CD2-CD2 4.15Å; L1195-F1216 HydrophobicContact CD2-CB 4.02Å; L1195-V1217 HydrophobicContact CD1-CG2 4.13Å; L1195-V1217 HydrophobicContact CD2-CG2 4.2Å |
| 1196 | E | 87.8 | Confident | 83.5 | Confident | 27 Ų | 27 | 36 Ų | 36 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 172.1 | -178.1 | 66.5 | -173.3 | 0 | 0 | 111.3 | F1167 H1169 L1170 Y1192 L1199 R1200 | F1167-E1196 HydrophobicContact CD1-CB 4.25Å; F1167-E1196 HydrophobicContact CE1-CB 3.91Å; F1167-E1196 HydrophobicContact CE1-CG 4.16Å; H1169-E1196 IonicContact CE1-OE2 3.68Å; H1169-E1196 PolarHBondContact CE1-OE2 2.92Å; H1169-E1196 IonicContact NE2-OE2 3.19Å; H1169-E1196 PolarHBondContact NE2-OE2 3.22Å; L1170-E1196 HydrophobicContact CD1-CB 4.11Å; Y1192-E1196 VanDerWaalsContact O-CB 3.29Å; Y1192-E1196 WeakPolarHBondContact O-CB 3.43Å; Y1192-E1196 PolarHBondContact O-N 3.4Å; E1196-L1199 PolarHBondContact O-N 2.81Å; E1196-R1200 WeakPolarHBondContact O-CB 3.42Å; E1196-R1200 WeakPolarHBondContact O-CG 3.35Å; E1196-R1200 PolarHBondContact O-N 3.48Å; E1196-R1200 IonicContact OE1-CZ 2.64Å; E1196-R1200 VanDerWaalsContact OE1-CZ 3.25Å; E1196-R1200 IonicContact OE1-NE 3.52Å; E1196-R1200 PolarHBondContact OE1-NE 3.46Å; E1196-R1200 IonicContact OE1-NH2 3.85Å; E1196-R1200 PolarHBondContact OE1-NH2 3.38Å |
| 1197 | W | 91.1 | Very high | 82.1 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -41 | 174.2 | 176.8 | 86.5 | 0 | 0 | 0 | 112.1 | I1193 Y1194 L1195 R1200 S1201 L1203 F1261 L1286 L1289 A1290 A1293 S1305 Y1307 | I1193-W1197 VanDerWaalsContact O-CB 3.27Å; I1193-W1197 WeakPolarHBondContact O-CB 3.36Å; I1193-W1197 PolarHBondContact O-N 3.16Å; Y1194-W1197 HydrophobicContact CD2-CE3 4.16Å; Y1194-W1197 HydrophobicContact CE2-CE3 4.29Å; Y1194-W1197 HydrophobicContact CE2-CZ3 4.37Å; Y1194-W1197 WeakPolarHBondContact O-CA 3.27Å; Y1194-W1197 WeakPolarHBondContact O-CB 3.27Å; Y1194-W1197 PolarHBondContact O-N 3.25Å; Y1194-W1197 VanDerWaalsContact O-N 3.15Å; L1195-W1197 VanDerWaalsContact C-N 3.29Å; L1195-W1197 PolarHBondContact O-N 3.35Å; W1197-R1200 PolarHBondContact O-N 3.39Å; W1197-S1201 WeakPolarHBondContact O-CB 3.33Å; W1197-S1201 PolarHBondContact O-N 2.94Å; W1197-S1201 PolarHBondContact O-OG 3.41Å; W1197-L1203 HydrophobicContact CZ3-CD1 4.23Å; W1197-F1261 AromaticContact CD2-CE1 3.73Å; W1197-F1261 HydrophobicContact CD2-CE1 3.73Å; W1197-F1261 AromaticContact CD2-CZ 3.62Å; W1197-F1261 HydrophobicContact CD2-CZ 3.62Å; W1197-F1261 AromaticContact CE2-CE1 3.65Å; W1197-F1261 AromaticContact CE3-CE1 3.8Å; W1197-F1261 HydrophobicContact CE3-CE1 3.8Å; W1197-F1261 AromaticContact CE3-CZ 3.69Å; W1197-F1261 HydrophobicContact CE3-CZ 3.69Å; W1197-F1261 HydrophobicContact CG-CE1 4.44Å; W1197-F1261 AromaticContact CG-CZ 4Å; W1197-F1261 HydrophobicContact CG-CZ 4Å; W1197-F1261 AromaticContact CH2-CE1 3.77Å; W1197-F1261 HydrophobicContact CH2-CE1 3.77Å; W1197-F1261 HydrophobicContact CH2-CZ 4.5Å; W1197-F1261 AromaticContact CZ2-CE1 3.7Å; W1197-F1261 HydrophobicContact CZ2-CE1 3.7Å; W1197-F1261 HydrophobicContact CZ2-CZ 4.45Å; W1197-F1261 AromaticContact CZ3-CE1 3.81Å; W1197-F1261 HydrophobicContact CZ3-CE1 3.81Å; W1197-F1261 HydrophobicContact CZ3-CZ 4.12Å; W1197-L1286 HydrophobicContact CH2-CD1 4.38Å; W1197-L1286 HydrophobicContact CZ3-CD1 3.69Å; W1197-L1289 HydrophobicContact CH2-CB 3.7Å; W1197-L1289 HydrophobicContact CZ2-CB 3.96Å; W1197-A1290 HydrophobicContact CH2-CB 4.26Å; W1197-A1293 HydrophobicContact CZ2-CB 4.05Å; W1197-S1305 PolarHBondContact NE1-O 2.83Å; W1197-Y1307 HydrophobicContact CB-CD2 4.35Å; W1197-Y1307 AromaticContact CD1-CD2 3.52Å; W1197-Y1307 AromaticContact CD1-CE2 3.39Å; W1197-Y1307 HydrophobicContact CG-CD2 4.25Å; W1197-Y1307 HydrophobicContact CG-CE2 4.12Å; W1197-Y1307 AromaticContact NE1-CE2 3.95Å |
| 1198 | C | 87.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 173.3 | -72.6 | 0 | 0 | 0 | 0 | 112.6 | Y1194 L1195 S1201 H1202 L1203 | Y1194-C1198 WeakPolarHBondContact CE2-SG 3.25Å; Y1194-C1198 PolarHBondContact O-N 3.1Å; Y1194-C1198 PolarHBondContact O-SG 3.13Å; L1195-C1198 WeakPolarHBondContact O-CB 3.43Å; L1195-C1198 PolarHBondContact O-N 2.99Å; C1198-S1201 PolarHBondContact O-N 2.86Å; C1198-H1202 PolarHBondContact O-N 3.03Å; C1198-L1203 PolarHBondContact O-N 2.97Å; C1198-L1203 VanDerWaalsContact O-N 3.14Å |
| 1199 | L | 84.5 | Confident | 79.5 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 176.1 | -71.9 | 173 | 0 | 0 | 0 | 111.5 | L1170 L1195 E1196 S1201 H1202 V1204 A1207 | L1170-L1199 HydrophobicContact CD2-CD1 3.83Å; L1170-L1199 HydrophobicContact CG-CD1 4.42Å; L1195-L1199 WeakPolarHBondContact O-CG 3.47Å; L1195-L1199 PolarHBondContact O-N 2.82Å; E1196-L1199 PolarHBondContact O-N 2.81Å; L1199-S1201 VanDerWaalsContact C-N 3.28Å; L1199-S1201 PolarHBondContact O-N 3.15Å; L1199-H1202 PolarHBondContact O-N 2.77Å; L1199-H1202 VanDerWaalsContact O-N 3.13Å; L1199-V1204 HydrophobicContact CD2-CB 4.06Å; L1199-V1204 HydrophobicContact CD2-CG1 4.08Å; L1199-A1207 HydrophobicContact CD1-CB 4.48Å; L1199-A1207 HydrophobicContact CD2-CB 3.95Å |
| 1200 | R | 84 | Confident | 78.6 | Confident | 101 Ų | 101 | 48 Ų | 48 | 38% | 0.381 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.3 | -24.2 | 179.5 | -70.9 | 179.7 | -174.1 | -150.9 | 0.4 | 113.9 | E1196 W1197 Y1307 | E1196-R1200 WeakPolarHBondContact O-CB 3.42Å; E1196-R1200 WeakPolarHBondContact O-CG 3.35Å; E1196-R1200 PolarHBondContact O-N 3.48Å; E1196-R1200 IonicContact OE1-CZ 2.64Å; E1196-R1200 VanDerWaalsContact OE1-CZ 3.25Å; E1196-R1200 IonicContact OE1-NE 3.52Å; E1196-R1200 PolarHBondContact OE1-NE 3.46Å; E1196-R1200 IonicContact OE1-NH2 3.85Å; E1196-R1200 PolarHBondContact OE1-NH2 3.38Å; W1197-R1200 PolarHBondContact O-N 3.39Å; R1200-Y1307 HydrophobicContact CB-CD2 3.78Å; R1200-Y1307 HydrophobicContact CB-CE1 4.32Å; R1200-Y1307 HydrophobicContact CB-CE2 3.38Å; R1200-Y1307 HydrophobicContact CB-CG 4.41Å; R1200-Y1307 HydrophobicContact CG-CD2 4.34Å; R1200-Y1307 HydrophobicContact CG-CE2 4.4Å; R1200-Y1307 PolarHBondContact O-OH 3.29Å |
| 1201 | S | 82.3 | Confident | 77.7 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 16% | 0.161 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 4.5 | 174 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | W1197 C1198 L1199 L1203 Y1307 | W1197-S1201 WeakPolarHBondContact O-CB 3.33Å; W1197-S1201 PolarHBondContact O-N 2.94Å; W1197-S1201 PolarHBondContact O-OG 3.41Å; C1198-S1201 PolarHBondContact O-N 2.86Å; L1199-S1201 VanDerWaalsContact C-N 3.28Å; L1199-S1201 PolarHBondContact O-N 3.15Å; S1201-L1203 PolarHBondContact O-N 3.38Å; S1201-L1203 VanDerWaalsContact O-N 3.15Å; S1201-Y1307 PolarHBondContact OG-OH 3.14Å |
| 1202 | H | 78.3 | Confident | 76.8 | Confident | 160 Ų | 160 | 54.5 Ų | 54.5 | 74% | 0.741 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 24.6 | -179.5 | -55.2 | -64.2 | 0 | 0 | 0 | 114.6 | C1198 L1199 V1204 | C1198-H1202 PolarHBondContact O-N 3.03Å; L1199-H1202 PolarHBondContact O-N 2.77Å; L1199-H1202 VanDerWaalsContact O-N 3.13Å; H1202-V1204 PolarHBondContact O-N 2.92Å |
| 1203 | L | 74.8 | Confident | 76.1 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -73.3 | -19.4 | 172.9 | -72.1 | 170.2 | 0 | 0 | 0 | 112.4 | W1197 C1198 S1201 F1216 A1285 L1286 L1289 | W1197-L1203 HydrophobicContact CZ3-CD1 4.23Å; C1198-L1203 PolarHBondContact O-N 2.97Å; C1198-L1203 VanDerWaalsContact O-N 3.14Å; S1201-L1203 PolarHBondContact O-N 3.38Å; S1201-L1203 VanDerWaalsContact O-N 3.15Å; L1203-F1216 HydrophobicContact CB-CZ 4.09Å; L1203-A1285 HydrophobicContact CD2-CB 3.62Å; L1203-L1286 HydrophobicContact CD1-CB 4.17Å; L1203-L1286 HydrophobicContact CD1-CD1 3.71Å; L1203-L1289 HydrophobicContact CD1-CD1 3.96Å; L1203-L1289 HydrophobicContact CD2-CD1 3.85Å; L1203-L1289 HydrophobicContact CG-CD1 3.92Å |
| 1204 | V | 69.9 | Low | 75.5 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -124.7 | 117.9 | 174.8 | 179 | 0 | 0 | 0 | 0 | 106.7 | L1199 H1202 E1206 A1212 F1216 | L1199-V1204 HydrophobicContact CD2-CB 4.06Å; L1199-V1204 HydrophobicContact CD2-CG1 4.08Å; H1202-V1204 PolarHBondContact O-N 2.92Å; V1204-E1206 WeakPolarHBondContact CG1-O 3.32Å; V1204-A1212 HydrophobicContact CG1-CB 4.16Å; V1204-A1212 HydrophobicContact CG2-CB 4.22Å; V1204-F1216 HydrophobicContact CG2-CD2 3.64Å; V1204-F1216 HydrophobicContact CG2-CE2 3.24Å; V1204-F1216 HydrophobicContact CG2-CZ 4.13Å |
| 1205 | T | 62.9 | Low | 74.9 | Confident | 142 Ų | 142 | 59.8 Ų | 59.8 | 87% | 0.871 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -74.8 | -31.3 | -178.8 | 45 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1206 | E | 60.9 | Low | 74.7 | Confident | 132 Ų | 132 | 59.9 Ų | 59.9 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | trans | -128.6 | 120.9 | 179.8 | -65.4 | -176.7 | 177.8 | 0 | 0 | 110.8 | V1204 D1208 S1209 | V1204-E1206 WeakPolarHBondContact CG1-O 3.32Å; E1206-D1208 PolarHBondContact O-N 3.25Å; E1206-S1209 PolarHBondContact O-N 2.73Å | ||
| 1207 | A | 54.1 | Low | 74.6 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1199 L1213 | L1199-A1207 HydrophobicContact CD1-CB 4.48Å; L1199-A1207 HydrophobicContact CD2-CB 3.95Å; A1207-L1213 WeakPolarHBondContact O-CD1 3.4Å |
| 1208 | D | 55.1 | Low | 74.2 | Confident | 126 Ų | 126 | 59.9 Ų | 59.9 | 67% | 0.674 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -0.5 | 179 | -71.7 | -36.9 | 0 | 0 | 0 | 114.3 | E1206 K1210 | E1206-D1208 PolarHBondContact O-N 3.25Å; D1208-K1210 PolarHBondContact O-N 3.31Å |
| 1209 | S | 66.4 | Low | 74.1 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | trans | -67.8 | 94.8 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | E1206 E1211 A1212 L1213 | E1206-S1209 PolarHBondContact O-N 2.73Å; S1209-E1211 VanDerWaalsContact C-N 3.25Å; S1209-E1211 PolarHBondContact O-N 3.29Å; S1209-A1212 PolarHBondContact O-N 3.25Å; S1209-A1212 WeakPolarHBondContact OG-CB 3.44Å; S1209-A1212 PolarHBondContact OG-N 3.42Å; S1209-L1213 PolarHBondContact O-N 3.47Å; S1209-L1213 VanDerWaalsContact O-N 3.09Å | ||
| 1210 | K | 67.8 | Low | 74.3 | Confident | 124 Ų | 124 | 59.4 Ų | 59.4 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.5 | -44.6 | 178.1 | -72.3 | -178.7 | -178.5 | 174 | 0 | 110.9 | D1208 L1213 F1214 | D1208-K1210 PolarHBondContact O-N 3.31Å; K1210-L1213 PolarHBondContact O-N 2.79Å; K1210-F1214 HydrophobicContact CB-CD2 4.43Å; K1210-F1214 WeakPolarHBondContact O-CB 3.34Å; K1210-F1214 WeakPolarHBondContact O-CD2 3.39Å; K1210-F1214 PolarHBondContact O-N 2.88Å |
| 1211 | E | 71 | Confident | 74.3 | Confident | 132 Ų | 132 | 56.5 Ų | 56.5 | 62% | 0.617 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | -176.6 | -66.9 | -179 | 176.7 | 0 | 0 | 112.5 | S1209 F1214 T1215 | S1209-E1211 VanDerWaalsContact C-N 3.25Å; S1209-E1211 PolarHBondContact O-N 3.29Å; E1211-F1214 PolarHBondContact O-N 2.55Å; E1211-T1215 PolarHBondContact O-N 3.37Å; E1211-T1215 PolarHBondContact O-OG1 2.75Å |
| 1212 | A | 72.1 | Confident | 74.5 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -49.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1204 S1209 F1214 T1215 F1216 | V1204-A1212 HydrophobicContact CG1-CB 4.16Å; V1204-A1212 HydrophobicContact CG2-CB 4.22Å; S1209-A1212 PolarHBondContact O-N 3.25Å; S1209-A1212 WeakPolarHBondContact OG-CB 3.44Å; S1209-A1212 PolarHBondContact OG-N 3.42Å; A1212-F1214 VanDerWaalsContact C-N 3.33Å; A1212-F1214 PolarHBondContact O-N 3.26Å; A1212-T1215 WeakPolarHBondContact O-CB 3.45Å; A1212-T1215 PolarHBondContact O-N 3.39Å; A1212-T1215 VanDerWaalsContact O-N 3.08Å; A1212-F1216 HydrophobicContact CB-CE2 4.41Å; A1212-F1216 WeakPolarHBondContact O-CD2 3.45Å; A1212-F1216 PolarHBondContact O-N 3.22Å |
| 1213 | L | 75 | Confident | 75.1 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -42.5 | 176.8 | -74.4 | 176.1 | 0 | 0 | 0 | 112.1 | L1170 L1195 A1207 S1209 K1210 T1215 F1216 V1217 | L1170-L1213 HydrophobicContact CD2-CD2 4.42Å; L1195-L1213 HydrophobicContact CD2-CD2 4.15Å; A1207-L1213 WeakPolarHBondContact O-CD1 3.4Å; S1209-L1213 PolarHBondContact O-N 3.47Å; S1209-L1213 VanDerWaalsContact O-N 3.09Å; K1210-L1213 PolarHBondContact O-N 2.79Å; L1213-T1215 VanDerWaalsContact C-N 3.29Å; L1213-T1215 PolarHBondContact O-N 2.99Å; L1213-F1216 PolarHBondContact O-N 3.36Å; L1213-V1217 WeakPolarHBondContact O-CB 3.34Å; L1213-V1217 WeakPolarHBondContact O-CG2 3.1Å; L1213-V1217 PolarHBondContact O-N 2.86Å |
| 1214 | F | 78.8 | Confident | 75.6 | Confident | 88 Ų | 88 | 53.3 Ų | 53.3 | 39% | 0.386 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 174.3 | -96.6 | -72.1 | 0 | 0 | 0 | 111.9 | C1177 V1179 K1210 E1211 A1212 G1218 | C1177-F1214 HydrophobicContact CB-CD1 4.17Å; C1177-F1214 HydrophobicContact CB-CD2 4.47Å; C1177-F1214 HydrophobicContact CB-CE1 3.6Å; C1177-F1214 HydrophobicContact CB-CE2 3.92Å; C1177-F1214 HydrophobicContact CB-CZ 3.48Å; C1177-F1214 VanDerWaalsContact CB-CZ 3.48Å; C1177-F1214 WeakPolarHBondContact O-CE1 3.47Å; C1177-F1214 WeakPolarHBondContact SG-CE2 3.42Å; V1179-F1214 HydrophobicContact CG2-CD1 4.47Å; V1179-F1214 HydrophobicContact CG2-CE1 4.2Å; K1210-F1214 HydrophobicContact CB-CD2 4.43Å; K1210-F1214 WeakPolarHBondContact O-CB 3.34Å; K1210-F1214 WeakPolarHBondContact O-CD2 3.39Å; K1210-F1214 PolarHBondContact O-N 2.88Å; E1211-F1214 PolarHBondContact O-N 2.55Å; A1212-F1214 VanDerWaalsContact C-N 3.33Å; A1212-F1214 PolarHBondContact O-N 3.26Å; F1214-G1218 PolarHBondContact O-N 3.03Å |
| 1215 | T | 79.2 | Confident | 76.3 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 178.2 | -58 | 0 | 0 | 0 | 0 | 111.3 | E1211 A1212 L1213 G1218 T1219 H1279 L1283 | E1211-T1215 PolarHBondContact O-N 3.37Å; E1211-T1215 PolarHBondContact O-OG1 2.75Å; A1212-T1215 WeakPolarHBondContact O-CB 3.45Å; A1212-T1215 PolarHBondContact O-N 3.39Å; A1212-T1215 VanDerWaalsContact O-N 3.08Å; L1213-T1215 VanDerWaalsContact C-N 3.29Å; L1213-T1215 PolarHBondContact O-N 2.99Å; T1215-G1218 PolarHBondContact O-N 3.42Å; T1215-T1219 PolarHBondContact O-N 3.34Å; T1215-T1219 VanDerWaalsContact O-N 3.08Å; T1215-T1219 PolarHBondContact O-OG1 3.47Å; T1215-H1279 HydrophobicContact CG2-CB 4.42Å; T1215-L1283 HydrophobicContact CG2-CD1 4.23Å; T1215-L1283 HydrophobicContact CG2-CD2 4.24Å; T1215-L1283 HydrophobicContact CG2-CG 4.43Å |
| 1216 | F | 83.9 | Confident | 77.2 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -39.1 | 179.3 | -68.1 | -68.3 | 0 | 0 | 0 | 112.8 | Y1194 L1195 L1203 V1204 A1212 L1213 G1218 T1219 F1220 A1282 L1286 | Y1194-F1216 HydrophobicContact CE1-CB 4.1Å; Y1194-F1216 WeakPolarHBondContact OH-CD1 3.36Å; L1195-F1216 HydrophobicContact CD2-CB 4.02Å; L1203-F1216 HydrophobicContact CB-CZ 4.09Å; V1204-F1216 HydrophobicContact CG2-CD2 3.64Å; V1204-F1216 HydrophobicContact CG2-CE2 3.24Å; V1204-F1216 HydrophobicContact CG2-CZ 4.13Å; A1212-F1216 HydrophobicContact CB-CE2 4.41Å; A1212-F1216 WeakPolarHBondContact O-CD2 3.45Å; A1212-F1216 PolarHBondContact O-N 3.22Å; L1213-F1216 PolarHBondContact O-N 3.36Å; F1216-G1218 VanDerWaalsContact C-N 3.3Å; F1216-G1218 PolarHBondContact O-N 3.12Å; F1216-T1219 WeakPolarHBondContact O-CB 3.09Å; F1216-T1219 PolarHBondContact O-N 3.24Å; F1216-F1220 PolarHBondContact O-N 3.45Å; F1216-A1282 HydrophobicContact CZ-CB 4.23Å; F1216-L1286 HydrophobicContact CD1-CD1 4.47Å; F1216-L1286 HydrophobicContact CD1-CD2 3.97Å; F1216-L1286 HydrophobicContact CE1-CB 4.42Å; F1216-L1286 HydrophobicContact CE1-CD1 4.25Å; F1216-L1286 HydrophobicContact CE1-CD2 3.94Å; F1216-L1286 HydrophobicContact CE1-CG 4.44Å |
| 1217 | V | 86 | Confident | 78.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 172.6 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L1174 V1179 L1191 L1195 L1213 T1219 F1220 D1221 | L1174-V1217 HydrophobicContact CD2-CG2 3.45Å; L1174-V1217 VanDerWaalsContact CD2-CG2 3.45Å; V1179-V1217 HydrophobicContact CB-CG1 3.89Å; V1179-V1217 HydrophobicContact CG1-CG1 3.77Å; V1179-V1217 HydrophobicContact CG2-CG1 4.2Å; L1191-V1217 HydrophobicContact CD1-CG2 4.44Å; L1195-V1217 HydrophobicContact CD1-CG2 4.13Å; L1195-V1217 HydrophobicContact CD2-CG2 4.2Å; L1213-V1217 WeakPolarHBondContact O-CB 3.34Å; L1213-V1217 WeakPolarHBondContact O-CG2 3.1Å; L1213-V1217 PolarHBondContact O-N 2.86Å; V1217-T1219 VanDerWaalsContact C-N 3.32Å; V1217-T1219 PolarHBondContact O-N 3.31Å; V1217-F1220 WeakPolarHBondContact O-CB 3.47Å; V1217-F1220 PolarHBondContact O-N 2.88Å; V1217-D1221 PolarHBondContact O-N 2.7Å |
| 1218 | G | 83.9 | Confident | 79.2 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1214 T1215 F1216 F1220 D1221 R1222 | F1214-G1218 PolarHBondContact O-N 3.03Å; T1215-G1218 PolarHBondContact O-N 3.42Å; F1216-G1218 VanDerWaalsContact C-N 3.3Å; F1216-G1218 PolarHBondContact O-N 3.12Å; G1218-F1220 VanDerWaalsContact C-N 3.35Å; G1218-D1221 PolarHBondContact O-N 3.1Å; G1218-R1222 PolarHBondContact O-N 3.02Å |
| 1219 | T | 85.1 | Confident | 80 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 13% | 0.129 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 173.4 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | T1215 F1216 V1217 R1222 F1223 L1264 | T1215-T1219 PolarHBondContact O-N 3.34Å; T1215-T1219 VanDerWaalsContact O-N 3.08Å; T1215-T1219 PolarHBondContact O-OG1 3.47Å; F1216-T1219 WeakPolarHBondContact O-CB 3.09Å; F1216-T1219 PolarHBondContact O-N 3.24Å; V1217-T1219 VanDerWaalsContact C-N 3.32Å; V1217-T1219 PolarHBondContact O-N 3.31Å; T1219-R1222 PolarHBondContact O-N 2.83Å; T1219-F1223 PolarHBondContact O-N 2.84Å; T1219-L1264 HydrophobicContact CG2-CD2 3.43Å; T1219-L1264 VanDerWaalsContact CG2-CD2 3.43Å |
| 1220 | F | 88.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 174.9 | -171.1 | -100.1 | 0 | 0 | 0 | 112.2 | I1187 V1190 L1191 F1216 V1217 G1218 R1222 F1223 L1224 F1260 | I1187-F1220 HydrophobicContact CG2-CE1 3.69Å; I1187-F1220 HydrophobicContact CG2-CZ 4.04Å; V1190-F1220 HydrophobicContact CG1-CE2 4.14Å; V1190-F1220 HydrophobicContact CG1-CZ 4.33Å; L1191-F1220 HydrophobicContact CB-CD1 4.33Å; L1191-F1220 HydrophobicContact CB-CE1 4Å; L1191-F1220 HydrophobicContact CB-CZ 4.23Å; L1191-F1220 HydrophobicContact CD1-CB 4.01Å; L1191-F1220 HydrophobicContact CD1-CD1 3.83Å; L1191-F1220 HydrophobicContact CD1-CD2 4.39Å; L1191-F1220 HydrophobicContact CD1-CE1 4.35Å; L1191-F1220 HydrophobicContact CD1-CG 3.83Å; L1191-F1220 HydrophobicContact CG-CD1 4.45Å; F1216-F1220 PolarHBondContact O-N 3.45Å; V1217-F1220 WeakPolarHBondContact O-CB 3.47Å; V1217-F1220 PolarHBondContact O-N 2.88Å; G1218-F1220 VanDerWaalsContact C-N 3.35Å; F1220-R1222 PolarHBondContact O-N 3.29Å; F1220-F1223 HydrophobicContact CD2-CD1 4.49Å; F1220-F1223 HydrophobicContact CE2-CD1 4.46Å; F1220-F1223 WeakPolarHBondContact O-CB 3.5Å; F1220-F1223 PolarHBondContact O-N 3.1Å; F1220-L1224 HydrophobicContact CD1-CD1 3.93Å; F1220-L1224 HydrophobicContact CD1-CG 4.22Å; F1220-L1224 HydrophobicContact CE1-CD1 3.61Å; F1220-L1224 HydrophobicContact CE1-CD2 4.33Å; F1220-L1224 HydrophobicContact CE1-CG 4.04Å; F1220-L1224 HydrophobicContact CZ-CD1 4.41Å; F1220-L1224 HydrophobicContact CZ-CD2 4.36Å; F1220-L1224 WeakPolarHBondContact O-CG 3.34Å; F1220-L1224 PolarHBondContact O-N 3.27Å; F1220-F1260 HydrophobicContact CB-CE2 4.21Å; F1220-F1260 HydrophobicContact CB-CZ 3.99Å; F1220-F1260 AromaticContact CD2-CD1 3.8Å; F1220-F1260 HydrophobicContact CD2-CD1 3.8Å; F1220-F1260 AromaticContact CD2-CD2 3.87Å; F1220-F1260 HydrophobicContact CD2-CD2 3.87Å; F1220-F1260 AromaticContact CD2-CE1 3.64Å; F1220-F1260 HydrophobicContact CD2-CE1 3.64Å; F1220-F1260 AromaticContact CD2-CE2 3.71Å; F1220-F1260 HydrophobicContact CD2-CE2 3.71Å; F1220-F1260 AromaticContact CD2-CG 3.9Å; F1220-F1260 HydrophobicContact CD2-CG 3.9Å; F1220-F1260 AromaticContact CD2-CZ 3.59Å; F1220-F1260 HydrophobicContact CD2-CZ 3.59Å; F1220-F1260 HydrophobicContact CE2-CD1 4.06Å; F1220-F1260 HydrophobicContact CE2-CD2 4.36Å; F1220-F1260 HydrophobicContact CE2-CE1 4.33Å; F1220-F1260 HydrophobicContact CE2-CG 4.07Å; F1220-F1260 HydrophobicContact CG-CE2 4.39Å; F1220-F1260 HydrophobicContact CG-CZ 4.29Å |
| 1221 | D | 85.2 | Confident | 79.6 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175.2 | -179.8 | 55.1 | 0 | 0 | 0 | 112 | Y1183 V1217 G1218 L1224 K1225 | Y1183-D1221 PolarHBondContact OH-OD1 2.91Å; Y1183-D1221 VanDerWaalsContact OH-OD1 3.11Å; V1217-D1221 PolarHBondContact O-N 2.7Å; G1218-D1221 PolarHBondContact O-N 3.1Å; D1221-L1224 PolarHBondContact O-N 2.87Å; D1221-K1225 WeakPolarHBondContact O-CG 3.16Å; D1221-K1225 PolarHBondContact O-N 3.05Å; D1221-K1225 WeakPolarHBondContact OD2-CE 3.36Å; D1221-K1225 IonicContact OD2-NZ 3.42Å; D1221-K1225 PolarHBondContact OD2-NZ 3.01Å |
| 1222 | R | 86.5 | Confident | 78.8 | Confident | 132 Ų | 132 | 52.6 Ų | 52.6 | 50% | 0.498 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 173.2 | -168.8 | -174.2 | -61.1 | 170.5 | 1.1 | 111.5 | G1218 T1219 F1220 L1224 K1225 D1226 Y1263 | G1218-R1222 PolarHBondContact O-N 3.02Å; T1219-R1222 PolarHBondContact O-N 2.83Å; F1220-R1222 PolarHBondContact O-N 3.29Å; R1222-L1224 VanDerWaalsContact C-N 3.32Å; R1222-L1224 PolarHBondContact O-N 2.82Å; R1222-K1225 WeakPolarHBondContact O-CB 3.45Å; R1222-K1225 PolarHBondContact O-N 2.7Å; R1222-K1225 VanDerWaalsContact O-N 3.14Å; R1222-D1226 VanDerWaalsContact O-CG 3.29Å; R1222-D1226 PolarHBondContact O-N 2.87Å; R1222-Y1263 WeakPolarHBondContact CD-OH 3.39Å; R1222-Y1263 WeakPolarHBondContact CG-OH 3.22Å |
| 1223 | F | 89.1 | Confident | 77.7 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.2 | -45.7 | 173.7 | 161.5 | -108.9 | 0 | 0 | 0 | 112.3 | T1219 F1220 K1225 D1226 L1227 L1256 K1259 F1260 Y1263 | T1219-F1223 PolarHBondContact O-N 2.84Å; F1220-F1223 HydrophobicContact CD2-CD1 4.49Å; F1220-F1223 HydrophobicContact CE2-CD1 4.46Å; F1220-F1223 WeakPolarHBondContact O-CB 3.5Å; F1220-F1223 PolarHBondContact O-N 3.1Å; F1223-K1225 VanDerWaalsContact C-N 3.3Å; F1223-K1225 PolarHBondContact O-N 2.59Å; F1223-D1226 PolarHBondContact O-N 3.11Å; F1223-L1227 HydrophobicContact CE1-CD2 4.44Å; F1223-L1227 HydrophobicContact CZ-CD2 4.13Å; F1223-L1227 VanDerWaalsContact O-CB 3.23Å; F1223-L1227 WeakPolarHBondContact O-CB 3.45Å; F1223-L1227 PolarHBondContact O-N 3.27Å; F1223-L1256 HydrophobicContact CE1-CD1 3.78Å; F1223-L1256 HydrophobicContact CZ-CD1 4.06Å; F1223-K1259 HydrophobicContact CE2-CB 4.47Å; F1223-K1259 HydrophobicContact CZ-CB 4.19Å; F1223-F1260 HydrophobicContact CB-CD2 3.65Å; F1223-F1260 HydrophobicContact CB-CE2 3.76Å; F1223-F1260 HydrophobicContact CD1-CB 4.09Å; F1223-F1260 AromaticContact CD1-CD2 3.41Å; F1223-F1260 HydrophobicContact CD1-CD2 3.41Å; F1223-F1260 VanDerWaalsContact CD1-CD2 3.41Å; F1223-F1260 HydrophobicContact CD1-CE2 4.21Å; F1223-F1260 HydrophobicContact CD1-CG 4.08Å; F1223-F1260 HydrophobicContact CD2-CD2 4.05Å; F1223-F1260 HydrophobicContact CE1-CB 3.77Å; F1223-F1260 HydrophobicContact CE1-CD2 4.01Å; F1223-F1260 HydrophobicContact CE1-CG 4.26Å; F1223-F1260 HydrophobicContact CE2-CB 4.45Å; F1223-F1260 AromaticContact CG-CD2 3.42Å; F1223-F1260 HydrophobicContact CG-CD2 3.42Å; F1223-F1260 VanDerWaalsContact CG-CD2 3.42Å; F1223-F1260 HydrophobicContact CG-CE2 4.07Å; F1223-F1260 HydrophobicContact CG-CG 4.41Å; F1223-F1260 HydrophobicContact CZ-CB 3.96Å; F1223-Y1263 HydrophobicContact CB-CD1 3.74Å; F1223-Y1263 HydrophobicContact CB-CE1 3.72Å; F1223-Y1263 HydrophobicContact CB-CG 4.21Å; F1223-Y1263 AromaticContact CD2-CD1 3.95Å; F1223-Y1263 HydrophobicContact CD2-CD1 3.95Å; F1223-Y1263 AromaticContact CD2-CD2 3.87Å; F1223-Y1263 HydrophobicContact CD2-CD2 3.87Å; F1223-Y1263 HydrophobicContact CD2-CE2 4.48Å; F1223-Y1263 AromaticContact CD2-CG 3.55Å; F1223-Y1263 HydrophobicContact CD2-CG 3.55Å; F1223-Y1263 HydrophobicContact CE2-CG 4.39Å; F1223-Y1263 HydrophobicContact CG-CD1 4.23Å; F1223-Y1263 HydrophobicContact CG-CG 4.29Å |
| 1224 | L | 86.6 | Confident | 76.4 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.3 | -35.1 | 178.7 | -66.1 | -176.8 | 0 | 0 | 0 | 112 | Y1183 I1187 F1220 D1221 R1222 K1228 F1246 I1248 | Y1183-L1224 HydrophobicContact CD1-CD1 4.16Å; Y1183-L1224 HydrophobicContact CE1-CD1 3.6Å; Y1183-L1224 HydrophobicContact CE2-CD1 4.46Å; I1187-L1224 HydrophobicContact CG2-CD1 3.95Å; F1220-L1224 HydrophobicContact CD1-CD1 3.93Å; F1220-L1224 HydrophobicContact CD1-CG 4.22Å; F1220-L1224 HydrophobicContact CE1-CD1 3.61Å; F1220-L1224 HydrophobicContact CE1-CD2 4.33Å; F1220-L1224 HydrophobicContact CE1-CG 4.04Å; F1220-L1224 HydrophobicContact CZ-CD1 4.41Å; F1220-L1224 HydrophobicContact CZ-CD2 4.36Å; F1220-L1224 WeakPolarHBondContact O-CG 3.34Å; F1220-L1224 PolarHBondContact O-N 3.27Å; D1221-L1224 PolarHBondContact O-N 2.87Å; R1222-L1224 VanDerWaalsContact C-N 3.32Å; R1222-L1224 PolarHBondContact O-N 2.82Å; L1224-K1228 VanDerWaalsContact O-CG 3.26Å; L1224-K1228 WeakPolarHBondContact O-CG 3.43Å; L1224-K1228 PolarHBondContact O-N 3.33Å; L1224-F1246 HydrophobicContact CB-CE1 4.33Å; L1224-F1246 HydrophobicContact CD1-CD1 4.45Å; L1224-F1246 HydrophobicContact CD1-CE1 4.23Å; L1224-F1246 HydrophobicContact CD2-CE1 4.24Å; L1224-I1248 HydrophobicContact CD2-CD1 3.86Å |
| 1225 | K | 83.4 | Confident | 74.9 | Confident | 114 Ų | 114 | 63 Ų | 63 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 172.6 | -73.7 | 167 | 174.7 | 164.3 | 0 | 111.8 | D1221 R1222 F1223 L1227 K1228 S1229 | D1221-K1225 WeakPolarHBondContact O-CG 3.16Å; D1221-K1225 PolarHBondContact O-N 3.05Å; D1221-K1225 WeakPolarHBondContact OD2-CE 3.36Å; D1221-K1225 IonicContact OD2-NZ 3.42Å; D1221-K1225 PolarHBondContact OD2-NZ 3.01Å; R1222-K1225 WeakPolarHBondContact O-CB 3.45Å; R1222-K1225 PolarHBondContact O-N 2.7Å; R1222-K1225 VanDerWaalsContact O-N 3.14Å; F1223-K1225 VanDerWaalsContact C-N 3.3Å; F1223-K1225 PolarHBondContact O-N 2.59Å; K1225-L1227 VanDerWaalsContact C-N 3.31Å; K1225-L1227 PolarHBondContact O-N 2.83Å; K1225-K1228 WeakPolarHBondContact O-CB 3.38Å; K1225-K1228 PolarHBondContact O-N 2.99Å; K1225-K1228 VanDerWaalsContact O-N 3.11Å; K1225-S1229 PolarHBondContact O-N 3.37Å; K1225-S1229 PolarHBondContact O-OG 2.78Å |
| 1226 | D | 83.2 | Confident | 73.4 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 179 | -67.5 | -7.1 | 0 | 0 | 0 | 111.1 | R1222 F1223 K1228 S1229 S1230 Y1263 | R1222-D1226 VanDerWaalsContact O-CG 3.29Å; R1222-D1226 PolarHBondContact O-N 2.87Å; F1223-D1226 PolarHBondContact O-N 3.11Å; D1226-K1228 VanDerWaalsContact C-N 3.33Å; D1226-K1228 PolarHBondContact O-N 3.25Å; D1226-S1229 WeakPolarHBondContact CA-OG 3.3Å; D1226-S1229 PolarHBondContact O-N 2.88Å; D1226-S1229 PolarHBondContact O-OG 3.11Å; D1226-S1230 PolarHBondContact O-N 3.27Å; D1226-Y1263 HydrophobicContact CB-CE2 4.12Å; D1226-Y1263 WeakPolarHBondContact OD2-CE2 3.5Å; D1226-Y1263 VanDerWaalsContact OD2-CZ 3.25Å; D1226-Y1263 PolarHBondContact OD2-OH 3.09Å |
| 1227 | L | 82.1 | Confident | 71.9 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 172.8 | -171.3 | 67.8 | 0 | 0 | 0 | 110.4 | F1223 K1225 S1229 S1230 L1233 I1248 L1256 | F1223-L1227 HydrophobicContact CE1-CD2 4.44Å; F1223-L1227 HydrophobicContact CZ-CD2 4.13Å; F1223-L1227 VanDerWaalsContact O-CB 3.23Å; F1223-L1227 WeakPolarHBondContact O-CB 3.45Å; F1223-L1227 PolarHBondContact O-N 3.27Å; K1225-L1227 VanDerWaalsContact C-N 3.31Å; K1225-L1227 PolarHBondContact O-N 2.83Å; L1227-S1229 VanDerWaalsContact C-N 3.34Å; L1227-S1229 PolarHBondContact O-N 3.26Å; L1227-S1230 WeakPolarHBondContact O-CB 3.22Å; L1227-S1230 PolarHBondContact O-N 2.75Å; L1227-L1233 HydrophobicContact CD1-CD1 4.45Å; L1227-L1233 HydrophobicContact CG-CD1 4.3Å; L1227-L1233 WeakPolarHBondContact O-CD1 3.4Å; L1227-I1248 HydrophobicContact CD2-CD1 3.7Å; L1227-L1256 HydrophobicContact CD2-CD1 4.3Å |
| 1228 | K | 74.5 | Confident | 70.3 | Confident | 96 Ų | 96 | 74.8 Ų | 74.8 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 174.8 | -74.5 | 169.7 | 177.3 | 179.5 | 0 | 113.1 | L1224 K1225 D1226 S1230 I1238 F1246 | L1224-K1228 VanDerWaalsContact O-CG 3.26Å; L1224-K1228 WeakPolarHBondContact O-CG 3.43Å; L1224-K1228 PolarHBondContact O-N 3.33Å; K1225-K1228 WeakPolarHBondContact O-CB 3.38Å; K1225-K1228 PolarHBondContact O-N 2.99Å; K1225-K1228 VanDerWaalsContact O-N 3.11Å; D1226-K1228 VanDerWaalsContact C-N 3.33Å; D1226-K1228 PolarHBondContact O-N 3.25Å; K1228-S1230 VanDerWaalsContact C-N 3.28Å; K1228-I1238 HydrophobicContact CB-CD1 4.13Å; K1228-I1238 HydrophobicContact CG-CD1 4.07Å; K1228-F1246 HydrophobicContact CD-CE2 4.09Å; K1228-F1246 HydrophobicContact CD-CZ 4.22Å; K1228-F1246 HydrophobicContact CG-CE2 3.94Å; K1228-F1246 HydrophobicContact CG-CZ 3.89Å |
| 1229 | S | 71.8 | Confident | 69.1 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 61% | 0.608 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -80.9 | -6 | 178.9 | 55.8 | 0 | 0 | 0 | 0 | 114 | K1225 D1226 L1227 P1231 | K1225-S1229 PolarHBondContact O-N 3.37Å; K1225-S1229 PolarHBondContact O-OG 2.78Å; D1226-S1229 WeakPolarHBondContact CA-OG 3.3Å; D1226-S1229 PolarHBondContact O-N 2.88Å; D1226-S1229 PolarHBondContact O-OG 3.11Å; L1227-S1229 VanDerWaalsContact C-N 3.34Å; L1227-S1229 PolarHBondContact O-N 3.26Å; S1229-P1231 WeakPolarHBondContact O-CD 3.33Å |
| 1230 | S | 68.9 | Low | 68 | Low | 43 Ų | 43 | 79.9 Ų | 79.9 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | trans | -65.3 | 122.2 | -175.6 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | D1226 L1227 K1228 Q1232 L1233 | D1226-S1230 PolarHBondContact O-N 3.27Å; L1227-S1230 WeakPolarHBondContact O-CB 3.22Å; L1227-S1230 PolarHBondContact O-N 2.75Å; K1228-S1230 VanDerWaalsContact C-N 3.28Å; S1230-Q1232 PolarHBondContact O-N 3.27Å; S1230-L1233 PolarHBondContact O-N 3.11Å; S1230-L1233 VanDerWaalsContact O-N 3.15Å | ||
| 1231 | P | 57.3 | Low | 66.8 | Low | 131 Ų | 131 | 82.4 Ų | 82.4 | 85% | 0.851 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.3 | 179.9 | 25.1 | -33.1 | 0 | 0 | 0 | 113.3 | S1229 L1233 | S1229-P1231 WeakPolarHBondContact O-CD 3.33Å; P1231-L1233 PolarHBondContact O-N 2.87Å |
| 1232 | Q | 52.9 | Low | 65.9 | Low | 176 Ų | 176 | 90.5 Ų | 90.5 | 82% | 0.822 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.5 | 176.7 | -58.7 | -151.1 | 8.8 | 0 | 0 | 113.8 | S1230 | S1230-Q1232 PolarHBondContact O-N 3.27Š|
| 1233 | L | 50 | Low | 64.9 | Low | 27 Ų | 27 | 88.7 Ų | 88.7 | 14% | 0.141 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -98.8 | 122 | 173.2 | -67.2 | 174 | 0 | 0 | 0 | 110 | L1227 S1230 P1231 F1235 F1250 | L1227-L1233 HydrophobicContact CD1-CD1 4.45Å; L1227-L1233 HydrophobicContact CG-CD1 4.3Å; L1227-L1233 WeakPolarHBondContact O-CD1 3.4Å; S1230-L1233 PolarHBondContact O-N 3.11Å; S1230-L1233 VanDerWaalsContact O-N 3.15Å; P1231-L1233 PolarHBondContact O-N 2.87Å; L1233-F1235 PolarHBondContact O-N 3.26Å; L1233-F1250 HydrophobicContact CD1-CE1 4.33Å; L1233-F1250 HydrophobicContact CD1-CZ 3.89Å; L1233-F1250 HydrophobicContact CD2-CD1 4.43Å; L1233-F1250 HydrophobicContact CD2-CD2 4.19Å; L1233-F1250 HydrophobicContact CD2-CE1 3.69Å; L1233-F1250 HydrophobicContact CD2-CE2 3.39Å; L1233-F1250 HydrophobicContact CD2-CZ 3.14Å; L1233-F1250 HydrophobicContact CG-CZ 4.18Å |
| 1234 | P | 47.7 | Very low | 63.9 | Low | 78 Ų | 78 | 90.8 Ų | 90.8 | 51% | 0.506 | 49% | 0.494 | S | S | . | . | trans | -55.1 | 138.2 | 168.3 | -20.2 | 30.3 | 0 | 0 | 0 | 110.3 | D1236 M1237 | P1234-D1236 PolarHBondContact O-N 3.33Å; P1234-M1237 HydrophobicContact CB-CG 4.08Å; P1234-M1237 HydrophobicContact CB-SD 4.17Å; P1234-M1237 HydrophobicContact CG-CG 4.25Å; P1234-M1237 HydrophobicContact CG-SD 3.67Å; P1234-M1237 PolarHBondContact O-N 2.83Å; P1234-M1237 VanDerWaalsContact O-N 3.15Å | ||
| 1235 | F | 47.7 | Very low | 63.2 | Low | 212 Ų | 212 | 93.6 Ų | 93.6 | 93% | 0.93 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -51.7 | -25.7 | -176.7 | -91.7 | -91.1 | 0 | 0 | 0 | 113.9 | L1233 | L1233-F1235 PolarHBondContact O-N 3.26Š|
| 1236 | D | 47.5 | Very low | 62.6 | Low | 153 Ų | 153 | 89 Ų | 89 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -89.8 | 6.9 | -175.3 | -62 | -31.7 | 0 | 0 | 0 | 115.2 | P1234 | P1234-D1236 PolarHBondContact O-N 3.33Š|
| 1237 | M | 52.6 | Low | 61.9 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 35% | 0.345 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -106.4 | -2.8 | -170.6 | -62 | -166.5 | 83.7 | 0 | 0 | 115.9 | P1234 F1250 | P1234-M1237 HydrophobicContact CB-CG 4.08Å; P1234-M1237 HydrophobicContact CB-SD 4.17Å; P1234-M1237 HydrophobicContact CG-CG 4.25Å; P1234-M1237 HydrophobicContact CG-SD 3.67Å; P1234-M1237 PolarHBondContact O-N 2.83Å; P1234-M1237 VanDerWaalsContact O-N 3.15Å; M1237-F1250 HydrophobicContact CB-CD1 4.28Å; M1237-F1250 HydrophobicContact CE-CB 3.61Å; M1237-F1250 HydrophobicContact CE-CD1 4.5Å; M1237-F1250 HydrophobicContact CE-CG 4.23Å |
| 1238 | I | 51.3 | Low | 61.5 | Low | 68 Ų | 68 | 87 Ų | 87 | 35% | 0.349 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 109 | 172.5 | -67.9 | 161.6 | 0 | 0 | 0 | 107.8 | K1228 F1246 | K1228-I1238 HydrophobicContact CB-CD1 4.13Å; K1228-I1238 HydrophobicContact CG-CD1 4.07Å; I1238-F1246 HydrophobicContact CG2-CD2 4.18Å; I1238-F1246 HydrophobicContact CG2-CE2 3.68Å |
| 1239 | T | 59.8 | Low | 61.3 | Low | 62 Ų | 62 | 86.2 Ų | 86.2 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.2 | 179.2 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | V1247 | T1239-V1247 PolarHBondContact O-N 3.08Å |
| 1240 | T | 61.2 | Low | 61.4 | Low | 100 Ų | 100 | 84.7 Ų | 84.7 | 61% | 0.613 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 134.3 | 156.1 | 48.8 | 0 | 0 | 0 | 0 | 108 | K1245 | T1240-K1245 CarbonylContact C-O 3.51Å; T1240-K1245 VanDerWaalsContact CA-O 3.23Å; T1240-K1245 WeakPolarHBondContact CA-O 3.48Å |
| 1241 | D | 63 | Low | 62.1 | Low | 52 Ų | 52 | 83.8 Ų | 83.8 | 28% | 0.278 | 46% | 0.457 | S | S | . | . | trans | -66.1 | 177.6 | 169.9 | 63.3 | 22.9 | 0 | 0 | 0 | 111.8 | T1243 G1244 K1245 V1247 | D1241-T1243 PolarHBondContact O-N 2.83Å; D1241-T1243 VanDerWaalsContact OD1-CA 3.31Å; D1241-T1243 WeakPolarHBondContact OD1-CA 3.22Å; D1241-T1243 WeakPolarHBondContact OD1-CB 3.29Å; D1241-T1243 PolarHBondContact OD1-N 2.68Å; D1241-T1243 PolarHBondContact OD1-OG1 3.38Å; D1241-T1243 PolarHBondContact OD2-OG1 3.1Å; D1241-G1244 PolarHBondContact O-N 2.7Å; D1241-G1244 PolarHBondContact OD1-N 3.12Å; D1241-K1245 PolarHBondContact N-O 3.45Å; D1241-K1245 WeakPolarHBondContact OD1-CB 3.25Å; D1241-K1245 PolarHBondContact OD1-N 3.26Å; D1241-V1247 HydrophobicContact CB-CG2 3.71Å | ||
| 1242 | E | 67.3 | Low | 63.5 | Low | 209 Ų | 209 | 79.1 Ų | 79.1 | 98% | 0.977 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -18.8 | 176.5 | -62.3 | 178.9 | -179.5 | 0 | 0 | 113.5 | ||
| 1243 | T | 65.9 | Low | 65.3 | Low | 95 Ų | 95 | 72.8 Ų | 72.8 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 3.4 | 177.7 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | D1241 K1245 | D1241-T1243 PolarHBondContact O-N 2.83Å; D1241-T1243 VanDerWaalsContact OD1-CA 3.31Å; D1241-T1243 WeakPolarHBondContact OD1-CA 3.22Å; D1241-T1243 WeakPolarHBondContact OD1-CB 3.29Å; D1241-T1243 PolarHBondContact OD1-N 2.68Å; D1241-T1243 PolarHBondContact OD1-OG1 3.38Å; D1241-T1243 PolarHBondContact OD2-OG1 3.1Å; T1243-K1245 VanDerWaalsContact C-N 3.28Å; T1243-K1245 WeakPolarHBondContact OG1-CD 3.32Å; T1243-K1245 WeakPolarHBondContact OG1-CG 3.41Å |
| 1244 | G | 67.4 | Low | 67.2 | Low | 50 Ų | 50 | 71.5 Ų | 71.5 | 52% | 0.515 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 78.6 | 6.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | D1241 | D1241-G1244 PolarHBondContact O-N 2.7Å; D1241-G1244 PolarHBondContact OD1-N 3.12Å |
| 1245 | K | 72 | Confident | 69.2 | Low | 61 Ų | 61 | 70.5 Ų | 70.5 | 27% | 0.265 | 38% | 0.379 | S | S | . | . | trans | -85.1 | 147.4 | -177.6 | -67.4 | 173.4 | -177.7 | 166.2 | 0 | 111.4 | T1240 D1241 T1243 V1247 | T1240-K1245 CarbonylContact C-O 3.51Å; T1240-K1245 VanDerWaalsContact CA-O 3.23Å; T1240-K1245 WeakPolarHBondContact CA-O 3.48Å; D1241-K1245 PolarHBondContact N-O 3.45Å; D1241-K1245 WeakPolarHBondContact OD1-CB 3.25Å; D1241-K1245 PolarHBondContact OD1-N 3.26Å; T1243-K1245 VanDerWaalsContact C-N 3.28Å; T1243-K1245 WeakPolarHBondContact OG1-CD 3.32Å; T1243-K1245 WeakPolarHBondContact OG1-CG 3.41Å; K1245-V1247 PolarHBondContact O-N 2.81Å | ||
| 1246 | F | 70.9 | Confident | 71.3 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 126.1 | 178.9 | 179.6 | -119.9 | 0 | 0 | 0 | 111.3 | N1182 Y1183 N1184 I1187 L1224 K1228 I1238 I1248 | N1182-F1246 WeakPolarHBondContact O-CB 3.26Å; N1182-F1246 PolarHBondContact O-N 2.89Å; Y1183-F1246 HydrophobicContact CD1-CD1 4.5Å; N1184-F1246 PolarHBondContact N-O 3.34Å; I1187-F1246 HydrophobicContact CD1-CD1 3.49Å; I1187-F1246 VanDerWaalsContact CD1-CD1 3.49Å; I1187-F1246 HydrophobicContact CD1-CE1 3.83Å; I1187-F1246 HydrophobicContact CD1-CG 4.38Å; I1187-F1246 WeakPolarHBondContact CD1-O 3.49Å; L1224-F1246 HydrophobicContact CB-CE1 4.33Å; L1224-F1246 HydrophobicContact CD1-CD1 4.45Å; L1224-F1246 HydrophobicContact CD1-CE1 4.23Å; L1224-F1246 HydrophobicContact CD2-CE1 4.24Å; K1228-F1246 HydrophobicContact CD-CE2 4.09Å; K1228-F1246 HydrophobicContact CD-CZ 4.22Å; K1228-F1246 HydrophobicContact CG-CE2 3.94Å; K1228-F1246 HydrophobicContact CG-CZ 3.89Å; I1238-F1246 HydrophobicContact CG2-CD2 4.18Å; I1238-F1246 HydrophobicContact CG2-CE2 3.68Å; F1246-I1248 HydrophobicContact CE1-CD1 3.86Å; F1246-I1248 HydrophobicContact CE1-CG1 3.77Å; F1246-I1248 HydrophobicContact CZ-CD1 4.07Å; F1246-I1248 HydrophobicContact CZ-CG1 3.69Å |
| 1247 | V | 68.9 | Low | 73.5 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.5 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | N1184 T1239 D1241 K1245 | N1184-V1247 HydrophobicContact CB-CG2 3.98Å; T1239-V1247 PolarHBondContact O-N 3.08Å; D1241-V1247 HydrophobicContact CB-CG2 3.71Å; K1245-V1247 PolarHBondContact O-N 2.81Å |
| 1248 | I | 72.2 | Confident | 75.5 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 94.3 | 167.5 | -60.5 | 170.5 | 0 | 0 | 0 | 106.6 | I1187 L1224 L1227 F1246 F1250 L1251 L1256 | I1187-I1248 HydrophobicContact CD1-CD1 4.16Å; I1187-I1248 HydrophobicContact CD1-CG1 4.12Å; I1187-I1248 HydrophobicContact CG1-CD1 4.47Å; L1224-I1248 HydrophobicContact CD2-CD1 3.86Å; L1227-I1248 HydrophobicContact CD2-CD1 3.7Å; F1246-I1248 HydrophobicContact CE1-CD1 3.86Å; F1246-I1248 HydrophobicContact CE1-CG1 3.77Å; F1246-I1248 HydrophobicContact CZ-CD1 4.07Å; F1246-I1248 HydrophobicContact CZ-CG1 3.69Å; I1248-F1250 HydrophobicContact CG2-CD1 3.99Å; I1248-F1250 HydrophobicContact CG2-CE1 3.55Å; I1248-F1250 HydrophobicContact CG2-CE2 4.33Å; I1248-F1250 HydrophobicContact CG2-CZ 3.7Å; I1248-L1251 HydrophobicContact CG2-CB 3.97Å; I1248-L1251 HydrophobicContact CG2-CD1 4.01Å; I1248-L1251 HydrophobicContact CG2-CG 3.97Å; I1248-L1256 HydrophobicContact CD1-CD1 3.7Å; I1248-L1256 HydrophobicContact CD1-CD2 4.22Å |
| 1249 | S | 70.6 | Confident | 77.4 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | trans | -79.3 | -19.5 | -172.5 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1250 | F | 74.6 | Confident | 79.1 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -96.2 | -5.7 | -172.1 | 65.4 | -88.6 | 0 | 0 | 0 | 114.8 | L1233 M1237 I1248 | L1233-F1250 HydrophobicContact CD1-CE1 4.33Å; L1233-F1250 HydrophobicContact CD1-CZ 3.89Å; L1233-F1250 HydrophobicContact CD2-CD1 4.43Å; L1233-F1250 HydrophobicContact CD2-CD2 4.19Å; L1233-F1250 HydrophobicContact CD2-CE1 3.69Å; L1233-F1250 HydrophobicContact CD2-CE2 3.39Å; L1233-F1250 HydrophobicContact CD2-CZ 3.14Å; L1233-F1250 HydrophobicContact CG-CZ 4.18Å; M1237-F1250 HydrophobicContact CB-CD1 4.28Å; M1237-F1250 HydrophobicContact CE-CB 3.61Å; M1237-F1250 HydrophobicContact CE-CD1 4.5Å; M1237-F1250 HydrophobicContact CE-CG 4.23Å; I1248-F1250 HydrophobicContact CG2-CD1 3.99Å; I1248-F1250 HydrophobicContact CG2-CE1 3.55Å; I1248-F1250 HydrophobicContact CG2-CE2 4.33Å; I1248-F1250 HydrophobicContact CG2-CZ 3.7Å |
| 1251 | L | 82.6 | Confident | 80.7 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -115.5 | 135 | 175 | -60.9 | 177.5 | 0 | 0 | 0 | 109.9 | I1248 Q1255 L1256 K1259 | I1248-L1251 HydrophobicContact CG2-CB 3.97Å; I1248-L1251 HydrophobicContact CG2-CD1 4.01Å; I1248-L1251 HydrophobicContact CG2-CG 3.97Å; L1251-Q1255 HydrophobicContact CB-CB 4.13Å; L1251-Q1255 HydrophobicContact CD2-CB 4.12Å; L1251-L1256 HydrophobicContact CB-CB 4.44Å; L1251-L1256 HydrophobicContact CD1-CD1 4.19Å; L1251-K1259 HydrophobicContact CD1-CD 3.82Å; L1251-K1259 HydrophobicContact CD2-CD 4.37Å |
| 1252 | S | 87.3 | Confident | 82.1 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | trans | -64.9 | 162.2 | 164.3 | 93.2 | 0 | 0 | 0 | 0 | 110.6 | E1156 G1254 Q1255 L1256 | E1156-S1252 WeakPolarHBondContact OE2-CB 3.24Å; E1156-S1252 PolarHBondContact OE2-OG 2.81Å; S1252-G1254 PolarHBondContact O-N 2.88Å; S1252-G1254 PolarHBondContact OG-N 2.86Å; S1252-Q1255 PolarHBondContact O-N 2.76Å; S1252-Q1255 VanDerWaalsContact O-N 3.16Å; S1252-Q1255 PolarHBondContact OG-N 3.29Å; S1252-Q1255 VanDerWaalsContact OG-N 3.12Å; S1252-L1256 PolarHBondContact O-N 3.32Å | ||
| 1253 | K | 90 | Very high | 83.3 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 19% | 0.191 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -40.3 | 175.8 | -61.8 | -179.4 | -67.8 | -68.1 | 0 | 110.7 | E1156 I1159 E1160 V1190 L1256 L1257 | E1156-K1253 WeakPolarHBondContact OE1-CB 3.45Å; E1156-K1253 WeakPolarHBondContact OE1-CE 3.29Å; E1156-K1253 WeakPolarHBondContact OE1-CG 3.21Å; E1156-K1253 PolarHBondContact OE1-N 3.48Å; E1156-K1253 IonicContact OE1-NZ 2.77Å; E1156-K1253 PolarHBondContact OE1-NZ 3.41Å; E1156-K1253 WeakPolarHBondContact OE2-CA 3.31Å; E1156-K1253 PolarHBondContact OE2-N 2.9Å; I1159-K1253 HydrophobicContact CD1-CB 4.03Å; I1159-K1253 HydrophobicContact CG2-CB 3.95Å; I1159-K1253 HydrophobicContact CG2-CD 3.86Å; E1160-K1253 IonicContact OE1-NZ 3.25Å; E1160-K1253 PolarHBondContact OE1-NZ 3.28Å; V1190-K1253 HydrophobicContact CG2-CB 4.03Å; V1190-K1253 WeakPolarHBondContact CG2-O 3.46Å; K1253-L1256 PolarHBondContact O-N 2.8Å; K1253-L1257 WeakPolarHBondContact O-CB 3.34Å; K1253-L1257 PolarHBondContact O-N 3.04Å |
| 1254 | G | 90.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1155 E1156 S1252 L1257 M1258 | L1155-G1254 VanDerWaalsContact CD2-CA 3.43Å; L1155-G1254 WeakPolarHBondContact CD2-O 3.33Å; E1156-G1254 PolarHBondContact OE2-N 3.13Å; S1252-G1254 PolarHBondContact O-N 2.88Å; S1252-G1254 PolarHBondContact OG-N 2.86Å; G1254-L1257 PolarHBondContact O-N 3.1Å; G1254-M1258 WeakPolarHBondContact O-CG 3.38Å; G1254-M1258 PolarHBondContact O-N 3.36Å |
| 1255 | Q | 90 | Very high | 85.5 | Confident | 56 Ų | 56 | 28.9 Ų | 28.9 | 26% | 0.262 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65 | -40.3 | 175.9 | -70.4 | 175.6 | -28 | 0 | 0 | 112.2 | M1152 L1251 S1252 M1258 K1259 | M1152-Q1255 HydrophobicContact CB-CG 4.37Å; M1152-Q1255 HydrophobicContact CE-CG 4.05Å; M1152-Q1255 HydrophobicContact CG-CG 4.11Å; M1152-Q1255 HydrophobicContact SD-CG 4.12Å; L1251-Q1255 HydrophobicContact CB-CB 4.13Å; L1251-Q1255 HydrophobicContact CD2-CB 4.12Å; S1252-Q1255 PolarHBondContact O-N 2.76Å; S1252-Q1255 VanDerWaalsContact O-N 3.16Å; S1252-Q1255 PolarHBondContact OG-N 3.29Å; S1252-Q1255 VanDerWaalsContact OG-N 3.12Å; Q1255-M1258 PolarHBondContact O-N 2.99Å; Q1255-K1259 WeakPolarHBondContact O-CB 3.49Å; Q1255-K1259 WeakPolarHBondContact O-CG 3.43Å; Q1255-K1259 PolarHBondContact O-N 3.34Å |
| 1256 | L | 91.5 | Very high | 86.2 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 176 | -177.3 | 62 | 0 | 0 | 0 | 111.1 | I1187 V1190 F1223 L1227 I1248 L1251 S1252 K1253 K1259 F1260 | I1187-L1256 HydrophobicContact CG1-CD2 4.07Å; V1190-L1256 HydrophobicContact CB-CD2 4.33Å; V1190-L1256 HydrophobicContact CG1-CD2 4.44Å; V1190-L1256 HydrophobicContact CG1-CG 4.3Å; V1190-L1256 HydrophobicContact CG2-CB 4.45Å; V1190-L1256 HydrophobicContact CG2-CD2 4.1Å; V1190-L1256 HydrophobicContact CG2-CG 4.47Å; F1223-L1256 HydrophobicContact CE1-CD1 3.78Å; F1223-L1256 HydrophobicContact CZ-CD1 4.06Å; L1227-L1256 HydrophobicContact CD2-CD1 4.3Å; I1248-L1256 HydrophobicContact CD1-CD1 3.7Å; I1248-L1256 HydrophobicContact CD1-CD2 4.22Å; L1251-L1256 HydrophobicContact CB-CB 4.44Å; L1251-L1256 HydrophobicContact CD1-CD1 4.19Å; S1252-L1256 PolarHBondContact O-N 3.32Å; K1253-L1256 PolarHBondContact O-N 2.8Å; L1256-K1259 PolarHBondContact O-N 3.13Å; L1256-F1260 WeakPolarHBondContact O-CB 3.47Å; L1256-F1260 PolarHBondContact O-N 3.34Å |
| 1257 | L | 94.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -51.9 | 175.8 | -176.5 | 70.4 | 0 | 0 | 0 | 111.1 | L1155 I1159 V1190 I1193 K1253 G1254 K1259 F1260 F1261 F1306 L1308 | L1155-L1257 HydrophobicContact CD1-CD2 4.3Å; L1155-L1257 HydrophobicContact CD2-CD2 4.45Å; I1159-L1257 HydrophobicContact CD1-CD2 4.23Å; V1190-L1257 HydrophobicContact CG1-CB 4.11Å; V1190-L1257 HydrophobicContact CG1-CD1 3.95Å; I1193-L1257 HydrophobicContact CG2-CD1 4.09Å; I1193-L1257 HydrophobicContact CG2-CD2 4.28Å; K1253-L1257 WeakPolarHBondContact O-CB 3.34Å; K1253-L1257 PolarHBondContact O-N 3.04Å; G1254-L1257 PolarHBondContact O-N 3.1Å; L1257-K1259 PolarHBondContact O-N 3.41Å; L1257-F1260 PolarHBondContact O-N 3.25Å; L1257-F1261 HydrophobicContact CD1-CD2 3.87Å; L1257-F1261 HydrophobicContact CD1-CE2 3.56Å; L1257-F1261 HydrophobicContact CG-CD2 4.14Å; L1257-F1261 HydrophobicContact CG-CE2 4.22Å; L1257-F1261 WeakPolarHBondContact O-CD2 3.44Å; L1257-F1261 PolarHBondContact O-N 2.86Å; L1257-F1306 HydrophobicContact CD2-CD2 4.48Å; L1257-F1306 HydrophobicContact CD2-CG 4.49Å; L1257-L1308 HydrophobicContact CD2-CD1 4.19Å |
| 1258 | M | 94.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | -179.5 | -69.2 | -56.8 | -75.5 | 0 | 0 | 112.2 | L692 M1152 L1155 G1254 Q1255 F1260 F1261 K1262 Y1294 A1297 F1303 F1306 | L692-M1258 HydrophobicContact CD1-CE 3.38Å; L692-M1258 HydrophobicContact CD2-CE 4.2Å; L692-M1258 HydrophobicContact CG-CE 4.44Å; M1152-M1258 HydrophobicContact CE-CB 3.79Å; M1152-M1258 HydrophobicContact CE-CG 3.81Å; M1152-M1258 HydrophobicContact SD-CG 4.01Å; L1155-M1258 HydrophobicContact CD2-CG 3.7Å; L1155-M1258 HydrophobicContact CD2-SD 4.23Å; G1254-M1258 WeakPolarHBondContact O-CG 3.38Å; G1254-M1258 PolarHBondContact O-N 3.36Å; Q1255-M1258 PolarHBondContact O-N 2.99Å; M1258-F1260 VanDerWaalsContact C-N 3.29Å; M1258-F1260 PolarHBondContact O-N 2.71Å; M1258-F1261 PolarHBondContact O-N 3.15Å; M1258-K1262 WeakPolarHBondContact O-CB 3.42Å; M1258-K1262 PolarHBondContact O-N 3.35Å; M1258-Y1294 HydrophobicContact CB-CE2 4.07Å; M1258-Y1294 HydrophobicContact CE-CD2 3.53Å; M1258-Y1294 HydrophobicContact CE-CE1 4.42Å; M1258-Y1294 HydrophobicContact CE-CE2 3.39Å; M1258-Y1294 HydrophobicContact CE-CG 4.11Å; M1258-Y1294 VanDerWaalsContact O-CE2 3.29Å; M1258-Y1294 WeakPolarHBondContact O-CE2 3.43Å; M1258-Y1294 HydrophobicContact SD-CD2 4.36Å; M1258-Y1294 HydrophobicContact SD-CE2 4.37Å; M1258-A1297 HydrophobicContact CE-CB 4.28Å; M1258-F1303 HydrophobicContact SD-CE1 4.33Å; M1258-F1306 HydrophobicContact CE-CE2 4.41Å; M1258-F1306 HydrophobicContact CE-CZ 4.4Å; M1258-F1306 HydrophobicContact SD-CE2 3.45Å; M1258-F1306 WeakPolarHBondContact SD-CE2 3.5Å; M1258-F1306 HydrophobicContact SD-CZ 3.61Å |
| 1259 | K | 92 | Very high | 84.4 | Confident | 97 Ų | 97 | 32.7 Ų | 32.7 | 42% | 0.422 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.3 | -39.3 | 174.6 | -79.4 | -160.2 | 179.5 | -161.9 | 0 | 112.2 | F1223 L1251 Q1255 L1256 L1257 Y1263 | F1223-K1259 HydrophobicContact CE2-CB 4.47Å; F1223-K1259 HydrophobicContact CZ-CB 4.19Å; L1251-K1259 HydrophobicContact CD1-CD 3.82Å; L1251-K1259 HydrophobicContact CD2-CD 4.37Å; Q1255-K1259 WeakPolarHBondContact O-CB 3.49Å; Q1255-K1259 WeakPolarHBondContact O-CG 3.43Å; Q1255-K1259 PolarHBondContact O-N 3.34Å; L1256-K1259 PolarHBondContact O-N 3.13Å; L1257-K1259 PolarHBondContact O-N 3.41Å; K1259-Y1263 WeakPolarHBondContact O-CB 3.48Å; K1259-Y1263 PolarHBondContact O-N 2.93Å |
| 1260 | F | 94 | Very high | 83.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 176.9 | 178.8 | -121.8 | 0 | 0 | 0 | 112.2 | Y1194 F1220 F1223 L1256 L1257 M1258 K1262 Y1263 L1264 | Y1194-F1260 AromaticContact CD1-CE1 3.71Å; Y1194-F1260 HydrophobicContact CD1-CE1 3.71Å; Y1194-F1260 HydrophobicContact CD1-CZ 4.16Å; Y1194-F1260 HydrophobicContact CD2-CD1 4.38Å; Y1194-F1260 AromaticContact CD2-CE1 3.54Å; Y1194-F1260 HydrophobicContact CD2-CE1 3.54Å; Y1194-F1260 HydrophobicContact CD2-CZ 4.4Å; Y1194-F1260 AromaticContact CE1-CE1 3.86Å; Y1194-F1260 HydrophobicContact CE1-CE1 3.86Å; Y1194-F1260 AromaticContact CE1-CZ 3.9Å; Y1194-F1260 HydrophobicContact CE1-CZ 3.9Å; Y1194-F1260 AromaticContact CE2-CE1 3.69Å; Y1194-F1260 HydrophobicContact CE2-CE1 3.69Å; Y1194-F1260 HydrophobicContact CE2-CZ 4.15Å; Y1194-F1260 HydrophobicContact CG-CD1 4.34Å; Y1194-F1260 AromaticContact CG-CE1 3.52Å; Y1194-F1260 HydrophobicContact CG-CE1 3.52Å; Y1194-F1260 HydrophobicContact CG-CZ 4.38Å; Y1194-F1260 AromaticContact CZ-CE1 3.84Å; Y1194-F1260 AromaticContact CZ-CZ 3.88Å; F1220-F1260 HydrophobicContact CB-CE2 4.21Å; F1220-F1260 HydrophobicContact CB-CZ 3.99Å; F1220-F1260 AromaticContact CD2-CD1 3.8Å; F1220-F1260 HydrophobicContact CD2-CD1 3.8Å; F1220-F1260 AromaticContact CD2-CD2 3.87Å; F1220-F1260 HydrophobicContact CD2-CD2 3.87Å; F1220-F1260 AromaticContact CD2-CE1 3.64Å; F1220-F1260 HydrophobicContact CD2-CE1 3.64Å; F1220-F1260 AromaticContact CD2-CE2 3.71Å; F1220-F1260 HydrophobicContact CD2-CE2 3.71Å; F1220-F1260 AromaticContact CD2-CG 3.9Å; F1220-F1260 HydrophobicContact CD2-CG 3.9Å; F1220-F1260 AromaticContact CD2-CZ 3.59Å; F1220-F1260 HydrophobicContact CD2-CZ 3.59Å; F1220-F1260 HydrophobicContact CE2-CD1 4.06Å; F1220-F1260 HydrophobicContact CE2-CD2 4.36Å; F1220-F1260 HydrophobicContact CE2-CE1 4.33Å; F1220-F1260 HydrophobicContact CE2-CG 4.07Å; F1220-F1260 HydrophobicContact CG-CE2 4.39Å; F1220-F1260 HydrophobicContact CG-CZ 4.29Å; F1223-F1260 HydrophobicContact CB-CD2 3.65Å; F1223-F1260 HydrophobicContact CB-CE2 3.76Å; F1223-F1260 HydrophobicContact CD1-CB 4.09Å; F1223-F1260 AromaticContact CD1-CD2 3.41Å; F1223-F1260 HydrophobicContact CD1-CD2 3.41Å; F1223-F1260 VanDerWaalsContact CD1-CD2 3.41Å; F1223-F1260 HydrophobicContact CD1-CE2 4.21Å; F1223-F1260 HydrophobicContact CD1-CG 4.08Å; F1223-F1260 HydrophobicContact CD2-CD2 4.05Å; F1223-F1260 HydrophobicContact CE1-CB 3.77Å; F1223-F1260 HydrophobicContact CE1-CD2 4.01Å; F1223-F1260 HydrophobicContact CE1-CG 4.26Å; F1223-F1260 HydrophobicContact CE2-CB 4.45Å; F1223-F1260 AromaticContact CG-CD2 3.42Å; F1223-F1260 HydrophobicContact CG-CD2 3.42Å; F1223-F1260 VanDerWaalsContact CG-CD2 3.42Å; F1223-F1260 HydrophobicContact CG-CE2 4.07Å; F1223-F1260 HydrophobicContact CG-CG 4.41Å; F1223-F1260 HydrophobicContact CZ-CB 3.96Å; L1256-F1260 WeakPolarHBondContact O-CB 3.47Å; L1256-F1260 PolarHBondContact O-N 3.34Å; L1257-F1260 PolarHBondContact O-N 3.25Å; M1258-F1260 VanDerWaalsContact C-N 3.29Å; M1258-F1260 PolarHBondContact O-N 2.71Å; F1260-K1262 VanDerWaalsContact C-N 3.32Å; F1260-K1262 PolarHBondContact O-N 3.47Å; F1260-Y1263 HydrophobicContact CD2-CD1 4.46Å; F1260-Y1263 HydrophobicContact CE2-CD1 4.45Å; F1260-Y1263 WeakPolarHBondContact O-CB 3.26Å; F1260-Y1263 PolarHBondContact O-N 2.97Å; F1260-Y1263 VanDerWaalsContact O-N 3.15Å; F1260-L1264 HydrophobicContact CD1-CD1 4.09Å; F1260-L1264 HydrophobicContact CD1-CG 4.48Å; F1260-L1264 HydrophobicContact CD2-CG 4.31Å; F1260-L1264 HydrophobicContact CE1-CD1 3.53Å; F1260-L1264 HydrophobicContact CE1-CD2 4.47Å; F1260-L1264 HydrophobicContact CE1-CG 4.04Å; F1260-L1264 HydrophobicContact CE2-CD1 4.29Å; F1260-L1264 HydrophobicContact CE2-CD2 3.88Å; F1260-L1264 HydrophobicContact CE2-CG 3.87Å; F1260-L1264 HydrophobicContact CZ-CD1 3.66Å; F1260-L1264 HydrophobicContact CZ-CD2 3.73Å; F1260-L1264 HydrophobicContact CZ-CG 3.73Å; F1260-L1264 WeakPolarHBondContact O-CG 3.42Å; F1260-L1264 PolarHBondContact O-N 3.38Å |
| 1261 | F | 94.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 176.9 | -90 | -98.9 | 0 | 0 | 0 | 113.1 | Y1194 W1197 L1257 M1258 G1265 A1290 A1293 Y1294 F1306 | Y1194-F1261 HydrophobicContact CD2-CE2 4.46Å; Y1194-F1261 HydrophobicContact CD2-CZ 4.4Å; W1197-F1261 AromaticContact CD2-CE1 3.73Å; W1197-F1261 HydrophobicContact CD2-CE1 3.73Å; W1197-F1261 AromaticContact CD2-CZ 3.62Å; W1197-F1261 HydrophobicContact CD2-CZ 3.62Å; W1197-F1261 AromaticContact CE2-CE1 3.65Å; W1197-F1261 AromaticContact CE3-CE1 3.8Å; W1197-F1261 HydrophobicContact CE3-CE1 3.8Å; W1197-F1261 AromaticContact CE3-CZ 3.69Å; W1197-F1261 HydrophobicContact CE3-CZ 3.69Å; W1197-F1261 HydrophobicContact CG-CE1 4.44Å; W1197-F1261 AromaticContact CG-CZ 4Å; W1197-F1261 HydrophobicContact CG-CZ 4Å; W1197-F1261 AromaticContact CH2-CE1 3.77Å; W1197-F1261 HydrophobicContact CH2-CE1 3.77Å; W1197-F1261 HydrophobicContact CH2-CZ 4.5Å; W1197-F1261 AromaticContact CZ2-CE1 3.7Å; W1197-F1261 HydrophobicContact CZ2-CE1 3.7Å; W1197-F1261 HydrophobicContact CZ2-CZ 4.45Å; W1197-F1261 AromaticContact CZ3-CE1 3.81Å; W1197-F1261 HydrophobicContact CZ3-CE1 3.81Å; W1197-F1261 HydrophobicContact CZ3-CZ 4.12Å; L1257-F1261 HydrophobicContact CD1-CD2 3.87Å; L1257-F1261 HydrophobicContact CD1-CE2 3.56Å; L1257-F1261 HydrophobicContact CG-CD2 4.14Å; L1257-F1261 HydrophobicContact CG-CE2 4.22Å; L1257-F1261 WeakPolarHBondContact O-CD2 3.44Å; L1257-F1261 PolarHBondContact O-N 2.86Å; M1258-F1261 PolarHBondContact O-N 3.15Å; F1261-G1265 PolarHBondContact O-N 2.83Å; F1261-A1290 HydrophobicContact CD1-CB 3.85Å; F1261-A1290 HydrophobicContact CE1-CB 4.38Å; F1261-A1293 HydrophobicContact CD1-CB 4.31Å; F1261-A1293 HydrophobicContact CE1-CB 4.28Å; F1261-Y1294 HydrophobicContact CB-CD2 4.22Å; F1261-F1306 HydrophobicContact CB-CE1 4.39Å; F1261-F1306 HydrophobicContact CD1-CD1 4.17Å; F1261-F1306 AromaticContact CD1-CE1 3.44Å; F1261-F1306 HydrophobicContact CD1-CE1 3.44Å; F1261-F1306 VanDerWaalsContact CD1-CE1 3.44Å; F1261-F1306 HydrophobicContact CD1-CZ 4.37Å; F1261-F1306 HydrophobicContact CD2-CD1 4.46Å; F1261-F1306 HydrophobicContact CD2-CE1 4.01Å; F1261-F1306 AromaticContact CE1-CD1 3.77Å; F1261-F1306 HydrophobicContact CE1-CD1 3.77Å; F1261-F1306 AromaticContact CE1-CE1 3.52Å; F1261-F1306 HydrophobicContact CE1-CE1 3.52Å; F1261-F1306 HydrophobicContact CE2-CD1 4.12Å; F1261-F1306 HydrophobicContact CE2-CE1 4.1Å; F1261-F1306 HydrophobicContact CG-CD1 4.47Å; F1261-F1306 AromaticContact CG-CE1 3.67Å; F1261-F1306 HydrophobicContact CG-CE1 3.67Å; F1261-F1306 HydrophobicContact CG-CZ 4.31Å; F1261-F1306 AromaticContact CZ-CD1 3.73Å; F1261-F1306 HydrophobicContact CZ-CD1 3.73Å; F1261-F1306 AromaticContact CZ-CE1 3.85Å; F1261-F1306 HydrophobicContact CZ-CE1 3.85Å |
| 1262 | K | 93.5 | Very high | 79.7 | Confident | 62 Ų | 62 | 38.6 Ų | 38.6 | 27% | 0.27 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 169.3 | 179.4 | 168.8 | -179 | 176 | 0 | 111.1 | Y685 D689 M1258 F1260 L1264 G1265 T1266 Y1294 | Y685-K1262 HydrophobicContact CD1-CB 4.29Å; Y685-K1262 HydrophobicContact CD1-CD 3.89Å; Y685-K1262 HydrophobicContact CD1-CG 3.69Å; Y685-K1262 HydrophobicContact CD2-CG 4.25Å; Y685-K1262 HydrophobicContact CE1-CB 4.01Å; Y685-K1262 HydrophobicContact CE1-CD 4.42Å; Y685-K1262 HydrophobicContact CE1-CG 3.74Å; Y685-K1262 HydrophobicContact CE2-CG 4.31Å; Y685-K1262 HydrophobicContact CG-CD 4.03Å; Y685-K1262 HydrophobicContact CG-CG 3.96Å; D689-K1262 IonicContact OD1-NZ 3.4Å; D689-K1262 IonicContact OD2-NZ 3.24Å; D689-K1262 PolarHBondContact OD2-NZ 3.11Å; M1258-K1262 WeakPolarHBondContact O-CB 3.42Å; M1258-K1262 PolarHBondContact O-N 3.35Å; F1260-K1262 VanDerWaalsContact C-N 3.32Å; F1260-K1262 PolarHBondContact O-N 3.47Å; K1262-L1264 PolarHBondContact O-N 2.87Å; K1262-G1265 PolarHBondContact O-N 3.37Å; K1262-T1266 WeakPolarHBondContact O-CG2 3.27Å; K1262-T1266 PolarHBondContact O-N 2.81Å; K1262-T1266 PolarHBondContact O-OG1 3.32Å; K1262-Y1294 HydrophobicContact CB-CD2 4.17Å; K1262-Y1294 HydrophobicContact CB-CE2 3.81Å |
| 1263 | Y | 91.6 | Very high | 77.5 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 11% | 0.114 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.3 | -51 | 175.8 | 174.2 | -90.9 | 0 | 0 | 0 | 111.4 | R1222 F1223 D1226 K1259 F1260 G1265 T1266 Q1267 | R1222-Y1263 WeakPolarHBondContact CD-OH 3.39Å; R1222-Y1263 WeakPolarHBondContact CG-OH 3.22Å; F1223-Y1263 HydrophobicContact CB-CD1 3.74Å; F1223-Y1263 HydrophobicContact CB-CE1 3.72Å; F1223-Y1263 HydrophobicContact CB-CG 4.21Å; F1223-Y1263 AromaticContact CD2-CD1 3.95Å; F1223-Y1263 HydrophobicContact CD2-CD1 3.95Å; F1223-Y1263 AromaticContact CD2-CD2 3.87Å; F1223-Y1263 HydrophobicContact CD2-CD2 3.87Å; F1223-Y1263 HydrophobicContact CD2-CE2 4.48Å; F1223-Y1263 AromaticContact CD2-CG 3.55Å; F1223-Y1263 HydrophobicContact CD2-CG 3.55Å; F1223-Y1263 HydrophobicContact CE2-CG 4.39Å; F1223-Y1263 HydrophobicContact CG-CD1 4.23Å; F1223-Y1263 HydrophobicContact CG-CG 4.29Å; D1226-Y1263 HydrophobicContact CB-CE2 4.12Å; D1226-Y1263 WeakPolarHBondContact OD2-CE2 3.5Å; D1226-Y1263 VanDerWaalsContact OD2-CZ 3.25Å; D1226-Y1263 PolarHBondContact OD2-OH 3.09Å; K1259-Y1263 WeakPolarHBondContact O-CB 3.48Å; K1259-Y1263 PolarHBondContact O-N 2.93Å; F1260-Y1263 HydrophobicContact CD2-CD1 4.46Å; F1260-Y1263 HydrophobicContact CE2-CD1 4.45Å; F1260-Y1263 WeakPolarHBondContact O-CB 3.26Å; F1260-Y1263 PolarHBondContact O-N 2.97Å; F1260-Y1263 VanDerWaalsContact O-N 3.15Å; Y1263-G1265 VanDerWaalsContact C-N 3.34Å; Y1263-G1265 PolarHBondContact O-N 3.34Å; Y1263-T1266 WeakPolarHBondContact CA-OG1 3.42Å; Y1263-T1266 PolarHBondContact O-N 3.4Å; Y1263-T1266 VanDerWaalsContact O-N 3.12Å; Y1263-T1266 PolarHBondContact O-OG1 2.87Å; Y1263-Q1267 HydrophobicContact CD1-CG 4.28Å; Y1263-Q1267 HydrophobicContact CE1-CG 3.99Å; Y1263-Q1267 VanDerWaalsContact O-CG 3.31Å; Y1263-Q1267 WeakPolarHBondContact O-CG 3.22Å; Y1263-Q1267 PolarHBondContact O-N 2.87Å |
| 1264 | L | 91.3 | Very high | 75.1 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 176.5 | -72.4 | 180 | 0 | 0 | 0 | 111.9 | Y1194 T1219 F1260 K1262 T1266 Q1267 L1286 V1287 A1290 | Y1194-L1264 HydrophobicContact CD2-CD1 4.34Å; Y1194-L1264 HydrophobicContact CE2-CD1 3.7Å; T1219-L1264 HydrophobicContact CG2-CD2 3.43Å; T1219-L1264 VanDerWaalsContact CG2-CD2 3.43Å; F1260-L1264 HydrophobicContact CD1-CD1 4.09Å; F1260-L1264 HydrophobicContact CD1-CG 4.48Å; F1260-L1264 HydrophobicContact CD2-CG 4.31Å; F1260-L1264 HydrophobicContact CE1-CD1 3.53Å; F1260-L1264 HydrophobicContact CE1-CD2 4.47Å; F1260-L1264 HydrophobicContact CE1-CG 4.04Å; F1260-L1264 HydrophobicContact CE2-CD1 4.29Å; F1260-L1264 HydrophobicContact CE2-CD2 3.88Å; F1260-L1264 HydrophobicContact CE2-CG 3.87Å; F1260-L1264 HydrophobicContact CZ-CD1 3.66Å; F1260-L1264 HydrophobicContact CZ-CD2 3.73Å; F1260-L1264 HydrophobicContact CZ-CG 3.73Å; F1260-L1264 WeakPolarHBondContact O-CG 3.42Å; F1260-L1264 PolarHBondContact O-N 3.38Å; K1262-L1264 PolarHBondContact O-N 2.87Å; L1264-T1266 VanDerWaalsContact C-N 3.26Å; L1264-T1266 PolarHBondContact O-N 3.39Å; L1264-Q1267 PolarHBondContact O-N 3.31Å; L1264-L1286 HydrophobicContact CD1-CD1 4.23Å; L1264-L1286 HydrophobicContact CD1-CG 4.47Å; L1264-L1286 HydrophobicContact CD2-CD2 3.88Å; L1264-L1286 HydrophobicContact CD2-CG 4.39Å; L1264-V1287 WeakPolarHBondContact O-CG2 3.44Å; L1264-A1290 HydrophobicContact CB-CB 3.56Å; L1264-A1290 HydrophobicContact CD1-CB 4.04Å; L1264-A1290 HydrophobicContact CG-CB 4.49Å |
| 1265 | G | 89 | Confident | 72.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -24.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y685 R976 F1261 K1262 Y1263 V1287 | Y685-G1265 VanDerWaalsContact OH-CA 3.31Å; Y685-G1265 WeakPolarHBondContact OH-CA 3.43Å; R976-G1265 PolarHBondContact NH2-O 2.85Å; F1261-G1265 PolarHBondContact O-N 2.83Å; K1262-G1265 PolarHBondContact O-N 3.37Å; Y1263-G1265 VanDerWaalsContact C-N 3.34Å; Y1263-G1265 PolarHBondContact O-N 3.34Å; G1265-V1287 WeakPolarHBondContact O-CG1 3.4Å |
| 1266 | T | 85.8 | Confident | 70.3 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -82.9 | -16.2 | 177.4 | 50.6 | 0 | 0 | 0 | 0 | 115.3 | N681 Y685 K1262 Y1263 L1264 A1268 | N681-T1266 HydrophobicContact CB-CG2 4.34Å; Y685-T1266 HydrophobicContact CD2-CG2 3.97Å; Y685-T1266 HydrophobicContact CE2-CG2 3.5Å; K1262-T1266 WeakPolarHBondContact O-CG2 3.27Å; K1262-T1266 PolarHBondContact O-N 2.81Å; K1262-T1266 PolarHBondContact O-OG1 3.32Å; Y1263-T1266 WeakPolarHBondContact CA-OG1 3.42Å; Y1263-T1266 PolarHBondContact O-N 3.4Å; Y1263-T1266 VanDerWaalsContact O-N 3.12Å; Y1263-T1266 PolarHBondContact O-OG1 2.87Å; L1264-T1266 VanDerWaalsContact C-N 3.26Å; L1264-T1266 PolarHBondContact O-N 3.39Å; T1266-A1268 PolarHBondContact O-N 3.46Å |
| 1267 | Q | 74.1 | Confident | 68.4 | Low | 39 Ų | 39 | 64.3 Ų | 64.3 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -72.5 | 22 | -175.1 | -71.8 | -73.6 | -37.8 | 0 | 0 | 114.6 | Y1263 L1264 G1269 V1287 | Y1263-Q1267 HydrophobicContact CD1-CG 4.28Å; Y1263-Q1267 HydrophobicContact CE1-CG 3.99Å; Y1263-Q1267 VanDerWaalsContact O-CG 3.31Å; Y1263-Q1267 WeakPolarHBondContact O-CG 3.22Å; Y1263-Q1267 PolarHBondContact O-N 2.87Å; L1264-Q1267 PolarHBondContact O-N 3.31Å; Q1267-G1269 VanDerWaalsContact C-N 3.34Å; Q1267-G1269 PolarHBondContact O-N 3.16Å; Q1267-V1287 HydrophobicContact CB-CG2 4.42Å | ||
| 1268 | A | 52.3 | Low | 66.9 | Low | 53 Ų | 53 | 72.6 Ų | 72.6 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 84.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T1266 V1287 | T1266-A1268 PolarHBondContact O-N 3.46Å; A1268-V1287 HydrophobicContact CB-CG1 4.12Å |
| 1269 | G | 49 | Very low | 65.6 | Low | 53 Ų | 53 | 74.4 Ų | 74.4 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 154.6 | -27.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1267 | Q1267-G1269 VanDerWaalsContact C-N 3.34Å; Q1267-G1269 PolarHBondContact O-N 3.16Å |
| 1270 | D | 46.5 | Very low | 64.4 | Low | 98 Ų | 98 | 71.4 Ų | 71.4 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | trans | -89.8 | -3.3 | -173.5 | -82.7 | -15.8 | 0 | 0 | 0 | 114.5 | N1272 | D1270-N1272 PolarHBondContact O-N 3.41Š| ||
| 1271 | T | 45.2 | Very low | 63.1 | Low | 69 Ų | 69 | 76.3 Ų | 76.3 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -72 | 84 | 168.3 | 45 | 0 | 0 | 0 | 0 | 108.7 | R1273 | T1271-R1273 PolarHBondContact O-N 3.19Š|
| 1272 | N | 36.4 | Very low | 62.2 | Low | 115 Ų | 115 | 77.3 Ų | 77.3 | 62% | 0.615 | 43% | 0.432 | S | S | * | . | trans | -32.2 | 111.8 | 170.8 | -88.7 | -28 | 0 | 0 | 0 | 110.8 | D1270 S1274 Q1275 | D1270-N1272 PolarHBondContact O-N 3.41Å; N1272-S1274 PolarHBondContact O-N 2.95Å; N1272-Q1275 PolarHBondContact O-N 3.09Å | ||
| 1273 | R | 42.2 | Very low | 61.4 | Low | 257 Ų | 257 | 75.8 Ų | 75.8 | 97% | 0.97 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -10.4 | 171.9 | -75.3 | -176.4 | 176 | 178.8 | 0.3 | 112.9 | T1271 | T1271-R1273 PolarHBondContact O-N 3.19Š|
| 1274 | S | 39.3 | Very low | 60.6 | Low | 100 Ų | 100 | 81.5 Ų | 81.5 | 70% | 0.699 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -11.7 | -174 | 55.3 | 0 | 0 | 0 | 0 | 115.4 | N1272 | N1272-S1274 PolarHBondContact O-N 2.95Š|
| 1275 | Q | 38.6 | Very low | 60.1 | Low | 126 Ų | 126 | 83.2 Ų | 83.2 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | trans | -111.4 | 105.3 | 172.1 | -71.5 | -175.7 | -4.9 | 0 | 0 | 109.5 | N1272 N1277 | N1272-Q1275 PolarHBondContact O-N 3.09Å; Q1275-N1277 PolarHBondContact O-N 3.38Å | ||
| 1276 | A | 40.8 | Very low | 59.9 | Low | 108 Ų | 108 | 83.3 Ų | 83.3 | 89% | 0.893 | 46% | 0.463 | S | S | * | . | trans | -64.7 | 73.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1277 | N | 52.4 | Low | 60 | Low | 86 Ų | 86 | 81.5 Ų | 81.5 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | trans | -80.7 | 134.8 | 169.8 | -79.1 | -16.7 | 0 | 0 | 0 | 108.1 | Q1275 H1279 A1280 | Q1275-N1277 PolarHBondContact O-N 3.38Å; N1277-H1279 PolarHBondContact O-N 3.4Å; N1277-A1280 WeakPolarHBondContact O-CB 3.19Å; N1277-A1280 PolarHBondContact O-N 3.4Å | ||
| 1278 | E | 61.9 | Low | 60.5 | Low | 174 Ų | 174 | 83.6 Ų | 83.6 | 81% | 0.813 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -16.3 | 173.7 | -67.6 | -175.9 | 166.4 | 0 | 0 | 113.2 | ||
| 1279 | H | 66.4 | Low | 62.3 | Low | 40 Ų | 40 | 83.6 Ų | 83.6 | 19% | 0.185 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 8.1 | 179.4 | -57 | -46.9 | 0 | 0 | 0 | 114.9 | T1215 N1277 D1281 A1282 L1283 | T1215-H1279 HydrophobicContact CG2-CB 4.42Å; N1277-H1279 PolarHBondContact O-N 3.4Å; H1279-D1281 VanDerWaalsContact C-N 3.27Å; H1279-D1281 PolarHBondContact O-N 3.07Å; H1279-A1282 PolarHBondContact O-N 3.1Å; H1279-L1283 WeakPolarHBondContact O-CG 3.19Å; H1279-L1283 PolarHBondContact O-N 2.85Å |
| 1280 | A | 66.6 | Low | 64.3 | Low | 33 Ų | 33 | 81 Ų | 81 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.9 | -38 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1277 L1283 R1284 | N1277-A1280 WeakPolarHBondContact O-CB 3.19Å; N1277-A1280 PolarHBondContact O-N 3.4Å; A1280-L1283 PolarHBondContact O-N 2.73Å; A1280-R1284 WeakPolarHBondContact O-CG 3.14Å; A1280-R1284 PolarHBondContact O-N 2.87Å |
| 1281 | D | 68.5 | Low | 66.5 | Low | 104 Ų | 104 | 76.4 Ų | 76.4 | 56% | 0.556 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.2 | -43.6 | 177.4 | -65.3 | -30.6 | 0 | 0 | 0 | 112.1 | H1279 L1283 R1284 A1285 | H1279-D1281 VanDerWaalsContact C-N 3.27Å; H1279-D1281 PolarHBondContact O-N 3.07Å; D1281-L1283 VanDerWaalsContact C-N 3.29Å; D1281-L1283 PolarHBondContact O-N 3.46Å; D1281-R1284 PolarHBondContact O-N 2.99Å; D1281-R1284 VanDerWaalsContact O-N 3.17Å; D1281-R1284 IonicContact OD1-CZ 2.82Å; D1281-R1284 IonicContact OD1-NE 2.69Å; D1281-R1284 PolarHBondContact OD1-NE 3.06Å; D1281-R1284 IonicContact OD1-NH2 3.7Å; D1281-R1284 PolarHBondContact OD1-NH2 3.44Å; D1281-A1285 WeakPolarHBondContact O-CB 3.21Å; D1281-A1285 PolarHBondContact O-N 3.29Å |
| 1282 | A | 74 | Confident | 68.7 | Low | 21 Ų | 21 | 77 Ų | 77 | 17% | 0.174 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1216 H1279 L1286 | F1216-A1282 HydrophobicContact CZ-CB 4.23Å; H1279-A1282 PolarHBondContact O-N 3.1Å; A1282-L1286 VanDerWaalsContact O-CB 3.27Å; A1282-L1286 WeakPolarHBondContact O-CB 3Å; A1282-L1286 PolarHBondContact O-N 2.97Å |
| 1283 | L | 77.2 | Confident | 71.3 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 174.7 | -73.3 | 172.9 | 0 | 0 | 0 | 112.6 | T1215 H1279 A1280 D1281 L1286 V1287 | T1215-L1283 HydrophobicContact CG2-CD1 4.23Å; T1215-L1283 HydrophobicContact CG2-CD2 4.24Å; T1215-L1283 HydrophobicContact CG2-CG 4.43Å; H1279-L1283 WeakPolarHBondContact O-CG 3.19Å; H1279-L1283 PolarHBondContact O-N 2.85Å; A1280-L1283 PolarHBondContact O-N 2.73Å; D1281-L1283 VanDerWaalsContact C-N 3.29Å; D1281-L1283 PolarHBondContact O-N 3.46Å; L1283-L1286 HydrophobicContact CD2-CD2 4.14Å; L1283-L1286 WeakPolarHBondContact O-CB 3.48Å; L1283-L1286 PolarHBondContact O-N 3.24Å; L1283-V1287 WeakPolarHBondContact O-CG2 3.34Å; L1283-V1287 PolarHBondContact O-N 2.97Å |
| 1284 | R | 76 | Confident | 73.8 | Confident | 149 Ų | 149 | 60 Ų | 60 | 56% | 0.562 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.8 | -45.9 | 173.2 | -75.3 | -171.8 | -80.1 | -176.7 | -8.9 | 111.5 | A1280 D1281 L1286 V1287 D1288 | A1280-R1284 WeakPolarHBondContact O-CG 3.14Å; A1280-R1284 PolarHBondContact O-N 2.87Å; D1281-R1284 PolarHBondContact O-N 2.99Å; D1281-R1284 VanDerWaalsContact O-N 3.17Å; D1281-R1284 IonicContact OD1-CZ 2.82Å; D1281-R1284 IonicContact OD1-NE 2.69Å; D1281-R1284 PolarHBondContact OD1-NE 3.06Å; D1281-R1284 IonicContact OD1-NH2 3.7Å; D1281-R1284 PolarHBondContact OD1-NH2 3.44Å; R1284-L1286 VanDerWaalsContact C-N 3.3Å; R1284-L1286 PolarHBondContact O-N 2.91Å; R1284-V1287 PolarHBondContact O-N 2.76Å; R1284-D1288 PolarHBondContact O-N 2.95Å |
| 1285 | A | 79.4 | Confident | 76.4 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1203 D1281 V1287 D1288 L1289 | L1203-A1285 HydrophobicContact CD2-CB 3.62Å; D1281-A1285 WeakPolarHBondContact O-CB 3.21Å; D1281-A1285 PolarHBondContact O-N 3.29Å; A1285-V1287 VanDerWaalsContact C-N 3.34Å; A1285-V1287 PolarHBondContact O-N 3.44Å; A1285-D1288 PolarHBondContact O-N 3.08Å; A1285-L1289 WeakPolarHBondContact O-CB 3.1Å; A1285-L1289 WeakPolarHBondContact O-CG 3.46Å; A1285-L1289 PolarHBondContact O-N 2.75Å |
| 1286 | L | 86.3 | Confident | 78.8 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.3 | -45.8 | 175.2 | 175.6 | 71.2 | 0 | 0 | 0 | 112 | Y1194 W1197 L1203 F1216 L1264 A1282 L1283 R1284 A1290 | Y1194-L1286 HydrophobicContact CE2-CD1 3.97Å; Y1194-L1286 WeakPolarHBondContact OH-CD2 3.29Å; W1197-L1286 HydrophobicContact CH2-CD1 4.38Å; W1197-L1286 HydrophobicContact CZ3-CD1 3.69Å; L1203-L1286 HydrophobicContact CD1-CB 4.17Å; L1203-L1286 HydrophobicContact CD1-CD1 3.71Å; F1216-L1286 HydrophobicContact CD1-CD1 4.47Å; F1216-L1286 HydrophobicContact CD1-CD2 3.97Å; F1216-L1286 HydrophobicContact CE1-CB 4.42Å; F1216-L1286 HydrophobicContact CE1-CD1 4.25Å; F1216-L1286 HydrophobicContact CE1-CD2 3.94Å; F1216-L1286 HydrophobicContact CE1-CG 4.44Å; L1264-L1286 HydrophobicContact CD1-CD1 4.23Å; L1264-L1286 HydrophobicContact CD1-CG 4.47Å; L1264-L1286 HydrophobicContact CD2-CD2 3.88Å; L1264-L1286 HydrophobicContact CD2-CG 4.39Å; A1282-L1286 VanDerWaalsContact O-CB 3.27Å; A1282-L1286 WeakPolarHBondContact O-CB 3Å; A1282-L1286 PolarHBondContact O-N 2.97Å; L1283-L1286 HydrophobicContact CD2-CD2 4.14Å; L1283-L1286 WeakPolarHBondContact O-CB 3.48Å; L1283-L1286 PolarHBondContact O-N 3.24Å; R1284-L1286 VanDerWaalsContact C-N 3.3Å; R1284-L1286 PolarHBondContact O-N 2.91Å; L1286-A1290 WeakPolarHBondContact O-CB 3.31Å; L1286-A1290 PolarHBondContact O-N 2.94Å |
| 1287 | V | 87.6 | Confident | 81.2 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L1264 G1265 Q1267 A1268 L1283 R1284 A1285 A1290 F1291 | L1264-V1287 WeakPolarHBondContact O-CG2 3.44Å; G1265-V1287 WeakPolarHBondContact O-CG1 3.4Å; Q1267-V1287 HydrophobicContact CB-CG2 4.42Å; A1268-V1287 HydrophobicContact CB-CG1 4.12Å; L1283-V1287 WeakPolarHBondContact O-CG2 3.34Å; L1283-V1287 PolarHBondContact O-N 2.97Å; R1284-V1287 PolarHBondContact O-N 2.76Å; A1285-V1287 VanDerWaalsContact C-N 3.34Å; A1285-V1287 PolarHBondContact O-N 3.44Å; V1287-A1290 PolarHBondContact O-N 3.04Å; V1287-F1291 VanDerWaalsContact O-CB 3.31Å; V1287-F1291 WeakPolarHBondContact O-CB 3.3Å; V1287-F1291 PolarHBondContact O-N 2.76Å |
| 1288 | D | 84.4 | Confident | 83 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.4 | -39.2 | -178.2 | -76.8 | -18.1 | 0 | 0 | 0 | 112.6 | R1284 A1285 K1292 | R1284-D1288 PolarHBondContact O-N 2.95Å; A1285-D1288 PolarHBondContact O-N 3.08Å; D1288-K1292 VanDerWaalsContact O-CG 3.29Å; D1288-K1292 WeakPolarHBondContact O-CG 3.49Å; D1288-K1292 PolarHBondContact O-N 2.92Å |
| 1289 | L | 88.6 | Confident | 84.3 | Confident | 53 Ų | 53 | 36.3 Ų | 36.3 | 28% | 0.277 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 176.2 | -74.4 | 170.9 | 0 | 0 | 0 | 111.9 | W1197 L1203 A1285 F1291 K1292 A1293 | W1197-L1289 HydrophobicContact CH2-CB 3.7Å; W1197-L1289 HydrophobicContact CZ2-CB 3.96Å; L1203-L1289 HydrophobicContact CD1-CD1 3.96Å; L1203-L1289 HydrophobicContact CD2-CD1 3.85Å; L1203-L1289 HydrophobicContact CG-CD1 3.92Å; A1285-L1289 WeakPolarHBondContact O-CB 3.1Å; A1285-L1289 WeakPolarHBondContact O-CG 3.46Å; A1285-L1289 PolarHBondContact O-N 2.75Å; L1289-F1291 VanDerWaalsContact C-N 3.34Å; L1289-K1292 PolarHBondContact O-N 2.86Å; L1289-A1293 VanDerWaalsContact O-CB 3.28Å; L1289-A1293 WeakPolarHBondContact O-CB 3.36Å; L1289-A1293 PolarHBondContact O-N 3.47Å |
| 1290 | A | 92.2 | Very high | 85 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W1197 F1261 L1264 L1286 V1287 A1293 Y1294 | W1197-A1290 HydrophobicContact CH2-CB 4.26Å; F1261-A1290 HydrophobicContact CD1-CB 3.85Å; F1261-A1290 HydrophobicContact CE1-CB 4.38Å; L1264-A1290 HydrophobicContact CB-CB 3.56Å; L1264-A1290 HydrophobicContact CD1-CB 4.04Å; L1264-A1290 HydrophobicContact CG-CB 4.49Å; L1286-A1290 WeakPolarHBondContact O-CB 3.31Å; L1286-A1290 PolarHBondContact O-N 2.94Å; V1287-A1290 PolarHBondContact O-N 3.04Å; A1290-A1293 PolarHBondContact O-N 3.24Å; A1290-Y1294 WeakPolarHBondContact O-CB 3.47Å; A1290-Y1294 PolarHBondContact O-N 3.38Å |
| 1291 | F | 92.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56 | -54.1 | 172.2 | 175.3 | -93.5 | 0 | 0 | 0 | 111.4 | L684 Y685 R976 S979 V980 V1287 L1289 A1293 Y1294 H1295 | L684-F1291 HydrophobicContact CD1-CE2 4.14Å; L684-F1291 HydrophobicContact CD1-CZ 3.94Å; Y685-F1291 HydrophobicContact CE2-CD2 4.25Å; Y685-F1291 HydrophobicContact CE2-CE2 4.49Å; Y685-F1291 AromaticContact CZ-CD2 3.97Å; R976-F1291 HydrophobicContact CG-CE1 4.06Å; R976-F1291 HydrophobicContact CG-CE2 4.26Å; R976-F1291 HydrophobicContact CG-CZ 3.82Å; R976-F1291 VanDerWaalsContact CZ-CD2 3.47Å; S979-F1291 WeakPolarHBondContact OG-CE1 3.09Å; V980-F1291 HydrophobicContact CG2-CE1 3.56Å; V980-F1291 HydrophobicContact CG2-CZ 3.44Å; V980-F1291 VanDerWaalsContact CG2-CZ 3.44Å; V1287-F1291 VanDerWaalsContact O-CB 3.31Å; V1287-F1291 WeakPolarHBondContact O-CB 3.3Å; V1287-F1291 PolarHBondContact O-N 2.76Å; L1289-F1291 VanDerWaalsContact C-N 3.34Å; F1291-A1293 PolarHBondContact O-N 3.4Å; F1291-Y1294 WeakPolarHBondContact O-CB 3.34Å; F1291-Y1294 PolarHBondContact O-N 3.26Å; F1291-H1295 AromaticContact CD1-CD2 3.96Å; F1291-H1295 AromaticContact CD2-CD2 3.73Å; F1291-H1295 AromaticContact CD2-NE2 3.63Å; F1291-H1295 AromaticContact CE1-CD2 3.65Å; F1291-H1295 AromaticContact CE2-CD2 3.46Å; F1291-H1295 VanDerWaalsContact CE2-CD2 3.46Å; F1291-H1295 WeakPolarHBondContact CE2-CD2 3.32Å; F1291-H1295 AromaticContact CE2-NE2 3.05Å; F1291-H1295 WeakPolarHBondContact CE2-NE2 3.41Å; F1291-H1295 AromaticContact CG-CD2 3.99Å; F1291-H1295 AromaticContact CZ-CD2 3.41Å; F1291-H1295 VanDerWaalsContact CZ-CD2 3.41Å; F1291-H1295 WeakPolarHBondContact CZ-CD2 3.43Å; F1291-H1295 AromaticContact CZ-NE2 3.28Å; F1291-H1295 VanDerWaalsContact CZ-NE2 3.28Å; F1291-H1295 WeakPolarHBondContact CZ-NE2 3.45Å; F1291-H1295 PolarHBondContact O-CD2 2.78Å; F1291-H1295 PolarHBondContact O-N 3.27Å; F1291-H1295 VanDerWaalsContact O-N 3.16Å |
| 1292 | K | 90.3 | Very high | 86.4 | Confident | 82 Ų | 82 | 28.7 Ų | 28.7 | 36% | 0.357 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 179 | -70.5 | 170.4 | -174.1 | 174.5 | 0 | 112.4 | I983 D1288 L1289 Y1294 H1295 K1296 | I983-K1292 HydrophobicContact CD1-CB 4.2Å; I983-K1292 HydrophobicContact CD1-CG 4.4Å; I983-K1292 WeakPolarHBondContact CD1-O 3.11Å; D1288-K1292 VanDerWaalsContact O-CG 3.29Å; D1288-K1292 WeakPolarHBondContact O-CG 3.49Å; D1288-K1292 PolarHBondContact O-N 2.92Å; L1289-K1292 PolarHBondContact O-N 2.86Å; K1292-Y1294 VanDerWaalsContact C-N 3.32Å; K1292-Y1294 PolarHBondContact O-N 3.09Å; K1292-H1295 PolarHBondContact O-N 3.3Å; K1292-K1296 VanDerWaalsContact O-CB 3.25Å; K1292-K1296 WeakPolarHBondContact O-CB 3.5Å; K1292-K1296 PolarHBondContact O-N 2.97Å |
| 1293 | A | 91.7 | Very high | 87.2 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -39.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | W1197 F1261 L1289 A1290 F1291 A1297 S1305 F1306 | W1197-A1293 HydrophobicContact CZ2-CB 4.05Å; F1261-A1293 HydrophobicContact CD1-CB 4.31Å; F1261-A1293 HydrophobicContact CE1-CB 4.28Å; L1289-A1293 VanDerWaalsContact O-CB 3.28Å; L1289-A1293 WeakPolarHBondContact O-CB 3.36Å; L1289-A1293 PolarHBondContact O-N 3.47Å; A1290-A1293 PolarHBondContact O-N 3.24Å; F1291-A1293 PolarHBondContact O-N 3.4Å; A1293-A1297 WeakPolarHBondContact O-CB 3.27Å; A1293-A1297 PolarHBondContact O-N 2.92Å; A1293-S1305 PolarHBondContact O-OG 2.89Å; A1293-F1306 HydrophobicContact CB-CD1 4.32Å; A1293-F1306 HydrophobicContact CB-CE1 3.79Å |
| 1294 | Y | 94.8 | Very high | 87.6 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.6 | -53.2 | 175.7 | -169.2 | -84 | 0 | 0 | 0 | 112.2 | Y685 D689 L692 M1258 F1261 K1262 A1290 F1291 K1292 K1296 A1297 A1298 | Y685-Y1294 AromaticContact CD1-CD1 3.57Å; Y685-Y1294 HydrophobicContact CD1-CD1 3.57Å; Y685-Y1294 AromaticContact CD1-CE1 3.48Å; Y685-Y1294 HydrophobicContact CD1-CE1 3.48Å; Y685-Y1294 VanDerWaalsContact CD1-CE1 3.48Å; Y685-Y1294 HydrophobicContact CD1-CG 4.22Å; Y685-Y1294 AromaticContact CE1-CD1 3.49Å; Y685-Y1294 HydrophobicContact CE1-CD1 3.49Å; Y685-Y1294 VanDerWaalsContact CE1-CD1 3.49Å; Y685-Y1294 HydrophobicContact CE1-CD2 4.24Å; Y685-Y1294 AromaticContact CE1-CE1 3.86Å; Y685-Y1294 HydrophobicContact CE1-CE1 3.86Å; Y685-Y1294 AromaticContact CE1-CG 3.71Å; Y685-Y1294 HydrophobicContact CE1-CG 3.71Å; D689-Y1294 PolarHBondContact OD1-OH 3.49Å; L692-Y1294 HydrophobicContact CD1-CE1 3.82Å; L692-Y1294 HydrophobicContact CD1-CE2 4.43Å; M1258-Y1294 HydrophobicContact CB-CE2 4.07Å; M1258-Y1294 HydrophobicContact CE-CD2 3.53Å; M1258-Y1294 HydrophobicContact CE-CE1 4.42Å; M1258-Y1294 HydrophobicContact CE-CE2 3.39Å; M1258-Y1294 HydrophobicContact CE-CG 4.11Å; M1258-Y1294 VanDerWaalsContact O-CE2 3.29Å; M1258-Y1294 WeakPolarHBondContact O-CE2 3.43Å; M1258-Y1294 HydrophobicContact SD-CD2 4.36Å; M1258-Y1294 HydrophobicContact SD-CE2 4.37Å; F1261-Y1294 HydrophobicContact CB-CD2 4.22Å; K1262-Y1294 HydrophobicContact CB-CD2 4.17Å; K1262-Y1294 HydrophobicContact CB-CE2 3.81Å; A1290-Y1294 WeakPolarHBondContact O-CB 3.47Å; A1290-Y1294 PolarHBondContact O-N 3.38Å; F1291-Y1294 WeakPolarHBondContact O-CB 3.34Å; F1291-Y1294 PolarHBondContact O-N 3.26Å; K1292-Y1294 VanDerWaalsContact C-N 3.32Å; K1292-Y1294 PolarHBondContact O-N 3.09Å; Y1294-K1296 VanDerWaalsContact C-N 3.34Å; Y1294-K1296 PolarHBondContact O-N 3.15Å; Y1294-A1297 PolarHBondContact O-N 3.02Å; Y1294-A1298 PolarHBondContact O-N 3.27Å |
| 1295 | H | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | -179.5 | -76.2 | -71.8 | 0 | 0 | 0 | 112.1 | L684 S688 Y735 I983 F1291 K1292 A1297 A1298 L1299 | L684-H1295 PolarHBondContact O-CE1 3.16Å; S688-H1295 PolarHBondContact OG-CE1 2.72Å; S688-H1295 PolarHBondContact OG-ND1 2.65Å; Y735-H1295 PolarHBondContact OH-ND1 3.02Å; I983-H1295 HydrophobicContact CD1-CB 3.72Å; F1291-H1295 AromaticContact CD1-CD2 3.96Å; F1291-H1295 AromaticContact CD2-CD2 3.73Å; F1291-H1295 AromaticContact CD2-NE2 3.63Å; F1291-H1295 AromaticContact CE1-CD2 3.65Å; F1291-H1295 AromaticContact CE2-CD2 3.46Å; F1291-H1295 VanDerWaalsContact CE2-CD2 3.46Å; F1291-H1295 WeakPolarHBondContact CE2-CD2 3.32Å; F1291-H1295 AromaticContact CE2-NE2 3.05Å; F1291-H1295 WeakPolarHBondContact CE2-NE2 3.41Å; F1291-H1295 AromaticContact CG-CD2 3.99Å; F1291-H1295 AromaticContact CZ-CD2 3.41Å; F1291-H1295 VanDerWaalsContact CZ-CD2 3.41Å; F1291-H1295 WeakPolarHBondContact CZ-CD2 3.43Å; F1291-H1295 AromaticContact CZ-NE2 3.28Å; F1291-H1295 VanDerWaalsContact CZ-NE2 3.28Å; F1291-H1295 WeakPolarHBondContact CZ-NE2 3.45Å; F1291-H1295 PolarHBondContact O-CD2 2.78Å; F1291-H1295 PolarHBondContact O-N 3.27Å; F1291-H1295 VanDerWaalsContact O-N 3.16Å; K1292-H1295 PolarHBondContact O-N 3.3Å; H1295-A1297 VanDerWaalsContact C-N 3.33Å; H1295-A1297 PolarHBondContact O-N 2.84Å; H1295-A1298 PolarHBondContact O-N 3.24Å; H1295-L1299 WeakPolarHBondContact O-CB 3.48Å; H1295-L1299 PolarHBondContact O-N 3.11Å |
| 1296 | K | 89.5 | Confident | 88.7 | Confident | 93 Ų | 93 | 18.8 Ų | 18.8 | 40% | 0.404 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 174.2 | -176.9 | 169.3 | 175.6 | 177.9 | 0 | 111.4 | I983 K1292 Y1294 S1300 | I983-K1296 HydrophobicContact CG2-CB 3.99Å; I983-K1296 HydrophobicContact CG2-CG 4.48Å; K1292-K1296 VanDerWaalsContact O-CB 3.25Å; K1292-K1296 WeakPolarHBondContact O-CB 3.5Å; K1292-K1296 PolarHBondContact O-N 2.97Å; Y1294-K1296 VanDerWaalsContact C-N 3.34Å; Y1294-K1296 PolarHBondContact O-N 3.15Å; K1296-S1300 VanDerWaalsContact O-CB 3.31Å; K1296-S1300 WeakPolarHBondContact O-CB 3.31Å; K1296-S1300 PolarHBondContact O-N 3.03Å; K1296-S1300 VanDerWaalsContact O-N 3.09Å; K1296-S1300 PolarHBondContact O-OG 2.66Å |
| 1297 | A | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1258 A1293 Y1294 H1295 G1301 D1302 F1303 F1306 | M1258-A1297 HydrophobicContact CE-CB 4.28Å; A1293-A1297 WeakPolarHBondContact O-CB 3.27Å; A1293-A1297 PolarHBondContact O-N 2.92Å; Y1294-A1297 PolarHBondContact O-N 3.02Å; H1295-A1297 VanDerWaalsContact C-N 3.33Å; H1295-A1297 PolarHBondContact O-N 2.84Å; A1297-G1301 VanDerWaalsContact O-CA 3.26Å; A1297-G1301 WeakPolarHBondContact O-CA 3.47Å; A1297-G1301 PolarHBondContact O-N 3.24Å; A1297-D1302 VanDerWaalsContact CA-O 3.25Å; A1297-D1302 WeakPolarHBondContact CA-O 3.41Å; A1297-F1303 HydrophobicContact CB-CD1 3.96Å; A1297-F1303 HydrophobicContact CB-CE1 4.13Å; A1297-F1306 HydrophobicContact CB-CD2 4.45Å; A1297-F1306 HydrophobicContact CB-CE2 3.59Å; A1297-F1306 HydrophobicContact CB-CZ 4.1Å |
| 1298 | A | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L691 L692 R728 Y1294 H1295 | L691-A1298 HydrophobicContact CB-CB 4.49Å; L692-A1298 HydrophobicContact CD1-CB 3.84Å; L692-A1298 HydrophobicContact CD2-CB 4.15Å; L692-A1298 HydrophobicContact CG-CB 3.77Å; R728-A1298 PolarHBondContact NH2-O 3.18Å; Y1294-A1298 PolarHBondContact O-N 3.27Å; H1295-A1298 PolarHBondContact O-N 3.24Å |
| 1299 | L | 88.1 | Confident | 88.8 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.1 | -50.1 | -175.9 | -77.5 | 164.7 | 0 | 0 | 0 | 112.2 | L691 R728 L732 Y735 I983 I984 H1295 G1301 | L691-L1299 HydrophobicContact CD1-CD2 3.88Å; L691-L1299 HydrophobicContact CD1-CG 4.37Å; R728-L1299 PolarHBondContact NH2-O 3.45Å; L732-L1299 HydrophobicContact CD2-CD2 3.96Å; Y735-L1299 HydrophobicContact CD1-CD2 3.82Å; Y735-L1299 HydrophobicContact CD2-CD2 4.28Å; Y735-L1299 HydrophobicContact CE1-CD1 3.94Å; Y735-L1299 HydrophobicContact CE1-CD2 3.75Å; Y735-L1299 HydrophobicContact CE1-CG 4.21Å; Y735-L1299 HydrophobicContact CE2-CD2 4.23Å; Y735-L1299 HydrophobicContact CE2-CG 4.48Å; Y735-L1299 HydrophobicContact CG-CD2 4.12Å; I983-L1299 HydrophobicContact CB-CD1 4.12Å; I983-L1299 HydrophobicContact CG2-CB 4.42Å; I983-L1299 HydrophobicContact CG2-CD1 3.54Å; I984-L1299 HydrophobicContact CG1-CD1 3.78Å; I984-L1299 HydrophobicContact CG1-CD2 4.27Å; H1295-L1299 WeakPolarHBondContact O-CB 3.48Å; H1295-L1299 PolarHBondContact O-N 3.11Å; L1299-G1301 VanDerWaalsContact C-N 3.3Å; L1299-G1301 PolarHBondContact O-N 3.3Å |
| 1300 | S | 82.1 | Confident | 88.1 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.6 | -31.5 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | R990 K1296 D1302 | R990-S1300 WeakPolarHBondContact CD-O 3.16Å; R990-S1300 VanDerWaalsContact CG-O 3.23Å; R990-S1300 WeakPolarHBondContact CG-O 3.47Å; K1296-S1300 VanDerWaalsContact O-CB 3.31Å; K1296-S1300 WeakPolarHBondContact O-CB 3.31Å; K1296-S1300 PolarHBondContact O-N 3.03Å; K1296-S1300 VanDerWaalsContact O-N 3.09Å; K1296-S1300 PolarHBondContact O-OG 2.66Å; S1300-D1302 WeakPolarHBondContact CB-OD2 3.42Å; S1300-D1302 PolarHBondContact O-N 2.95Å; S1300-D1302 PolarHBondContact OG-N 2.87Å; S1300-D1302 PolarHBondContact OG-O 3.22Å; S1300-D1302 PolarHBondContact OG-OD2 3.12Å |
| 1301 | G | 81.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 65.8 | 18.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R990 A1297 L1299 | R990-G1301 PolarHBondContact NE-O 3.19Å; R990-G1301 PolarHBondContact NH2-O 3.33Å; A1297-G1301 VanDerWaalsContact O-CA 3.26Å; A1297-G1301 WeakPolarHBondContact O-CA 3.47Å; A1297-G1301 PolarHBondContact O-N 3.24Å; L1299-G1301 VanDerWaalsContact C-N 3.3Å; L1299-G1301 PolarHBondContact O-N 3.3Å |
| 1302 | D | 83.7 | Confident | 85.3 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | trans | -119.6 | 160.2 | 171.1 | 80.2 | 58.4 | 0 | 0 | 0 | 110.4 | A1297 S1300 S1304 E1309 | A1297-D1302 VanDerWaalsContact CA-O 3.25Å; A1297-D1302 WeakPolarHBondContact CA-O 3.41Å; S1300-D1302 WeakPolarHBondContact CB-OD2 3.42Å; S1300-D1302 PolarHBondContact O-N 2.95Å; S1300-D1302 PolarHBondContact OG-N 2.87Å; S1300-D1302 PolarHBondContact OG-O 3.22Å; S1300-D1302 PolarHBondContact OG-OD2 3.12Å; D1302-S1304 WeakPolarHBondContact OD1-CB 3.31Å; D1302-S1304 PolarHBondContact OD1-N 3.48Å; D1302-S1304 PolarHBondContact OD1-OG 2.89Å; D1302-E1309 WeakPolarHBondContact CA-OE1 3.45Å; D1302-E1309 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 1303 | F | 90.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -113.3 | 27 | -173.9 | -60 | -71.6 | 0 | 0 | 0 | 111.5 | V1151 H1154 L1155 L1158 M1258 A1297 S1305 F1306 L1308 E1309 | V1151-F1303 HydrophobicContact CG1-CE2 4.41Å; V1151-F1303 HydrophobicContact CG1-CZ 3.86Å; V1151-F1303 WeakPolarHBondContact O-CE2 3.34Å; H1154-F1303 AromaticContact CD2-CD2 3.76Å; H1154-F1303 AromaticContact CD2-CE2 3.73Å; L1155-F1303 HydrophobicContact CB-CD2 4.05Å; L1155-F1303 HydrophobicContact CB-CE1 4.09Å; L1155-F1303 HydrophobicContact CB-CE2 3.54Å; L1155-F1303 HydrophobicContact CB-CZ 3.57Å; L1155-F1303 HydrophobicContact CD1-CB 4.14Å; L1155-F1303 HydrophobicContact CD1-CD1 3.76Å; L1155-F1303 HydrophobicContact CD1-CD2 3.95Å; L1155-F1303 HydrophobicContact CD1-CE1 4.1Å; L1155-F1303 HydrophobicContact CD1-CE2 4.27Å; L1155-F1303 HydrophobicContact CD1-CG 3.67Å; L1155-F1303 HydrophobicContact CD1-CZ 4.33Å; L1155-F1303 HydrophobicContact CD2-CD1 4.15Å; L1155-F1303 HydrophobicContact CD2-CE1 3.74Å; L1155-F1303 HydrophobicContact CD2-CZ 4.03Å; L1155-F1303 HydrophobicContact CG-CD1 4.36Å; L1155-F1303 HydrophobicContact CG-CE1 4.18Å; L1155-F1303 HydrophobicContact CG-CE2 4.34Å; L1155-F1303 HydrophobicContact CG-CZ 4.17Å; L1158-F1303 HydrophobicContact CD1-CB 3.95Å; L1158-F1303 HydrophobicContact CD1-CD2 3.72Å; L1158-F1303 HydrophobicContact CD1-CG 4.27Å; M1258-F1303 HydrophobicContact SD-CE1 4.33Å; A1297-F1303 HydrophobicContact CB-CD1 3.96Å; A1297-F1303 HydrophobicContact CB-CE1 4.13Å; F1303-S1305 PolarHBondContact O-N 3.41Å; F1303-F1306 HydrophobicContact CB-CD2 4.13Å; F1303-F1306 AromaticContact CD1-CD2 3.76Å; F1303-F1306 HydrophobicContact CD1-CD2 3.76Å; F1303-F1306 AromaticContact CD1-CE2 3.79Å; F1303-F1306 HydrophobicContact CD1-CE2 3.79Å; F1303-F1306 HydrophobicContact CE1-CE2 4.42Å; F1303-F1306 HydrophobicContact CG-CD2 4.44Å; F1303-F1306 PolarHBondContact O-N 3.16Å; F1303-F1306 VanDerWaalsContact O-N 3.13Å; F1303-L1308 HydrophobicContact CB-CB 4.35Å; F1303-L1308 PolarHBondContact O-N 3.05Å; F1303-E1309 HydrophobicContact CB-CG 4.49Å; F1303-E1309 PolarHBondContact N-OE1 3.24Å | ||
| 1304 | S | 85.5 | Confident | 81.4 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -64.4 | -28.1 | 173.5 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | D1302 F1306 Y1307 E1309 | D1302-S1304 WeakPolarHBondContact OD1-CB 3.31Å; D1302-S1304 PolarHBondContact OD1-N 3.48Å; D1302-S1304 PolarHBondContact OD1-OG 2.89Å; S1304-F1306 PolarHBondContact O-N 3.28Å; S1304-Y1307 PolarHBondContact O-N 2.97Å; S1304-E1309 WeakPolarHBondContact CA-O 3.07Å; S1304-E1309 WeakPolarHBondContact CB-O 2.84Å |
| 1305 | S | 86.9 | Confident | 79.1 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -63 | -21.2 | 173 | 57.6 | 0 | 0 | 0 | 0 | 113.7 | W1197 A1293 F1303 | W1197-S1305 PolarHBondContact NE1-O 2.83Å; A1293-S1305 PolarHBondContact O-OG 2.89Å; F1303-S1305 PolarHBondContact O-N 3.41Å |
| 1306 | F | 90.7 | Very high | 77.4 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -100.2 | 8.4 | 173.6 | -54.7 | -56.1 | 0 | 0 | 0 | 112.9 | L1257 M1258 F1261 A1293 A1297 F1303 S1304 L1308 | L1257-F1306 HydrophobicContact CD2-CD2 4.48Å; L1257-F1306 HydrophobicContact CD2-CG 4.49Å; M1258-F1306 HydrophobicContact CE-CE2 4.41Å; M1258-F1306 HydrophobicContact CE-CZ 4.4Å; M1258-F1306 HydrophobicContact SD-CE2 3.45Å; M1258-F1306 WeakPolarHBondContact SD-CE2 3.5Å; M1258-F1306 HydrophobicContact SD-CZ 3.61Å; F1261-F1306 HydrophobicContact CB-CE1 4.39Å; F1261-F1306 HydrophobicContact CD1-CD1 4.17Å; F1261-F1306 AromaticContact CD1-CE1 3.44Å; F1261-F1306 HydrophobicContact CD1-CE1 3.44Å; F1261-F1306 VanDerWaalsContact CD1-CE1 3.44Å; F1261-F1306 HydrophobicContact CD1-CZ 4.37Å; F1261-F1306 HydrophobicContact CD2-CD1 4.46Å; F1261-F1306 HydrophobicContact CD2-CE1 4.01Å; F1261-F1306 AromaticContact CE1-CD1 3.77Å; F1261-F1306 HydrophobicContact CE1-CD1 3.77Å; F1261-F1306 AromaticContact CE1-CE1 3.52Å; F1261-F1306 HydrophobicContact CE1-CE1 3.52Å; F1261-F1306 HydrophobicContact CE2-CD1 4.12Å; F1261-F1306 HydrophobicContact CE2-CE1 4.1Å; F1261-F1306 HydrophobicContact CG-CD1 4.47Å; F1261-F1306 AromaticContact CG-CE1 3.67Å; F1261-F1306 HydrophobicContact CG-CE1 3.67Å; F1261-F1306 HydrophobicContact CG-CZ 4.31Å; F1261-F1306 AromaticContact CZ-CD1 3.73Å; F1261-F1306 HydrophobicContact CZ-CD1 3.73Å; F1261-F1306 AromaticContact CZ-CE1 3.85Å; F1261-F1306 HydrophobicContact CZ-CE1 3.85Å; A1293-F1306 HydrophobicContact CB-CD1 4.32Å; A1293-F1306 HydrophobicContact CB-CE1 3.79Å; A1297-F1306 HydrophobicContact CB-CD2 4.45Å; A1297-F1306 HydrophobicContact CB-CE2 3.59Å; A1297-F1306 HydrophobicContact CB-CZ 4.1Å; F1303-F1306 HydrophobicContact CB-CD2 4.13Å; F1303-F1306 AromaticContact CD1-CD2 3.76Å; F1303-F1306 HydrophobicContact CD1-CD2 3.76Å; F1303-F1306 AromaticContact CD1-CE2 3.79Å; F1303-F1306 HydrophobicContact CD1-CE2 3.79Å; F1303-F1306 HydrophobicContact CE1-CE2 4.42Å; F1303-F1306 HydrophobicContact CG-CD2 4.44Å; F1303-F1306 PolarHBondContact O-N 3.16Å; F1303-F1306 VanDerWaalsContact O-N 3.13Å; S1304-F1306 PolarHBondContact O-N 3.28Å; F1306-L1308 HydrophobicContact CB-CD1 4.12Å; F1306-L1308 HydrophobicContact CB-CG 4.08Å; F1306-L1308 PolarHBondContact O-N 3.06Å |
| 1307 | Y | 88.3 | Confident | 76.1 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 25 | -175 | -47.8 | -71.7 | 0 | 0 | 0 | 115 | W1197 R1200 S1201 S1304 | W1197-Y1307 HydrophobicContact CB-CD2 4.35Å; W1197-Y1307 AromaticContact CD1-CD2 3.52Å; W1197-Y1307 AromaticContact CD1-CE2 3.39Å; W1197-Y1307 HydrophobicContact CG-CD2 4.25Å; W1197-Y1307 HydrophobicContact CG-CE2 4.12Å; W1197-Y1307 AromaticContact NE1-CE2 3.95Å; R1200-Y1307 HydrophobicContact CB-CD2 3.78Å; R1200-Y1307 HydrophobicContact CB-CE1 4.32Å; R1200-Y1307 HydrophobicContact CB-CE2 3.38Å; R1200-Y1307 HydrophobicContact CB-CG 4.41Å; R1200-Y1307 HydrophobicContact CG-CD2 4.34Å; R1200-Y1307 HydrophobicContact CG-CE2 4.4Å; R1200-Y1307 PolarHBondContact O-OH 3.29Å; S1201-Y1307 PolarHBondContact OG-OH 3.14Å; S1304-Y1307 PolarHBondContact O-N 2.97Å |
| 1308 | L | 88 | Confident | 75.3 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -89.6 | -23 | 179.2 | -65.8 | 176.9 | 0 | 0 | 0 | 113.2 | L1155 L1158 I1159 I1193 L1257 F1303 F1306 | L1155-L1308 HydrophobicContact CD1-CD1 3.52Å; L1158-L1308 HydrophobicContact CB-CB 4.37Å; L1158-L1308 HydrophobicContact CD1-CB 4.37Å; I1159-L1308 HydrophobicContact CG1-CD1 4Å; I1193-L1308 HydrophobicContact CD1-CD2 4.16Å; I1193-L1308 HydrophobicContact CG1-CD2 4.34Å; I1193-L1308 HydrophobicContact CG2-CD2 4.19Å; L1257-L1308 HydrophobicContact CD2-CD1 4.19Å; F1303-L1308 HydrophobicContact CB-CB 4.35Å; F1303-L1308 PolarHBondContact O-N 3.05Å; F1306-L1308 HydrophobicContact CB-CD1 4.12Å; F1306-L1308 HydrophobicContact CB-CG 4.08Å; F1306-L1308 PolarHBondContact O-N 3.06Å |
| 1309 | E | 84.2 | Confident | 74.7 | Confident | 42 Ų | 42 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -142.5 | 164.5 | 174 | 62.5 | -172.6 | 159.9 | 0 | 0 | 111.9 | H1154 L1158 D1302 F1303 S1304 | H1154-E1309 IonicContact CE1-OE2 3Å; H1154-E1309 IonicContact NE2-OE1 2.71Å; H1154-E1309 PolarHBondContact NE2-OE1 3.33Å; H1154-E1309 IonicContact NE2-OE2 2.64Å; H1154-E1309 PolarHBondContact NE2-OE2 3.22Å; H1154-E1309 VanDerWaalsContact NE2-OE2 3.14Å; L1158-E1309 HydrophobicContact CD1-CB 4.25Å; L1158-E1309 HydrophobicContact CD1-CG 4.12Å; L1158-E1309 HydrophobicContact CD2-CB 4.27Å; D1302-E1309 WeakPolarHBondContact CA-OE1 3.45Å; D1302-E1309 WeakPolarHBondContact CB-OE1 3.36Å; F1303-E1309 HydrophobicContact CB-CG 4.49Å; F1303-E1309 PolarHBondContact N-OE1 3.24Å; S1304-E1309 WeakPolarHBondContact CA-O 3.07Å; S1304-E1309 WeakPolarHBondContact CB-O 2.84Å |
| 1310 | Q | 75.2 | Confident | 74.5 | Confident | 174 Ų | 174 | 61.3 Ų | 61.3 | 81% | 0.813 | 31% | 0.31 | S | S | * | . | trans | -80.5 | 142.4 | 173.6 | -68.5 | -162.9 | -7.5 | 0 | 0 | 110.3 | K1312 | Q1310-K1312 PolarHBondContact O-N 2.8Š| ||
| 1311 | P | 66.6 | Low | 74.5 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | trans | -60.9 | 136.7 | 176 | 25.5 | -33.1 | 0 | 0 | 0 | 110.6 | R1313 V1314 | P1311-R1313 VanDerWaalsContact C-N 3.27Å; P1311-R1313 PolarHBondContact O-N 2.95Å; P1311-V1314 HydrophobicContact CG-CG2 4.07Å | ||
| 1312 | K | 60.1 | Low | 74.6 | Confident | 126 Ų | 126 | 64.3 Ų | 64.3 | 55% | 0.548 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -68.3 | -20.6 | -174.3 | -68.7 | -176.6 | 179.5 | -178.7 | 0 | 114.3 | Q1310 | Q1310-K1312 PolarHBondContact O-N 2.8Š|
| 1313 | R | 52.9 | Low | 74.8 | Confident | 161 Ų | 161 | 64.1 Ų | 64.1 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | trans | -140.5 | 134.7 | 169.9 | -80.7 | -170.1 | 179.7 | -170.6 | 4.8 | 109.9 | P1311 E1315 | P1311-R1313 VanDerWaalsContact C-N 3.27Å; P1311-R1313 PolarHBondContact O-N 2.95Å; R1313-E1315 IonicContact NH1-OE1 3.27Å; R1313-E1315 PolarHBondContact NH1-OE1 3.33Å | ||
| 1314 | V | 45.3 | Very low | 74.5 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 76% | 0.758 | 33% | 0.328 | S | S | * | . | trans | -111.8 | 74.4 | 166 | -172.2 | 0 | 0 | 0 | 0 | 106.6 | P1311 | P1311-V1314 HydrophobicContact CG-CG2 4.07Š| ||
| 1315 | E | 48.5 | Very low | 74.6 | Confident | 131 Ų | 131 | 64.6 Ų | 64.6 | 61% | 0.612 | 33% | 0.326 | S | S | * | . | trans | -70.9 | 155.3 | 157.1 | -78.8 | 174.1 | -153.1 | 0 | 0 | 107.4 | R1313 D1317 | R1313-E1315 IonicContact NH1-OE1 3.27Å; R1313-E1315 PolarHBondContact NH1-OE1 3.33Å; E1315-D1317 PolarHBondContact O-N 3.01Å | ||
| 1316 | S | 56 | Low | 74.6 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 66% | 0.664 | 32% | 0.324 | S | S | * | . | trans | -60.8 | 105.9 | 175 | 158.8 | 0 | 0 | 0 | 0 | 109.2 | A1318 | S1316-A1318 PolarHBondContact O-N 3.1Å; S1316-A1318 PolarHBondContact OG-N 2.79Å | ||
| 1317 | D | 62.9 | Low | 74.4 | Confident | 91 Ų | 91 | 67 Ų | 67 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | trans | -59.8 | -10.2 | 174.7 | -62.6 | -18.6 | 0 | 0 | 0 | 113.4 | E1315 E1319 T1371 | E1315-D1317 PolarHBondContact O-N 3.01Å; D1317-E1319 PolarHBondContact O-N 2.92Å; D1317-T1371 HydrophobicContact CB-CG2 4.46Å | ||
| 1318 | A | 73.4 | Confident | 74.2 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | trans | -77.6 | 110 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | S1316 I1369 G1370 | S1316-A1318 PolarHBondContact O-N 3.1Å; S1316-A1318 PolarHBondContact OG-N 2.79Å; A1318-I1369 HydrophobicContact CB-CG2 4.5Å; A1318-G1370 WeakPolarHBondContact CA-O 3.33Å | ||
| 1319 | E | 78.1 | Confident | 73.9 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 161 | 177.1 | -67.9 | -172.3 | 136.7 | 0 | 0 | 111 | D1317 I1369 G1370 R1375 | D1317-E1319 PolarHBondContact O-N 2.92Å; E1319-I1369 WeakPolarHBondContact O-CA 3.16Å; E1319-G1370 PolarHBondContact N-O 3.5Å; E1319-G1370 PolarHBondContact O-N 2.87Å; E1319-G1370 VanDerWaalsContact O-N 3.09Å; E1319-R1375 VanDerWaalsContact CB-NH1 3.35Å; E1319-R1375 WeakPolarHBondContact O-CD 3.31Å; E1319-R1375 IonicContact OE2-CZ 3.61Å; E1319-R1375 IonicContact OE2-NH1 3.14Å; E1319-R1375 PolarHBondContact OE2-NH1 2.88Å; E1319-R1375 IonicContact OE2-NH2 3.4Å; E1319-R1375 PolarHBondContact OE2-NH2 2.67Å |
| 1320 | E | 85.2 | Confident | 73.7 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.5 | 173.3 | 179.1 | 178.3 | 160.7 | 0 | 0 | 111.2 | F123 R278 R282 A1368 I1369 | F123-E1320 HydrophobicContact CE2-CG 4.01Å; F123-E1320 HydrophobicContact CZ-CG 4.48Å; R278-E1320 IonicContact CZ-OE1 3.46Å; R278-E1320 IonicContact CZ-OE2 2.83Å; R278-E1320 IonicContact NH1-OE1 3.32Å; R278-E1320 IonicContact NH1-OE2 3.36Å; R278-E1320 PolarHBondContact NH1-OE2 2.78Å; R278-E1320 IonicContact NH2-OE1 3.68Å; R278-E1320 PolarHBondContact NH2-OE1 2.95Å; R278-E1320 IonicContact NH2-OE2 3.27Å; R278-E1320 PolarHBondContact NH2-OE2 2.74Å; R282-E1320 VanDerWaalsContact CD-OE2 3.23Å; R282-E1320 WeakPolarHBondContact CD-OE2 3.48Å; R282-E1320 VanDerWaalsContact CZ-CD 3.46Å; R282-E1320 IonicContact CZ-OE1 2.62Å; R282-E1320 IonicContact CZ-OE2 2.78Å; R282-E1320 IonicContact NE-OE1 2.76Å; R282-E1320 PolarHBondContact NE-OE1 2.94Å; R282-E1320 IonicContact NE-OE2 2.72Å; R282-E1320 PolarHBondContact NH1-O 3.45Å; R282-E1320 IonicContact NH1-OE1 3.72Å; R282-E1320 IonicContact NH1-OE2 3.77Å; R282-E1320 IonicContact NH2-OE1 3.92Å; E1320-A1368 WeakPolarHBondContact CA-O 3.22Å; E1320-I1369 HydrophobicContact CB-CG1 4Å; E1320-I1369 HydrophobicContact CG-CG1 4.35Å |
| 1321 | M | 82.5 | Confident | 74.1 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 160.1 | 175.6 | 74.5 | -172 | -54.1 | 0 | 0 | 112.5 | R282 I1324 A1368 R1375 L1378 | R282-M1321 PolarHBondContact NH2-O 3.07Å; M1321-I1324 HydrophobicContact CE-CD1 3.32Å; M1321-I1324 HydrophobicContact CE-CG1 3.82Å; M1321-A1368 HydrophobicContact CG-CB 4.29Å; M1321-A1368 WeakPolarHBondContact CG-O 3.25Å; M1321-A1368 PolarHBondContact N-O 2.73Å; M1321-A1368 HydrophobicContact SD-CB 3.61Å; M1321-R1375 HydrophobicContact CB-CG 4.12Å; M1321-L1378 HydrophobicContact CE-CD2 4.4Å; M1321-L1378 HydrophobicContact SD-CD2 3.67Å |
| 1322 | D | 82.1 | Confident | 74.9 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 139.7 | 160.5 | -72.8 | -23.8 | 0 | 0 | 0 | 108.8 | R169 R282 W957 | R169-D1322 IonicContact CZ-OD1 3.83Å; R169-D1322 IonicContact NE-OD1 3.69Å; R169-D1322 PolarHBondContact NE-OD1 3.49Å; R169-D1322 IonicContact NH2-OD1 3.91Å; R169-D1322 PolarHBondContact NH2-OD1 2.78Å; R169-D1322 IonicContact NH2-OD2 2.74Å; R282-D1322 IonicContact NH2-OD1 3.77Å; R282-D1322 PolarHBondContact NH2-OD1 3.3Å; W957-D1322 HydrophobicContact CH2-CB 3.86Å; W957-D1322 WeakPolarHBondContact CH2-OD2 3.11Å; W957-D1322 HydrophobicContact CZ2-CB 3.9Å |
| 1323 | P | 87.5 | Confident | 76 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 146.3 | -172.4 | 24.8 | -34.1 | 0 | 0 | 0 | 111.3 | D167 I168 L1365 I1366 | D167-P1323 HydrophobicContact CB-CB 4.28Å; D167-P1323 HydrophobicContact CB-CG 4.14Å; D167-P1323 WeakPolarHBondContact O-CD 3.48Å; I168-P1323 HydrophobicContact CG2-CG 3.63Å; P1323-L1365 HydrophobicContact CB-CD2 4.38Å; P1323-I1366 CarbonylContact C-O 3.47Å; P1323-I1366 VanDerWaalsContact CA-O 3.26Å; P1323-I1366 WeakPolarHBondContact CA-O 3.31Å |
| 1324 | I | 85.6 | Confident | 77.5 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.6 | 174.7 | -64 | 174.5 | 0 | 0 | 0 | 108.4 | M1321 F1326 I1366 C1379 L1382 | M1321-I1324 HydrophobicContact CE-CD1 3.32Å; M1321-I1324 HydrophobicContact CE-CG1 3.82Å; I1324-F1326 PolarHBondContact O-N 3.38Å; I1324-I1366 PolarHBondContact N-O 3.24Å; I1324-I1366 PolarHBondContact O-N 3.12Å; I1324-C1379 HydrophobicContact CD1-CB 4.17Å; I1324-C1379 WeakPolarHBondContact CD1-SG 3.41Å; I1324-L1382 HydrophobicContact CB-CD1 3.9Å; I1324-L1382 HydrophobicContact CD1-CD1 3.75Å; I1324-L1382 HydrophobicContact CG1-CD1 4.42Å; I1324-L1382 HydrophobicContact CG2-CB 4.48Å; I1324-L1382 HydrophobicContact CG2-CD1 3.85Å |
| 1325 | T | 86.9 | Confident | 79.5 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 109.3 | 172.2 | -54.9 | 0 | 0 | 0 | 0 | 108.5 | S960 P962 Y1363 Y1364 L1365 | S960-T1325 VanDerWaalsContact C-OG1 3.29Å; S960-T1325 PolarHBondContact O-OG1 3.08Å; P962-T1325 WeakPolarHBondContact CA-O 3.4Å; P962-T1325 HydrophobicContact CB-CG2 4.23Å; T1325-Y1363 HydrophobicContact CG2-CD1 3.91Å; T1325-Y1363 HydrophobicContact CG2-CG 4.36Å; T1325-Y1364 CarbonylContact C-O 3.52Å; T1325-Y1364 WeakPolarHBondContact CA-O 3.28Å; T1325-L1365 WeakPolarHBondContact OG1-CD2 3.33Å |
| 1326 | F | 87.1 | Confident | 81.4 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 7% | 0.066 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130 | 176.7 | -178.2 | -122.9 | 0 | 0 | 0 | 109.8 | I1324 P1328 M1338 Y1364 I1366 L1382 L1387 | I1324-F1326 PolarHBondContact O-N 3.38Å; F1326-P1328 HydrophobicContact CD1-CB 4.35Å; F1326-P1328 HydrophobicContact CD1-CG 4.5Å; F1326-P1328 HydrophobicContact CE1-CB 3.69Å; F1326-P1328 HydrophobicContact CE1-CG 4.27Å; F1326-P1328 HydrophobicContact CZ-CB 4.09Å; F1326-M1338 HydrophobicContact CD1-CE 4.26Å; F1326-M1338 HydrophobicContact CD1-SD 4.42Å; F1326-M1338 HydrophobicContact CE1-CE 4.22Å; F1326-M1338 HydrophobicContact CE1-SD 4.17Å; F1326-Y1364 PolarHBondContact N-O 2.83Å; F1326-Y1364 PolarHBondContact O-N 3.47Å; F1326-I1366 HydrophobicContact CB-CD1 4.43Å; F1326-I1366 HydrophobicContact CB-CG1 3.75Å; F1326-I1366 HydrophobicContact CG-CG1 4.5Å; F1326-L1382 HydrophobicContact CB-CD2 4.17Å; F1326-L1382 HydrophobicContact CD1-CD2 4.47Å; F1326-L1382 HydrophobicContact CD2-CD2 3.69Å; F1326-L1382 HydrophobicContact CE2-CD2 4.17Å; F1326-L1382 HydrophobicContact CG-CD2 3.87Å; F1326-L1387 HydrophobicContact CE2-CD2 3.99Å; F1326-L1387 HydrophobicContact CZ-CD2 3.83Å |
| 1327 | L | 85.8 | Confident | 83 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 29% | 0.288 | 27% | 0.267 | S | S | . | . | trans | -113.8 | 97.5 | 170.6 | -180 | 64 | 0 | 0 | 0 | 107.5 | Y1363 | L1327-Y1363 HydrophobicContact CB-CD1 3.9Å; L1327-Y1363 HydrophobicContact CB-CE1 3.89Å; L1327-Y1363 HydrophobicContact CD1-CD1 3.81Å; L1327-Y1363 HydrophobicContact CD1-CE1 3.76Å; L1327-Y1363 HydrophobicContact CD1-CG 4.38Å; L1327-Y1363 HydrophobicContact CD2-CE1 3.79Å; L1327-Y1363 HydrophobicContact CG-CD1 4.29Å; L1327-Y1363 HydrophobicContact CG-CE1 4.01Å | ||
| 1328 | P | 83.5 | Confident | 84.3 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | trans | -63.2 | 151.6 | 177.4 | 25.4 | -31.7 | 0 | 0 | 0 | 110.8 | F1326 I1332 E1333 M1338 Y1364 | F1326-P1328 HydrophobicContact CD1-CB 4.35Å; F1326-P1328 HydrophobicContact CD1-CG 4.5Å; F1326-P1328 HydrophobicContact CE1-CB 3.69Å; F1326-P1328 HydrophobicContact CE1-CG 4.27Å; F1326-P1328 HydrophobicContact CZ-CB 4.09Å; P1328-I1332 HydrophobicContact CB-CB 4.2Å; P1328-I1332 HydrophobicContact CB-CG2 4.02Å; P1328-E1333 HydrophobicContact CB-CB 4.46Å; P1328-E1333 HydrophobicContact CG-CB 4.34Å; P1328-M1338 HydrophobicContact CB-SD 4.43Å; P1328-M1338 HydrophobicContact CG-SD 4.26Å; P1328-Y1364 HydrophobicContact CG-CD2 3.85Å; P1328-Y1364 HydrophobicContact CG-CE2 3.83Å | ||
| 1329 | T | 82.7 | Confident | 85.1 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 36% | 0.356 | 27% | 0.272 | S | S | . | . | trans | -65.1 | 149.7 | 164.4 | 59.7 | 0 | 0 | 0 | 0 | 108.6 | T1331 I1332 E1333 E1388 | T1329-T1331 PolarHBondContact O-N 2.95Å; T1329-I1332 PolarHBondContact O-N 2.94Å; T1329-I1332 WeakPolarHBondContact OG1-CD1 3.39Å; T1329-I1332 VanDerWaalsContact OG1-CG1 3.28Å; T1329-I1332 WeakPolarHBondContact OG1-CG1 3.47Å; T1329-I1332 PolarHBondContact OG1-N 2.88Å; T1329-E1333 PolarHBondContact O-N 3.45Å; T1329-E1388 PolarHBondContact OG1-OE2 3.49Å | ||
| 1330 | P | 80.9 | Confident | 85.7 | Confident | 87 Ų | 87 | 51.8 Ų | 51.8 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -51.6 | -33.5 | 175.4 | -27.4 | 34.9 | 0 | 0 | 0 | 112.4 | Q1334 | P1330-Q1334 VanDerWaalsContact O-CB 3.31Å; P1330-Q1334 WeakPolarHBondContact O-CB 3.47Å; P1330-Q1334 WeakPolarHBondContact O-CG 3.48Å; P1330-Q1334 PolarHBondContact O-N 3.43Å |
| 1331 | T | 82.3 | Confident | 86.1 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 176.2 | -39.7 | 0 | 0 | 0 | 0 | 113 | T1329 E1333 Q1334 L1335 E1388 | T1329-T1331 PolarHBondContact O-N 2.95Å; T1331-E1333 VanDerWaalsContact C-N 3.35Å; T1331-E1333 PolarHBondContact O-N 2.84Å; T1331-Q1334 PolarHBondContact O-N 3.13Å; T1331-L1335 HydrophobicContact CG2-CD1 3.49Å; T1331-L1335 VanDerWaalsContact CG2-CD1 3.49Å; T1331-L1335 HydrophobicContact CG2-CG 4.15Å; T1331-L1335 VanDerWaalsContact O-CB 3.32Å; T1331-L1335 WeakPolarHBondContact O-CB 3.42Å; T1331-L1335 WeakPolarHBondContact O-CG 3.21Å; T1331-L1335 PolarHBondContact O-N 2.81Å; T1331-E1388 WeakPolarHBondContact CB-OE1 3.37Å; T1331-E1388 WeakPolarHBondContact CG2-OE1 3.5Å |
| 1332 | I | 84.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 179.6 | -74.4 | 169.7 | 0 | 0 | 0 | 110.5 | P1328 T1329 Y1336 V1341 E1388 L1391 | P1328-I1332 HydrophobicContact CB-CB 4.2Å; P1328-I1332 HydrophobicContact CB-CG2 4.02Å; T1329-I1332 PolarHBondContact O-N 2.94Å; T1329-I1332 WeakPolarHBondContact OG1-CD1 3.39Å; T1329-I1332 VanDerWaalsContact OG1-CG1 3.28Å; T1329-I1332 WeakPolarHBondContact OG1-CG1 3.47Å; T1329-I1332 PolarHBondContact OG1-N 2.88Å; I1332-Y1336 PolarHBondContact O-N 3.28Å; I1332-V1341 HydrophobicContact CG2-CG1 4.45Å; I1332-V1341 HydrophobicContact CG2-CG2 3.71Å; I1332-E1388 HydrophobicContact CD1-CB 4.15Å; I1332-E1388 HydrophobicContact CG1-CB 4.08Å; I1332-E1388 HydrophobicContact CG1-CG 4.07Å; I1332-L1391 HydrophobicContact CD1-CD1 4.4Å; I1332-L1391 HydrophobicContact CG1-CD1 4.18Å; I1332-L1391 HydrophobicContact CG2-CD1 4.11Å |
| 1333 | E | 82.1 | Confident | 87.1 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | -177.5 | -169.2 | -179.7 | 175.8 | 0 | 0 | 111.7 | P1328 T1329 T1331 G1337 Y1364 | P1328-E1333 HydrophobicContact CB-CB 4.46Å; P1328-E1333 HydrophobicContact CG-CB 4.34Å; T1329-E1333 PolarHBondContact O-N 3.45Å; T1331-E1333 VanDerWaalsContact C-N 3.35Å; T1331-E1333 PolarHBondContact O-N 2.84Å; E1333-G1337 PolarHBondContact O-N 2.89Å; E1333-Y1364 PolarHBondContact OE1-OH 3.45Å; E1333-Y1364 VanDerWaalsContact OE1-OH 3.04Å |
| 1334 | Q | 85.1 | Confident | 87.4 | Confident | 166 Ų | 166 | 53.2 Ų | 53.2 | 78% | 0.776 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -73 | -38 | -177.3 | -71.8 | 177.7 | 1 | 0 | 0 | 113.8 | P1330 T1331 | P1330-Q1334 VanDerWaalsContact O-CB 3.31Å; P1330-Q1334 WeakPolarHBondContact O-CB 3.47Å; P1330-Q1334 WeakPolarHBondContact O-CG 3.48Å; P1330-Q1334 PolarHBondContact O-N 3.43Å; T1331-Q1334 PolarHBondContact O-N 3.13Å |
| 1335 | L | 87.7 | Confident | 87.8 | Confident | 121 Ų | 121 | 52.5 Ų | 52.5 | 63% | 0.634 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -86.5 | -40.6 | -173.6 | -68.5 | -178.7 | 0 | 0 | 0 | 113.8 | T1331 | T1331-L1335 HydrophobicContact CG2-CD1 3.49Å; T1331-L1335 VanDerWaalsContact CG2-CD1 3.49Å; T1331-L1335 HydrophobicContact CG2-CG 4.15Å; T1331-L1335 VanDerWaalsContact O-CB 3.32Å; T1331-L1335 WeakPolarHBondContact O-CB 3.42Å; T1331-L1335 WeakPolarHBondContact O-CG 3.21Å; T1331-L1335 PolarHBondContact O-N 2.81Å |
| 1336 | Y | 88 | Confident | 88.2 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -106.8 | -27.4 | -171 | -56.6 | -77.9 | 0 | 0 | 0 | 113 | I1332 H1340 L1391 K1392 | I1332-Y1336 PolarHBondContact O-N 3.28Å; Y1336-H1340 VanDerWaalsContact O-CB 3.27Å; Y1336-H1340 WeakPolarHBondContact O-CB 3.07Å; Y1336-L1391 HydrophobicContact CD1-CB 4.48Å; Y1336-L1391 HydrophobicContact CD2-CB 4.32Å; Y1336-L1391 HydrophobicContact CD2-CD1 4.33Å; Y1336-L1391 HydrophobicContact CE1-CB 4.24Å; Y1336-L1391 HydrophobicContact CE2-CB 4.06Å; Y1336-K1392 WeakPolarHBondContact OH-CA 3.42Å; Y1336-K1392 VanDerWaalsContact OH-CB 3.28Å; Y1336-K1392 WeakPolarHBondContact OH-CB 3.08Å; Y1336-K1392 PolarHBondContact OH-N 2.89Å |
| 1337 | G | 88.8 | Confident | 88.5 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | trans | 70.7 | 146.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1333 E1339 H1340 V1341 | E1333-G1337 PolarHBondContact O-N 2.89Å; G1337-E1339 VanDerWaalsContact C-N 3.32Å; G1337-E1339 PolarHBondContact O-N 2.88Å; G1337-H1340 PolarHBondContact O-N 2.84Å; G1337-V1341 WeakPolarHBondContact O-CG2 3.26Å; G1337-V1341 PolarHBondContact O-N 2.89Å | ||
| 1338 | M | 90.4 | Very high | 88.8 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -28.6 | -172.1 | -82.5 | -51.9 | -37.8 | 0 | 0 | 114.9 | F1326 P1328 V1341 C1342 Y1356 Y1364 | F1326-M1338 HydrophobicContact CD1-CE 4.26Å; F1326-M1338 HydrophobicContact CD1-SD 4.42Å; F1326-M1338 HydrophobicContact CE1-CE 4.22Å; F1326-M1338 HydrophobicContact CE1-SD 4.17Å; P1328-M1338 HydrophobicContact CB-SD 4.43Å; P1328-M1338 HydrophobicContact CG-SD 4.26Å; M1338-V1341 HydrophobicContact CE-CB 3.97Å; M1338-V1341 HydrophobicContact CE-CG1 3.92Å; M1338-V1341 PolarHBondContact O-N 2.97Å; M1338-V1341 HydrophobicContact SD-CB 4.5Å; M1338-C1342 WeakPolarHBondContact CE-SG 3.49Å; M1338-C1342 VanDerWaalsContact O-CB 3.28Å; M1338-C1342 WeakPolarHBondContact O-CB 3.41Å; M1338-C1342 PolarHBondContact O-N 3.32Å; M1338-C1342 PolarHBondContact O-SG 3.16Å; M1338-Y1356 HydrophobicContact CB-CD2 4.13Å; M1338-Y1356 HydrophobicContact CB-CE2 3.66Å; M1338-Y1364 HydrophobicContact CB-CE1 4.45Å; M1338-Y1364 HydrophobicContact CG-CD1 4.18Å; M1338-Y1364 HydrophobicContact CG-CD2 4.08Å; M1338-Y1364 HydrophobicContact CG-CE1 3.79Å; M1338-Y1364 HydrophobicContact CG-CE2 3.68Å; M1338-Y1364 HydrophobicContact CG-CG 4.3Å; M1338-Y1364 HydrophobicContact SD-CD2 4.13Å; M1338-Y1364 HydrophobicContact SD-CE2 4.15Å |
| 1339 | E | 91.1 | Very high | 89.2 | Confident | 148 Ų | 148 | 58.9 Ų | 58.9 | 69% | 0.692 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.7 | -46.9 | 177.9 | -171.2 | 174.9 | -176.8 | 0 | 0 | 111 | G1337 C1342 E1343 Y1356 | G1337-E1339 VanDerWaalsContact C-N 3.32Å; G1337-E1339 PolarHBondContact O-N 2.88Å; E1339-C1342 PolarHBondContact O-N 3.22Å; E1339-E1343 PolarHBondContact O-N 3.26Å; E1339-Y1356 WeakPolarHBondContact CA-OH 3.15Å; E1339-Y1356 WeakPolarHBondContact CB-OH 3.45Å; E1339-Y1356 PolarHBondContact N-OH 3.45Å |
| 1340 | H | 90.9 | Very high | 89.4 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 38% | 0.384 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -46 | 177.4 | -174 | 76.1 | 0 | 0 | 0 | 111.9 | Y1336 G1337 C1342 E1343 K1344 | Y1336-H1340 VanDerWaalsContact O-CB 3.27Å; Y1336-H1340 WeakPolarHBondContact O-CB 3.07Å; G1337-H1340 PolarHBondContact O-N 2.84Å; H1340-C1342 VanDerWaalsContact C-N 3.32Å; H1340-C1342 PolarHBondContact O-N 3.38Å; H1340-E1343 PolarHBondContact O-N 3.12Å; H1340-K1344 VanDerWaalsContact CE1-CE 3.49Å; H1340-K1344 WeakPolarHBondContact CE1-CE 3.32Å; H1340-K1344 WeakPolarHBondContact NE2-CE 3.49Å; H1340-K1344 WeakPolarHBondContact O-CG 3.33Å; H1340-K1344 PolarHBondContact O-N 3.44Å |
| 1341 | V | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58 | -46.4 | 178.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | I1332 G1337 M1338 E1343 K1344 L1345 L1391 | I1332-V1341 HydrophobicContact CG2-CG1 4.45Å; I1332-V1341 HydrophobicContact CG2-CG2 3.71Å; G1337-V1341 WeakPolarHBondContact O-CG2 3.26Å; G1337-V1341 PolarHBondContact O-N 2.89Å; M1338-V1341 HydrophobicContact CE-CB 3.97Å; M1338-V1341 HydrophobicContact CE-CG1 3.92Å; M1338-V1341 PolarHBondContact O-N 2.97Å; M1338-V1341 HydrophobicContact SD-CB 4.5Å; V1341-E1343 PolarHBondContact O-N 3.18Å; V1341-K1344 PolarHBondContact O-N 3.4Å; V1341-L1345 HydrophobicContact CG1-CD1 4Å; V1341-L1345 HydrophobicContact CG1-CG 4.44Å; V1341-L1345 WeakPolarHBondContact O-CB 3.38Å; V1341-L1345 VanDerWaalsContact O-CG 3.27Å; V1341-L1345 WeakPolarHBondContact O-CG 3.37Å; V1341-L1345 PolarHBondContact O-N 3.06Å; V1341-L1391 HydrophobicContact CG1-CD1 4.34Å; V1341-L1391 HydrophobicContact CG2-CD1 3.96Å; V1341-L1391 HydrophobicContact CG2-CD2 4.38Å |
| 1342 | C | 93.1 | Very high | 90.3 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 179.2 | -74.7 | 0 | 0 | 0 | 0 | 112.7 | M1338 E1339 H1340 L1345 R1346 L1354 Y1356 | M1338-C1342 WeakPolarHBondContact CE-SG 3.49Å; M1338-C1342 VanDerWaalsContact O-CB 3.28Å; M1338-C1342 WeakPolarHBondContact O-CB 3.41Å; M1338-C1342 PolarHBondContact O-N 3.32Å; M1338-C1342 PolarHBondContact O-SG 3.16Å; E1339-C1342 PolarHBondContact O-N 3.22Å; H1340-C1342 VanDerWaalsContact C-N 3.32Å; H1340-C1342 PolarHBondContact O-N 3.38Å; C1342-L1345 PolarHBondContact O-N 3.38Å; C1342-R1346 WeakPolarHBondContact O-CB 3.3Å; C1342-R1346 PolarHBondContact O-N 3.36Å; C1342-L1354 HydrophobicContact CB-CD2 3.56Å; C1342-Y1356 HydrophobicContact CB-CD1 3.77Å; C1342-Y1356 HydrophobicContact CB-CE1 4.11Å; C1342-Y1356 WeakPolarHBondContact SG-CD1 3.42Å; C1342-Y1356 VanDerWaalsContact SG-CG 3.58Å |
| 1343 | E | 93.7 | Very high | 90.5 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 175.7 | -179.2 | 57.9 | -168.1 | 0 | 0 | 111.7 | E1339 H1340 V1341 R1346 I1347 | E1339-E1343 PolarHBondContact O-N 3.26Å; H1340-E1343 PolarHBondContact O-N 3.12Å; V1341-E1343 PolarHBondContact O-N 3.18Å; E1343-R1346 VanDerWaalsContact CD-NH2 3.26Å; E1343-R1346 WeakPolarHBondContact O-CB 3.5Å; E1343-R1346 PolarHBondContact O-N 3.43Å; E1343-R1346 IonicContact OE1-CZ 2.8Å; E1343-R1346 IonicContact OE1-NE 3.25Å; E1343-R1346 IonicContact OE1-NH2 2.69Å; E1343-R1346 PolarHBondContact OE1-NH2 2.77Å; E1343-R1346 IonicContact OE2-CZ 3.95Å; E1343-R1346 VanDerWaalsContact OE2-CZ 3.27Å; E1343-R1346 IonicContact OE2-NE 3.59Å; E1343-R1346 PolarHBondContact OE2-NE 3.15Å; E1343-R1346 IonicContact OE2-NH2 3.55Å; E1343-R1346 PolarHBondContact OE2-NH2 3.07Å; E1343-I1347 HydrophobicContact CG-CD1 4.13Å; E1343-I1347 VanDerWaalsContact O-CG1 3.31Å; E1343-I1347 WeakPolarHBondContact O-CG1 3.44Å; E1343-I1347 PolarHBondContact O-N 3.3Å |
| 1344 | K | 93.5 | Very high | 91.1 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 173.7 | -68.5 | -63 | -177.5 | 179.6 | 0 | 112.1 | H1340 V1341 R1346 I1347 W1348 L1391 D1394 | H1340-K1344 VanDerWaalsContact CE1-CE 3.49Å; H1340-K1344 WeakPolarHBondContact CE1-CE 3.32Å; H1340-K1344 WeakPolarHBondContact NE2-CE 3.49Å; H1340-K1344 WeakPolarHBondContact O-CG 3.33Å; H1340-K1344 PolarHBondContact O-N 3.44Å; V1341-K1344 PolarHBondContact O-N 3.4Å; K1344-R1346 VanDerWaalsContact C-N 3.28Å; K1344-R1346 PolarHBondContact O-N 3.07Å; K1344-I1347 PolarHBondContact O-N 2.94Å; K1344-W1348 HydrophobicContact CB-CD2 4.39Å; K1344-W1348 HydrophobicContact CB-CE3 4.33Å; K1344-W1348 HydrophobicContact CB-CH2 4.17Å; K1344-W1348 HydrophobicContact CB-CZ2 4.21Å; K1344-W1348 HydrophobicContact CB-CZ3 4.22Å; K1344-W1348 HydrophobicContact CD-CZ2 4.26Å; K1344-W1348 WeakPolarHBondContact O-CB 3.42Å; K1344-W1348 VanDerWaalsContact O-CG 3.3Å; K1344-W1348 PolarHBondContact O-N 3.35Å; K1344-L1391 HydrophobicContact CB-CD2 4.06Å; K1344-L1391 HydrophobicContact CG-CD2 4.17Å; K1344-D1394 WeakPolarHBondContact CD-OD1 3.37Å; K1344-D1394 WeakPolarHBondContact CE-OD1 3.31Å; K1344-D1394 IonicContact NZ-OD1 2.97Å; K1344-D1394 PolarHBondContact NZ-OD1 3.3Å; K1344-D1394 IonicContact NZ-OD2 3.88Å; K1344-D1394 PolarHBondContact NZ-OD2 3.19Å |
| 1345 | L | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 175.6 | -72.4 | 172.6 | 0 | 0 | 0 | 112.1 | V1341 C1342 S1349 L1354 L1378 L1381 L1382 L1387 | V1341-L1345 HydrophobicContact CG1-CD1 4Å; V1341-L1345 HydrophobicContact CG1-CG 4.44Å; V1341-L1345 WeakPolarHBondContact O-CB 3.38Å; V1341-L1345 VanDerWaalsContact O-CG 3.27Å; V1341-L1345 WeakPolarHBondContact O-CG 3.37Å; V1341-L1345 PolarHBondContact O-N 3.06Å; C1342-L1345 PolarHBondContact O-N 3.38Å; L1345-S1349 WeakPolarHBondContact O-CB 3.35Å; L1345-S1349 PolarHBondContact O-N 3.22Å; L1345-S1349 PolarHBondContact O-OG 3.34Å; L1345-L1354 HydrophobicContact CB-CD1 4.02Å; L1345-L1378 HydrophobicContact CB-CD1 3.93Å; L1345-L1378 HydrophobicContact CD2-CD1 4.43Å; L1345-L1381 HydrophobicContact CD2-CB 3.66Å; L1345-L1381 HydrophobicContact CD2-CD1 4.24Å; L1345-L1381 HydrophobicContact CD2-CG 4.45Å; L1345-L1382 HydrophobicContact CD1-CD2 3.66Å; L1345-L1382 HydrophobicContact CD1-CG 4.5Å; L1345-L1387 HydrophobicContact CD2-CD1 4.08Å |
| 1346 | R | 94.7 | Very high | 91.7 | Very high | 89 Ų | 89 | 51.3 Ų | 51.3 | 34% | 0.336 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 176.1 | -173.7 | 178.2 | 72.8 | 117.9 | 1.1 | 111.2 | C1342 E1343 K1344 S1349 G1350 V1351 L1354 | C1342-R1346 WeakPolarHBondContact O-CB 3.3Å; C1342-R1346 PolarHBondContact O-N 3.36Å; E1343-R1346 VanDerWaalsContact CD-NH2 3.26Å; E1343-R1346 WeakPolarHBondContact O-CB 3.5Å; E1343-R1346 PolarHBondContact O-N 3.43Å; E1343-R1346 IonicContact OE1-CZ 2.8Å; E1343-R1346 IonicContact OE1-NE 3.25Å; E1343-R1346 IonicContact OE1-NH2 2.69Å; E1343-R1346 PolarHBondContact OE1-NH2 2.77Å; E1343-R1346 IonicContact OE2-CZ 3.95Å; E1343-R1346 VanDerWaalsContact OE2-CZ 3.27Å; E1343-R1346 IonicContact OE2-NE 3.59Å; E1343-R1346 PolarHBondContact OE2-NE 3.15Å; E1343-R1346 IonicContact OE2-NH2 3.55Å; E1343-R1346 PolarHBondContact OE2-NH2 3.07Å; K1344-R1346 VanDerWaalsContact C-N 3.28Å; K1344-R1346 PolarHBondContact O-N 3.07Å; R1346-S1349 PolarHBondContact O-OG 2.9Å; R1346-G1350 PolarHBondContact O-N 3.44Å; R1346-V1351 HydrophobicContact CB-CG2 4.39Å; R1346-V1351 HydrophobicContact CG-CG2 3.98Å; R1346-L1354 HydrophobicContact CB-CB 4.01Å; R1346-L1354 HydrophobicContact CB-CD1 4.2Å; R1346-L1354 HydrophobicContact CG-CB 4.09Å |
| 1347 | I | 92.6 | Very high | 91.8 | Very high | 98 Ų | 98 | 50 Ų | 50 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.4 | -51.7 | 179.2 | -66.4 | 165.4 | 0 | 0 | 0 | 111 | E1343 K1344 G1350 | E1343-I1347 HydrophobicContact CG-CD1 4.13Å; E1343-I1347 VanDerWaalsContact O-CG1 3.31Å; E1343-I1347 WeakPolarHBondContact O-CG1 3.44Å; E1343-I1347 PolarHBondContact O-N 3.3Å; K1344-I1347 PolarHBondContact O-N 2.94Å; I1347-G1350 PolarHBondContact O-N 3.15Å |
| 1348 | W | 92.8 | Very high | 91.7 | Very high | 34 Ų | 34 | 54.5 Ų | 54.5 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.9 | -36.2 | -176.3 | -64.6 | -23.4 | 0 | 0 | 0 | 113.3 | K1344 L1381 L1387 A1390 L1391 C1396 | K1344-W1348 HydrophobicContact CB-CD2 4.39Å; K1344-W1348 HydrophobicContact CB-CE3 4.33Å; K1344-W1348 HydrophobicContact CB-CH2 4.17Å; K1344-W1348 HydrophobicContact CB-CZ2 4.21Å; K1344-W1348 HydrophobicContact CB-CZ3 4.22Å; K1344-W1348 HydrophobicContact CD-CZ2 4.26Å; K1344-W1348 WeakPolarHBondContact O-CB 3.42Å; K1344-W1348 VanDerWaalsContact O-CG 3.3Å; K1344-W1348 PolarHBondContact O-N 3.35Å; W1348-L1381 HydrophobicContact CB-CD1 3.74Å; W1348-L1381 HydrophobicContact CB-CD2 4.48Å; W1348-L1381 HydrophobicContact CE3-CD2 4.2Å; W1348-L1387 HydrophobicContact CZ3-CD1 4.02Å; W1348-A1390 HydrophobicContact CH2-CB 4.03Å; W1348-A1390 HydrophobicContact CZ3-CB 4.17Å; W1348-L1391 HydrophobicContact CH2-CD2 3.94Å; W1348-L1391 HydrophobicContact CH2-CG 4.3Å; W1348-L1391 HydrophobicContact CZ3-CD2 4.14Å; W1348-L1391 HydrophobicContact CZ3-CG 4.46Å; W1348-C1396 HydrophobicContact CB-CB 4.36Å; W1348-C1396 HydrophobicContact CD2-CB 4.33Å; W1348-C1396 HydrophobicContact CG-CB 3.93Å |
| 1349 | S | 91.2 | Very high | 91 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -77.1 | -28.7 | 177 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | L1345 R1346 V1351 A1374 R1377 | L1345-S1349 WeakPolarHBondContact O-CB 3.35Å; L1345-S1349 PolarHBondContact O-N 3.22Å; L1345-S1349 PolarHBondContact O-OG 3.34Å; R1346-S1349 PolarHBondContact O-OG 2.9Å; S1349-V1351 VanDerWaalsContact C-N 3.32Å; S1349-V1351 WeakPolarHBondContact OG-CG2 3.41Å; S1349-V1351 PolarHBondContact OG-N 2.98Å; S1349-A1374 WeakPolarHBondContact O-CA 3.29Å; S1349-A1374 WeakPolarHBondContact O-CB 3.34Å; S1349-R1377 PolarHBondContact O-NE 3.5Å; S1349-R1377 PolarHBondContact O-NH2 3.35Å |
| 1350 | G | 88.8 | Confident | 90.1 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 20.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1346 I1347 | R1346-G1350 PolarHBondContact O-N 3.44Å; I1347-G1350 PolarHBondContact O-N 3.15Å |
| 1351 | V | 91.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | trans | -68.1 | 143.3 | 172.2 | -63.1 | 0 | 0 | 0 | 0 | 109.9 | R1346 S1349 L1354 A1368 I1369 A1374 L1378 | R1346-V1351 HydrophobicContact CB-CG2 4.39Å; R1346-V1351 HydrophobicContact CG-CG2 3.98Å; S1349-V1351 VanDerWaalsContact C-N 3.32Å; S1349-V1351 WeakPolarHBondContact OG-CG2 3.41Å; S1349-V1351 PolarHBondContact OG-N 2.98Å; V1351-L1354 HydrophobicContact CG2-CB 3.97Å; V1351-L1354 HydrophobicContact CG2-CD1 4.16Å; V1351-A1368 HydrophobicContact CB-CB 4.19Å; V1351-A1368 HydrophobicContact CG1-CB 4.19Å; V1351-A1368 HydrophobicContact CG2-CB 4.06Å; V1351-I1369 CarbonylContact C-O 3.54Å; V1351-A1374 HydrophobicContact CB-CB 4.49Å; V1351-A1374 HydrophobicContact CG1-CB 3.79Å; V1351-L1378 HydrophobicContact CG1-CB 4.28Å; V1351-L1378 HydrophobicContact CG1-CD2 4.16Å | ||
| 1352 | T | 88.9 | Confident | 88.6 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -64.3 | -42.5 | -177.9 | -46 | 0 | 0 | 0 | 0 | 112 | I1369 | T1352-I1369 WeakPolarHBondContact CA-O 3.48Å; T1352-I1369 WeakPolarHBondContact CB-O 3.41Å; T1352-I1369 PolarHBondContact N-O 3.37Å |
| 1353 | D | 90.5 | Very high | 88.3 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 144.4 | 179.6 | -156.4 | -30.1 | 0 | 0 | 0 | 109.4 | F123 R1355 A1368 I1369 | F123-D1353 HydrophobicContact CB-CB 4.34Å; F123-D1353 WeakPolarHBondContact CB-OD2 3.42Å; F123-D1353 HydrophobicContact CD1-CB 3.81Å; F123-D1353 HydrophobicContact CG-CB 4.46Å; D1353-R1355 IonicContact OD1-NE 2.85Å; D1353-R1355 PolarHBondContact OD1-NE 3.23Å; D1353-A1368 CarbonylContact O-C 3.53Å; D1353-A1368 WeakPolarHBondContact O-CA 3.33Å; D1353-A1368 VanDerWaalsContact O-CB 3.31Å; D1353-A1368 WeakPolarHBondContact O-CB 3.23Å; D1353-I1369 HydrophobicContact CB-CB 4.44Å; D1353-I1369 PolarHBondContact N-O 3.49Å; D1353-I1369 VanDerWaalsContact N-O 3.13Å; D1353-I1369 PolarHBondContact O-N 2.81Å |
| 1354 | L | 93.8 | Very high | 88 | Confident | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 129.2 | -179 | -173.5 | 158.8 | 0 | 0 | 0 | 108.9 | C1342 L1345 R1346 V1351 I1366 S1367 A1368 L1378 | C1342-L1354 HydrophobicContact CB-CD2 3.56Å; L1345-L1354 HydrophobicContact CB-CD1 4.02Å; R1346-L1354 HydrophobicContact CB-CB 4.01Å; R1346-L1354 HydrophobicContact CB-CD1 4.2Å; R1346-L1354 HydrophobicContact CG-CB 4.09Å; V1351-L1354 HydrophobicContact CG2-CB 3.97Å; V1351-L1354 HydrophobicContact CG2-CD1 4.16Å; L1354-I1366 HydrophobicContact CD1-CG2 4.25Å; L1354-I1366 HydrophobicContact CD2-CG2 4.07Å; L1354-I1366 HydrophobicContact CG-CG2 4.09Å; L1354-S1367 WeakPolarHBondContact CA-O 3.34Å; L1354-A1368 HydrophobicContact CB-CB 4.33Å; L1354-A1368 HydrophobicContact CG-CB 4.34Å; L1354-L1378 HydrophobicContact CD1-CD1 3.78Å; L1354-L1378 HydrophobicContact CD1-CD2 3.88Å |
| 1355 | R | 92.9 | Very high | 87.9 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.1 | -180 | -61.7 | -66.4 | 178.3 | 153.4 | 4.4 | 110 | F123 P125 D1353 S1367 | F123-R1355 HydrophobicContact CD1-CB 4.26Å; F123-R1355 HydrophobicContact CD1-CG 3.43Å; F123-R1355 VanDerWaalsContact CD1-CG 3.43Å; F123-R1355 HydrophobicContact CE1-CB 3.88Å; F123-R1355 HydrophobicContact CE1-CG 3.57Å; F123-R1355 HydrophobicContact CG-CG 4.31Å; P125-R1355 HydrophobicContact CG-CB 3.44Å; P125-R1355 VanDerWaalsContact CG-CB 3.44Å; P125-R1355 HydrophobicContact CG-CG 4.06Å; D1353-R1355 IonicContact OD1-NE 2.85Å; D1353-R1355 PolarHBondContact OD1-NE 3.23Å; R1355-S1367 PolarHBondContact N-O 2.76Å; R1355-S1367 PolarHBondContact O-N 3.15Å; R1355-S1367 VanDerWaalsContact O-O 3.11Å |
| 1356 | Y | 91.8 | Very high | 87.8 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152.6 | 176.8 | 68.9 | -83.1 | 0 | 0 | 0 | 111.7 | M1338 E1339 C1342 Y1364 L1365 | M1338-Y1356 HydrophobicContact CB-CD2 4.13Å; M1338-Y1356 HydrophobicContact CB-CE2 3.66Å; E1339-Y1356 WeakPolarHBondContact CA-OH 3.15Å; E1339-Y1356 WeakPolarHBondContact CB-OH 3.45Å; E1339-Y1356 PolarHBondContact N-OH 3.45Å; C1342-Y1356 HydrophobicContact CB-CD1 3.77Å; C1342-Y1356 HydrophobicContact CB-CE1 4.11Å; C1342-Y1356 WeakPolarHBondContact SG-CD1 3.42Å; C1342-Y1356 VanDerWaalsContact SG-CG 3.58Å; Y1356-Y1364 AromaticContact CD2-CD1 3.98Å; Y1356-Y1364 HydrophobicContact CD2-CD1 3.98Å; Y1356-Y1364 HydrophobicContact CD2-CE1 4.34Å; Y1356-L1365 CarbonylContact C-O 3.48Å; Y1356-L1365 WeakPolarHBondContact CA-O 3.28Å |
| 1357 | R | 90.1 | Very high | 87.7 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 145.6 | 171.3 | 63.5 | -175.3 | -178.5 | 112.3 | -4.9 | 111.8 | E165 D167 Y1364 L1365 | E165-R1357 IonicContact OE2-CZ 3.99Å; E165-R1357 IonicContact OE2-NH1 3.66Å; E165-R1357 PolarHBondContact OE2-NH1 2.68Å; E165-R1357 IonicContact OE2-NH2 3.21Å; E165-R1357 PolarHBondContact OE2-NH2 2.85Å; D167-R1357 IonicContact OD1-CZ 2.71Å; D167-R1357 IonicContact OD1-NE 3.61Å; D167-R1357 IonicContact OD1-NH2 3.47Å; D167-R1357 PolarHBondContact OD1-NH2 2.97Å; D167-R1357 IonicContact OD2-CZ 3.32Å; D167-R1357 IonicContact OD2-NE 3.84Å; D167-R1357 PolarHBondContact OD2-NE 2.87Å; D167-R1357 IonicContact OD2-NH2 2.61Å; D167-R1357 PolarHBondContact OD2-NH2 3.35Å; R1357-Y1364 CarbonylContact O-C 3.59Å; R1357-Y1364 WeakPolarHBondContact O-CA 3.48Å; R1357-L1365 HydrophobicContact CG-CB 4.03Å; R1357-L1365 HydrophobicContact CG-CD1 4.46Å; R1357-L1365 PolarHBondContact N-O 3.31Å; R1357-L1365 PolarHBondContact O-N 2.96Å |
| 1358 | E | 86.7 | Confident | 87.6 | Confident | 123 Ų | 123 | 45.7 Ų | 45.7 | 58% | 0.575 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136 | 176.3 | -158.9 | -166.8 | 152.4 | 0 | 0 | 110.8 | Y1364 | E1358-Y1364 HydrophobicContact CB-CD1 4.35Å; E1358-Y1364 HydrophobicContact CB-CE1 4.14Å; E1358-Y1364 HydrophobicContact CG-CE1 4.23Å |
| 1359 | K | 77.2 | Confident | 87.5 | Confident | 103 Ų | 103 | 45.3 Ų | 45.3 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -3.5 | 175.6 | -163.1 | -179.5 | -179.6 | 174.9 | 0 | 112.4 | S960 Y1363 L1365 | S960-K1359 PolarHBondContact O-NZ 2.95Å; K1359-Y1363 PolarHBondContact N-O 3.19Å; K1359-L1365 HydrophobicContact CB-CD1 4.43Å; K1359-L1365 HydrophobicContact CB-CG 4.32Å; K1359-L1365 HydrophobicContact CD-CD1 4Å; K1359-L1365 HydrophobicContact CD-CD2 4.11Å; K1359-L1365 HydrophobicContact CD-CG 4.01Å; K1359-L1365 HydrophobicContact CG-CD1 4.27Å |
| 1360 | G | 72 | Confident | 87.2 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.3 | 163.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | G1362 Y1363 | G1360-G1362 PolarHBondContact O-N 3.27Å; G1360-Y1363 VanDerWaalsContact O-CD2 3.32Å; G1360-Y1363 WeakPolarHBondContact O-CD2 3.41Å; G1360-Y1363 PolarHBondContact O-N 2.72Å |
| 1361 | S | 73.7 | Confident | 86.8 | Confident | 113 Ų | 113 | 45.8 Ų | 45.8 | 79% | 0.79 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 30.4 | -177.1 | -50.2 | 0 | 0 | 0 | 0 | 114.8 | Y1363 | S1361-Y1363 VanDerWaalsContact C-N 3.34Å; S1361-Y1363 PolarHBondContact O-N 3.05Å |
| 1362 | G | 78 | Confident | 85.9 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 4.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1360 | G1360-G1362 PolarHBondContact O-N 3.27Š|
| 1363 | Y | 85.3 | Confident | 85.1 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 26% | 0.255 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.3 | 177.5 | -63.4 | -78.6 | 0 | 0 | 0 | 112 | P962 T1325 L1327 K1359 G1360 S1361 | P962-Y1363 HydrophobicContact CB-CE1 4.31Å; P962-Y1363 HydrophobicContact CG-CD1 4.48Å; P962-Y1363 HydrophobicContact CG-CE1 3.87Å; T1325-Y1363 HydrophobicContact CG2-CD1 3.91Å; T1325-Y1363 HydrophobicContact CG2-CG 4.36Å; L1327-Y1363 HydrophobicContact CB-CD1 3.9Å; L1327-Y1363 HydrophobicContact CB-CE1 3.89Å; L1327-Y1363 HydrophobicContact CD1-CD1 3.81Å; L1327-Y1363 HydrophobicContact CD1-CE1 3.76Å; L1327-Y1363 HydrophobicContact CD1-CG 4.38Å; L1327-Y1363 HydrophobicContact CD2-CE1 3.79Å; L1327-Y1363 HydrophobicContact CG-CD1 4.29Å; L1327-Y1363 HydrophobicContact CG-CE1 4.01Å; K1359-Y1363 PolarHBondContact N-O 3.19Å; G1360-Y1363 VanDerWaalsContact O-CD2 3.32Å; G1360-Y1363 WeakPolarHBondContact O-CD2 3.41Å; G1360-Y1363 PolarHBondContact O-N 2.72Å; S1361-Y1363 VanDerWaalsContact C-N 3.34Å; S1361-Y1363 PolarHBondContact O-N 3.05Å |
| 1364 | Y | 89.2 | Confident | 84.8 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 9% | 0.09 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.3 | 171.7 | -65.2 | -86.6 | 0 | 0 | 0 | 110.9 | T1325 F1326 P1328 E1333 M1338 Y1356 R1357 E1358 | T1325-Y1364 CarbonylContact C-O 3.52Å; T1325-Y1364 WeakPolarHBondContact CA-O 3.28Å; F1326-Y1364 PolarHBondContact N-O 2.83Å; F1326-Y1364 PolarHBondContact O-N 3.47Å; P1328-Y1364 HydrophobicContact CG-CD2 3.85Å; P1328-Y1364 HydrophobicContact CG-CE2 3.83Å; E1333-Y1364 PolarHBondContact OE1-OH 3.45Å; E1333-Y1364 VanDerWaalsContact OE1-OH 3.04Å; M1338-Y1364 HydrophobicContact CB-CE1 4.45Å; M1338-Y1364 HydrophobicContact CG-CD1 4.18Å; M1338-Y1364 HydrophobicContact CG-CD2 4.08Å; M1338-Y1364 HydrophobicContact CG-CE1 3.79Å; M1338-Y1364 HydrophobicContact CG-CE2 3.68Å; M1338-Y1364 HydrophobicContact CG-CG 4.3Å; M1338-Y1364 HydrophobicContact SD-CD2 4.13Å; M1338-Y1364 HydrophobicContact SD-CE2 4.15Å; Y1356-Y1364 AromaticContact CD2-CD1 3.98Å; Y1356-Y1364 HydrophobicContact CD2-CD1 3.98Å; Y1356-Y1364 HydrophobicContact CD2-CE1 4.34Å; R1357-Y1364 CarbonylContact O-C 3.59Å; R1357-Y1364 WeakPolarHBondContact O-CA 3.48Å; E1358-Y1364 HydrophobicContact CB-CD1 4.35Å; E1358-Y1364 HydrophobicContact CB-CE1 4.14Å; E1358-Y1364 HydrophobicContact CG-CE1 4.23Å |
| 1365 | L | 90.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.8 | 165.8 | -70.3 | 171.6 | 0 | 0 | 0 | 108.2 | I168 P1323 T1325 Y1356 R1357 K1359 | I168-L1365 HydrophobicContact CG2-CD1 4.19Å; P1323-L1365 HydrophobicContact CB-CD2 4.38Å; T1325-L1365 WeakPolarHBondContact OG1-CD2 3.33Å; Y1356-L1365 CarbonylContact C-O 3.48Å; Y1356-L1365 WeakPolarHBondContact CA-O 3.28Å; R1357-L1365 HydrophobicContact CG-CB 4.03Å; R1357-L1365 HydrophobicContact CG-CD1 4.46Å; R1357-L1365 PolarHBondContact N-O 3.31Å; R1357-L1365 PolarHBondContact O-N 2.96Å; K1359-L1365 HydrophobicContact CB-CD1 4.43Å; K1359-L1365 HydrophobicContact CB-CG 4.32Å; K1359-L1365 HydrophobicContact CD-CD1 4Å; K1359-L1365 HydrophobicContact CD-CD2 4.11Å; K1359-L1365 HydrophobicContact CD-CG 4.01Å; K1359-L1365 HydrophobicContact CG-CD1 4.27Å |
| 1366 | I | 92 | Very high | 83.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.8 | 175.3 | -50.6 | -57.7 | 0 | 0 | 0 | 108.4 | P1323 I1324 F1326 L1354 L1382 | P1323-I1366 CarbonylContact C-O 3.47Å; P1323-I1366 VanDerWaalsContact CA-O 3.26Å; P1323-I1366 WeakPolarHBondContact CA-O 3.31Å; I1324-I1366 PolarHBondContact N-O 3.24Å; I1324-I1366 PolarHBondContact O-N 3.12Å; F1326-I1366 HydrophobicContact CB-CD1 4.43Å; F1326-I1366 HydrophobicContact CB-CG1 3.75Å; F1326-I1366 HydrophobicContact CG-CG1 4.5Å; L1354-I1366 HydrophobicContact CD1-CG2 4.25Å; L1354-I1366 HydrophobicContact CD2-CG2 4.07Å; L1354-I1366 HydrophobicContact CG-CG2 4.09Å; I1366-L1382 HydrophobicContact CB-CD1 4.22Å; I1366-L1382 HydrophobicContact CG1-CD1 4.43Å; I1366-L1382 HydrophobicContact CG1-CD2 4.15Å; I1366-L1382 HydrophobicContact CG2-CD1 4.22Å |
| 1367 | S | 91.8 | Very high | 83.3 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.5 | -180 | -57.2 | 0 | 0 | 0 | 0 | 108.2 | F123 D167 L1354 R1355 | F123-S1367 WeakPolarHBondContact CE1-O 3.47Å; D167-S1367 VanDerWaalsContact CB-OG 3.24Å; D167-S1367 WeakPolarHBondContact CB-OG 3.47Å; D167-S1367 PolarHBondContact OD2-OG 3.12Å; L1354-S1367 WeakPolarHBondContact CA-O 3.34Å; R1355-S1367 PolarHBondContact N-O 2.76Å; R1355-S1367 PolarHBondContact O-N 3.15Å; R1355-S1367 VanDerWaalsContact O-O 3.11Å |
| 1368 | A | 92 | Very high | 83.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 156.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | E1320 M1321 V1351 D1353 L1354 L1378 | E1320-A1368 WeakPolarHBondContact CA-O 3.22Å; M1321-A1368 HydrophobicContact CG-CB 4.29Å; M1321-A1368 WeakPolarHBondContact CG-O 3.25Å; M1321-A1368 PolarHBondContact N-O 2.73Å; M1321-A1368 HydrophobicContact SD-CB 3.61Å; V1351-A1368 HydrophobicContact CB-CB 4.19Å; V1351-A1368 HydrophobicContact CG1-CB 4.19Å; V1351-A1368 HydrophobicContact CG2-CB 4.06Å; D1353-A1368 CarbonylContact O-C 3.53Å; D1353-A1368 WeakPolarHBondContact O-CA 3.33Å; D1353-A1368 VanDerWaalsContact O-CB 3.31Å; D1353-A1368 WeakPolarHBondContact O-CB 3.23Å; L1354-A1368 HydrophobicContact CB-CB 4.33Å; L1354-A1368 HydrophobicContact CG-CB 4.34Å; A1368-L1378 HydrophobicContact CB-CD2 3.47Å; A1368-L1378 VanDerWaalsContact CB-CD2 3.47Å |
| 1369 | I | 89.5 | Confident | 83.2 | Confident | 27 Ų | 27 | 37.1 Ų | 37.1 | 14% | 0.138 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.6 | 169.4 | -58.2 | -177.2 | 0 | 0 | 0 | 107.5 | F123 A1318 E1319 E1320 V1351 T1352 D1353 | F123-I1369 HydrophobicContact CB-CD1 3.8Å; F123-I1369 HydrophobicContact CD1-CD1 4.26Å; F123-I1369 HydrophobicContact CD1-CG1 4.16Å; F123-I1369 HydrophobicContact CD2-CD1 3.56Å; F123-I1369 HydrophobicContact CD2-CG1 3.87Å; F123-I1369 HydrophobicContact CE1-CG1 4.27Å; F123-I1369 HydrophobicContact CE2-CD1 4.17Å; F123-I1369 HydrophobicContact CE2-CG1 3.99Å; F123-I1369 HydrophobicContact CG-CD1 3.6Å; F123-I1369 HydrophobicContact CG-CG1 3.95Å; F123-I1369 HydrophobicContact CZ-CG1 4.17Å; A1318-I1369 HydrophobicContact CB-CG2 4.5Å; E1319-I1369 WeakPolarHBondContact O-CA 3.16Å; E1320-I1369 HydrophobicContact CB-CG1 4Å; E1320-I1369 HydrophobicContact CG-CG1 4.35Å; V1351-I1369 CarbonylContact C-O 3.54Å; T1352-I1369 WeakPolarHBondContact CA-O 3.48Å; T1352-I1369 WeakPolarHBondContact CB-O 3.41Å; T1352-I1369 PolarHBondContact N-O 3.37Å; D1353-I1369 HydrophobicContact CB-CB 4.44Å; D1353-I1369 PolarHBondContact N-O 3.49Å; D1353-I1369 VanDerWaalsContact N-O 3.13Å; D1353-I1369 PolarHBondContact O-N 2.81Å |
| 1370 | G | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | 172.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1318 E1319 R1375 | A1318-G1370 WeakPolarHBondContact CA-O 3.33Å; E1319-G1370 PolarHBondContact N-O 3.5Å; E1319-G1370 PolarHBondContact O-N 2.87Å; E1319-G1370 VanDerWaalsContact O-N 3.09Å; G1370-R1375 PolarHBondContact O-NE 3.33Å |
| 1371 | T | 80.3 | Confident | 84.3 | Confident | 55 Ų | 55 | 33.2 Ų | 33.2 | 34% | 0.337 | 18% | 0.175 | S | C | . | . | trans | -55.8 | 156.9 | 169.8 | 64.1 | 0 | 0 | 0 | 0 | 109.5 | D1317 E1373 A1374 R1375 | D1317-T1371 HydrophobicContact CB-CG2 4.46Å; T1371-E1373 PolarHBondContact O-N 3.05Å; T1371-A1374 PolarHBondContact O-N 3.05Å; T1371-A1374 VanDerWaalsContact O-N 3.1Å; T1371-A1374 WeakPolarHBondContact OG1-CB 3.41Å; T1371-A1374 PolarHBondContact OG1-N 3Å; T1371-R1375 WeakPolarHBondContact O-CG 3.49Å; T1371-R1375 PolarHBondContact O-N 2.97Å | ||
| 1372 | L | 71.8 | Confident | 85 | Confident | 23 Ų | 23 | 28.5 Ų | 28.5 | 12% | 0.12 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.9 | -41.3 | 178.6 | -172.6 | 54.2 | 0 | 0 | 0 | 112.4 | D982 L986 R1375 F1376 | D982-L1372 HydrophobicContact CB-CD2 3.52Å; D982-L1372 HydrophobicContact CB-CG 4.35Å; L986-L1372 HydrophobicContact CD1-CB 3.97Å; L986-L1372 HydrophobicContact CD1-CD2 3.25Å; L986-L1372 HydrophobicContact CD1-CG 4.22Å; L986-L1372 HydrophobicContact CD2-CB 4.28Å; L986-L1372 HydrophobicContact CD2-CD2 4.02Å; L986-L1372 HydrophobicContact CG-CB 4.43Å; L986-L1372 HydrophobicContact CG-CD2 3.42Å; L986-L1372 VanDerWaalsContact CG-CD2 3.42Å; L1372-R1375 PolarHBondContact O-N 3.22Å; L1372-F1376 HydrophobicContact CD1-CD2 4.03Å; L1372-F1376 HydrophobicContact CD1-CE2 3.37Å; L1372-F1376 HydrophobicContact CD1-CZ 4.11Å; L1372-F1376 HydrophobicContact CD2-CE2 4.28Å; L1372-F1376 HydrophobicContact CG-CD2 3.96Å; L1372-F1376 HydrophobicContact CG-CE2 3.54Å; L1372-F1376 WeakPolarHBondContact O-CD2 3.48Å; L1372-F1376 PolarHBondContact O-N 3.09Å |
| 1373 | E | 72.6 | Confident | 85.2 | Confident | 112 Ų | 112 | 28.3 Ų | 28.3 | 52% | 0.523 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 175.9 | -167 | -174.9 | 152.2 | 0 | 0 | 113.2 | T1371 R1375 F1376 R1377 | T1371-E1373 PolarHBondContact O-N 3.05Å; E1373-R1375 PolarHBondContact O-N 2.98Å; E1373-F1376 WeakPolarHBondContact O-CB 3.44Å; E1373-F1376 PolarHBondContact O-N 3.49Å; E1373-R1377 PolarHBondContact O-N 3.37Å; E1373-R1377 IonicContact OE1-CZ 3.44Å; E1373-R1377 IonicContact OE1-NH1 2.96Å; E1373-R1377 PolarHBondContact OE1-NH1 3.49Å |
| 1374 | A | 84.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1349 V1351 T1371 F1376 R1377 L1378 | S1349-A1374 WeakPolarHBondContact O-CA 3.29Å; S1349-A1374 WeakPolarHBondContact O-CB 3.34Å; V1351-A1374 HydrophobicContact CB-CB 4.49Å; V1351-A1374 HydrophobicContact CG1-CB 3.79Å; T1371-A1374 PolarHBondContact O-N 3.05Å; T1371-A1374 VanDerWaalsContact O-N 3.1Å; T1371-A1374 WeakPolarHBondContact OG1-CB 3.41Å; T1371-A1374 PolarHBondContact OG1-N 3Å; A1374-F1376 VanDerWaalsContact C-N 3.28Å; A1374-F1376 PolarHBondContact O-N 3.17Å; A1374-R1377 PolarHBondContact O-N 2.94Å; A1374-L1378 PolarHBondContact O-N 3.1Å |
| 1375 | R | 85.1 | Confident | 84.6 | Confident | 26 Ų | 26 | 31.1 Ų | 31.1 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -38 | 174.3 | -68.2 | -175.4 | -74.3 | 176.4 | 0.4 | 111.6 | E1319 M1321 G1370 T1371 L1372 E1373 L1378 C1379 | E1319-R1375 VanDerWaalsContact CB-NH1 3.35Å; E1319-R1375 WeakPolarHBondContact O-CD 3.31Å; E1319-R1375 IonicContact OE2-CZ 3.61Å; E1319-R1375 IonicContact OE2-NH1 3.14Å; E1319-R1375 PolarHBondContact OE2-NH1 2.88Å; E1319-R1375 IonicContact OE2-NH2 3.4Å; E1319-R1375 PolarHBondContact OE2-NH2 2.67Å; M1321-R1375 HydrophobicContact CB-CG 4.12Å; G1370-R1375 PolarHBondContact O-NE 3.33Å; T1371-R1375 WeakPolarHBondContact O-CG 3.49Å; T1371-R1375 PolarHBondContact O-N 2.97Å; L1372-R1375 PolarHBondContact O-N 3.22Å; E1373-R1375 PolarHBondContact O-N 2.98Å; R1375-L1378 WeakPolarHBondContact O-CB 3.45Å; R1375-L1378 PolarHBondContact O-N 3.05Å; R1375-C1379 PolarHBondContact O-N 2.89Å; R1375-C1379 PolarHBondContact O-SG 3.34Å |
| 1376 | F | 77.8 | Confident | 84.2 | Confident | 55 Ų | 55 | 36 Ų | 36 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -48.6 | 175.1 | -84 | -61.5 | 0 | 0 | 0 | 113.4 | D982 L1372 E1373 A1374 L1378 C1379 D1380 | D982-F1376 HydrophobicContact CB-CE2 4.06Å; D982-F1376 HydrophobicContact CB-CZ 4.38Å; D982-F1376 WeakPolarHBondContact OD1-CZ 3.48Å; D982-F1376 WeakPolarHBondContact OD2-CE2 3.49Å; D982-F1376 WeakPolarHBondContact OD2-CZ 3.24Å; L1372-F1376 HydrophobicContact CD1-CD2 4.03Å; L1372-F1376 HydrophobicContact CD1-CE2 3.37Å; L1372-F1376 HydrophobicContact CD1-CZ 4.11Å; L1372-F1376 HydrophobicContact CD2-CE2 4.28Å; L1372-F1376 HydrophobicContact CG-CD2 3.96Å; L1372-F1376 HydrophobicContact CG-CE2 3.54Å; L1372-F1376 WeakPolarHBondContact O-CD2 3.48Å; L1372-F1376 PolarHBondContact O-N 3.09Å; E1373-F1376 WeakPolarHBondContact O-CB 3.44Å; E1373-F1376 PolarHBondContact O-N 3.49Å; A1374-F1376 VanDerWaalsContact C-N 3.28Å; A1374-F1376 PolarHBondContact O-N 3.17Å; F1376-L1378 PolarHBondContact O-N 3.01Å; F1376-C1379 WeakPolarHBondContact O-CA 3.24Å; F1376-C1379 WeakPolarHBondContact O-CB 3.42Å; F1376-C1379 PolarHBondContact O-N 3.41Å; F1376-D1380 PolarHBondContact O-N 3.31Å |
| 1377 | R | 84.1 | Confident | 84 | Confident | 87 Ų | 87 | 36.2 Ų | 36.2 | 33% | 0.328 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.9 | -40.3 | 174.4 | -74.6 | -168.5 | -72.9 | -104.5 | -3.9 | 111.2 | S1349 E1373 A1374 D1380 L1381 | S1349-R1377 PolarHBondContact O-NE 3.5Å; S1349-R1377 PolarHBondContact O-NH2 3.35Å; E1373-R1377 PolarHBondContact O-N 3.37Å; E1373-R1377 IonicContact OE1-CZ 3.44Å; E1373-R1377 IonicContact OE1-NH1 2.96Å; E1373-R1377 PolarHBondContact OE1-NH1 3.49Å; A1374-R1377 PolarHBondContact O-N 2.94Å; R1377-D1380 PolarHBondContact O-N 3.18Å; R1377-L1381 WeakPolarHBondContact O-CB 3.49Å; R1377-L1381 WeakPolarHBondContact O-CG 3.3Å; R1377-L1381 PolarHBondContact O-N 3.11Å |
| 1378 | L | 90.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 174.8 | -177.3 | 58.8 | 0 | 0 | 0 | 112.6 | M1321 L1345 V1351 L1354 A1368 A1374 R1375 F1376 D1380 L1381 L1382 | M1321-L1378 HydrophobicContact CE-CD2 4.4Å; M1321-L1378 HydrophobicContact SD-CD2 3.67Å; L1345-L1378 HydrophobicContact CB-CD1 3.93Å; L1345-L1378 HydrophobicContact CD2-CD1 4.43Å; V1351-L1378 HydrophobicContact CG1-CB 4.28Å; V1351-L1378 HydrophobicContact CG1-CD2 4.16Å; L1354-L1378 HydrophobicContact CD1-CD1 3.78Å; L1354-L1378 HydrophobicContact CD1-CD2 3.88Å; A1368-L1378 HydrophobicContact CB-CD2 3.47Å; A1368-L1378 VanDerWaalsContact CB-CD2 3.47Å; A1374-L1378 PolarHBondContact O-N 3.1Å; R1375-L1378 WeakPolarHBondContact O-CB 3.45Å; R1375-L1378 PolarHBondContact O-N 3.05Å; F1376-L1378 PolarHBondContact O-N 3.01Å; L1378-D1380 VanDerWaalsContact C-N 3.33Å; L1378-D1380 PolarHBondContact O-N 3.04Å; L1378-L1381 PolarHBondContact O-N 2.8Å; L1378-L1382 HydrophobicContact CD1-CD1 4.05Å; L1378-L1382 HydrophobicContact CD1-CG 4.15Å; L1378-L1382 HydrophobicContact CG-CD1 3.96Å; L1378-L1382 HydrophobicContact CG-CG 4.49Å; L1378-L1382 WeakPolarHBondContact O-CB 3.38Å; L1378-L1382 VanDerWaalsContact O-CG 3.26Å; L1378-L1382 WeakPolarHBondContact O-CG 3.39Å; L1378-L1382 PolarHBondContact O-N 2.82Å |
| 1379 | C | 84.6 | Confident | 83.5 | Confident | 37 Ų | 37 | 42.3 Ų | 42.3 | 25% | 0.25 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -44.6 | 174.1 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | I1324 R1375 F1376 L1382 T1383 | I1324-C1379 HydrophobicContact CD1-CB 4.17Å; I1324-C1379 WeakPolarHBondContact CD1-SG 3.41Å; R1375-C1379 PolarHBondContact O-N 2.89Å; R1375-C1379 PolarHBondContact O-SG 3.34Å; F1376-C1379 WeakPolarHBondContact O-CA 3.24Å; F1376-C1379 WeakPolarHBondContact O-CB 3.42Å; F1376-C1379 PolarHBondContact O-N 3.41Å; C1379-L1382 PolarHBondContact O-N 2.76Å; C1379-T1383 PolarHBondContact O-N 2.79Å; C1379-T1383 PolarHBondContact O-OG1 2.75Å |
| 1380 | D | 83 | Confident | 83.4 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.2 | -39.7 | -179.4 | -72.6 | -30.7 | 0 | 0 | 0 | 111.3 | F1376 R1377 L1378 T1383 C1384 F1398 | F1376-D1380 PolarHBondContact O-N 3.31Å; R1377-D1380 PolarHBondContact O-N 3.18Å; L1378-D1380 VanDerWaalsContact C-N 3.33Å; L1378-D1380 PolarHBondContact O-N 3.04Å; D1380-T1383 CarbonylContact O-C 3.59Å; D1380-T1383 PolarHBondContact O-N 2.84Å; D1380-T1383 PolarHBondContact O-OG1 3.24Å; D1380-C1384 WeakPolarHBondContact O-CB 3.47Å; D1380-C1384 PolarHBondContact O-N 3.21Å; D1380-F1398 HydrophobicContact CB-CE1 4.48Å; D1380-F1398 HydrophobicContact CB-CE2 3.77Å; D1380-F1398 HydrophobicContact CB-CZ 3.63Å |
| 1381 | L | 88.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 174.5 | -73.2 | 166.7 | 0 | 0 | 0 | 111.9 | L1345 W1348 R1377 L1378 T1383 C1384 P1397 F1398 | L1345-L1381 HydrophobicContact CD2-CB 3.66Å; L1345-L1381 HydrophobicContact CD2-CD1 4.24Å; L1345-L1381 HydrophobicContact CD2-CG 4.45Å; W1348-L1381 HydrophobicContact CB-CD1 3.74Å; W1348-L1381 HydrophobicContact CB-CD2 4.48Å; W1348-L1381 HydrophobicContact CE3-CD2 4.2Å; R1377-L1381 WeakPolarHBondContact O-CB 3.49Å; R1377-L1381 WeakPolarHBondContact O-CG 3.3Å; R1377-L1381 PolarHBondContact O-N 3.11Å; L1378-L1381 PolarHBondContact O-N 2.8Å; L1381-T1383 PolarHBondContact O-N 2.89Å; L1381-C1384 VanDerWaalsContact O-CB 3.31Å; L1381-C1384 WeakPolarHBondContact O-CB 3.28Å; L1381-C1384 PolarHBondContact O-N 3.21Å; L1381-P1397 HydrophobicContact CD2-CG 3.44Å; L1381-P1397 VanDerWaalsContact CD2-CG 3.44Å; L1381-F1398 HydrophobicContact CB-CE2 4.47Å; L1381-F1398 HydrophobicContact CD2-CD2 3.69Å; L1381-F1398 HydrophobicContact CD2-CE2 3.66Å; L1381-F1398 HydrophobicContact CG-CD2 4.03Å; L1381-F1398 HydrophobicContact CG-CE2 3.82Å |
| 1382 | L | 87.4 | Confident | 83.9 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.3 | -18.8 | -180 | -73.9 | 170.5 | 0 | 0 | 0 | 113.7 | I1324 F1326 L1345 I1366 L1378 C1379 | I1324-L1382 HydrophobicContact CB-CD1 3.9Å; I1324-L1382 HydrophobicContact CD1-CD1 3.75Å; I1324-L1382 HydrophobicContact CG1-CD1 4.42Å; I1324-L1382 HydrophobicContact CG2-CB 4.48Å; I1324-L1382 HydrophobicContact CG2-CD1 3.85Å; F1326-L1382 HydrophobicContact CB-CD2 4.17Å; F1326-L1382 HydrophobicContact CD1-CD2 4.47Å; F1326-L1382 HydrophobicContact CD2-CD2 3.69Å; F1326-L1382 HydrophobicContact CE2-CD2 4.17Å; F1326-L1382 HydrophobicContact CG-CD2 3.87Å; L1345-L1382 HydrophobicContact CD1-CD2 3.66Å; L1345-L1382 HydrophobicContact CD1-CG 4.5Å; I1366-L1382 HydrophobicContact CB-CD1 4.22Å; I1366-L1382 HydrophobicContact CG1-CD1 4.43Å; I1366-L1382 HydrophobicContact CG1-CD2 4.15Å; I1366-L1382 HydrophobicContact CG2-CD1 4.22Å; L1378-L1382 HydrophobicContact CD1-CD1 4.05Å; L1378-L1382 HydrophobicContact CD1-CG 4.15Å; L1378-L1382 HydrophobicContact CG-CD1 3.96Å; L1378-L1382 HydrophobicContact CG-CG 4.49Å; L1378-L1382 WeakPolarHBondContact O-CB 3.38Å; L1378-L1382 VanDerWaalsContact O-CG 3.26Å; L1378-L1382 WeakPolarHBondContact O-CG 3.39Å; L1378-L1382 PolarHBondContact O-N 2.82Å; C1379-L1382 PolarHBondContact O-N 2.76Å |
| 1383 | T | 82.1 | Confident | 84.7 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 8.9 | 177.4 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | C1379 D1380 L1381 | C1379-T1383 PolarHBondContact O-N 2.79Å; C1379-T1383 PolarHBondContact O-OG1 2.75Å; D1380-T1383 CarbonylContact O-C 3.59Å; D1380-T1383 PolarHBondContact O-N 2.84Å; D1380-T1383 PolarHBondContact O-OG1 3.24Å; L1381-T1383 PolarHBondContact O-N 2.89Å |
| 1384 | C | 83.4 | Confident | 85.3 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | trans | -77.5 | 124.8 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | D1380 L1381 D1386 L1387 | D1380-C1384 WeakPolarHBondContact O-CB 3.47Å; D1380-C1384 PolarHBondContact O-N 3.21Å; L1381-C1384 VanDerWaalsContact O-CB 3.31Å; L1381-C1384 WeakPolarHBondContact O-CB 3.28Å; L1381-C1384 PolarHBondContact O-N 3.21Å; C1384-D1386 PolarHBondContact O-N 3.12Å; C1384-L1387 PolarHBondContact O-N 2.86Å | ||
| 1385 | D | 78.1 | Confident | 85.3 | Confident | 124 Ų | 124 | 54.3 Ų | 54.3 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -28.3 | 176.7 | -69.1 | -25 | 0 | 0 | 0 | 111.8 | ||
| 1386 | D | 83.7 | Confident | 85.2 | Confident | 104 Ų | 104 | 55.4 Ų | 55.4 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 10.4 | -177.3 | -66.3 | -46.7 | 0 | 0 | 0 | 114.2 | C1384 E1388 S1389 A1390 | C1384-D1386 PolarHBondContact O-N 3.12Å; D1386-E1388 PolarHBondContact O-N 2.78Å; D1386-S1389 WeakPolarHBondContact O-CB 3.48Å; D1386-S1389 PolarHBondContact O-N 3.32Å; D1386-A1390 PolarHBondContact O-N 3.37Å |
| 1387 | L | 87.2 | Confident | 84.9 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -36.3 | -177.1 | -177.9 | 62.3 | 0 | 0 | 0 | 112.5 | F1326 L1345 W1348 C1384 A1390 L1391 | F1326-L1387 HydrophobicContact CE2-CD2 3.99Å; F1326-L1387 HydrophobicContact CZ-CD2 3.83Å; L1345-L1387 HydrophobicContact CD2-CD1 4.08Å; W1348-L1387 HydrophobicContact CZ3-CD1 4.02Å; C1384-L1387 PolarHBondContact O-N 2.86Å; L1387-A1390 PolarHBondContact O-N 3.13Å; L1387-L1391 HydrophobicContact CD1-CD1 4.49Å; L1387-L1391 HydrophobicContact CD1-CG 4.41Å; L1387-L1391 HydrophobicContact CG-CD1 4.14Å; L1387-L1391 WeakPolarHBondContact O-CB 3.37Å; L1387-L1391 VanDerWaalsContact O-CG 3.24Å; L1387-L1391 WeakPolarHBondContact O-CG 3.47Å; L1387-L1391 PolarHBondContact O-N 3.13Å |
| 1388 | E | 86.8 | Confident | 84.1 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.3 | -170.4 | 174.1 | 146.4 | 0 | 0 | 112.2 | T1329 T1331 I1332 D1386 L1391 K1392 | T1329-E1388 PolarHBondContact OG1-OE2 3.49Å; T1331-E1388 WeakPolarHBondContact CB-OE1 3.37Å; T1331-E1388 WeakPolarHBondContact CG2-OE1 3.5Å; I1332-E1388 HydrophobicContact CD1-CB 4.15Å; I1332-E1388 HydrophobicContact CG1-CB 4.08Å; I1332-E1388 HydrophobicContact CG1-CG 4.07Å; D1386-E1388 PolarHBondContact O-N 2.78Å; E1388-L1391 PolarHBondContact O-N 3.5Å; E1388-K1392 WeakPolarHBondContact O-CB 3.44Å; E1388-K1392 PolarHBondContact O-N 3.06Å |
| 1389 | S | 86.4 | Confident | 83.8 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 174.7 | -64 | 0 | 0 | 0 | 0 | 111.3 | D1386 L1391 K1392 Y1393 | D1386-S1389 WeakPolarHBondContact O-CB 3.48Å; D1386-S1389 PolarHBondContact O-N 3.32Å; S1389-L1391 PolarHBondContact O-N 3.06Å; S1389-K1392 WeakPolarHBondContact O-CB 3.49Å; S1389-K1392 PolarHBondContact O-N 2.92Å; S1389-Y1393 WeakPolarHBondContact O-CD2 3.38Å; S1389-Y1393 PolarHBondContact O-N 3.06Å; S1389-Y1393 VanDerWaalsContact O-N 3.08Å |
| 1390 | A | 87.3 | Confident | 83.7 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1348 D1386 L1387 K1392 D1394 T1395 P1397 | W1348-A1390 HydrophobicContact CH2-CB 4.03Å; W1348-A1390 HydrophobicContact CZ3-CB 4.17Å; D1386-A1390 PolarHBondContact O-N 3.37Å; L1387-A1390 PolarHBondContact O-N 3.13Å; A1390-K1392 VanDerWaalsContact C-N 3.35Å; A1390-D1394 WeakPolarHBondContact O-CA 3.19Å; A1390-D1394 PolarHBondContact O-N 3.18Å; A1390-T1395 WeakPolarHBondContact CA-O 3.25Å; A1390-T1395 VanDerWaalsContact CB-O 3.23Å; A1390-T1395 WeakPolarHBondContact CB-O 3.32Å; A1390-T1395 PolarHBondContact O-N 3.16Å; A1390-T1395 VanDerWaalsContact O-N 3.1Å; A1390-P1397 HydrophobicContact CB-CB 4.19Å; A1390-P1397 HydrophobicContact CB-CG 4.12Å |
| 1391 | L | 90 | Very high | 83.8 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 175.2 | -72.1 | 166.6 | 0 | 0 | 0 | 112 | I1332 Y1336 V1341 K1344 W1348 L1387 E1388 S1389 D1394 | I1332-L1391 HydrophobicContact CD1-CD1 4.4Å; I1332-L1391 HydrophobicContact CG1-CD1 4.18Å; I1332-L1391 HydrophobicContact CG2-CD1 4.11Å; Y1336-L1391 HydrophobicContact CD1-CB 4.48Å; Y1336-L1391 HydrophobicContact CD2-CB 4.32Å; Y1336-L1391 HydrophobicContact CD2-CD1 4.33Å; Y1336-L1391 HydrophobicContact CE1-CB 4.24Å; Y1336-L1391 HydrophobicContact CE2-CB 4.06Å; V1341-L1391 HydrophobicContact CG1-CD1 4.34Å; V1341-L1391 HydrophobicContact CG2-CD1 3.96Å; V1341-L1391 HydrophobicContact CG2-CD2 4.38Å; K1344-L1391 HydrophobicContact CB-CD2 4.06Å; K1344-L1391 HydrophobicContact CG-CD2 4.17Å; W1348-L1391 HydrophobicContact CH2-CD2 3.94Å; W1348-L1391 HydrophobicContact CH2-CG 4.3Å; W1348-L1391 HydrophobicContact CZ3-CD2 4.14Å; W1348-L1391 HydrophobicContact CZ3-CG 4.46Å; L1387-L1391 HydrophobicContact CD1-CD1 4.49Å; L1387-L1391 HydrophobicContact CD1-CG 4.41Å; L1387-L1391 HydrophobicContact CG-CD1 4.14Å; L1387-L1391 WeakPolarHBondContact O-CB 3.37Å; L1387-L1391 VanDerWaalsContact O-CG 3.24Å; L1387-L1391 WeakPolarHBondContact O-CG 3.47Å; L1387-L1391 PolarHBondContact O-N 3.13Å; E1388-L1391 PolarHBondContact O-N 3.5Å; S1389-L1391 PolarHBondContact O-N 3.06Å; L1391-D1394 PolarHBondContact O-N 2.66Å |
| 1392 | K | 88.1 | Confident | 83.5 | Confident | 137 Ų | 137 | 66.3 Ų | 66.3 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 178.8 | -172.6 | -177.8 | 176.6 | -174.6 | 0 | 113.1 | Y1336 E1388 S1389 A1390 | Y1336-K1392 WeakPolarHBondContact OH-CA 3.42Å; Y1336-K1392 VanDerWaalsContact OH-CB 3.28Å; Y1336-K1392 WeakPolarHBondContact OH-CB 3.08Å; Y1336-K1392 PolarHBondContact OH-N 2.89Å; E1388-K1392 WeakPolarHBondContact O-CB 3.44Å; E1388-K1392 PolarHBondContact O-N 3.06Å; S1389-K1392 WeakPolarHBondContact O-CB 3.49Å; S1389-K1392 PolarHBondContact O-N 2.92Å; A1390-K1392 VanDerWaalsContact C-N 3.35Å |
| 1393 | Y | 88.1 | Confident | 83.2 | Confident | 155 Ų | 155 | 69.6 Ų | 69.6 | 61% | 0.608 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -96.6 | -1.3 | -177.7 | -61.3 | -64.8 | 0 | 0 | 0 | 113.7 | S1389 T1395 | S1389-Y1393 WeakPolarHBondContact O-CD2 3.38Å; S1389-Y1393 PolarHBondContact O-N 3.06Å; S1389-Y1393 VanDerWaalsContact O-N 3.08Å; Y1393-T1395 PolarHBondContact O-N 3.29Å |
| 1394 | D | 85.7 | Confident | 83.3 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 39.5 | -173.9 | -162.1 | 17.2 | 0 | 0 | 0 | 113.9 | K1344 A1390 L1391 | K1344-D1394 WeakPolarHBondContact CD-OD1 3.37Å; K1344-D1394 WeakPolarHBondContact CE-OD1 3.31Å; K1344-D1394 IonicContact NZ-OD1 2.97Å; K1344-D1394 PolarHBondContact NZ-OD1 3.3Å; K1344-D1394 IonicContact NZ-OD2 3.88Å; K1344-D1394 PolarHBondContact NZ-OD2 3.19Å; A1390-D1394 WeakPolarHBondContact O-CA 3.19Å; A1390-D1394 PolarHBondContact O-N 3.18Å; L1391-D1394 PolarHBondContact O-N 2.66Å |
| 1395 | T | 83.9 | Confident | 83.3 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | trans | -117.2 | 127.9 | -179.8 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | A1390 Y1393 | A1390-T1395 WeakPolarHBondContact CA-O 3.25Å; A1390-T1395 VanDerWaalsContact CB-O 3.23Å; A1390-T1395 WeakPolarHBondContact CB-O 3.32Å; A1390-T1395 PolarHBondContact O-N 3.16Å; A1390-T1395 VanDerWaalsContact O-N 3.1Å; Y1393-T1395 PolarHBondContact O-N 3.29Å | ||
| 1396 | C | 81.5 | Confident | 83.7 | Confident | 50 Ų | 50 | 72.8 Ų | 72.8 | 34% | 0.338 | 37% | 0.37 | S | S | . | . | trans | -57.3 | 129.7 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | W1348 F1398 | W1348-C1396 HydrophobicContact CB-CB 4.36Å; W1348-C1396 HydrophobicContact CD2-CB 4.33Å; W1348-C1396 HydrophobicContact CG-CB 3.93Å; C1396-F1398 PolarHBondContact O-N 3.46Å; C1396-F1398 PolarHBondContact SG-O 2.9Å | ||
| 1397 | P | 73 | Confident | 83.7 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | trans | -72.9 | -4.5 | -179.7 | 28.4 | -33.5 | 0 | 0 | 0 | 113.8 | L1381 A1390 | L1381-P1397 HydrophobicContact CD2-CG 3.44Å; L1381-P1397 VanDerWaalsContact CD2-CG 3.44Å; A1390-P1397 HydrophobicContact CB-CB 4.19Å; A1390-P1397 HydrophobicContact CB-CG 4.12Å | ||
| 1398 | F | 66.4 | Low | 83.4 | Confident | 145 Ų | 145 | 76.2 Ų | 76.2 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | trans | -119.5 | 0 | 179.3 | -59.1 | -66.3 | 0 | 0 | 0 | 112.1 | D1380 L1381 C1396 | D1380-F1398 HydrophobicContact CB-CE1 4.48Å; D1380-F1398 HydrophobicContact CB-CE2 3.77Å; D1380-F1398 HydrophobicContact CB-CZ 3.63Å; L1381-F1398 HydrophobicContact CB-CE2 4.47Å; L1381-F1398 HydrophobicContact CD2-CD2 3.69Å; L1381-F1398 HydrophobicContact CD2-CE2 3.66Å; L1381-F1398 HydrophobicContact CG-CD2 4.03Å; L1381-F1398 HydrophobicContact CG-CE2 3.82Å; C1396-F1398 PolarHBondContact O-N 3.46Å; C1396-F1398 PolarHBondContact SG-O 2.9Å |
Retrieved 1,398 of 1,398 residues in 9829.1 ms
(Link to these results)