| 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 | 34.5 | Very low | 61.3 | Low | 244 Ų | 244 | 93.5 Ų | 93.5 | 100% | 1.202 | 53% | 0.525 | S | S | * | . | 0 | 109.5 | 0 | -68.8 | 166.9 | 172.2 | 0 | 0 | 107.3 | S3 | M1-S3 PolarHBondContact O-N 3.26Š| |||
| 2 | S | 31.2 | Very low | 63.8 | Low | 118 Ų | 118 | 92.4 Ų | 92.4 | 83% | 0.825 | 52% | 0.521 | S | S | * | . | trans | -72.7 | 110.7 | 167.9 | -55.6 | 0 | 0 | 0 | 0 | 106.9 | N4 | S2-N4 PolarHBondContact O-N 3.16Å; S2-N4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | S | 42.2 | Very low | 65.7 | Low | 89 Ų | 89 | 86.5 Ų | 86.5 | 62% | 0.622 | 49% | 0.487 | S | S | * | . | trans | -67.1 | 113.1 | 178.3 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | M1 M5 | M1-S3 PolarHBondContact O-N 3.26Å; S3-M5 VanDerWaalsContact C-N 3.31Å; S3-M5 PolarHBondContact O-N 3.36Å | ||
| 4 | N | 55.6 | Low | 67.4 | Low | 83 Ų | 83 | 89 Ų | 89 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | trans | -60.2 | 97.2 | 167.6 | -73.8 | -2.4 | 0 | 0 | 0 | 107.8 | S2 Y59 A62 | S2-N4 PolarHBondContact O-N 3.16Å; S2-N4 VanDerWaalsContact O-N 3.16Å; N4-Y59 HydrophobicContact CB-CD2 4.14Å; N4-Y59 HydrophobicContact CB-CE2 4.09Å; N4-Y59 VanDerWaalsContact O-CE2 3.25Å; N4-Y59 WeakPolarHBondContact O-CE2 3.18Å; N4-A62 PolarHBondContact ND2-O 3.14Å; N4-A62 VanDerWaalsContact ND2-O 3.14Å | ||
| 5 | M | 61.8 | Low | 68.6 | Low | 133 Ų | 133 | 89.1 Ų | 89.1 | 66% | 0.655 | 49% | 0.493 | S | S | * | . | trans | -108.7 | 138.9 | 172.7 | -67.7 | -179.2 | 68.1 | 0 | 0 | 107.8 | S3 | S3-M5 VanDerWaalsContact C-N 3.31Å; S3-M5 PolarHBondContact O-N 3.36Å | ||
| 6 | I | 65.7 | Low | 69.9 | Low | 6 Ų | 6 | 88.9 Ų | 88.9 | 3% | 0.031 | 50% | 0.5 | C | S | . | . | trans | -61.1 | 139.3 | 166.8 | -53.3 | 177.7 | 0 | 0 | 0 | 107 | A8 D55 Y59 K165 D183 C184 | I6-A8 PolarHBondContact O-N 3.11Å; I6-D55 HydrophobicContact CG2-CB 3.92Å; I6-Y59 HydrophobicContact CD1-CD1 3.74Å; I6-Y59 HydrophobicContact CD1-CE1 4.25Å; I6-Y59 HydrophobicContact CD1-CG 4.05Å; I6-Y59 HydrophobicContact CG1-CD1 3.68Å; I6-Y59 HydrophobicContact CG1-CD2 3.93Å; I6-Y59 HydrophobicContact CG1-CE1 4.35Å; I6-Y59 HydrophobicContact CG1-CG 3.44Å; I6-Y59 VanDerWaalsContact CG1-CG 3.44Å; I6-K165 HydrophobicContact CD1-CB 4.46Å; I6-K165 HydrophobicContact CD1-CD 4.12Å; I6-K165 HydrophobicContact CD1-CG 4.28Å; I6-D183 HydrophobicContact CB-CB 4.25Å; I6-D183 HydrophobicContact CD1-CB 3.97Å; I6-D183 HydrophobicContact CG1-CB 4.36Å; I6-C184 WeakPolarHBondContact CD1-SG 3.49Å; I6-C184 HydrophobicContact CG2-CB 4.3Å | ||
| 7 | K | 64 | Low | 71.1 | Confident | 117 Ų | 117 | 87.9 Ų | 87.9 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | trans | -64.5 | 103.6 | -177.9 | -70.5 | 172.7 | -175.5 | 155 | 0 | 109.5 | D9 | K7-D9 PolarHBondContact O-N 3.05Š| ||
| 8 | A | 65.7 | Low | 71.9 | Confident | 47 Ų | 47 | 91.9 Ų | 91.9 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | trans | -76 | 13.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I6 K185 | I6-A8 PolarHBondContact O-N 3.11Å; A8-K185 WeakPolarHBondContact O-CE 3.32Å; A8-K185 PolarHBondContact O-NZ 3.02Å | ||
| 9 | D | 78.8 | Confident | 72.8 | Confident | 119 Ų | 119 | 87.7 Ų | 87.7 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | trans | -66.5 | 141.3 | 174.9 | -61 | -46 | 0 | 0 | 0 | 110.5 | K7 R48 | K7-D9 PolarHBondContact O-N 3.05Å; D9-R48 PolarHBondContact O-NH2 3.22Å | ||
| 10 | C | 85.7 | Confident | 73.7 | Confident | 25 Ų | 25 | 87.5 Ų | 87.5 | 17% | 0.169 | 47% | 0.47 | C | S | . | . | trans | -146.8 | 160.8 | 179.7 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | V12 K185 I186 | C10-V12 PolarHBondContact O-N 3.33Å; C10-V12 VanDerWaalsContact O-N 3.13Å; C10-K185 HydrophobicContact CB-CB 4.29Å; C10-K185 HydrophobicContact CB-CD 3.97Å; C10-K185 HydrophobicContact CB-CG 3.91Å; C10-K185 VanDerWaalsContact CB-O 3.28Å; C10-K185 WeakPolarHBondContact CB-O 3.37Å; C10-K185 PolarHBondContact SG-NZ 2.86Å; C10-I186 WeakPolarHBondContact CB-O 3.47Å | ||
| 11 | V | 89.7 | Confident | 74.5 | Confident | 48 Ų | 48 | 86 Ų | 86 | 29% | 0.291 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 111.5 | 167 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | I13 M44 R48 I186 I187 Q188 | V11-I13 HydrophobicContact CG1-CG1 4.42Å; V11-M44 HydrophobicContact CG1-SD 4.14Å; V11-R48 HydrophobicContact CG2-CG 4.41Å; V11-I186 PolarHBondContact N-O 3.34Å; V11-I187 HydrophobicContact CB-CG1 3.7Å; V11-I187 HydrophobicContact CG1-CG1 4.02Å; V11-I187 CarbonylContact O-C 3.59Å; V11-I187 VanDerWaalsContact O-CA 3.3Å; V11-I187 WeakPolarHBondContact O-CA 3.38Å; V11-Q188 PolarHBondContact O-N 3.29Å |
| 12 | V | 90.4 | Very high | 77 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 49% | 0.485 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 114.2 | 172.9 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | C10 | C10-V12 PolarHBondContact O-N 3.33Å; C10-V12 VanDerWaalsContact O-N 3.13Å |
| 13 | I | 88.9 | Confident | 79.8 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 8% | 0.077 | 41% | 0.413 | C | S | . | . | trans | -84.7 | 136 | 169.7 | -64 | 178 | 0 | 0 | 0 | 107.1 | V11 F17 L39 I40 R173 I187 Q188 | V11-I13 HydrophobicContact CG1-CG1 4.42Å; I13-F17 HydrophobicContact CG2-CB 3.78Å; I13-F17 HydrophobicContact CG2-CD1 3.51Å; I13-F17 HydrophobicContact CG2-CE1 4.44Å; I13-F17 HydrophobicContact CG2-CG 3.96Å; I13-L39 HydrophobicContact CD1-CG 4.36Å; I13-L39 HydrophobicContact CG2-CD1 4.49Å; I13-I40 HydrophobicContact CD1-CD1 4.06Å; I13-I40 HydrophobicContact CD1-CG1 3.71Å; I13-R173 PolarHBondContact O-NH1 3.2Å; I13-R173 PolarHBondContact O-NH2 2.65Å; I13-I187 HydrophobicContact CD1-CG2 3.64Å; I13-I187 HydrophobicContact CG1-CG2 4.04Å; I13-Q188 PolarHBondContact N-O 2.86Å | ||
| 14 | E | 89.5 | Confident | 82.2 | Confident | 122 Ų | 122 | 80.8 Ų | 80.8 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | trans | -75.4 | 151.2 | -179.5 | -73.5 | -56.9 | 148.2 | 0 | 0 | 113.8 | S16 F17 | E14-S16 PolarHBondContact O-N 2.77Å; E14-F17 WeakPolarHBondContact O-CB 3.2Å; E14-F17 PolarHBondContact O-N 2.73Å; E14-F17 VanDerWaalsContact O-N 3.08Å | ||
| 15 | D | 85.4 | Confident | 83.9 | Confident | 91 Ų | 91 | 80.3 Ų | 80.3 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.8 | 177.9 | -68.1 | -9.2 | 0 | 0 | 0 | 112.8 | R173 M190 | D15-R173 IonicContact OD1-CZ 2.63Å; D15-R173 IonicContact OD1-NE 2.65Å; D15-R173 PolarHBondContact OD1-NE 2.63Å; D15-R173 IonicContact OD1-NH2 2.65Å; D15-R173 PolarHBondContact OD1-NH2 2.78Å; D15-M190 WeakPolarHBondContact OD1-CB 3.25Å |
| 16 | S | 89.3 | Confident | 85.2 | Confident | 86 Ų | 86 | 80.3 Ų | 80.3 | 60% | 0.601 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.6 | 177.6 | 58 | 0 | 0 | 0 | 0 | 113.9 | E14 | E14-S16 PolarHBondContact O-N 2.77Š|
| 17 | F | 89.6 | Confident | 86 | Confident | 71 Ų | 71 | 81.6 Ų | 81.6 | 31% | 0.311 | 43% | 0.426 | S | S | . | . | trans | -66.7 | 136.4 | -174.4 | -175 | -116 | 0 | 0 | 0 | 111.6 | I13 E14 F20 L39 | I13-F17 HydrophobicContact CG2-CB 3.78Å; I13-F17 HydrophobicContact CG2-CD1 3.51Å; I13-F17 HydrophobicContact CG2-CE1 4.44Å; I13-F17 HydrophobicContact CG2-CG 3.96Å; E14-F17 WeakPolarHBondContact O-CB 3.2Å; E14-F17 PolarHBondContact O-N 2.73Å; E14-F17 VanDerWaalsContact O-N 3.08Å; F17-F20 HydrophobicContact CE1-CE2 4.4Å; F17-F20 HydrophobicContact CZ-CD2 4.05Å; F17-F20 HydrophobicContact CZ-CE1 4.43Å; F17-F20 AromaticContact CZ-CE2 3.69Å; F17-F20 HydrophobicContact CZ-CE2 3.69Å; F17-F20 AromaticContact CZ-CZ 3.9Å; F17-F20 HydrophobicContact CZ-CZ 3.9Å; F17-L39 HydrophobicContact CD1-CD1 3.79Å; F17-L39 HydrophobicContact CE1-CD1 4.13Å | ||
| 18 | R | 86.9 | Confident | 87 | Confident | 160 Ų | 160 | 77.7 Ų | 77.7 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | trans | -101.3 | 1.7 | -173.8 | -63.9 | -58.6 | -174.3 | -141.2 | -4.7 | 114.5 | Y37 | R18-Y37 WeakPolarHBondContact O-CD1 3.36Å; R18-Y37 WeakPolarHBondContact O-CD2 3.45Å | ||
| 19 | G | 88.2 | Confident | 87.8 | Confident | 13 Ų | 13 | 80.7 Ų | 80.7 | 13% | 0.134 | 43% | 0.429 | C | S | . | . | trans | 71.7 | -176.4 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112 | V38 | G19-V38 CarbonylContact C-O 3.6Å; G19-V38 VanDerWaalsContact CA-O 3.28Å; G19-V38 WeakPolarHBondContact CA-O 3.41Å | ||
| 20 | F | 90.3 | Very high | 88.1 | Confident | 82 Ų | 82 | 85.6 Ų | 85.6 | 36% | 0.36 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -104.7 | 146.5 | 172.9 | -54.9 | -86.6 | 0 | 0 | 0 | 110 | F17 F25 Y37 V38 P41 | F17-F20 HydrophobicContact CE1-CE2 4.4Å; F17-F20 HydrophobicContact CZ-CD2 4.05Å; F17-F20 HydrophobicContact CZ-CE1 4.43Å; F17-F20 AromaticContact CZ-CE2 3.69Å; F17-F20 HydrophobicContact CZ-CE2 3.69Å; F17-F20 AromaticContact CZ-CZ 3.9Å; F17-F20 HydrophobicContact CZ-CZ 3.9Å; F20-F25 HydrophobicContact CB-CE2 3.49Å; F20-F25 VanDerWaalsContact CB-CE2 3.49Å; F20-F25 HydrophobicContact CB-CZ 3.93Å; F20-F25 HydrophobicContact CD2-CZ 4.28Å; F20-F25 HydrophobicContact CG-CE2 4.2Å; F20-F25 HydrophobicContact CG-CZ 4.12Å; F20-Y37 WeakPolarHBondContact O-CA 3.36Å; F20-Y37 WeakPolarHBondContact O-CB 3.31Å; F20-V38 PolarHBondContact N-O 2.93Å; F20-V38 PolarHBondContact O-N 2.75Å; F20-P41 HydrophobicContact CD2-CG 3.83Å; F20-P41 HydrophobicContact CE2-CG 3.62Å; F20-P41 HydrophobicContact CZ-CG 4.49Å |
| 21 | P | 90.6 | Very high | 88 | Confident | 57 Ų | 57 | 89.1 Ų | 89.1 | 37% | 0.37 | 45% | 0.449 | S | S | . | . | trans | -53.5 | 139.6 | 170.9 | -26.9 | 36.4 | 0 | 0 | 0 | 112.2 | E23 Y24 F25 | P21-E23 VanDerWaalsContact C-N 3.27Å; P21-E23 HydrophobicContact CB-CG 3.56Å; P21-E23 PolarHBondContact O-N 2.99Å; P21-Y24 HydrophobicContact CB-CD2 4.15Å; P21-Y24 HydrophobicContact CB-CE2 3.9Å; P21-Y24 HydrophobicContact CG-CD2 4.19Å; P21-Y24 HydrophobicContact CG-CE2 3.62Å; P21-Y24 PolarHBondContact O-N 3.41Å; P21-F25 WeakPolarHBondContact O-CD2 3.41Å | ||
| 22 | T | 88.1 | Confident | 87.4 | Confident | 40 Ų | 40 | 90.4 Ų | 90.4 | 25% | 0.245 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -64.4 | -32 | -179.5 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | Y24 F25 T27 L35 V38 I206 | T22-Y24 PolarHBondContact O-N 3.42Å; T22-F25 PolarHBondContact O-N 3.38Å; T22-T27 HydrophobicContact CG2-CG2 4.44Å; T22-L35 HydrophobicContact CG2-CB 3.95Å; T22-L35 HydrophobicContact CG2-CD1 4.44Å; T22-V38 HydrophobicContact CG2-CG2 4.37Å; T22-I206 HydrophobicContact CG2-CD1 4.26Å |
| 23 | E | 90 | Very high | 86.9 | Confident | 147 Ų | 147 | 95.1 Ų | 95.1 | 69% | 0.687 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -53.7 | -18.1 | 175.5 | 54.9 | 178.4 | -123.6 | 0 | 0 | 115.5 | P21 | P21-E23 VanDerWaalsContact C-N 3.27Å; P21-E23 HydrophobicContact CB-CG 3.56Å; P21-E23 PolarHBondContact O-N 2.99Å |
| 24 | Y | 92.4 | Very high | 86.5 | Confident | 155 Ų | 155 | 96.2 Ų | 96.2 | 61% | 0.608 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -92.6 | 4.9 | 176.3 | -52.7 | -27.8 | 0 | 0 | 0 | 113.8 | P21 T22 | P21-Y24 HydrophobicContact CB-CD2 4.15Å; P21-Y24 HydrophobicContact CB-CE2 3.9Å; P21-Y24 HydrophobicContact CG-CD2 4.19Å; P21-Y24 HydrophobicContact CG-CE2 3.62Å; P21-Y24 PolarHBondContact O-N 3.41Å; T22-Y24 PolarHBondContact O-N 3.42Å |
| 25 | F | 91.1 | Very high | 86.1 | Confident | 73 Ų | 73 | 91 Ų | 91 | 32% | 0.32 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -135.8 | 153 | -175.7 | -58.5 | -89.9 | 0 | 0 | 0 | 111.9 | F20 P21 T22 T27 V38 P41 | F20-F25 HydrophobicContact CB-CE2 3.49Å; F20-F25 VanDerWaalsContact CB-CE2 3.49Å; F20-F25 HydrophobicContact CB-CZ 3.93Å; F20-F25 HydrophobicContact CD2-CZ 4.28Å; F20-F25 HydrophobicContact CG-CE2 4.2Å; F20-F25 HydrophobicContact CG-CZ 4.12Å; P21-F25 WeakPolarHBondContact O-CD2 3.41Å; T22-F25 PolarHBondContact O-N 3.38Å; F25-T27 PolarHBondContact O-N 2.93Å; F25-T27 VanDerWaalsContact O-N 3.08Å; F25-V38 HydrophobicContact CB-CG2 4.33Å; F25-V38 HydrophobicContact CD2-CB 4.14Å; F25-V38 HydrophobicContact CD2-CG2 3.75Å; F25-V38 HydrophobicContact CE2-CB 4.21Å; F25-V38 HydrophobicContact CE2-CG1 4.49Å; F25-V38 HydrophobicContact CE2-CG2 4.33Å; F25-V38 HydrophobicContact CG-CG2 4.04Å; F25-P41 HydrophobicContact CE1-CB 3.92Å; F25-P41 HydrophobicContact CE1-CG 3.94Å; F25-P41 HydrophobicContact CZ-CB 4.49Å; F25-P41 HydrophobicContact CZ-CG 4.01Å |
| 26 | C | 88.3 | Confident | 85.9 | Confident | 133 Ų | 133 | 89.8 Ų | 89.8 | 90% | 0.899 | 45% | 0.449 | S | S | * | . | trans | -76.6 | 91.6 | 169.2 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 27 | T | 83.4 | Confident | 85.8 | Confident | 33 Ų | 33 | 88.3 Ų | 88.3 | 20% | 0.202 | 43% | 0.431 | C | S | . | . | trans | -86 | 154.4 | 165.2 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | T22 F25 P29 D32 L35 I206 | T22-T27 HydrophobicContact CG2-CG2 4.44Å; F25-T27 PolarHBondContact O-N 2.93Å; F25-T27 VanDerWaalsContact O-N 3.08Å; T27-P29 WeakPolarHBondContact O-CD 3.49Å; T27-D32 PolarHBondContact OG1-OD1 3.36Å; T27-L35 HydrophobicContact CG2-CD1 4.02Å; T27-I206 HydrophobicContact CG2-CD1 4.49Å | ||
| 28 | S | 83.6 | Confident | 85.7 | Confident | 35 Ų | 35 | 85.1 Ų | 85.1 | 25% | 0.245 | 42% | 0.417 | C | S | . | . | trans | -78.1 | 120.9 | 171.2 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | R30 Y31 Y225 | S28-R30 PolarHBondContact O-N 3.17Å; S28-Y31 PolarHBondContact O-N 3.38Å; S28-Y225 WeakPolarHBondContact CB-O 3.12Å; S28-Y225 WeakPolarHBondContact CB-OXT 3.48Å; S28-Y225 PolarHBondContact N-OXT 2.84Å | ||
| 29 | P | 84.2 | Confident | 85.8 | Confident | 109 Ų | 109 | 77.9 Ų | 77.9 | 71% | 0.708 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -5.3 | -172.7 | -27.7 | 35.9 | 0 | 0 | 0 | 116.7 | T27 Y31 D32 | T27-P29 WeakPolarHBondContact O-CD 3.49Å; P29-Y31 PolarHBondContact O-N 2.65Å; P29-D32 WeakPolarHBondContact CA-OD2 3.5Å |
| 30 | R | 85.4 | Confident | 85.8 | Confident | 223 Ų | 223 | 77.3 Ų | 77.3 | 84% | 0.842 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -11 | 172.2 | -66.1 | -177.7 | 175.1 | -170.8 | -2.6 | 113.4 | S28 | S28-R30 PolarHBondContact O-N 3.17Š|
| 31 | Y | 82.1 | Confident | 85.9 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 38% | 0.384 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -124.6 | -14.5 | -169.9 | -60.5 | -79.5 | 0 | 0 | 0 | 114.3 | S28 P29 E33 C34 L35 I222 L224 | S28-Y31 PolarHBondContact O-N 3.38Å; P29-Y31 PolarHBondContact O-N 2.65Å; Y31-E33 PolarHBondContact O-N 3.33Å; Y31-C34 WeakPolarHBondContact O-CA 3.34Å; Y31-C34 VanDerWaalsContact O-CB 3.23Å; Y31-C34 WeakPolarHBondContact O-CB 3.25Å; Y31-C34 PolarHBondContact O-N 3.05Å; Y31-L35 VanDerWaalsContact O-CG 3.3Å; Y31-L35 WeakPolarHBondContact O-CG 3.47Å; Y31-I222 HydrophobicContact CD1-CG2 4.5Å; Y31-L224 HydrophobicContact CD1-CD2 3.68Å; Y31-L224 HydrophobicContact CD2-CD1 4.14Å; Y31-L224 HydrophobicContact CD2-CD2 3.34Å; Y31-L224 HydrophobicContact CD2-CG 4.41Å; Y31-L224 HydrophobicContact CE1-CD2 3.88Å; Y31-L224 HydrophobicContact CE2-CD2 3.57Å; Y31-L224 HydrophobicContact CG-CD1 4.04Å; Y31-L224 HydrophobicContact CG-CD2 3.39Å; Y31-L224 HydrophobicContact CG-CG 4.37Å |
| 32 | D | 78.3 | Confident | 85.9 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -50.4 | -36.6 | -166.4 | -62.6 | -22.3 | 0 | 0 | 0 | 114.3 | T27 P29 C34 L35 | T27-D32 PolarHBondContact OG1-OD1 3.36Å; P29-D32 WeakPolarHBondContact CA-OD2 3.5Å; D32-C34 PolarHBondContact O-N 3.26Å; D32-L35 PolarHBondContact O-N 3.36Å |
| 33 | E | 80.3 | Confident | 86.1 | Confident | 179 Ų | 179 | 73.2 Ų | 73.2 | 84% | 0.836 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -63.2 | -20.3 | 175.4 | -59.2 | -175.4 | 165.7 | 0 | 0 | 114.9 | Y31 | Y31-E33 PolarHBondContact O-N 3.33Š|
| 34 | C | 80.5 | Confident | 86.3 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -93.7 | -5.5 | -175.7 | -56.6 | 0 | 0 | 0 | 0 | 113.8 | Y31 D32 S204 I222 | Y31-C34 WeakPolarHBondContact O-CA 3.34Å; Y31-C34 VanDerWaalsContact O-CB 3.23Å; Y31-C34 WeakPolarHBondContact O-CB 3.25Å; Y31-C34 PolarHBondContact O-N 3.05Å; D32-C34 PolarHBondContact O-N 3.26Å; C34-S204 PolarHBondContact O-N 2.76Å; C34-I222 HydrophobicContact CB-CD1 4.06Å |
| 35 | L | 79.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.9 | -162 | -42.2 | 171.5 | 0 | 0 | 0 | 110.9 | T22 T27 Y31 D32 I206 L224 | T22-L35 HydrophobicContact CG2-CB 3.95Å; T22-L35 HydrophobicContact CG2-CD1 4.44Å; T27-L35 HydrophobicContact CG2-CD1 4.02Å; Y31-L35 VanDerWaalsContact O-CG 3.3Å; Y31-L35 WeakPolarHBondContact O-CG 3.47Å; D32-L35 PolarHBondContact O-N 3.36Å; L35-I206 HydrophobicContact CB-CD1 4.05Å; L35-I206 HydrophobicContact CB-CG1 4.43Å; L35-I206 HydrophobicContact CD1-CD1 3.9Å; L35-I206 HydrophobicContact CD2-CD1 3.91Å; L35-I206 HydrophobicContact CD2-CG1 3.74Å; L35-I206 HydrophobicContact CG-CD1 4.11Å; L35-I206 HydrophobicContact CG-CG1 4.44Å; L35-L224 HydrophobicContact CD1-CD1 3.34Å; L35-L224 HydrophobicContact CD2-CD1 3.5Å; L35-L224 HydrophobicContact CD2-CG 4.13Å; L35-L224 HydrophobicContact CG-CD1 4.03Å |
| 36 | D | 82.2 | Confident | 86.3 | Confident | 65 Ų | 65 | 64.5 Ų | 64.5 | 35% | 0.348 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -31.1 | 172.5 | -63.3 | -62.3 | 0 | 0 | 0 | 112.6 | R203 | D36-R203 WeakPolarHBondContact OD1-CD 3.36Å; D36-R203 IonicContact OD1-CZ 3.71Å; D36-R203 IonicContact OD1-NE 3.86Å; D36-R203 IonicContact OD1-NH1 2.77Å; D36-R203 PolarHBondContact OD1-NH1 3.28Å; D36-R203 VanDerWaalsContact OD2-CB 3.32Å; D36-R203 WeakPolarHBondContact OD2-CB 3.45Å |
| 37 | Y | 86.8 | Confident | 86.6 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 22% | 0.216 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | 161.5 | -178.9 | 51.9 | -96.3 | 0 | 0 | 0 | 113.4 | R18 F20 L39 C205 I206 | R18-Y37 WeakPolarHBondContact O-CD1 3.36Å; R18-Y37 WeakPolarHBondContact O-CD2 3.45Å; F20-Y37 WeakPolarHBondContact O-CA 3.36Å; F20-Y37 WeakPolarHBondContact O-CB 3.31Å; Y37-L39 HydrophobicContact CD2-CB 4.28Å; Y37-L39 HydrophobicContact CE2-CB 4.11Å; Y37-L39 HydrophobicContact CE2-CD1 3.93Å; Y37-C205 HydrophobicContact CE2-CB 3.91Å; Y37-C205 VanDerWaalsContact CZ-SG 3.58Å; Y37-C205 PolarHBondContact OH-SG 2.94Å; Y37-I206 PolarHBondContact O-N 3.03Å |
| 38 | V | 87.6 | Confident | 87.1 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110.4 | 166.1 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | G19 F20 T22 F25 I206 | G19-V38 CarbonylContact C-O 3.6Å; G19-V38 VanDerWaalsContact CA-O 3.28Å; G19-V38 WeakPolarHBondContact CA-O 3.41Å; F20-V38 PolarHBondContact N-O 2.93Å; F20-V38 PolarHBondContact O-N 2.75Å; T22-V38 HydrophobicContact CG2-CG2 4.37Å; F25-V38 HydrophobicContact CB-CG2 4.33Å; F25-V38 HydrophobicContact CD2-CB 4.14Å; F25-V38 HydrophobicContact CD2-CG2 3.75Å; F25-V38 HydrophobicContact CE2-CB 4.21Å; F25-V38 HydrophobicContact CE2-CG1 4.49Å; F25-V38 HydrophobicContact CE2-CG2 4.33Å; F25-V38 HydrophobicContact CG-CG2 4.04Å; V38-I206 HydrophobicContact CG2-CD1 3.99Å |
| 39 | L | 88.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -36.3 | 177.2 | -171.5 | 73.6 | 0 | 0 | 0 | 112 | I13 F17 Y37 L191 I206 I207 | I13-L39 HydrophobicContact CD1-CG 4.36Å; I13-L39 HydrophobicContact CG2-CD1 4.49Å; F17-L39 HydrophobicContact CD1-CD1 3.79Å; F17-L39 HydrophobicContact CE1-CD1 4.13Å; Y37-L39 HydrophobicContact CD2-CB 4.28Å; Y37-L39 HydrophobicContact CE2-CB 4.11Å; Y37-L39 HydrophobicContact CE2-CD1 3.93Å; L39-L191 HydrophobicContact CD2-CD2 3.35Å; L39-I206 VanDerWaalsContact CB-O 3.26Å; L39-I206 WeakPolarHBondContact CB-O 3.35Å; L39-I206 PolarHBondContact N-O 3.34Å; L39-I206 VanDerWaalsContact N-O 3.13Å; L39-I207 HydrophobicContact CB-CG1 4.26Å; L39-I207 HydrophobicContact CD2-CD1 3.9Å; L39-I207 HydrophobicContact CD2-CG1 4.03Å |
| 40 | I | 89.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 110 | -173 | -51.2 | 173 | 0 | 0 | 0 | 109.4 | I13 M44 I45 L170 I187 I207 C208 | I13-I40 HydrophobicContact CD1-CD1 4.06Å; I13-I40 HydrophobicContact CD1-CG1 3.71Å; I40-M44 HydrophobicContact CG2-SD 4.49Å; I40-I45 HydrophobicContact CB-CD1 4.48Å; I40-I45 HydrophobicContact CG2-CD1 3.92Å; I40-I45 HydrophobicContact CG2-CG1 3.5Å; I40-L170 HydrophobicContact CD1-CD2 3.7Å; I40-I187 HydrophobicContact CB-CD1 4.43Å; I40-I187 HydrophobicContact CD1-CB 4.29Å; I40-I187 HydrophobicContact CD1-CD1 3.73Å; I40-I187 HydrophobicContact CD1-CG2 3.74Å; I40-I187 HydrophobicContact CG1-CD1 4.16Å; I40-I187 HydrophobicContact CG2-CD1 3.41Å; I40-I187 VanDerWaalsContact CG2-CD1 3.41Å; I40-I207 HydrophobicContact CB-CG2 4.4Å; I40-I207 HydrophobicContact CD1-CB 4.36Å; I40-I207 HydrophobicContact CD1-CD1 3.74Å; I40-I207 HydrophobicContact CD1-CG1 3.79Å; I40-I207 HydrophobicContact CD1-CG2 3.76Å; I40-I207 HydrophobicContact CG1-CG1 4.19Å; I40-I207 HydrophobicContact CG1-CG2 4.44Å; I40-C208 VanDerWaalsContact O-CB 3.27Å; I40-C208 WeakPolarHBondContact O-CB 3.5Å |
| 41 | P | 91.8 | Very high | 88.5 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | trans | -62.6 | 143.5 | 172.7 | -25.4 | 36.3 | 0 | 0 | 0 | 112.7 | F20 F25 G43 M44 I45 | F20-P41 HydrophobicContact CD2-CG 3.83Å; F20-P41 HydrophobicContact CE2-CG 3.62Å; F20-P41 HydrophobicContact CZ-CG 4.49Å; F25-P41 HydrophobicContact CE1-CB 3.92Å; F25-P41 HydrophobicContact CE1-CG 3.94Å; F25-P41 HydrophobicContact CZ-CB 4.49Å; F25-P41 HydrophobicContact CZ-CG 4.01Å; P41-G43 PolarHBondContact O-N 3.07Å; P41-M44 PolarHBondContact O-N 3.12Å; P41-I45 PolarHBondContact O-N 2.91Å | ||
| 42 | N | 90.4 | Very high | 89.1 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -27.9 | -178.3 | -174.7 | -105.4 | 0 | 0 | 0 | 114.2 | I45 K46 C208 | N42-I45 PolarHBondContact O-N 3.23Å; N42-K46 PolarHBondContact O-N 2.72Å; N42-K46 WeakPolarHBondContact OD1-CE 3.31Å; N42-K46 PolarHBondContact OD1-NZ 3.18Å; N42-C208 PolarHBondContact ND2-O 3.45Å |
| 43 | G | 92.8 | Very high | 89.9 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 38% | 0.381 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.9 | -55 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | P41 I45 K46 D47 | P41-G43 PolarHBondContact O-N 3.07Å; G43-I45 PolarHBondContact O-N 3.02Å; G43-I45 VanDerWaalsContact O-N 3.11Å; G43-K46 WeakPolarHBondContact O-CA 3.42Å; G43-K46 WeakPolarHBondContact O-CB 3.18Å; G43-K46 PolarHBondContact O-N 3.04Å; G43-D47 PolarHBondContact O-N 3.44Å |
| 44 | M | 92.7 | Very high | 90.6 | Very high | 78 Ų | 78 | 41.1 Ų | 41.1 | 38% | 0.384 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56 | -32.9 | 177.6 | 175.5 | 177.6 | -83.9 | 0 | 0 | 113 | V11 I40 P41 R48 I187 | V11-M44 HydrophobicContact CG1-SD 4.14Å; I40-M44 HydrophobicContact CG2-SD 4.49Å; P41-M44 PolarHBondContact O-N 3.12Å; M44-R48 PolarHBondContact O-N 2.82Å; M44-I187 HydrophobicContact CG-CD1 4.4Å; M44-I187 HydrophobicContact SD-CD1 4.33Å |
| 45 | I | 91.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -50.6 | 173.2 | -62.6 | 177.5 | 0 | 0 | 0 | 110.3 | I40 P41 N42 G43 L49 L169 C208 I209 | I40-I45 HydrophobicContact CB-CD1 4.48Å; I40-I45 HydrophobicContact CG2-CD1 3.92Å; I40-I45 HydrophobicContact CG2-CG1 3.5Å; P41-I45 PolarHBondContact O-N 2.91Å; N42-I45 PolarHBondContact O-N 3.23Å; G43-I45 PolarHBondContact O-N 3.02Å; G43-I45 VanDerWaalsContact O-N 3.11Å; I45-L49 WeakPolarHBondContact O-CB 3.13Å; I45-L49 PolarHBondContact O-N 3.4Å; I45-L169 HydrophobicContact CG2-CD1 3.81Å; I45-C208 HydrophobicContact CD1-CB 4.44Å; I45-I209 HydrophobicContact CD1-CD1 4.14Å; I45-I209 HydrophobicContact CD1-CG1 3.75Å; I45-I209 HydrophobicContact CG2-CD1 3.79Å; I45-I209 HydrophobicContact CG2-CG1 4.41Å |
| 46 | K | 92.8 | Very high | 92 | Very high | 114 Ų | 114 | 39.1 Ų | 39.1 | 50% | 0.496 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 179 | -74.6 | 164.9 | 168.8 | 158.8 | 0 | 112.2 | N42 G43 R48 L49 E50 | N42-K46 PolarHBondContact O-N 2.72Å; N42-K46 WeakPolarHBondContact OD1-CE 3.31Å; N42-K46 PolarHBondContact OD1-NZ 3.18Å; G43-K46 WeakPolarHBondContact O-CA 3.42Å; G43-K46 WeakPolarHBondContact O-CB 3.18Å; G43-K46 PolarHBondContact O-N 3.04Å; K46-R48 PolarHBondContact O-N 3.46Å; K46-L49 PolarHBondContact O-N 2.94Å; K46-E50 WeakPolarHBondContact O-CB 3.44Å; K46-E50 PolarHBondContact O-N 3.03Å |
| 47 | D | 94.5 | Very high | 92.6 | Very high | 112 Ų | 112 | 36 Ų | 36 | 60% | 0.599 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -61.5 | -47.5 | -177.9 | -53.3 | -27.2 | 0 | 0 | 0 | 111.4 | G43 K51 | G43-D47 PolarHBondContact O-N 3.44Å; D47-K51 PolarHBondContact O-N 3.42Å |
| 48 | R | 93.8 | Very high | 93 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 10% | 0.102 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74.1 | -29.8 | 178.4 | 176.8 | 62.6 | -161.8 | 118.1 | -22.2 | 112.5 | D9 V11 M44 K46 K51 M52 D55 I186 | D9-R48 PolarHBondContact O-NH2 3.22Å; V11-R48 HydrophobicContact CG2-CG 4.41Å; M44-R48 PolarHBondContact O-N 2.82Å; K46-R48 PolarHBondContact O-N 3.46Å; R48-K51 VanDerWaalsContact NH1-C 3.29Å; R48-M52 WeakPolarHBondContact O-CB 3.15Å; R48-M52 PolarHBondContact O-N 3.15Å; R48-D55 IonicContact CZ-OD2 2.65Å; R48-D55 IonicContact NH1-OD2 3.05Å; R48-D55 PolarHBondContact NH1-OD2 3.18Å; R48-D55 IonicContact NH2-OD2 3.3Å; R48-D55 PolarHBondContact NH2-OD2 3.2Å; R48-I186 HydrophobicContact CB-CG2 3.89Å; R48-I186 HydrophobicContact CG-CB 4.07Å; R48-I186 HydrophobicContact CG-CG1 4.36Å; R48-I186 HydrophobicContact CG-CG2 3.62Å; R48-I186 WeakPolarHBondContact CG-O 3.37Å |
| 49 | L | 94.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 172.4 | -178.5 | 148.8 | 0 | 0 | 0 | 111.3 | I45 K46 K51 M52 S53 F80 D83 I186 | I45-L49 WeakPolarHBondContact O-CB 3.13Å; I45-L49 PolarHBondContact O-N 3.4Å; K46-L49 PolarHBondContact O-N 2.94Å; L49-K51 PolarHBondContact O-N 3.3Å; L49-M52 CarbonylContact O-C 3.54Å; L49-M52 WeakPolarHBondContact O-CA 3.12Å; L49-M52 VanDerWaalsContact O-CB 3.31Å; L49-M52 WeakPolarHBondContact O-CB 3.41Å; L49-M52 PolarHBondContact O-N 2.77Å; L49-S53 PolarHBondContact O-N 2.9Å; L49-S53 PolarHBondContact O-OG 2.7Å; L49-F80 HydrophobicContact CD1-CD2 3.87Å; L49-F80 HydrophobicContact CD1-CE2 3.95Å; L49-D83 HydrophobicContact CD1-CB 3.61Å; L49-D83 VanDerWaalsContact CD2-O 3.28Å; L49-D83 WeakPolarHBondContact CD2-O 3.48Å; L49-I186 HydrophobicContact CB-CD1 3.75Å; L49-I186 HydrophobicContact CD1-CD1 4.14Å; L49-I186 HydrophobicContact CG-CD1 4.2Å |
| 50 | E | 94.5 | Very high | 93.6 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 176.1 | 175.3 | 158.8 | -86.4 | 0 | 0 | 111.2 | K46 M52 S53 M54 R90 | K46-E50 WeakPolarHBondContact O-CB 3.44Å; K46-E50 PolarHBondContact O-N 3.03Å; E50-M52 PolarHBondContact O-N 2.93Å; E50-S53 PolarHBondContact O-N 3.21Å; E50-M54 WeakPolarHBondContact O-CG 3.44Å; E50-M54 PolarHBondContact O-N 2.93Å; E50-R90 IonicContact OE1-CZ 3.45Å; E50-R90 VanDerWaalsContact OE1-CZ 3.3Å; E50-R90 IonicContact OE1-NH1 3.83Å; E50-R90 PolarHBondContact OE1-NH1 3.37Å; E50-R90 IonicContact OE1-NH2 2.58Å; E50-R90 PolarHBondContact OE1-NH2 3.48Å |
| 51 | K | 94.5 | Very high | 93.7 | Very high | 77 Ų | 77 | 40.2 Ų | 40.2 | 34% | 0.335 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.5 | -33.8 | 172.6 | -178 | 67.9 | -144.5 | 75.9 | 0 | 112.1 | D47 R48 L49 M54 D55 | D47-K51 PolarHBondContact O-N 3.42Å; R48-K51 VanDerWaalsContact NH1-C 3.29Å; L49-K51 PolarHBondContact O-N 3.3Å; K51-M54 HydrophobicContact CD-SD 4.36Å; K51-M54 WeakPolarHBondContact O-CB 3.35Å; K51-M54 PolarHBondContact O-N 3.27Å; K51-D55 IonicContact NZ-OD1 3.15Å; K51-D55 PolarHBondContact NZ-OD1 3.21Å; K51-D55 IonicContact NZ-OD2 2.97Å; K51-D55 PolarHBondContact NZ-OD2 3.36Å; K51-D55 VanDerWaalsContact NZ-OD2 3.15Å; K51-D55 VanDerWaalsContact O-CG 3.29Å; K51-D55 PolarHBondContact O-N 2.95Å; K51-D55 VanDerWaalsContact O-N 3.12Å |
| 52 | M | 94.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.5 | -40.9 | 177.7 | 164.7 | 177.9 | -68.5 | 0 | 0 | 111.9 | R48 L49 E50 M54 D55 I56 F80 L84 A167 C184 K185 I186 | R48-M52 WeakPolarHBondContact O-CB 3.15Å; R48-M52 PolarHBondContact O-N 3.15Å; L49-M52 CarbonylContact O-C 3.54Å; L49-M52 WeakPolarHBondContact O-CA 3.12Å; L49-M52 VanDerWaalsContact O-CB 3.31Å; L49-M52 WeakPolarHBondContact O-CB 3.41Å; L49-M52 PolarHBondContact O-N 2.77Å; E50-M52 PolarHBondContact O-N 2.93Å; M52-M54 PolarHBondContact O-N 2.81Å; M52-D55 PolarHBondContact O-N 3.5Å; M52-D55 VanDerWaalsContact O-N 3.07Å; M52-I56 HydrophobicContact CG-CD1 3.52Å; M52-I56 HydrophobicContact CG-CG1 4.26Å; M52-I56 WeakPolarHBondContact O-CG1 3.31Å; M52-I56 PolarHBondContact O-N 2.85Å; M52-I56 HydrophobicContact SD-CD1 4.22Å; M52-F80 HydrophobicContact SD-CE2 4.24Å; M52-F80 HydrophobicContact SD-CZ 3.86Å; M52-L84 HydrophobicContact CG-CD1 4.32Å; M52-L84 HydrophobicContact SD-CD1 4.33Å; M52-A167 HydrophobicContact SD-CB 4.24Å; M52-C184 HydrophobicContact CE-CB 3.57Å; M52-C184 HydrophobicContact CG-CB 4.22Å; M52-C184 HydrophobicContact SD-CB 4.03Å; M52-K185 VanDerWaalsContact CE-N 3.27Å; M52-I186 HydrophobicContact CE-CB 4.39Å; M52-I186 HydrophobicContact CE-CD1 4.5Å; M52-I186 HydrophobicContact CE-CG1 3.47Å; M52-I186 VanDerWaalsContact CE-CG1 3.47Å; M52-I186 HydrophobicContact SD-CD1 4.25Å; M52-I186 HydrophobicContact SD-CG1 3.82Å |
| 53 | S | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -39 | 173.7 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | L49 E50 V57 G87 L88 | L49-S53 PolarHBondContact O-N 2.9Å; L49-S53 PolarHBondContact O-OG 2.7Å; E50-S53 PolarHBondContact O-N 3.21Å; S53-V57 WeakPolarHBondContact O-CB 3.41Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-V57 PolarHBondContact O-N 2.92Å; S53-G87 WeakPolarHBondContact CB-O 3.43Å; S53-G87 VanDerWaalsContact OG-CA 3.31Å; S53-G87 WeakPolarHBondContact OG-CA 3.44Å; S53-L88 PolarHBondContact OG-N 3.26Å |
| 54 | M | 94.7 | Very high | 94 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 41% | 0.414 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -50.5 | 170.1 | -57.4 | 172.6 | 77.5 | 0 | 0 | 112.2 | E50 K51 M52 I56 V57 D58 T91 | E50-M54 WeakPolarHBondContact O-CG 3.44Å; E50-M54 PolarHBondContact O-N 2.93Å; K51-M54 HydrophobicContact CD-SD 4.36Å; K51-M54 WeakPolarHBondContact O-CB 3.35Å; K51-M54 PolarHBondContact O-N 3.27Å; M52-M54 PolarHBondContact O-N 2.81Å; M54-I56 PolarHBondContact O-N 3.34Å; M54-V57 PolarHBondContact O-N 3.24Å; M54-D58 WeakPolarHBondContact O-CB 3.42Å; M54-D58 PolarHBondContact O-N 2.96Å; M54-T91 HydrophobicContact CG-CG2 4.29Å |
| 55 | D | 94.5 | Very high | 94 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -35 | -178.8 | -64.7 | -46.1 | 0 | 0 | 0 | 112.5 | I6 R48 K51 M52 Y59 | I6-D55 HydrophobicContact CG2-CB 3.92Å; R48-D55 IonicContact CZ-OD2 2.65Å; R48-D55 IonicContact NH1-OD2 3.05Å; R48-D55 PolarHBondContact NH1-OD2 3.18Å; R48-D55 IonicContact NH2-OD2 3.3Å; R48-D55 PolarHBondContact NH2-OD2 3.2Å; K51-D55 IonicContact NZ-OD1 3.15Å; K51-D55 PolarHBondContact NZ-OD1 3.21Å; K51-D55 IonicContact NZ-OD2 2.97Å; K51-D55 PolarHBondContact NZ-OD2 3.36Å; K51-D55 VanDerWaalsContact NZ-OD2 3.15Å; K51-D55 VanDerWaalsContact O-CG 3.29Å; K51-D55 PolarHBondContact O-N 2.95Å; K51-D55 VanDerWaalsContact O-N 3.12Å; M52-D55 PolarHBondContact O-N 3.5Å; M52-D55 VanDerWaalsContact O-N 3.07Å; D55-Y59 WeakPolarHBondContact O-CB 3.16Å; D55-Y59 PolarHBondContact O-N 3.46Å |
| 56 | I | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.7 | -45.6 | 177.4 | -70 | 162 | 0 | 0 | 0 | 111.3 | M52 M54 Y59 Y60 L84 L88 L137 A167 C184 | M52-I56 HydrophobicContact CG-CD1 3.52Å; M52-I56 HydrophobicContact CG-CG1 4.26Å; M52-I56 WeakPolarHBondContact O-CG1 3.31Å; M52-I56 PolarHBondContact O-N 2.85Å; M52-I56 HydrophobicContact SD-CD1 4.22Å; M54-I56 PolarHBondContact O-N 3.34Å; I56-Y59 PolarHBondContact O-N 3.38Å; I56-Y60 HydrophobicContact CG2-CD2 3.71Å; I56-Y60 HydrophobicContact CG2-CE2 3.81Å; I56-Y60 WeakPolarHBondContact O-CD2 3.35Å; I56-Y60 PolarHBondContact O-N 3.46Å; I56-L84 HydrophobicContact CD1-CD1 3.94Å; I56-L88 HydrophobicContact CB-CD2 3.99Å; I56-L88 HydrophobicContact CG2-CD2 3.7Å; I56-L137 HydrophobicContact CD1-CD2 4Å; I56-L137 HydrophobicContact CG1-CD2 4.46Å; I56-L137 HydrophobicContact CG2-CD2 3.93Å; I56-A167 HydrophobicContact CD1-CB 4.4Å; I56-C184 HydrophobicContact CD1-CB 4.49Å; I56-C184 HydrophobicContact CG1-CB 4.48Å |
| 57 | V | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 178.9 | 165 | 0 | 0 | 0 | 0 | 111.2 | S53 M54 Y59 Y60 E61 L88 T91 V92 I97 | S53-V57 WeakPolarHBondContact O-CB 3.41Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-V57 PolarHBondContact O-N 2.92Å; M54-V57 PolarHBondContact O-N 3.24Å; V57-Y59 PolarHBondContact O-N 2.85Å; V57-Y60 PolarHBondContact O-N 3.08Å; V57-E61 WeakPolarHBondContact O-CB 3.24Å; V57-E61 PolarHBondContact O-N 2.65Å; V57-L88 HydrophobicContact CG2-CD2 3.83Å; V57-T91 HydrophobicContact CB-CG2 3.77Å; V57-T91 HydrophobicContact CG1-CG2 3.93Å; V57-T91 HydrophobicContact CG2-CG2 3.77Å; V57-V92 HydrophobicContact CG2-CG2 3.93Å; V57-I97 HydrophobicContact CG1-CD1 3.48Å; V57-I97 VanDerWaalsContact CG1-CD1 3.48Å |
| 58 | D | 94 | Very high | 94.4 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.6 | -40.6 | 176.5 | -68.8 | -6.5 | 0 | 0 | 0 | 111.3 | M54 A62 R95 | M54-D58 WeakPolarHBondContact O-CB 3.42Å; M54-D58 PolarHBondContact O-N 2.96Å; D58-A62 WeakPolarHBondContact O-CB 3.31Å; D58-A62 PolarHBondContact O-N 3.05Å; D58-R95 IonicContact OD1-CZ 3.3Å; D58-R95 IonicContact OD1-NH1 3.27Å; D58-R95 PolarHBondContact OD1-NH1 2.87Å |
| 59 | Y | 94.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 11% | 0.106 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.7 | -48.9 | 177.2 | 165.4 | -102.4 | 0 | 0 | 0 | 113.3 | N4 I6 D55 I56 V57 A62 C63 K165 | N4-Y59 HydrophobicContact CB-CD2 4.14Å; N4-Y59 HydrophobicContact CB-CE2 4.09Å; N4-Y59 VanDerWaalsContact O-CE2 3.25Å; N4-Y59 WeakPolarHBondContact O-CE2 3.18Å; I6-Y59 HydrophobicContact CD1-CD1 3.74Å; I6-Y59 HydrophobicContact CD1-CE1 4.25Å; I6-Y59 HydrophobicContact CD1-CG 4.05Å; I6-Y59 HydrophobicContact CG1-CD1 3.68Å; I6-Y59 HydrophobicContact CG1-CD2 3.93Å; I6-Y59 HydrophobicContact CG1-CE1 4.35Å; I6-Y59 HydrophobicContact CG1-CG 3.44Å; I6-Y59 VanDerWaalsContact CG1-CG 3.44Å; D55-Y59 WeakPolarHBondContact O-CB 3.16Å; D55-Y59 PolarHBondContact O-N 3.46Å; I56-Y59 PolarHBondContact O-N 3.38Å; V57-Y59 PolarHBondContact O-N 2.85Å; Y59-A62 PolarHBondContact O-N 2.89Å; Y59-C63 WeakPolarHBondContact CE2-SG 3.23Å; Y59-C63 PolarHBondContact O-N 3.37Å; Y59-C63 PolarHBondContact O-SG 2.94Å; Y59-K165 HydrophobicContact CE1-CD 4.22Å; Y59-K165 HydrophobicContact CE1-CG 3.87Å; Y59-K165 WeakPolarHBondContact OH-CE 3.26Å |
| 60 | Y | 94.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.4 | -34.8 | -176.6 | -80.8 | -59.9 | 0 | 0 | 0 | 112.4 | I56 V57 C63 N64 A65 I68 N135 | I56-Y60 HydrophobicContact CG2-CD2 3.71Å; I56-Y60 HydrophobicContact CG2-CE2 3.81Å; I56-Y60 WeakPolarHBondContact O-CD2 3.35Å; I56-Y60 PolarHBondContact O-N 3.46Å; V57-Y60 PolarHBondContact O-N 3.08Å; Y60-C63 PolarHBondContact O-N 3.1Å; Y60-N64 PolarHBondContact O-N 3.19Å; Y60-A65 HydrophobicContact CD1-CB 3.81Å; Y60-A65 HydrophobicContact CG-CB 4.3Å; Y60-A65 VanDerWaalsContact O-CB 3.25Å; Y60-A65 WeakPolarHBondContact O-CB 3.44Å; Y60-A65 PolarHBondContact O-N 2.82Å; Y60-I68 HydrophobicContact CD1-CG2 3.62Å; Y60-I68 HydrophobicContact CD2-CD1 4.3Å; Y60-I68 HydrophobicContact CD2-CG2 3.73Å; Y60-I68 HydrophobicContact CE1-CG2 3.7Å; Y60-I68 HydrophobicContact CE2-CD1 4.36Å; Y60-I68 HydrophobicContact CE2-CG2 3.79Å; Y60-I68 HydrophobicContact CG-CG2 3.64Å; Y60-N135 HydrophobicContact CE1-CB 3.9Å |
| 61 | E | 93.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 34.9 Ų | 34.9 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.8 | -50.4 | 168.5 | -178.5 | -167.1 | -132.6 | 0 | 0 | 111.3 | V57 C63 N64 R95 | V57-E61 WeakPolarHBondContact O-CB 3.24Å; V57-E61 PolarHBondContact O-N 2.65Å; E61-C63 PolarHBondContact O-N 3.06Å; E61-C63 VanDerWaalsContact O-N 3.11Å; E61-N64 WeakPolarHBondContact O-CA 3.49Å; E61-N64 PolarHBondContact O-N 3.4Å; E61-R95 IonicContact OE1-CZ 2.77Å; E61-R95 IonicContact OE1-NH1 2.78Å; E61-R95 IonicContact OE1-NH2 3.61Å; E61-R95 PolarHBondContact OE1-NH2 2.82Å; E61-R95 IonicContact OE2-CZ 3.69Å; E61-R95 IonicContact OE2-NH1 2.73Å; E61-R95 PolarHBondContact OE2-NH1 3.06Å; E61-R95 IonicContact OE2-NH2 3.17Å; E61-R95 PolarHBondContact OE2-NH2 3Å |
| 62 | A | 93.4 | Very high | 94.8 | Very high | 54 Ų | 54 | 31.2 Ų | 31.2 | 45% | 0.446 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.1 | -18.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N4 D58 Y59 | N4-A62 PolarHBondContact ND2-O 3.14Å; N4-A62 VanDerWaalsContact ND2-O 3.14Å; D58-A62 WeakPolarHBondContact O-CB 3.31Å; D58-A62 PolarHBondContact O-N 3.05Å; Y59-A62 PolarHBondContact O-N 2.89Å |
| 63 | C | 92 | Very high | 94.7 | Very high | 47 Ų | 47 | 31.3 Ų | 31.3 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 4.2 | 172.4 | -62 | 0 | 0 | 0 | 0 | 113.9 | Y59 Y60 E61 A65 | Y59-C63 WeakPolarHBondContact CE2-SG 3.23Å; Y59-C63 PolarHBondContact O-N 3.37Å; Y59-C63 PolarHBondContact O-SG 2.94Å; Y60-C63 PolarHBondContact O-N 3.1Å; E61-C63 PolarHBondContact O-N 3.06Å; E61-C63 VanDerWaalsContact O-N 3.11Å; C63-A65 VanDerWaalsContact C-N 3.29Å; C63-A65 PolarHBondContact O-N 3.13Å |
| 64 | N | 93.9 | Very high | 94.5 | Very high | 137 Ų | 137 | 34 Ų | 34 | 73% | 0.733 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 46.5 | -174.5 | -61.8 | -92 | 0 | 0 | 0 | 112.2 | Y60 E61 T66 | Y60-N64 PolarHBondContact O-N 3.19Å; E61-N64 WeakPolarHBondContact O-CA 3.49Å; E61-N64 PolarHBondContact O-N 3.4Å; N64-T66 PolarHBondContact O-N 2.95Å |
| 65 | A | 94.5 | Very high | 94.1 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | trans | -73.2 | 122.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y60 C63 S67 L99 | Y60-A65 HydrophobicContact CD1-CB 3.81Å; Y60-A65 HydrophobicContact CG-CB 4.3Å; Y60-A65 VanDerWaalsContact O-CB 3.25Å; Y60-A65 WeakPolarHBondContact O-CB 3.44Å; Y60-A65 PolarHBondContact O-N 2.82Å; C63-A65 VanDerWaalsContact C-N 3.29Å; C63-A65 PolarHBondContact O-N 3.13Å; A65-S67 VanDerWaalsContact C-N 3.33Å; A65-L99 HydrophobicContact CB-CD1 4.16Å; A65-L99 WeakPolarHBondContact O-CD1 3.34Å | ||
| 66 | T | 93.6 | Very high | 93.6 | Very high | 108 Ų | 108 | 36.6 Ų | 36.6 | 66% | 0.663 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -79.1 | -14.3 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 114 | N64 P100 | N64-T66 PolarHBondContact O-N 2.95Å; T66-P100 VanDerWaalsContact O-CD 3.31Å; T66-P100 WeakPolarHBondContact O-CD 3.43Å |
| 67 | S | 95.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | trans | -173.5 | 162.5 | 178.3 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | A65 P100 N135 | A65-S67 VanDerWaalsContact C-N 3.33Å; S67-P100 CarbonylContact C-O 3.54Å; S67-P100 VanDerWaalsContact CA-O 3.24Å; S67-P100 WeakPolarHBondContact CA-O 3.33Å; S67-N135 PolarHBondContact O-ND2 2.97Å | ||
| 68 | I | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.9 | 168.9 | 60.7 | 175.5 | 0 | 0 | 0 | 111.5 | Y60 L70 L99 P100 M101 S102 N135 | Y60-I68 HydrophobicContact CD1-CG2 3.62Å; Y60-I68 HydrophobicContact CD2-CD1 4.3Å; Y60-I68 HydrophobicContact CD2-CG2 3.73Å; Y60-I68 HydrophobicContact CE1-CG2 3.7Å; Y60-I68 HydrophobicContact CE2-CD1 4.36Å; Y60-I68 HydrophobicContact CE2-CG2 3.79Å; Y60-I68 HydrophobicContact CG-CG2 3.64Å; I68-L70 HydrophobicContact CD1-CD2 3.84Å; I68-L70 HydrophobicContact CG1-CD2 4.35Å; I68-L99 HydrophobicContact CD1-CD2 4.25Å; I68-L99 HydrophobicContact CG2-CD1 4.25Å; I68-P100 PolarHBondContact N-O 3.41Å; I68-M101 HydrophobicContact CD1-CG 3.98Å; I68-M101 HydrophobicContact CD1-SD 4.04Å; I68-M101 HydrophobicContact CG1-CB 4.32Å; I68-M101 HydrophobicContact CG1-CG 3.74Å; I68-M101 HydrophobicContact CG1-SD 4.46Å; I68-M101 WeakPolarHBondContact O-CA 3.14Å; I68-S102 PolarHBondContact O-N 3.37Å; I68-N135 HydrophobicContact CG2-CB 4.24Å |
| 69 | T | 96.6 | Very high | 93 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.4 | 173.8 | -68.1 | 0 | 0 | 0 | 0 | 109.5 | M71 S102 E104 N135 V136 L137 | T69-M71 PolarHBondContact O-N 2.79Å; T69-S102 WeakPolarHBondContact CB-OG 3.39Å; T69-S102 WeakPolarHBondContact CG2-OG 3.49Å; T69-S102 PolarHBondContact OG1-OG 2.92Å; T69-E104 HydrophobicContact CG2-CB 4.13Å; T69-E104 HydrophobicContact CG2-CG 3.39Å; T69-N135 PolarHBondContact N-O 3.45Å; T69-V136 CarbonylContact O-C 3.5Å; T69-V136 WeakPolarHBondContact O-CA 3.43Å; T69-L137 PolarHBondContact O-N 3.49Å |
| 70 | L | 97.2 | Very high | 93 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 100.7 | -179.1 | -55.2 | 178.3 | 0 | 0 | 0 | 109.4 | I68 L81 V85 L88 M101 S102 V103 E104 L137 | I68-L70 HydrophobicContact CD1-CD2 3.84Å; I68-L70 HydrophobicContact CG1-CD2 4.35Å; L70-L81 HydrophobicContact CB-CD1 3.75Å; L70-L81 HydrophobicContact CD1-CD1 4.23Å; L70-V85 HydrophobicContact CD1-CG2 3.56Å; L70-L88 HydrophobicContact CD1-CD1 4.12Å; L70-L88 HydrophobicContact CD2-CD1 4.05Å; L70-M101 HydrophobicContact CD1-CB 4.44Å; L70-M101 HydrophobicContact CD1-SD 4.24Å; L70-S102 PolarHBondContact N-O 2.96Å; L70-V103 HydrophobicContact CB-CG2 4.44Å; L70-V103 HydrophobicContact CD1-CG2 4.43Å; L70-V103 WeakPolarHBondContact O-CA 3.43Å; L70-E104 PolarHBondContact O-N 2.86Å; L70-L137 CarbonylContact C-O 3.6Å; L70-L137 WeakPolarHBondContact CA-O 3.48Å; L70-L137 HydrophobicContact CD2-CB 4.05Å; L70-L137 HydrophobicContact CD2-CD2 3.87Å; L70-L137 HydrophobicContact CD2-CG 4.41Å |
| 71 | M | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 100.7 | -178.4 | -179.3 | 171 | -72.8 | 0 | 0 | 110.9 | T69 E104 V106 L125 Y131 V136 L137 V138 V139 L152 L156 | T69-M71 PolarHBondContact O-N 2.79Å; M71-E104 CarbonylContact C-O 3.59Å; M71-E104 WeakPolarHBondContact CA-O 3.46Å; M71-E104 HydrophobicContact CB-CB 4.37Å; M71-E104 HydrophobicContact CE-CB 4.24Å; M71-E104 HydrophobicContact CG-CB 4.46Å; M71-V106 HydrophobicContact CG-CB 4.31Å; M71-V106 HydrophobicContact CG-CG1 3.75Å; M71-V106 HydrophobicContact SD-CB 4.19Å; M71-V106 HydrophobicContact SD-CG1 3.88Å; M71-L125 HydrophobicContact CE-CD2 3.43Å; M71-L125 VanDerWaalsContact CE-CD2 3.43Å; M71-L125 HydrophobicContact SD-CD2 3.87Å; M71-Y131 HydrophobicContact CE-CD1 4.02Å; M71-Y131 HydrophobicContact CE-CE1 3.36Å; M71-V136 HydrophobicContact CB-CG1 3.89Å; M71-L137 PolarHBondContact N-O 3.23Å; M71-V138 CarbonylContact O-C 3.55Å; M71-V138 WeakPolarHBondContact O-CA 3.3Å; M71-V139 PolarHBondContact O-N 3.1Å; M71-L152 HydrophobicContact SD-CD1 4.02Å; M71-L152 HydrophobicContact SD-CD2 4.36Å; M71-L156 HydrophobicContact CE-CD2 3.94Å; M71-L156 HydrophobicContact SD-CD1 4.12Å; M71-L156 HydrophobicContact SD-CD2 4.13Å |
| 72 | C | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.3 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | F78 L81 E104 F105 V106 | C72-F78 WeakPolarHBondContact SG-CA 3.28Å; C72-F78 PolarHBondContact SG-N 3.34Å; C72-F78 VanDerWaalsContact SG-N 3.42Å; C72-L81 HydrophobicContact CB-CB 4.07Å; C72-L81 HydrophobicContact CB-CD1 4.38Å; C72-L81 HydrophobicContact CB-CD2 3.52Å; C72-L81 HydrophobicContact CB-CG 4.16Å; C72-E104 PolarHBondContact N-O 2.61Å; C72-F105 HydrophobicContact CB-CD1 3.81Å; C72-F105 HydrophobicContact CB-CE1 3.95Å; C72-V106 PolarHBondContact O-N 3.39Å |
| 73 | V | 92.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 112.1 | 170.9 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | G77 V106 V108 V138 V139 E140 T148 L152 | V73-G77 PolarHBondContact O-N 2.86Å; V73-V106 CarbonylContact C-O 3.58Å; V73-V106 WeakPolarHBondContact CA-O 3.43Å; V73-V106 HydrophobicContact CG2-CG1 3.97Å; V73-V108 HydrophobicContact CG1-CB 4.5Å; V73-V108 HydrophobicContact CG1-CG2 3.97Å; V73-V138 HydrophobicContact CG2-CG1 3.73Å; V73-V139 PolarHBondContact N-O 2.76Å; V73-E140 VanDerWaalsContact CG1-OE1 3.27Å; V73-E140 WeakPolarHBondContact CG1-OE1 3.46Å; V73-E140 HydrophobicContact CG2-CB 4.47Å; V73-T148 HydrophobicContact CG1-CG2 4.35Å; V73-L152 HydrophobicContact CG2-CD2 3.8Å |
| 74 | L | 91.8 | Very high | 93.4 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 29% | 0.288 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 138.1 | -178.3 | -70.8 | -177.5 | 0 | 0 | 0 | 112.1 | F78 F105 V106 R107 | L74-F78 HydrophobicContact CD2-CB 3.78Å; L74-F105 HydrophobicContact CD1-CB 3.85Å; L74-F105 HydrophobicContact CD1-CD1 4.01Å; L74-F105 HydrophobicContact CD1-CG 4.23Å; L74-F105 HydrophobicContact CD2-CD1 3.87Å; L74-F105 HydrophobicContact CD2-CE1 4.37Å; L74-F105 HydrophobicContact CG-CB 4.31Å; L74-F105 HydrophobicContact CG-CD1 3.95Å; L74-V106 PolarHBondContact N-O 3.08Å; L74-R107 HydrophobicContact CB-CB 4.26Å |
| 75 | K | 86.4 | Confident | 93.6 | Very high | 112 Ų | 112 | 28.3 Ų | 28.3 | 49% | 0.487 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -100.8 | -29.3 | 14.4 | -65.1 | -169.8 | -179.7 | -173.9 | 0 | 116 | G77 F78 V213 | K75-G77 PolarHBondContact O-N 3.48Å; K75-F78 WeakPolarHBondContact O-CD1 3.49Å; K75-F78 PolarHBondContact O-N 3.49Å; K75-V213 HydrophobicContact CB-CG2 4.39Å; K75-V213 HydrophobicContact CD-CG1 3.87Å; K75-V213 HydrophobicContact CD-CG2 3.8Å |
| 76 | G | 84.1 | Confident | 93.7 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 36% | 0.361 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -40.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F78 D141 | G76-F78 PolarHBondContact O-N 2.82Å; G76-D141 VanDerWaalsContact C-CG 3.48Å; G76-D141 VanDerWaalsContact CA-CG 3.48Å; G76-D141 WeakPolarHBondContact CA-OD1 3.2Å |
| 77 | G | 88 | Confident | 93.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -13.8 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | V73 K75 K79 F80 L81 D141 | V73-G77 PolarHBondContact O-N 2.86Å; K75-G77 PolarHBondContact O-N 3.48Å; G77-K79 PolarHBondContact O-N 2.91Å; G77-F80 PolarHBondContact O-N 2.91Å; G77-L81 WeakPolarHBondContact O-CB 3.44Å; G77-L81 PolarHBondContact O-N 2.93Å; G77-D141 PolarHBondContact N-OD1 2.58Å |
| 78 | F | 92.4 | Very high | 94 | Very high | 81 Ų | 81 | 25 Ų | 25 | 36% | 0.355 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.2 | -35.1 | -167.7 | 101.9 | -94.3 | 0 | 0 | 0 | 114.4 | C72 L74 K75 G76 A82 T211 | C72-F78 WeakPolarHBondContact SG-CA 3.28Å; C72-F78 PolarHBondContact SG-N 3.34Å; C72-F78 VanDerWaalsContact SG-N 3.42Å; L74-F78 HydrophobicContact CD2-CB 3.78Å; K75-F78 WeakPolarHBondContact O-CD1 3.49Å; K75-F78 PolarHBondContact O-N 3.49Å; G76-F78 PolarHBondContact O-N 2.82Å; F78-A82 PolarHBondContact O-N 3.07Å; F78-A82 VanDerWaalsContact O-N 3.1Å; F78-T211 HydrophobicContact CE1-CG2 4.38Å; F78-T211 WeakPolarHBondContact CE1-OG1 3.18Å; F78-T211 HydrophobicContact CE2-CG2 4.44Å; F78-T211 VanDerWaalsContact CZ-CB 3.44Å; F78-T211 HydrophobicContact CZ-CG2 3.64Å; F78-T211 VanDerWaalsContact CZ-OG1 3.24Å; F78-T211 WeakPolarHBondContact CZ-OG1 3.43Å |
| 79 | K | 89.8 | Confident | 94 | Very high | 44 Ų | 44 | 30.5 Ų | 30.5 | 19% | 0.191 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -79 | -36.4 | 178.3 | -178.9 | 56.8 | -170.2 | 150.3 | 0 | 111.8 | G77 L81 A82 D83 I209 T211 Y225 | G77-K79 PolarHBondContact O-N 2.91Å; K79-L81 VanDerWaalsContact C-N 3.35Å; K79-A82 PolarHBondContact O-N 3.39Å; K79-D83 WeakPolarHBondContact CE-OD1 3.33Å; K79-D83 WeakPolarHBondContact CE-OD2 3.46Å; K79-D83 VanDerWaalsContact NZ-CG 3.31Å; K79-D83 IonicContact NZ-OD1 2.62Å; K79-D83 PolarHBondContact NZ-OD1 2.85Å; K79-D83 IonicContact NZ-OD2 3.18Å; K79-D83 PolarHBondContact NZ-OD2 2.86Å; K79-D83 PolarHBondContact O-N 2.9Å; K79-I209 HydrophobicContact CB-CG2 3.62Å; K79-I209 HydrophobicContact CG-CG2 3.28Å; K79-T211 WeakPolarHBondContact CB-OG1 3.5Å; K79-Y225 VanDerWaalsContact CE-OH 3.24Å; K79-Y225 WeakPolarHBondContact CE-OH 3.29Å |
| 80 | F | 94.1 | Very high | 94 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 170.5 | 172.5 | -138.1 | 0 | 0 | 0 | 111.2 | L49 M52 G77 A82 L84 V139 E140 A167 L169 I186 | L49-F80 HydrophobicContact CD1-CD2 3.87Å; L49-F80 HydrophobicContact CD1-CE2 3.95Å; M52-F80 HydrophobicContact SD-CE2 4.24Å; M52-F80 HydrophobicContact SD-CZ 3.86Å; G77-F80 PolarHBondContact O-N 2.91Å; F80-A82 PolarHBondContact O-N 3.03Å; F80-L84 HydrophobicContact CD2-CB 4.43Å; F80-L84 HydrophobicContact CE2-CB 4.22Å; F80-L84 HydrophobicContact CE2-CD1 4.49Å; F80-L84 HydrophobicContact CE2-CD2 4.36Å; F80-L84 HydrophobicContact CZ-CD2 4.22Å; F80-L84 WeakPolarHBondContact O-CB 3.3Å; F80-L84 PolarHBondContact O-N 3.44Å; F80-V139 HydrophobicContact CD1-CG1 3.46Å; F80-V139 VanDerWaalsContact CD1-CG1 3.46Å; F80-V139 HydrophobicContact CE1-CG1 3.6Å; F80-V139 HydrophobicContact CG-CG1 4.14Å; F80-V139 HydrophobicContact CZ-CG1 4.38Å; F80-E140 WeakPolarHBondContact CD1-O 3.34Å; F80-A167 HydrophobicContact CE1-CB 4.39Å; F80-A167 HydrophobicContact CZ-CB 4.22Å; F80-L169 HydrophobicContact CD1-CB 3.93Å; F80-L169 HydrophobicContact CD2-CB 4.36Å; F80-L169 HydrophobicContact CE1-CB 4.2Å; F80-L169 VanDerWaalsContact CE1-N 3.3Å; F80-L169 HydrophobicContact CG-CB 4.03Å; F80-I186 HydrophobicContact CD2-CD1 4.14Å; F80-I186 HydrophobicContact CE2-CD1 3.49Å; F80-I186 VanDerWaalsContact CE2-CD1 3.49Å; F80-I186 HydrophobicContact CE2-CG1 4.42Å; F80-I186 HydrophobicContact CZ-CD1 4.11Å |
| 81 | L | 96 | Very high | 94 | Very high | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.9 | -51.1 | 169.9 | 172.8 | 75.4 | 0 | 0 | 0 | 111.4 | L70 C72 G77 K79 L84 V85 V103 F105 V139 | L70-L81 HydrophobicContact CB-CD1 3.75Å; L70-L81 HydrophobicContact CD1-CD1 4.23Å; C72-L81 HydrophobicContact CB-CB 4.07Å; C72-L81 HydrophobicContact CB-CD1 4.38Å; C72-L81 HydrophobicContact CB-CD2 3.52Å; C72-L81 HydrophobicContact CB-CG 4.16Å; G77-L81 WeakPolarHBondContact O-CB 3.44Å; G77-L81 PolarHBondContact O-N 2.93Å; K79-L81 VanDerWaalsContact C-N 3.35Å; L81-L84 PolarHBondContact O-N 2.86Å; L81-V85 HydrophobicContact CD1-CG2 4.13Å; L81-V85 HydrophobicContact CG-CG2 4.36Å; L81-V85 WeakPolarHBondContact O-CG2 3.28Å; L81-V85 PolarHBondContact O-N 3.23Å; L81-V103 HydrophobicContact CD2-CG1 3.53Å; L81-F105 HydrophobicContact CD2-CE1 3.75Å; L81-F105 HydrophobicContact CD2-CZ 4.03Å; L81-V139 HydrophobicContact CB-CG1 4.1Å; L81-V139 HydrophobicContact CD1-CB 4.47Å; L81-V139 HydrophobicContact CD1-CG2 4.13Å |
| 82 | A | 95.9 | Very high | 94 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 33% | 0.331 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.6 | -49.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F78 K79 F80 L84 V85 D86 | F78-A82 PolarHBondContact O-N 3.07Å; F78-A82 VanDerWaalsContact O-N 3.1Å; K79-A82 PolarHBondContact O-N 3.39Å; F80-A82 PolarHBondContact O-N 3.03Å; A82-L84 VanDerWaalsContact C-N 3.27Å; A82-L84 PolarHBondContact O-N 2.69Å; A82-V85 PolarHBondContact O-N 3.2Å; A82-D86 PolarHBondContact O-N 3.48Å; A82-D86 VanDerWaalsContact O-N 3.1Å |
| 83 | D | 95.1 | Very high | 94 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -35.3 | 176.6 | -67.5 | -33.6 | 0 | 0 | 0 | 111.6 | L49 K79 G87 | L49-D83 HydrophobicContact CD1-CB 3.61Å; L49-D83 VanDerWaalsContact CD2-O 3.28Å; L49-D83 WeakPolarHBondContact CD2-O 3.48Å; K79-D83 WeakPolarHBondContact CE-OD1 3.33Å; K79-D83 WeakPolarHBondContact CE-OD2 3.46Å; K79-D83 VanDerWaalsContact NZ-CG 3.31Å; K79-D83 IonicContact NZ-OD1 2.62Å; K79-D83 PolarHBondContact NZ-OD1 2.85Å; K79-D83 IonicContact NZ-OD2 3.18Å; K79-D83 PolarHBondContact NZ-OD2 2.86Å; K79-D83 PolarHBondContact O-N 2.9Å; D83-G87 PolarHBondContact O-N 2.89Å |
| 84 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 177.3 | -177.5 | 65.2 | 0 | 0 | 0 | 112.3 | M52 I56 F80 L81 A82 G87 L88 V139 A167 | M52-L84 HydrophobicContact CG-CD1 4.32Å; M52-L84 HydrophobicContact SD-CD1 4.33Å; I56-L84 HydrophobicContact CD1-CD1 3.94Å; F80-L84 HydrophobicContact CD2-CB 4.43Å; F80-L84 HydrophobicContact CE2-CB 4.22Å; F80-L84 HydrophobicContact CE2-CD1 4.49Å; F80-L84 HydrophobicContact CE2-CD2 4.36Å; F80-L84 HydrophobicContact CZ-CD2 4.22Å; F80-L84 WeakPolarHBondContact O-CB 3.3Å; F80-L84 PolarHBondContact O-N 3.44Å; L81-L84 PolarHBondContact O-N 2.86Å; A82-L84 VanDerWaalsContact C-N 3.27Å; A82-L84 PolarHBondContact O-N 2.69Å; L84-G87 PolarHBondContact O-N 2.8Å; L84-L88 HydrophobicContact CD1-CD1 4.47Å; L84-L88 HydrophobicContact CD1-CG 4.37Å; L84-L88 HydrophobicContact CG-CD1 4.01Å; L84-L88 HydrophobicContact CG-CG 4.34Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 VanDerWaalsContact O-CG 3.23Å; L84-L88 WeakPolarHBondContact O-CG 2.92Å; L84-L88 PolarHBondContact O-N 2.94Å; L84-V139 HydrophobicContact CD2-CG1 4.17Å; L84-V139 HydrophobicContact CD2-CG2 3.97Å; L84-A167 HydrophobicContact CD2-CB 4.26Å |
| 85 | V | 97.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 16% | 0.164 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 172.9 | 168.7 | 0 | 0 | 0 | 0 | 109.9 | L70 L81 A82 G87 L88 E89 | L70-V85 HydrophobicContact CD1-CG2 3.56Å; L81-V85 HydrophobicContact CD1-CG2 4.13Å; L81-V85 HydrophobicContact CG-CG2 4.36Å; L81-V85 WeakPolarHBondContact O-CG2 3.28Å; L81-V85 PolarHBondContact O-N 3.23Å; A82-V85 PolarHBondContact O-N 3.2Å; V85-G87 PolarHBondContact O-N 2.84Å; V85-L88 PolarHBondContact O-N 2.92Å; V85-L88 VanDerWaalsContact O-N 3.08Å; V85-E89 HydrophobicContact CG1-CG 4.29Å; V85-E89 PolarHBondContact O-N 3.18Å |
| 86 | D | 97 | Very high | 94.7 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.7 | -36.1 | 175.7 | -70.5 | -13.8 | 0 | 0 | 0 | 111.9 | A82 R90 | A82-D86 PolarHBondContact O-N 3.48Å; A82-D86 VanDerWaalsContact O-N 3.1Å; D86-R90 WeakPolarHBondContact O-CB 3.12Å; D86-R90 WeakPolarHBondContact O-CD 3.46Å; D86-R90 WeakPolarHBondContact O-CG 3.08Å; D86-R90 PolarHBondContact O-N 3.27Å; D86-R90 PolarHBondContact O-NE 3.45Å |
| 87 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.6 | -42.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | S53 D83 L84 V85 T91 | S53-G87 WeakPolarHBondContact CB-O 3.43Å; S53-G87 VanDerWaalsContact OG-CA 3.31Å; S53-G87 WeakPolarHBondContact OG-CA 3.44Å; D83-G87 PolarHBondContact O-N 2.89Å; L84-G87 PolarHBondContact O-N 2.8Å; V85-G87 PolarHBondContact O-N 2.84Å; G87-T91 WeakPolarHBondContact O-CB 3.47Å; G87-T91 PolarHBondContact O-N 3.22Å; G87-T91 PolarHBondContact O-OG1 3.21Å |
| 88 | L | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 179.3 | -71.5 | 170.1 | 0 | 0 | 0 | 111.2 | S53 I56 V57 L70 L84 V85 R90 T91 V92 M101 | S53-L88 PolarHBondContact OG-N 3.26Å; I56-L88 HydrophobicContact CB-CD2 3.99Å; I56-L88 HydrophobicContact CG2-CD2 3.7Å; V57-L88 HydrophobicContact CG2-CD2 3.83Å; L70-L88 HydrophobicContact CD1-CD1 4.12Å; L70-L88 HydrophobicContact CD2-CD1 4.05Å; L84-L88 HydrophobicContact CD1-CD1 4.47Å; L84-L88 HydrophobicContact CD1-CG 4.37Å; L84-L88 HydrophobicContact CG-CD1 4.01Å; L84-L88 HydrophobicContact CG-CG 4.34Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 VanDerWaalsContact O-CG 3.23Å; L84-L88 WeakPolarHBondContact O-CG 2.92Å; L84-L88 PolarHBondContact O-N 2.94Å; V85-L88 PolarHBondContact O-N 2.92Å; V85-L88 VanDerWaalsContact O-N 3.08Å; L88-R90 PolarHBondContact O-N 2.9Å; L88-T91 WeakPolarHBondContact O-CB 3.37Å; L88-T91 PolarHBondContact O-N 3.05Å; L88-V92 WeakPolarHBondContact O-CB 3.4Å; L88-V92 VanDerWaalsContact O-CG2 3.31Å; L88-V92 WeakPolarHBondContact O-CG2 3.44Å; L88-V92 PolarHBondContact O-N 3.37Å; L88-M101 HydrophobicContact CB-CE 3.96Å; L88-M101 HydrophobicContact CB-SD 3.73Å; L88-M101 HydrophobicContact CD1-SD 3.94Å; L88-M101 HydrophobicContact CG-SD 4.43Å |
| 89 | E | 97 | Very high | 95.6 | Very high | 116 Ų | 116 | 55.8 Ų | 55.8 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 177.8 | -72.3 | -167 | 178.4 | 0 | 0 | 112.1 | V85 T91 V92 R93 M101 | V85-E89 HydrophobicContact CG1-CG 4.29Å; V85-E89 PolarHBondContact O-N 3.18Å; E89-T91 VanDerWaalsContact C-N 3.31Å; E89-T91 PolarHBondContact O-N 3.22Å; E89-V92 PolarHBondContact O-N 3.1Å; E89-R93 WeakPolarHBondContact O-CB 3.08Å; E89-R93 PolarHBondContact O-N 3.3Å; E89-M101 HydrophobicContact CB-CE 4.42Å; E89-M101 HydrophobicContact CG-CE 3.45Å; E89-M101 VanDerWaalsContact CG-CE 3.45Å |
| 90 | R | 97.2 | Very high | 95.9 | Very high | 125 Ų | 125 | 57 Ų | 57 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 175.2 | -71 | 179 | -52 | 119.4 | 1.2 | 111.7 | E50 D86 L88 A94 | E50-R90 IonicContact OE1-CZ 3.45Å; E50-R90 VanDerWaalsContact OE1-CZ 3.3Å; E50-R90 IonicContact OE1-NH1 3.83Å; E50-R90 PolarHBondContact OE1-NH1 3.37Å; E50-R90 IonicContact OE1-NH2 2.58Å; E50-R90 PolarHBondContact OE1-NH2 3.48Å; D86-R90 WeakPolarHBondContact O-CB 3.12Å; D86-R90 WeakPolarHBondContact O-CD 3.46Å; D86-R90 WeakPolarHBondContact O-CG 3.08Å; D86-R90 PolarHBondContact O-N 3.27Å; D86-R90 PolarHBondContact O-NE 3.45Å; L88-R90 PolarHBondContact O-N 2.9Å; R90-A94 WeakPolarHBondContact O-CB 3.28Å; R90-A94 PolarHBondContact O-N 3.11Å |
| 91 | T | 96.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -51.8 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | M54 V57 G87 L88 E89 R93 A94 R95 | M54-T91 HydrophobicContact CG-CG2 4.29Å; V57-T91 HydrophobicContact CB-CG2 3.77Å; V57-T91 HydrophobicContact CG1-CG2 3.93Å; V57-T91 HydrophobicContact CG2-CG2 3.77Å; G87-T91 WeakPolarHBondContact O-CB 3.47Å; G87-T91 PolarHBondContact O-N 3.22Å; G87-T91 PolarHBondContact O-OG1 3.21Å; L88-T91 WeakPolarHBondContact O-CB 3.37Å; L88-T91 PolarHBondContact O-N 3.05Å; E89-T91 VanDerWaalsContact C-N 3.31Å; E89-T91 PolarHBondContact O-N 3.22Å; T91-R93 VanDerWaalsContact C-N 3.33Å; T91-R93 PolarHBondContact O-N 3.24Å; T91-A94 PolarHBondContact O-N 2.86Å; T91-R95 HydrophobicContact CG2-CG 4.47Å; T91-R95 WeakPolarHBondContact O-CB 3.34Å; T91-R95 WeakPolarHBondContact O-CG 3.45Å; T91-R95 PolarHBondContact O-N 2.82Å |
| 92 | V | 96.7 | Very high | 96.1 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.1 | -47.6 | 178.1 | 166.4 | 0 | 0 | 0 | 0 | 110.7 | V57 L88 E89 R95 G96 I97 L99 | V57-V92 HydrophobicContact CG2-CG2 3.93Å; L88-V92 WeakPolarHBondContact O-CB 3.4Å; L88-V92 VanDerWaalsContact O-CG2 3.31Å; L88-V92 WeakPolarHBondContact O-CG2 3.44Å; L88-V92 PolarHBondContact O-N 3.37Å; E89-V92 PolarHBondContact O-N 3.1Å; V92-R95 PolarHBondContact O-N 2.97Å; V92-G96 PolarHBondContact O-N 3.31Å; V92-I97 HydrophobicContact CB-CG1 4.36Å; V92-I97 HydrophobicContact CG1-CG1 4.02Å; V92-I97 WeakPolarHBondContact CG1-O 3.09Å; V92-I97 HydrophobicContact CG2-CD1 4.34Å; V92-I97 HydrophobicContact CG2-CG1 4.32Å; V92-I97 PolarHBondContact O-N 3.25Å; V92-L99 HydrophobicContact CG2-CB 4.18Å; V92-L99 HydrophobicContact CG2-CD2 4.46Å |
| 93 | R | 96.1 | Very high | 96.1 | Very high | 219 Ų | 219 | 62.3 Ų | 62.3 | 83% | 0.826 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 177.2 | -177.4 | -178.3 | 176.9 | 117.1 | 2.5 | 112.7 | E89 T91 R95 G96 | E89-R93 WeakPolarHBondContact O-CB 3.08Å; E89-R93 PolarHBondContact O-N 3.3Å; T91-R93 VanDerWaalsContact C-N 3.33Å; T91-R93 PolarHBondContact O-N 3.24Å; R93-R95 VanDerWaalsContact C-N 3.32Å; R93-G96 PolarHBondContact O-N 3.06Å |
| 94 | A | 96.1 | Very high | 96 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 74% | 0.736 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.7 | -30.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R90 T91 | R90-A94 WeakPolarHBondContact O-CB 3.28Å; R90-A94 PolarHBondContact O-N 3.11Å; T91-A94 PolarHBondContact O-N 2.86Å |
| 95 | R | 94.5 | Very high | 95.9 | Very high | 101 Ų | 101 | 68.5 Ų | 68.5 | 38% | 0.381 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -87.6 | -11.1 | 177.3 | -63.1 | -164 | 66.8 | -142.3 | -29.2 | 114 | D58 E61 T91 V92 R93 I97 | D58-R95 IonicContact OD1-CZ 3.3Å; D58-R95 IonicContact OD1-NH1 3.27Å; D58-R95 PolarHBondContact OD1-NH1 2.87Å; E61-R95 IonicContact OE1-CZ 2.77Å; E61-R95 IonicContact OE1-NH1 2.78Å; E61-R95 IonicContact OE1-NH2 3.61Å; E61-R95 PolarHBondContact OE1-NH2 2.82Å; E61-R95 IonicContact OE2-CZ 3.69Å; E61-R95 IonicContact OE2-NH1 2.73Å; E61-R95 PolarHBondContact OE2-NH1 3.06Å; E61-R95 IonicContact OE2-NH2 3.17Å; E61-R95 PolarHBondContact OE2-NH2 3Å; T91-R95 HydrophobicContact CG2-CG 4.47Å; T91-R95 WeakPolarHBondContact O-CB 3.34Å; T91-R95 WeakPolarHBondContact O-CG 3.45Å; T91-R95 PolarHBondContact O-N 2.82Å; V92-R95 PolarHBondContact O-N 2.97Å; R93-R95 VanDerWaalsContact C-N 3.32Å; R95-I97 VanDerWaalsContact C-N 3.29Å; R95-I97 HydrophobicContact CB-CG2 4.18Å; R95-I97 PolarHBondContact O-N 3.01Å |
| 96 | G | 94.5 | Very high | 95.7 | Very high | 68 Ų | 68 | 67.2 Ų | 67.2 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 18.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V92 R93 | V92-G96 PolarHBondContact O-N 3.31Å; R93-G96 PolarHBondContact O-N 3.06Å |
| 97 | I | 93.8 | Very high | 95.4 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.2 | 36% | 0.357 | C | S | . | . | trans | -91.3 | 161.5 | -176.5 | 70.4 | 174.5 | 0 | 0 | 0 | 111.9 | V57 V92 R95 L99 | V57-I97 HydrophobicContact CG1-CD1 3.48Å; V57-I97 VanDerWaalsContact CG1-CD1 3.48Å; V92-I97 HydrophobicContact CB-CG1 4.36Å; V92-I97 HydrophobicContact CG1-CG1 4.02Å; V92-I97 WeakPolarHBondContact CG1-O 3.09Å; V92-I97 HydrophobicContact CG2-CD1 4.34Å; V92-I97 HydrophobicContact CG2-CG1 4.32Å; V92-I97 PolarHBondContact O-N 3.25Å; R95-I97 VanDerWaalsContact C-N 3.29Å; R95-I97 HydrophobicContact CB-CG2 4.18Å; R95-I97 PolarHBondContact O-N 3.01Å; I97-L99 HydrophobicContact CD1-CB 4.37Å | ||
| 98 | V | 93.8 | Very high | 94.8 | Very high | 133 Ų | 133 | 69.7 Ų | 69.7 | 81% | 0.806 | 36% | 0.362 | S | S | * | . | trans | -106.3 | 99.3 | 174 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | P100 | V98-P100 HydrophobicContact CG1-CG 4.45Š| ||
| 99 | L | 95.8 | Very high | 93.9 | Very high | 13 Ų | 13 | 73.5 Ų | 73.5 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | trans | -128.6 | 87.6 | 175.6 | -172.8 | 63.7 | 0 | 0 | 0 | 110.2 | A65 I68 V92 I97 | A65-L99 HydrophobicContact CB-CD1 4.16Å; A65-L99 WeakPolarHBondContact O-CD1 3.34Å; I68-L99 HydrophobicContact CD1-CD2 4.25Å; I68-L99 HydrophobicContact CG2-CD1 4.25Å; V92-L99 HydrophobicContact CG2-CB 4.18Å; V92-L99 HydrophobicContact CG2-CD2 4.46Å; I97-L99 HydrophobicContact CD1-CB 4.37Å | ||
| 100 | P | 96.2 | Very high | 92.4 | Very high | 68 Ų | 68 | 69.6 Ų | 69.6 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | trans | -60.1 | 134 | 176.7 | -22.9 | 33.7 | 0 | 0 | 0 | 112.1 | T66 S67 I68 V98 | T66-P100 VanDerWaalsContact O-CD 3.31Å; T66-P100 WeakPolarHBondContact O-CD 3.43Å; S67-P100 CarbonylContact C-O 3.54Å; S67-P100 VanDerWaalsContact CA-O 3.24Å; S67-P100 WeakPolarHBondContact CA-O 3.33Å; I68-P100 PolarHBondContact N-O 3.41Å; V98-P100 HydrophobicContact CG1-CG 4.45Å | ||
| 101 | M | 97.1 | Very high | 90.4 | Very high | 58 Ų | 58 | 69.5 Ų | 69.5 | 29% | 0.286 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.6 | -179.3 | -57.1 | -169.9 | -78.9 | 0 | 0 | 110.3 | I68 L70 L88 E89 | I68-M101 HydrophobicContact CD1-CG 3.98Å; I68-M101 HydrophobicContact CD1-SD 4.04Å; I68-M101 HydrophobicContact CG1-CB 4.32Å; I68-M101 HydrophobicContact CG1-CG 3.74Å; I68-M101 HydrophobicContact CG1-SD 4.46Å; I68-M101 WeakPolarHBondContact O-CA 3.14Å; L70-M101 HydrophobicContact CD1-CB 4.44Å; L70-M101 HydrophobicContact CD1-SD 4.24Å; L88-M101 HydrophobicContact CB-CE 3.96Å; L88-M101 HydrophobicContact CB-SD 3.73Å; L88-M101 HydrophobicContact CD1-SD 3.94Å; L88-M101 HydrophobicContact CG-SD 4.43Å; E89-M101 HydrophobicContact CB-CE 4.42Å; E89-M101 HydrophobicContact CG-CE 3.45Å; E89-M101 VanDerWaalsContact CG-CE 3.45Å |
| 102 | S | 95.8 | Very high | 88.6 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 158.6 | 164.5 | 81.1 | 0 | 0 | 0 | 0 | 110.3 | I68 T69 L70 | I68-S102 PolarHBondContact O-N 3.37Å; T69-S102 WeakPolarHBondContact CB-OG 3.39Å; T69-S102 WeakPolarHBondContact CG2-OG 3.49Å; T69-S102 PolarHBondContact OG1-OG 2.92Å; L70-S102 PolarHBondContact N-O 2.96Å |
| 103 | V | 95.7 | Very high | 86.5 | Confident | 61 Ų | 61 | 78 Ų | 78 | 37% | 0.37 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.8 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | L70 L81 F105 | L70-V103 HydrophobicContact CB-CG2 4.44Å; L70-V103 HydrophobicContact CD1-CG2 4.43Å; L70-V103 WeakPolarHBondContact O-CA 3.43Å; L81-V103 HydrophobicContact CD2-CG1 3.53Å; V103-F105 HydrophobicContact CG1-CD2 4.41Å; V103-F105 HydrophobicContact CG1-CE1 4.24Å; V103-F105 HydrophobicContact CG1-CE2 3.69Å; V103-F105 HydrophobicContact CG1-CZ 3.59Å |
| 104 | E | 94.4 | Very high | 84.6 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154.7 | 177.8 | -68.4 | -61.1 | 156 | 0 | 0 | 110.6 | T69 L70 M71 C72 Y131 | T69-E104 HydrophobicContact CG2-CB 4.13Å; T69-E104 HydrophobicContact CG2-CG 3.39Å; L70-E104 PolarHBondContact O-N 2.86Å; M71-E104 CarbonylContact C-O 3.59Å; M71-E104 WeakPolarHBondContact CA-O 3.46Å; M71-E104 HydrophobicContact CB-CB 4.37Å; M71-E104 HydrophobicContact CE-CB 4.24Å; M71-E104 HydrophobicContact CG-CB 4.46Å; C72-E104 PolarHBondContact N-O 2.61Å; E104-Y131 HydrophobicContact CG-CE1 4.35Å |
| 105 | F | 94.4 | Very high | 82.4 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 106.5 | -176.6 | -67.3 | -75.4 | 0 | 0 | 0 | 112.2 | C72 L74 L81 V103 | C72-F105 HydrophobicContact CB-CD1 3.81Å; C72-F105 HydrophobicContact CB-CE1 3.95Å; L74-F105 HydrophobicContact CD1-CB 3.85Å; L74-F105 HydrophobicContact CD1-CD1 4.01Å; L74-F105 HydrophobicContact CD1-CG 4.23Å; L74-F105 HydrophobicContact CD2-CD1 3.87Å; L74-F105 HydrophobicContact CD2-CE1 4.37Å; L74-F105 HydrophobicContact CG-CB 4.31Å; L74-F105 HydrophobicContact CG-CD1 3.95Å; L81-F105 HydrophobicContact CD2-CE1 3.75Å; L81-F105 HydrophobicContact CD2-CZ 4.03Å; V103-F105 HydrophobicContact CG1-CD2 4.41Å; V103-F105 HydrophobicContact CG1-CE1 4.24Å; V103-F105 HydrophobicContact CG1-CE2 3.69Å; V103-F105 HydrophobicContact CG1-CZ 3.59Å |
| 106 | V | 93.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.4 | 171.1 | 65.4 | 0 | 0 | 0 | 0 | 109.9 | M71 C72 V73 L74 V108 L122 L125 L152 | M71-V106 HydrophobicContact CG-CB 4.31Å; M71-V106 HydrophobicContact CG-CG1 3.75Å; M71-V106 HydrophobicContact SD-CB 4.19Å; M71-V106 HydrophobicContact SD-CG1 3.88Å; C72-V106 PolarHBondContact O-N 3.39Å; V73-V106 CarbonylContact C-O 3.58Å; V73-V106 WeakPolarHBondContact CA-O 3.43Å; V73-V106 HydrophobicContact CG2-CG1 3.97Å; L74-V106 PolarHBondContact N-O 3.08Å; V106-V108 HydrophobicContact CG2-CG2 4.5Å; V106-L122 HydrophobicContact CG2-CB 4.44Å; V106-L125 HydrophobicContact CB-CD2 3.85Å; V106-L125 HydrophobicContact CB-CG 4.37Å; V106-L125 HydrophobicContact CG2-CD1 4.29Å; V106-L125 HydrophobicContact CG2-CD2 3.88Å; V106-L125 HydrophobicContact CG2-CG 3.88Å; V106-L152 HydrophobicContact CG1-CD1 4.2Å; V106-L152 HydrophobicContact CG1-CD2 3.78Å; V106-L152 HydrophobicContact CG2-CD1 4.22Å |
| 107 | R | 90.2 | Very high | 79.3 | Confident | 123 Ų | 123 | 71.3 Ų | 71.3 | 46% | 0.464 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119 | 170.3 | 178.9 | -178 | 178.6 | -175.6 | -0.7 | 109.4 | L74 T123 | L74-R107 HydrophobicContact CB-CB 4.26Å; R107-T123 PolarHBondContact N-O 3.17Å; R107-T123 PolarHBondContact O-N 3.05Å; R107-T123 PolarHBondContact O-OG1 2.98Å |
| 108 | V | 84 | Confident | 78 | Confident | 20 Ų | 20 | 77.9 Ų | 77.9 | 12% | 0.121 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.8 | 172.4 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | V73 V106 P120 I121 L122 T148 | V73-V108 HydrophobicContact CG1-CB 4.5Å; V73-V108 HydrophobicContact CG1-CG2 3.97Å; V106-V108 HydrophobicContact CG2-CG2 4.5Å; V108-P120 HydrophobicContact CG1-CB 3.34Å; V108-I121 WeakPolarHBondContact CA-O 3.48Å; V108-L122 HydrophobicContact CB-CD2 4.49Å; V108-L122 HydrophobicContact CG1-CD2 4.22Å; V108-L122 HydrophobicContact CG2-CD2 3.63Å; V108-T148 HydrophobicContact CB-CG2 4.07Å; V108-T148 HydrophobicContact CG1-CG2 4.05Å; V108-T148 HydrophobicContact CG2-CG2 3.97Å |
| 109 | K | 77.8 | Confident | 76.9 | Confident | 81 Ų | 81 | 77.4 Ų | 77.4 | 35% | 0.352 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.2 | 171 | -60.8 | 177 | -172.2 | 170.8 | 0 | 109 | P120 I121 | K109-P120 WeakPolarHBondContact O-CA 3.42Å; K109-I121 HydrophobicContact CB-CB 4.48Å; K109-I121 PolarHBondContact N-O 3.07Å; K109-I121 PolarHBondContact O-N 2.95Å |
| 110 | S | 65.3 | Low | 75.9 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 25% | 0.245 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 6.1 | 174 | -47.7 | 0 | 0 | 0 | 0 | 113 | I117 | S110-I117 WeakPolarHBondContact O-CG1 3.34Å; S110-I117 PolarHBondContact O-N 3.38Å |
| 111 | Y | 56.7 | Low | 75.2 | Confident | 123 Ų | 123 | 78 Ų | 78 | 48% | 0.482 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.5 | 179.6 | -68.5 | -97 | 0 | 0 | 0 | 110.6 | V115 | Y111-V115 VanDerWaalsContact CA-O 3.3Å; Y111-V115 WeakPolarHBondContact CA-O 3.41Å |
| 112 | V | 57.4 | Low | 74.7 | Confident | 64 Ų | 64 | 77 Ų | 77 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 122.7 | 169.8 | 177.7 | 0 | 0 | 0 | 0 | 107.3 | D114 V115 I117 | V112-D114 VanDerWaalsContact C-N 3.33Å; V112-D114 PolarHBondContact O-N 2.67Å; V112-V115 PolarHBondContact N-O 2.93Å; V112-V115 WeakPolarHBondContact O-CB 3.47Å; V112-V115 PolarHBondContact O-N 2.86Å; V112-V115 VanDerWaalsContact O-N 3.07Å; V112-I117 HydrophobicContact CB-CG2 4.21Å; V112-I117 HydrophobicContact CG2-CD1 4.17Å; V112-I117 HydrophobicContact CG2-CG2 4.06Å |
| 113 | N | 53.8 | Low | 74.4 | Confident | 150 Ų | 150 | 77.3 Ų | 77.3 | 80% | 0.802 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 51.2 | -179 | -54.2 | -13.2 | 0 | 0 | 0 | 112.5 | V115 | N113-V115 PolarHBondContact O-N 3.11Š|
| 114 | D | 56.3 | Low | 73.9 | Confident | 117 Ų | 117 | 77.2 Ų | 77.2 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | -5.3 | -175.4 | -56.5 | -32.6 | 0 | 0 | 0 | 116.7 | V112 | V112-D114 VanDerWaalsContact C-N 3.33Å; V112-D114 PolarHBondContact O-N 2.67Å |
| 115 | V | 49 | Very low | 73.4 | Confident | 98 Ų | 98 | 76.5 Ų | 76.5 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 125.7 | 169.2 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | Y111 V112 N113 I117 | Y111-V115 VanDerWaalsContact CA-O 3.3Å; Y111-V115 WeakPolarHBondContact CA-O 3.41Å; V112-V115 PolarHBondContact N-O 2.93Å; V112-V115 WeakPolarHBondContact O-CB 3.47Å; V112-V115 PolarHBondContact O-N 2.86Å; V112-V115 VanDerWaalsContact O-N 3.07Å; N113-V115 PolarHBondContact O-N 3.11Å; V115-I117 PolarHBondContact O-N 3.33Å |
| 116 | S | 60.5 | Low | 72.6 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 49% | 0.49 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 115.9 | 169.4 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 117 | I | 64.4 | Low | 72.3 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 26% | 0.256 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141.9 | 174.5 | 55.3 | 171.2 | 0 | 0 | 0 | 109.9 | S110 V112 V115 E119 I121 | S110-I117 WeakPolarHBondContact O-CG1 3.34Å; S110-I117 PolarHBondContact O-N 3.38Å; V112-I117 HydrophobicContact CB-CG2 4.21Å; V112-I117 HydrophobicContact CG2-CD1 4.17Å; V112-I117 HydrophobicContact CG2-CG2 4.06Å; V115-I117 PolarHBondContact O-N 3.33Å; I117-E119 VanDerWaalsContact C-N 3.28Å; I117-E119 WeakPolarHBondContact CD1-O 3.3Å; I117-E119 WeakPolarHBondContact CG1-O 3.5Å; I117-E119 PolarHBondContact O-N 2.88Å; I117-I121 HydrophobicContact CD1-CB 4.48Å; I117-I121 HydrophobicContact CD1-CD1 3.51Å; I117-I121 HydrophobicContact CD1-CG1 3.63Å |
| 118 | H | 65.8 | Low | 72.1 | Confident | 178 Ų | 178 | 75.5 Ų | 75.5 | 82% | 0.824 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | -30.6 | -174.3 | -67.4 | -49.6 | 0 | 0 | 0 | 113.4 | ||
| 119 | E | 71.2 | Confident | 72.2 | Confident | 123 Ų | 123 | 78.2 Ų | 78.2 | 58% | 0.575 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.3 | 174.3 | -69.6 | -162.4 | -154.8 | 0 | 0 | 111.5 | I117 K151 | I117-E119 VanDerWaalsContact C-N 3.28Å; I117-E119 WeakPolarHBondContact CD1-O 3.3Å; I117-E119 WeakPolarHBondContact CG1-O 3.5Å; I117-E119 PolarHBondContact O-N 2.88Å; E119-K151 IonicContact OE2-NZ 3.1Å; E119-K151 PolarHBondContact OE2-NZ 3Å |
| 120 | P | 74.9 | Confident | 72.8 | Confident | 11 Ų | 11 | 78.7 Ų | 78.7 | 7% | 0.071 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.8 | 173.5 | -16.5 | 29.5 | 0 | 0 | 0 | 112.2 | V108 K109 K151 | V108-P120 HydrophobicContact CG1-CB 3.34Å; K109-P120 WeakPolarHBondContact O-CA 3.42Å; P120-K151 HydrophobicContact CG-CB 4.3Å |
| 121 | I | 81.4 | Confident | 74 | Confident | 83 Ų | 83 | 77.1 Ų | 77.1 | 43% | 0.426 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 121 | 174.8 | -62.8 | 167.2 | 0 | 0 | 0 | 109 | V108 K109 I117 T123 | V108-I121 WeakPolarHBondContact CA-O 3.48Å; K109-I121 HydrophobicContact CB-CB 4.48Å; K109-I121 PolarHBondContact N-O 3.07Å; K109-I121 PolarHBondContact O-N 2.95Å; I117-I121 HydrophobicContact CD1-CB 4.48Å; I117-I121 HydrophobicContact CD1-CD1 3.51Å; I117-I121 HydrophobicContact CD1-CG1 3.63Å; I121-T123 HydrophobicContact CG2-CG2 4.2Å |
| 122 | L | 87 | Confident | 75.7 | Confident | 37 Ų | 37 | 76.8 Ų | 76.8 | 19% | 0.194 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 139.5 | 172.4 | -49.4 | -178.7 | 0 | 0 | 0 | 110 | V106 V108 L125 L152 H155 | V106-L122 HydrophobicContact CG2-CB 4.44Å; V108-L122 HydrophobicContact CB-CD2 4.49Å; V108-L122 HydrophobicContact CG1-CD2 4.22Å; V108-L122 HydrophobicContact CG2-CD2 3.63Å; L122-L125 HydrophobicContact CB-CD1 4.37Å; L122-L125 HydrophobicContact CD1-CD1 4.21Å; L122-L152 HydrophobicContact CD1-CD1 4.09Å; L122-L152 HydrophobicContact CD2-CB 4.32Å; L122-L152 HydrophobicContact CD2-CD1 4.3Å; L122-H155 HydrophobicContact CD1-CB 3.64Å |
| 123 | T | 87.9 | Confident | 77.4 | Confident | 48 Ų | 48 | 78.6 Ų | 78.6 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 148.2 | 175 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | R107 I121 | R107-T123 PolarHBondContact N-O 3.17Å; R107-T123 PolarHBondContact O-N 3.05Å; R107-T123 PolarHBondContact O-OG1 2.98Å; I121-T123 HydrophobicContact CG2-CG2 4.2Å |
| 124 | G | 85.3 | Confident | 79.4 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 61% | 0.608 | 42% | 0.42 | S | S | * | . | trans | 91.9 | 3.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 125 | L | 84 | Confident | 81.3 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 20% | 0.204 | 39% | 0.393 | C | S | . | . | trans | -74 | 140.8 | 167.6 | -61.6 | 174.1 | 0 | 0 | 0 | 109.9 | M71 V106 L122 H155 | M71-L125 HydrophobicContact CE-CD2 3.43Å; M71-L125 VanDerWaalsContact CE-CD2 3.43Å; M71-L125 HydrophobicContact SD-CD2 3.87Å; V106-L125 HydrophobicContact CB-CD2 3.85Å; V106-L125 HydrophobicContact CB-CG 4.37Å; V106-L125 HydrophobicContact CG2-CD1 4.29Å; V106-L125 HydrophobicContact CG2-CD2 3.88Å; V106-L125 HydrophobicContact CG2-CG 3.88Å; L122-L125 HydrophobicContact CB-CD1 4.37Å; L122-L125 HydrophobicContact CD1-CD1 4.21Å; L125-H155 WeakPolarHBondContact CD1-CD2 3.3Å; L125-H155 WeakPolarHBondContact CD1-NE2 3.12Å | ||
| 126 | G | 79.3 | Confident | 83.5 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | trans | -81.2 | -141.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P128 Y131 | G126-P128 WeakPolarHBondContact O-CD 3.39Å; G126-Y131 PolarHBondContact N-OH 2.82Å | ||
| 127 | D | 86.5 | Confident | 85.2 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | trans | -71.1 | 127.1 | 173.1 | 169.8 | 12.9 | 0 | 0 | 0 | 109.4 | S129 E130 | D127-S129 VanDerWaalsContact CG-OG 3.27Å; D127-S129 PolarHBondContact O-N 3.18Å; D127-S129 PolarHBondContact OD1-N 2.82Å; D127-S129 WeakPolarHBondContact OD2-CB 3.23Å; D127-S129 PolarHBondContact OD2-OG 2.89Å; D127-E130 HydrophobicContact CB-CG 4Å; D127-E130 PolarHBondContact N-OE2 3.5Å; D127-E130 VanDerWaalsContact O-CB 3.3Å; D127-E130 WeakPolarHBondContact O-CB 3.45Å; D127-E130 PolarHBondContact O-N 3.2Å | ||
| 128 | P | 84.8 | Confident | 86.7 | Confident | 78 Ų | 78 | 59 Ų | 59 | 51% | 0.506 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -40.4 | -36.4 | 168.1 | -35.9 | 39.8 | 0 | 0 | 0 | 115.5 | G126 E130 Y131 L159 | G126-P128 WeakPolarHBondContact O-CD 3.39Å; P128-E130 PolarHBondContact O-N 2.96Å; P128-Y131 PolarHBondContact O-N 3.23Å; P128-L159 HydrophobicContact CB-CD2 4.02Å |
| 129 | S | 87.2 | Confident | 88.2 | Confident | 78 Ų | 78 | 50.5 Ų | 50.5 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -64.6 | -27.4 | 179.5 | 90.9 | 0 | 0 | 0 | 0 | 113.3 | D127 Y131 K132 | D127-S129 VanDerWaalsContact CG-OG 3.27Å; D127-S129 PolarHBondContact O-N 3.18Å; D127-S129 PolarHBondContact OD1-N 2.82Å; D127-S129 WeakPolarHBondContact OD2-CB 3.23Å; D127-S129 PolarHBondContact OD2-OG 2.89Å; S129-Y131 PolarHBondContact O-N 2.83Å; S129-K132 PolarHBondContact O-N 2.84Å |
| 130 | E | 89.4 | Confident | 89.1 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -69 | -17.1 | -178.1 | -65.4 | 171.9 | 146.3 | 0 | 0 | 113 | D127 P128 K134 | D127-E130 HydrophobicContact CB-CG 4Å; D127-E130 PolarHBondContact N-OE2 3.5Å; D127-E130 VanDerWaalsContact O-CB 3.3Å; D127-E130 WeakPolarHBondContact O-CB 3.45Å; D127-E130 PolarHBondContact O-N 3.2Å; P128-E130 PolarHBondContact O-N 2.96Å; E130-K134 WeakPolarHBondContact O-CD 3.5Å; E130-K134 WeakPolarHBondContact O-CE 3.33Å; E130-K134 PolarHBondContact O-NZ 2.58Å |
| 131 | Y | 91.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -99.8 | -15 | -178.4 | -57.9 | -78 | 0 | 0 | 0 | 113.3 | M71 E104 G126 P128 S129 D133 K134 L156 L159 T161 | M71-Y131 HydrophobicContact CE-CD1 4.02Å; M71-Y131 HydrophobicContact CE-CE1 3.36Å; E104-Y131 HydrophobicContact CG-CE1 4.35Å; G126-Y131 PolarHBondContact N-OH 2.82Å; P128-Y131 PolarHBondContact O-N 3.23Å; S129-Y131 PolarHBondContact O-N 2.83Å; Y131-D133 PolarHBondContact O-N 2.87Å; Y131-K134 PolarHBondContact O-N 3.19Å; Y131-L156 HydrophobicContact CD1-CD2 4.34Å; Y131-L159 HydrophobicContact CD2-CD1 3.52Å; Y131-L159 HydrophobicContact CE2-CD1 4.39Å; Y131-L159 HydrophobicContact CG-CD1 3.82Å; Y131-T161 WeakPolarHBondContact O-CG2 3.49Å |
| 132 | K | 92.7 | Very high | 90.2 | Very high | 117 Ų | 117 | 43.8 Ų | 43.8 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 136.4 | -179.3 | -164 | -170.4 | 178.4 | -95.8 | 0 | 111.5 | S129 K134 | S129-K132 PolarHBondContact O-N 2.84Å; K132-K134 PolarHBondContact O-N 3.33Å |
| 133 | D | 93.5 | Very high | 90.2 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 6.5 | 177.9 | -60.4 | -59 | 0 | 0 | 0 | 115.6 | Y131 S160 K162 | Y131-D133 PolarHBondContact O-N 2.87Å; D133-S160 PolarHBondContact N-O 2.93Å; D133-K162 VanDerWaalsContact C-CB 3.45Å; D133-K162 WeakPolarHBondContact O-CB 3.4Å |
| 134 | K | 94.5 | Very high | 90 | Very high | 65 Ų | 65 | 42.6 Ų | 42.6 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | trans | -84.9 | 152.3 | 175 | -70.5 | -168 | -176.4 | 159.5 | 0 | 113.1 | E130 Y131 K132 K162 S163 | E130-K134 WeakPolarHBondContact O-CD 3.5Å; E130-K134 WeakPolarHBondContact O-CE 3.33Å; E130-K134 PolarHBondContact O-NZ 2.58Å; Y131-K134 PolarHBondContact O-N 3.19Å; K132-K134 PolarHBondContact O-N 3.33Å; K134-K162 PolarHBondContact O-N 2.97Å; K134-S163 PolarHBondContact O-N 2.83Å | ||
| 135 | N | 96.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117.9 | 166.5 | -45.7 | -63.4 | 0 | 0 | 0 | 108.6 | Y60 S67 I68 T69 K162 S163 | Y60-N135 HydrophobicContact CE1-CB 3.9Å; S67-N135 PolarHBondContact O-ND2 2.97Å; I68-N135 HydrophobicContact CG2-CB 4.24Å; T69-N135 PolarHBondContact N-O 3.45Å; N135-K162 WeakPolarHBondContact OD1-CD 3.45Å; N135-K162 WeakPolarHBondContact OD1-CE 3.27Å; N135-K162 WeakPolarHBondContact OD1-CG 3.42Å; N135-S163 PolarHBondContact OD1-OG 3.03Å |
| 136 | V | 96.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.9 | -179.7 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | T69 M71 V138 L156 T161 S163 V164 K165 | T69-V136 CarbonylContact O-C 3.5Å; T69-V136 WeakPolarHBondContact O-CA 3.43Å; M71-V136 HydrophobicContact CB-CG1 3.89Å; V136-V138 HydrophobicContact CG1-CG2 4.31Å; V136-L156 HydrophobicContact CG1-CD1 4.09Å; V136-T161 HydrophobicContact CG2-CG2 3.87Å; V136-S163 PolarHBondContact N-O 3.13Å; V136-V164 CarbonylContact O-C 3.32Å; V136-V164 WeakPolarHBondContact O-CA 3.4Å; V136-K165 PolarHBondContact O-N 3.43Å |
| 137 | L | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 107.4 | 167.4 | -178.9 | 64.6 | 0 | 0 | 0 | 108.6 | I56 T69 L70 M71 V139 K165 A167 | I56-L137 HydrophobicContact CD1-CD2 4Å; I56-L137 HydrophobicContact CG1-CD2 4.46Å; I56-L137 HydrophobicContact CG2-CD2 3.93Å; T69-L137 PolarHBondContact O-N 3.49Å; L70-L137 CarbonylContact C-O 3.6Å; L70-L137 WeakPolarHBondContact CA-O 3.48Å; L70-L137 HydrophobicContact CD2-CB 4.05Å; L70-L137 HydrophobicContact CD2-CD2 3.87Å; L70-L137 HydrophobicContact CD2-CG 4.41Å; M71-L137 PolarHBondContact N-O 3.23Å; L137-V139 HydrophobicContact CG-CG2 4.47Å; L137-K165 CarbonylContact C-O 3.57Å; L137-K165 WeakPolarHBondContact CA-O 3.4Å; L137-K165 HydrophobicContact CD1-CB 3.63Å; L137-A167 HydrophobicContact CD1-CB 4.04Å; L137-A167 HydrophobicContact CD2-CB 4.38Å; L137-A167 HydrophobicContact CG-CB 4.33Å |
| 138 | V | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 136.5 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | M71 V73 V136 I149 L152 L156 V164 K165 V166 A167 | M71-V138 CarbonylContact O-C 3.55Å; M71-V138 WeakPolarHBondContact O-CA 3.3Å; V73-V138 HydrophobicContact CG2-CG1 3.73Å; V136-V138 HydrophobicContact CG1-CG2 4.31Å; V138-I149 HydrophobicContact CG1-CD1 3.68Å; V138-L152 HydrophobicContact CG1-CD2 3.67Å; V138-L152 HydrophobicContact CG2-CD2 4.19Å; V138-L156 HydrophobicContact CG2-CD1 3.8Å; V138-V164 HydrophobicContact CG2-CG1 4.09Å; V138-K165 PolarHBondContact N-O 3.17Å; V138-V166 HydrophobicContact CB-CG2 4.18Å; V138-V166 WeakPolarHBondContact O-CA 3.37Å; V138-A167 PolarHBondContact O-N 3.47Å |
| 139 | V | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 113.9 | -175.9 | -174 | 0 | 0 | 0 | 0 | 110.2 | M71 V73 F80 L81 L84 L137 A167 | M71-V139 PolarHBondContact O-N 3.1Å; V73-V139 PolarHBondContact N-O 2.76Å; F80-V139 HydrophobicContact CD1-CG1 3.46Å; F80-V139 VanDerWaalsContact CD1-CG1 3.46Å; F80-V139 HydrophobicContact CE1-CG1 3.6Å; F80-V139 HydrophobicContact CG-CG1 4.14Å; F80-V139 HydrophobicContact CZ-CG1 4.38Å; L81-V139 HydrophobicContact CB-CG1 4.1Å; L81-V139 HydrophobicContact CD1-CB 4.47Å; L81-V139 HydrophobicContact CD1-CG2 4.13Å; L84-V139 HydrophobicContact CD2-CG1 4.17Å; L84-V139 HydrophobicContact CD2-CG2 3.97Å; L137-V139 HydrophobicContact CG-CG2 4.47Å; V139-A167 WeakPolarHBondContact CA-O 3.13Å |
| 140 | E | 91.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.2 | -174.1 | -176 | 103.4 | -124.9 | 0 | 0 | 111 | V73 F80 T148 I149 A167 S168 L169 | V73-E140 VanDerWaalsContact CG1-OE1 3.27Å; V73-E140 WeakPolarHBondContact CG1-OE1 3.46Å; V73-E140 HydrophobicContact CG2-CB 4.47Å; F80-E140 WeakPolarHBondContact CD1-O 3.34Å; E140-T148 WeakPolarHBondContact OE2-CG2 3.24Å; E140-I149 HydrophobicContact CB-CD1 4.05Å; E140-I149 HydrophobicContact CG-CD1 4.33Å; E140-I149 WeakPolarHBondContact OE2-CD1 3.4Å; E140-I149 WeakPolarHBondContact OE2-CG1 3.43Å; E140-A167 PolarHBondContact N-O 3.34Å; E140-S168 VanDerWaalsContact O-CA 3.23Å; E140-S168 WeakPolarHBondContact O-CA 3.1Å; E140-S168 PolarHBondContact O-OG 3.31Å; E140-L169 PolarHBondContact O-N 3.39Å |
| 141 | D | 90.9 | Very high | 90.5 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -39.7 | 178 | 60.4 | -50.8 | 0 | 0 | 0 | 113 | G76 G77 L169 L170 F223 | G76-D141 VanDerWaalsContact C-CG 3.48Å; G76-D141 VanDerWaalsContact CA-CG 3.48Å; G76-D141 WeakPolarHBondContact CA-OD1 3.2Å; G77-D141 PolarHBondContact N-OD1 2.58Å; D141-L169 WeakPolarHBondContact O-CB 3.2Å; D141-L170 WeakPolarHBondContact O-CB 3.48Å; D141-L170 PolarHBondContact O-N 3.37Å; D141-L170 VanDerWaalsContact O-N 3.07Å; D141-F223 HydrophobicContact CB-CZ 4.11Å; D141-F223 WeakPolarHBondContact OD2-CE2 3.44Å; D141-F223 WeakPolarHBondContact OD2-CZ 3Å |
| 142 | I | 88.3 | Confident | 90.5 | Very high | 41 Ų | 41 | 39.4 Ų | 39.4 | 21% | 0.21 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 120.4 | 179.4 | -175.5 | 164.4 | 0 | 0 | 0 | 114.9 | D144 L170 L191 L221 | I142-D144 PolarHBondContact O-N 3.2Å; I142-L170 WeakPolarHBondContact CA-O 3.39Å; I142-L170 HydrophobicContact CB-CB 4.08Å; I142-L170 HydrophobicContact CB-CD1 4.21Å; I142-L170 HydrophobicContact CD1-CB 4.32Å; I142-L170 HydrophobicContact CD1-CD1 4.09Å; I142-L170 HydrophobicContact CG1-CB 3.95Å; I142-L170 HydrophobicContact CG1-CD1 4.37Å; I142-L191 HydrophobicContact CD1-CD1 3.69Å; I142-L221 HydrophobicContact CD1-CD2 3.95Å |
| 143 | I | 87.7 | Confident | 90.5 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 96.5 | 163 | -64.2 | 175.2 | 0 | 0 | 0 | 108.4 | I149 V166 L170 K172 Y180 P182 | I143-I149 HydrophobicContact CD1-CG1 4.14Å; I143-I149 HydrophobicContact CG1-CG1 4.05Å; I143-V166 HydrophobicContact CD1-CG1 4.14Å; I143-L170 PolarHBondContact N-O 3.22Å; I143-K172 PolarHBondContact O-N 3.24Å; I143-Y180 HydrophobicContact CD1-CD1 4.13Å; I143-Y180 HydrophobicContact CD1-CE1 4.08Å; I143-P182 HydrophobicContact CD1-CB 3.77Å; I143-P182 HydrophobicContact CD1-CG 3.78Å |
| 144 | D | 82.5 | Confident | 90.4 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -80.6 | -126.5 | 158.1 | -157.7 | -18 | 0 | 0 | 0 | 108.6 | I142 G146 K172 T174 N178 | I142-D144 PolarHBondContact O-N 3.2Å; D144-G146 PolarHBondContact O-N 3.06Å; D144-K172 HydrophobicContact CB-CD 4.39Å; D144-K172 WeakPolarHBondContact OD1-CD 3.27Å; D144-K172 IonicContact OD1-NZ 3.79Å; D144-K172 PolarHBondContact OD1-NZ 2.95Å; D144-K172 VanDerWaalsContact OD1-NZ 3.1Å; D144-K172 IonicContact OD2-NZ 2.7Å; D144-K172 PolarHBondContact OD2-NZ 3.02Å; D144-T174 WeakPolarHBondContact OD1-CG2 3.36Å; D144-N178 PolarHBondContact O-ND2 2.79Å; D144-N178 PolarHBondContact O-OD1 2.79Å |
| 145 | T | 81.3 | Confident | 90.2 | Very high | 88 Ų | 88 | 33.7 Ų | 33.7 | 54% | 0.54 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -52.9 | 2.1 | -176.2 | 67.1 | 0 | 0 | 0 | 0 | 118.8 | K147 N178 | T145-K147 PolarHBondContact O-N 3.15Å; T145-N178 WeakPolarHBondContact CA-OD1 3.33Å |
| 146 | G | 86.1 | Confident | 90.1 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 74.2 | -26.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D144 T148 I149 T150 | D144-G146 PolarHBondContact O-N 3.06Å; G146-T148 VanDerWaalsContact C-N 3.3Å; G146-T148 PolarHBondContact O-N 2.62Å; G146-T148 VanDerWaalsContact O-N 3.09Å; G146-I149 PolarHBondContact O-N 2.98Å; G146-T150 PolarHBondContact O-N 2.89Å; G146-T150 PolarHBondContact O-OG1 2.71Å |
| 147 | K | 85.2 | Confident | 89.8 | Confident | 125 Ų | 125 | 37.5 Ų | 37.5 | 54% | 0.543 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -48.4 | -42.5 | -172.1 | -64.8 | -174 | 176.9 | -171 | 0 | 115.1 | T145 K151 | T145-K147 PolarHBondContact O-N 3.15Å; K147-K151 WeakPolarHBondContact O-CB 3.32Å; K147-K151 PolarHBondContact O-N 2.93Å |
| 148 | T | 86.1 | Confident | 89.6 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.1 | -56.1 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | V73 V108 E140 G146 K151 L152 | V73-T148 HydrophobicContact CG1-CG2 4.35Å; V108-T148 HydrophobicContact CB-CG2 4.07Å; V108-T148 HydrophobicContact CG1-CG2 4.05Å; V108-T148 HydrophobicContact CG2-CG2 3.97Å; E140-T148 WeakPolarHBondContact OE2-CG2 3.24Å; G146-T148 VanDerWaalsContact C-N 3.3Å; G146-T148 PolarHBondContact O-N 2.62Å; G146-T148 VanDerWaalsContact O-N 3.09Å; T148-K151 PolarHBondContact O-N 3.29Å; T148-L152 PolarHBondContact O-N 2.83Å; T148-L152 VanDerWaalsContact O-N 3.09Å |
| 149 | I | 89.6 | Confident | 89.4 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | -178.9 | -71.5 | -65.9 | 0 | 0 | 0 | 111.1 | V138 E140 I143 G146 K151 L152 I153 V166 Y180 | V138-I149 HydrophobicContact CG1-CD1 3.68Å; E140-I149 HydrophobicContact CB-CD1 4.05Å; E140-I149 HydrophobicContact CG-CD1 4.33Å; E140-I149 WeakPolarHBondContact OE2-CD1 3.4Å; E140-I149 WeakPolarHBondContact OE2-CG1 3.43Å; I143-I149 HydrophobicContact CD1-CG1 4.14Å; I143-I149 HydrophobicContact CG1-CG1 4.05Å; G146-I149 PolarHBondContact O-N 2.98Å; I149-K151 VanDerWaalsContact C-N 3.34Å; I149-K151 PolarHBondContact O-N 2.72Å; I149-L152 PolarHBondContact O-N 3.29Å; I149-I153 HydrophobicContact CG2-CD1 3.46Å; I149-I153 VanDerWaalsContact CG2-CD1 3.46Å; I149-I153 HydrophobicContact CG2-CG1 4.09Å; I149-I153 WeakPolarHBondContact O-CG1 3.03Å; I149-I153 PolarHBondContact O-N 3.16Å; I149-V166 HydrophobicContact CD1-CG1 3.99Å; I149-V166 HydrophobicContact CG2-CG1 4.45Å; I149-V166 HydrophobicContact CG2-CG2 3.92Å; I149-Y180 HydrophobicContact CB-CD1 4.37Å; I149-Y180 HydrophobicContact CB-CE1 4.41Å; I149-Y180 HydrophobicContact CG2-CD1 3.73Å; I149-Y180 HydrophobicContact CG2-CD2 4.33Å; I149-Y180 HydrophobicContact CG2-CE1 3.39Å; I149-Y180 HydrophobicContact CG2-CE2 4.06Å; I149-Y180 HydrophobicContact CG2-CG 4.21Å |
| 150 | T | 89.6 | Confident | 89.2 | Confident | 66 Ų | 66 | 46 Ų | 46 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 177.6 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | G146 L152 I153 S154 | G146-T150 PolarHBondContact O-N 2.89Å; G146-T150 PolarHBondContact O-OG1 2.71Å; T150-L152 VanDerWaalsContact C-N 3.33Å; T150-L152 PolarHBondContact O-N 3.18Å; T150-I153 PolarHBondContact O-N 3.39Å; T150-S154 PolarHBondContact O-N 3.44Å; T150-S154 PolarHBondContact O-OG 3.09Å |
| 151 | K | 89.2 | Confident | 89.4 | Confident | 80 Ų | 80 | 46.1 Ų | 46.1 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 178.1 | -175.6 | 67.1 | 178.5 | -174.4 | 0 | 112.3 | E119 P120 K147 T148 I149 H155 | E119-K151 IonicContact OE2-NZ 3.1Å; E119-K151 PolarHBondContact OE2-NZ 3Å; P120-K151 HydrophobicContact CG-CB 4.3Å; K147-K151 WeakPolarHBondContact O-CB 3.32Å; K147-K151 PolarHBondContact O-N 2.93Å; T148-K151 PolarHBondContact O-N 3.29Å; I149-K151 VanDerWaalsContact C-N 3.34Å; I149-K151 PolarHBondContact O-N 2.72Å; K151-H155 WeakPolarHBondContact O-CB 3.47Å; K151-H155 PolarHBondContact O-N 2.95Å |
| 152 | L | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.1 | -44.9 | 177.1 | 179.9 | 57.9 | 0 | 0 | 0 | 112.2 | M71 V73 V106 L122 V138 T148 I149 T150 H155 L156 | M71-L152 HydrophobicContact SD-CD1 4.02Å; M71-L152 HydrophobicContact SD-CD2 4.36Å; V73-L152 HydrophobicContact CG2-CD2 3.8Å; V106-L152 HydrophobicContact CG1-CD1 4.2Å; V106-L152 HydrophobicContact CG1-CD2 3.78Å; V106-L152 HydrophobicContact CG2-CD1 4.22Å; L122-L152 HydrophobicContact CD1-CD1 4.09Å; L122-L152 HydrophobicContact CD2-CB 4.32Å; L122-L152 HydrophobicContact CD2-CD1 4.3Å; V138-L152 HydrophobicContact CG1-CD2 3.67Å; V138-L152 HydrophobicContact CG2-CD2 4.19Å; T148-L152 PolarHBondContact O-N 2.83Å; T148-L152 VanDerWaalsContact O-N 3.09Å; I149-L152 PolarHBondContact O-N 3.29Å; T150-L152 VanDerWaalsContact C-N 3.33Å; T150-L152 PolarHBondContact O-N 3.18Å; L152-H155 PolarHBondContact O-N 3.3Å; L152-L156 HydrophobicContact CD1-CD1 4.27Å; L152-L156 HydrophobicContact CD1-CG 4.3Å; L152-L156 HydrophobicContact CG-CD1 4.13Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 3.24Å |
| 153 | I | 91.8 | Very high | 89.8 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -52.6 | 176.7 | -68.2 | 169.7 | 0 | 0 | 0 | 110.3 | I149 T150 H155 L156 D157 V164 V166 Y180 | I149-I153 HydrophobicContact CG2-CD1 3.46Å; I149-I153 VanDerWaalsContact CG2-CD1 3.46Å; I149-I153 HydrophobicContact CG2-CG1 4.09Å; I149-I153 WeakPolarHBondContact O-CG1 3.03Å; I149-I153 PolarHBondContact O-N 3.16Å; T150-I153 PolarHBondContact O-N 3.39Å; I153-H155 PolarHBondContact O-N 3.09Å; I153-L156 PolarHBondContact O-N 2.98Å; I153-D157 WeakPolarHBondContact CG2-OD2 3.47Å; I153-D157 VanDerWaalsContact O-CG 3.23Å; I153-D157 PolarHBondContact O-N 3.45Å; I153-V164 HydrophobicContact CG1-CG1 4.07Å; I153-V166 HydrophobicContact CD1-CG2 3.86Å; I153-V166 HydrophobicContact CG1-CG2 4.39Å; I153-Y180 HydrophobicContact CD1-CD2 4.36Å; I153-Y180 HydrophobicContact CD1-CE2 3.41Å; I153-Y180 VanDerWaalsContact CD1-CE2 3.41Å; I153-Y180 WeakPolarHBondContact CD1-OH 3.24Å |
| 154 | S | 90.9 | Very high | 90.1 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -23 | 179.4 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | T150 | T150-S154 PolarHBondContact O-N 3.44Å; T150-S154 PolarHBondContact O-OG 3.09Å |
| 155 | H | 91.6 | Very high | 90.7 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -77.8 | -48.7 | 170.2 | -176.9 | 60.7 | 0 | 0 | 0 | 111.9 | L122 L125 K151 L152 I153 D157 S158 L159 | L122-H155 HydrophobicContact CD1-CB 3.64Å; L125-H155 WeakPolarHBondContact CD1-CD2 3.3Å; L125-H155 WeakPolarHBondContact CD1-NE2 3.12Å; K151-H155 WeakPolarHBondContact O-CB 3.47Å; K151-H155 PolarHBondContact O-N 2.95Å; L152-H155 PolarHBondContact O-N 3.3Å; I153-H155 PolarHBondContact O-N 3.09Å; H155-D157 VanDerWaalsContact C-N 3.34Å; H155-D157 PolarHBondContact O-N 2.81Å; H155-S158 WeakPolarHBondContact O-CB 3.36Å; H155-S158 PolarHBondContact O-N 3.33Å; H155-S158 PolarHBondContact O-OG 3Å; H155-L159 WeakPolarHBondContact O-CG 3.5Å; H155-L159 PolarHBondContact O-N 3.44Å |
| 156 | L | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.4 | -42 | 176.4 | -71 | 170.9 | 0 | 0 | 0 | 112.7 | M71 Y131 V136 V138 L152 I153 S158 L159 T161 V164 | M71-L156 HydrophobicContact CE-CD2 3.94Å; M71-L156 HydrophobicContact SD-CD1 4.12Å; M71-L156 HydrophobicContact SD-CD2 4.13Å; Y131-L156 HydrophobicContact CD1-CD2 4.34Å; V136-L156 HydrophobicContact CG1-CD1 4.09Å; V138-L156 HydrophobicContact CG2-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CD1 4.27Å; L152-L156 HydrophobicContact CD1-CG 4.3Å; L152-L156 HydrophobicContact CG-CD1 4.13Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 3.24Å; I153-L156 PolarHBondContact O-N 2.98Å; L156-S158 PolarHBondContact O-N 2.83Å; L156-L159 WeakPolarHBondContact O-CA 3.45Å; L156-L159 WeakPolarHBondContact O-CB 3.38Å; L156-L159 PolarHBondContact O-N 3.23Å; L156-T161 HydrophobicContact CB-CG2 4.25Å; L156-T161 HydrophobicContact CD2-CG2 4.43Å; L156-T161 PolarHBondContact O-OG1 2.82Å; L156-V164 HydrophobicContact CB-CG2 3.76Å; L156-V164 HydrophobicContact CD1-CG1 3.9Å; L156-V164 HydrophobicContact CD1-CG2 4.31Å |
| 157 | D | 90.7 | Very high | 91.8 | Very high | 87 Ų | 87 | 45.3 Ų | 45.3 | 47% | 0.465 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.2 | -39.3 | 174.5 | -65.7 | -24.6 | 0 | 0 | 0 | 111.2 | I153 H155 L159 S160 | I153-D157 WeakPolarHBondContact CG2-OD2 3.47Å; I153-D157 VanDerWaalsContact O-CG 3.23Å; I153-D157 PolarHBondContact O-N 3.45Å; H155-D157 VanDerWaalsContact C-N 3.34Å; H155-D157 PolarHBondContact O-N 2.81Å; D157-L159 PolarHBondContact O-N 2.93Å; D157-S160 PolarHBondContact O-N 3.33Å; D157-S160 VanDerWaalsContact O-N 3.1Å |
| 158 | S | 92.4 | Very high | 92.2 | Very high | 81 Ų | 81 | 39.4 Ų | 39.4 | 57% | 0.566 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -67.4 | -17.3 | 176.9 | 79.2 | 0 | 0 | 0 | 0 | 113.8 | H155 L156 S160 | H155-S158 WeakPolarHBondContact O-CB 3.36Å; H155-S158 PolarHBondContact O-N 3.33Å; H155-S158 PolarHBondContact O-OG 3Å; L156-S158 PolarHBondContact O-N 2.83Å; S158-S160 VanDerWaalsContact C-N 3.3Å |
| 159 | L | 92.9 | Very high | 92.4 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.12 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.8 | 174.9 | -49.7 | -174 | 0 | 0 | 0 | 112.9 | P128 Y131 H155 L156 D157 T161 | P128-L159 HydrophobicContact CB-CD2 4.02Å; Y131-L159 HydrophobicContact CD2-CD1 3.52Å; Y131-L159 HydrophobicContact CE2-CD1 4.39Å; Y131-L159 HydrophobicContact CG-CD1 3.82Å; H155-L159 WeakPolarHBondContact O-CG 3.5Å; H155-L159 PolarHBondContact O-N 3.44Å; L156-L159 WeakPolarHBondContact O-CA 3.45Å; L156-L159 WeakPolarHBondContact O-CB 3.38Å; L156-L159 PolarHBondContact O-N 3.23Å; D157-L159 PolarHBondContact O-N 2.93Å; L159-T161 PolarHBondContact O-N 3.21Å |
| 160 | S | 91.4 | Very high | 92.5 | Very high | 74 Ų | 74 | 38 Ų | 38 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 43.7 | -176.2 | -53.1 | 0 | 0 | 0 | 0 | 113.4 | D133 D157 S158 | D133-S160 PolarHBondContact N-O 2.93Å; D157-S160 PolarHBondContact O-N 3.33Å; D157-S160 VanDerWaalsContact O-N 3.1Å; S158-S160 VanDerWaalsContact C-N 3.3Å |
| 161 | T | 93.9 | Very high | 92.5 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | trans | -60.6 | 142.9 | 167.5 | 51.2 | 0 | 0 | 0 | 0 | 111.1 | Y131 V136 L156 L159 V164 | Y131-T161 WeakPolarHBondContact O-CG2 3.49Å; V136-T161 HydrophobicContact CG2-CG2 3.87Å; L156-T161 HydrophobicContact CB-CG2 4.25Å; L156-T161 HydrophobicContact CD2-CG2 4.43Å; L156-T161 PolarHBondContact O-OG1 2.82Å; L159-T161 PolarHBondContact O-N 3.21Å; T161-V164 HydrophobicContact CG2-CG2 4.5Å; T161-V164 VanDerWaalsContact OG1-CG2 3.29Å; T161-V164 WeakPolarHBondContact OG1-CG2 3.28Å | ||
| 162 | K | 94.4 | Very high | 92.3 | Very high | 115 Ų | 115 | 33.6 Ų | 33.6 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -68.1 | -33.8 | 178.3 | 169.3 | 175.4 | 168.9 | 174.6 | 0 | 113.2 | D133 K134 N135 | D133-K162 VanDerWaalsContact C-CB 3.45Å; D133-K162 WeakPolarHBondContact O-CB 3.4Å; K134-K162 PolarHBondContact O-N 2.97Å; N135-K162 WeakPolarHBondContact OD1-CD 3.45Å; N135-K162 WeakPolarHBondContact OD1-CE 3.27Å; N135-K162 WeakPolarHBondContact OD1-CG 3.42Å |
| 163 | S | 93.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 135.9 | 169.8 | 71 | 0 | 0 | 0 | 0 | 110.5 | K134 N135 V136 | K134-S163 PolarHBondContact O-N 2.83Å; N135-S163 PolarHBondContact OD1-OG 3.03Å; V136-S163 PolarHBondContact N-O 3.13Å |
| 164 | V | 94.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.2 | 163.5 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | V136 V138 I153 L156 T161 | V136-V164 CarbonylContact O-C 3.32Å; V136-V164 WeakPolarHBondContact O-CA 3.4Å; V138-V164 HydrophobicContact CG2-CG1 4.09Å; I153-V164 HydrophobicContact CG1-CG1 4.07Å; L156-V164 HydrophobicContact CB-CG2 3.76Å; L156-V164 HydrophobicContact CD1-CG1 3.9Å; L156-V164 HydrophobicContact CD1-CG2 4.31Å; T161-V164 HydrophobicContact CG2-CG2 4.5Å; T161-V164 VanDerWaalsContact OG1-CG2 3.29Å; T161-V164 WeakPolarHBondContact OG1-CG2 3.28Å |
| 165 | K | 95.3 | Very high | 89.8 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 16% | 0.161 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155 | 172 | -68.7 | -67 | 165.5 | -150.7 | 0 | 110.2 | I6 Y59 V136 L137 V138 D183 | I6-K165 HydrophobicContact CD1-CB 4.46Å; I6-K165 HydrophobicContact CD1-CD 4.12Å; I6-K165 HydrophobicContact CD1-CG 4.28Å; Y59-K165 HydrophobicContact CE1-CD 4.22Å; Y59-K165 HydrophobicContact CE1-CG 3.87Å; Y59-K165 WeakPolarHBondContact OH-CE 3.26Å; V136-K165 PolarHBondContact O-N 3.43Å; L137-K165 CarbonylContact C-O 3.57Å; L137-K165 WeakPolarHBondContact CA-O 3.4Å; L137-K165 HydrophobicContact CD1-CB 3.63Å; V138-K165 PolarHBondContact N-O 3.17Å; K165-D183 WeakPolarHBondContact CA-OD2 3.35Å; K165-D183 HydrophobicContact CD-CB 3.98Å; K165-D183 WeakPolarHBondContact CD-OD1 3.44Å; K165-D183 WeakPolarHBondContact CD-OD2 3.35Å; K165-D183 WeakPolarHBondContact CE-OD1 3.46Å; K165-D183 IonicContact NZ-OD1 2.75Å; K165-D183 PolarHBondContact NZ-OD1 3Å |
| 166 | V | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.3 | 176.4 | -173.4 | 0 | 0 | 0 | 0 | 111 | V138 I143 I149 I153 Y180 P182 D183 C184 | V138-V166 HydrophobicContact CB-CG2 4.18Å; V138-V166 WeakPolarHBondContact O-CA 3.37Å; I143-V166 HydrophobicContact CD1-CG1 4.14Å; I149-V166 HydrophobicContact CD1-CG1 3.99Å; I149-V166 HydrophobicContact CG2-CG1 4.45Å; I149-V166 HydrophobicContact CG2-CG2 3.92Å; I153-V166 HydrophobicContact CD1-CG2 3.86Å; I153-V166 HydrophobicContact CG1-CG2 4.39Å; V166-Y180 HydrophobicContact CB-CE1 4.45Å; V166-Y180 HydrophobicContact CG2-CE1 4.31Å; V166-Y180 WeakPolarHBondContact CG2-OH 3.16Å; V166-P182 HydrophobicContact CB-CB 3.92Å; V166-P182 HydrophobicContact CG1-CB 3.81Å; V166-D183 PolarHBondContact N-OD2 3.06Å; V166-D183 PolarHBondContact O-N 2.98Å; V166-C184 PolarHBondContact O-N 2.78Å; V166-C184 PolarHBondContact O-SG 3.42Å; V166-C184 VanDerWaalsContact O-SG 3.4Å |
| 167 | A | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.3 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | M52 I56 F80 L84 L137 V138 V139 E140 C184 | M52-A167 HydrophobicContact SD-CB 4.24Å; I56-A167 HydrophobicContact CD1-CB 4.4Å; F80-A167 HydrophobicContact CE1-CB 4.39Å; F80-A167 HydrophobicContact CZ-CB 4.22Å; L84-A167 HydrophobicContact CD2-CB 4.26Å; L137-A167 HydrophobicContact CD1-CB 4.04Å; L137-A167 HydrophobicContact CD2-CB 4.38Å; L137-A167 HydrophobicContact CG-CB 4.33Å; V138-A167 PolarHBondContact O-N 3.47Å; V139-A167 WeakPolarHBondContact CA-O 3.13Å; E140-A167 PolarHBondContact N-O 3.34Å; A167-C184 WeakPolarHBondContact CA-O 2.71Å; A167-C184 HydrophobicContact CB-CB 4.02Å |
| 168 | S | 93 | Very high | 85.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.5 | 171.2 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | E140 L170 C184 K185 I186 | E140-S168 VanDerWaalsContact O-CA 3.23Å; E140-S168 WeakPolarHBondContact O-CA 3.1Å; E140-S168 PolarHBondContact O-OG 3.31Å; S168-L170 PolarHBondContact OG-N 2.9Å; S168-L170 PolarHBondContact OG-O 3Å; S168-C184 PolarHBondContact N-O 2.78Å; S168-K185 VanDerWaalsContact O-CA 3.28Å; S168-K185 WeakPolarHBondContact O-CA 3.22Å; S168-I186 PolarHBondContact O-N 2.77Å |
| 169 | L | 91.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -47.8 | 171.9 | 171.1 | 79.9 | 0 | 0 | 0 | 110.4 | I45 F80 E140 D141 I186 I187 I209 F223 | I45-L169 HydrophobicContact CG2-CD1 3.81Å; F80-L169 HydrophobicContact CD1-CB 3.93Å; F80-L169 HydrophobicContact CD2-CB 4.36Å; F80-L169 HydrophobicContact CE1-CB 4.2Å; F80-L169 VanDerWaalsContact CE1-N 3.3Å; F80-L169 HydrophobicContact CG-CB 4.03Å; E140-L169 PolarHBondContact O-N 3.39Å; D141-L169 WeakPolarHBondContact O-CB 3.2Å; L169-I186 HydrophobicContact CD1-CB 4.23Å; L169-I186 HydrophobicContact CD1-CD1 3.76Å; L169-I186 HydrophobicContact CD1-CG2 4.14Å; L169-I186 WeakPolarHBondContact O-CB 3.48Å; L169-I187 PolarHBondContact O-N 2.87Å; L169-I209 HydrophobicContact CD1-CD1 3.59Å; L169-I209 HydrophobicContact CD2-CD1 3.37Å; L169-I209 HydrophobicContact CD2-CG1 4.12Å; L169-I209 HydrophobicContact CG-CD1 4.08Å; L169-F223 HydrophobicContact CD2-CE1 4.02Å |
| 170 | L | 91 | Very high | 83.8 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.4 | -173.9 | -56.7 | 172.8 | 0 | 0 | 0 | 112.5 | I40 D141 I142 I143 S168 I187 I207 L221 F223 | I40-L170 HydrophobicContact CD1-CD2 3.7Å; D141-L170 WeakPolarHBondContact O-CB 3.48Å; D141-L170 PolarHBondContact O-N 3.37Å; D141-L170 VanDerWaalsContact O-N 3.07Å; I142-L170 WeakPolarHBondContact CA-O 3.39Å; I142-L170 HydrophobicContact CB-CB 4.08Å; I142-L170 HydrophobicContact CB-CD1 4.21Å; I142-L170 HydrophobicContact CD1-CB 4.32Å; I142-L170 HydrophobicContact CD1-CD1 4.09Å; I142-L170 HydrophobicContact CG1-CB 3.95Å; I142-L170 HydrophobicContact CG1-CD1 4.37Å; I143-L170 PolarHBondContact N-O 3.22Å; S168-L170 PolarHBondContact OG-N 2.9Å; S168-L170 PolarHBondContact OG-O 3Å; L170-I187 WeakPolarHBondContact CA-O 2.59Å; L170-I187 HydrophobicContact CD2-CB 4.22Å; L170-I187 HydrophobicContact CD2-CG2 4.18Å; L170-I207 HydrophobicContact CD1-CB 4.34Å; L170-I207 HydrophobicContact CD1-CD1 3.39Å; L170-I207 HydrophobicContact CD1-CG1 4.42Å; L170-I207 HydrophobicContact CD1-CG2 3.99Å; L170-I207 HydrophobicContact CD2-CD1 3.8Å; L170-I207 HydrophobicContact CD2-CG2 4.16Å; L170-I207 HydrophobicContact CG-CD1 4.21Å; L170-L221 HydrophobicContact CD1-CD2 3.58Å; L170-F223 HydrophobicContact CD1-CE1 4.07Å; L170-F223 HydrophobicContact CD1-CZ 4.21Å |
| 171 | V | 88.7 | Confident | 83.2 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.4 | 161.4 | -177 | 0 | 0 | 0 | 0 | 108.7 | P182 K185 I187 Q188 S189 | V171-P182 HydrophobicContact CG2-CG 3.56Å; V171-K185 HydrophobicContact CG2-CB 3.86Å; V171-K185 HydrophobicContact CG2-CD 3.99Å; V171-K185 HydrophobicContact CG2-CG 4.47Å; V171-I187 PolarHBondContact N-O 3.14Å; V171-Q188 HydrophobicContact CB-CB 4.43Å; V171-Q188 HydrophobicContact CB-CG 4.21Å; V171-Q188 HydrophobicContact CG1-CG 4.39Å; V171-Q188 VanDerWaalsContact O-CA 3.3Å; V171-Q188 WeakPolarHBondContact O-CA 3.39Å; V171-Q188 WeakPolarHBondContact O-CG 3.34Å; V171-S189 PolarHBondContact O-N 2.69Å; V171-S189 VanDerWaalsContact O-N 3.11Å |
| 172 | K | 85 | Confident | 82.5 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 134 | 176 | -173.8 | 172.5 | 157.8 | -157.4 | 0 | 109.7 | I143 D144 T174 N178 S189 L191 | I143-K172 PolarHBondContact O-N 3.24Å; D144-K172 HydrophobicContact CB-CD 4.39Å; D144-K172 WeakPolarHBondContact OD1-CD 3.27Å; D144-K172 IonicContact OD1-NZ 3.79Å; D144-K172 PolarHBondContact OD1-NZ 2.95Å; D144-K172 VanDerWaalsContact OD1-NZ 3.1Å; D144-K172 IonicContact OD2-NZ 2.7Å; D144-K172 PolarHBondContact OD2-NZ 3.02Å; K172-T174 HydrophobicContact CD-CG2 4.3Å; K172-T174 HydrophobicContact CG-CG2 4.09Å; K172-N178 PolarHBondContact O-ND2 3.08Å; K172-S189 CarbonylContact C-O 3.55Å; K172-S189 VanDerWaalsContact CA-O 3.3Å; K172-S189 WeakPolarHBondContact CA-O 3.46Å; K172-L191 HydrophobicContact CD-CB 4.06Å; K172-L191 HydrophobicContact CD-CD1 4.5Å; K172-L191 HydrophobicContact CG-CB 4.06Å; K172-L191 HydrophobicContact CG-CD1 4.47Å; K172-L191 HydrophobicContact CG-CG 4.25Å |
| 173 | R | 82.1 | Confident | 81.9 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | trans | -80.1 | 125 | 163.9 | -67.5 | -170 | -66.1 | -83.2 | -8.7 | 108.5 | I13 D15 Q188 S189 M190 | I13-R173 PolarHBondContact O-NH1 3.2Å; I13-R173 PolarHBondContact O-NH2 2.65Å; D15-R173 IonicContact OD1-CZ 2.63Å; D15-R173 IonicContact OD1-NE 2.65Å; D15-R173 PolarHBondContact OD1-NE 2.63Å; D15-R173 IonicContact OD1-NH2 2.65Å; D15-R173 PolarHBondContact OD1-NH2 2.78Å; R173-Q188 HydrophobicContact CG-CG 4.07Å; R173-Q188 PolarHBondContact NH1-O 3.14Å; R173-S189 PolarHBondContact N-O 3.4Å; R173-M190 HydrophobicContact CB-CB 3.87Å; R173-M190 HydrophobicContact CB-CG 4.18Å; R173-M190 WeakPolarHBondContact O-CG 3.42Å | ||
| 174 | T | 72.4 | Confident | 80.8 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | trans | -126 | 162.9 | -176.7 | 45.8 | 0 | 0 | 0 | 0 | 110.2 | D144 K172 P176 R177 N178 | D144-T174 WeakPolarHBondContact OD1-CG2 3.36Å; K172-T174 HydrophobicContact CD-CG2 4.3Å; K172-T174 HydrophobicContact CG-CG2 4.09Å; T174-P176 CarbonylContact C-O 3.53Å; T174-P176 VanDerWaalsContact C-O 3.32Å; T174-P176 WeakPolarHBondContact CB-O 2.98Å; T174-P176 CarbonylContact O-C 3.58Å; T174-P176 PolarHBondContact OG1-O 3.1Å; T174-P176 VanDerWaalsContact OG1-O 3.06Å; T174-R177 WeakPolarHBondContact O-CA 3.38Å; T174-N178 PolarHBondContact OG1-N 3.21Å; T174-N178 PolarHBondContact OG1-ND2 2.9Å; T174-N178 VanDerWaalsContact OG1-ND2 3.16Å; T174-N178 PolarHBondContact OG1-OD1 2.79Å | ||
| 175 | S | 68.1 | Low | 80.1 | Confident | 116 Ų | 116 | 49.9 Ų | 49.9 | 81% | 0.811 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -129.2 | 122.3 | 163.6 | -168.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 176 | P | 68.1 | Low | 79 | Confident | 115 Ų | 115 | 48.1 Ų | 48.1 | 75% | 0.747 | 24% | 0.239 | S | C | * | . | S | Bend | cis | -58 | 153.3 | -6.1 | 28.8 | -36.5 | 0 | 0 | 0 | 111.8 | T174 | T174-P176 CarbonylContact C-O 3.53Å; T174-P176 VanDerWaalsContact C-O 3.32Å; T174-P176 WeakPolarHBondContact CB-O 2.98Å; T174-P176 CarbonylContact O-C 3.58Å; T174-P176 PolarHBondContact OG1-O 3.1Å; T174-P176 VanDerWaalsContact OG1-O 3.06Å |
| 177 | R | 60.8 | Low | 78 | Confident | 170 Ų | 170 | 48.1 Ų | 48.1 | 64% | 0.642 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -64.7 | 134.9 | -178.6 | -172.4 | -177.5 | -166.8 | 162.3 | 8 | 109.5 | T174 D179 | T174-R177 WeakPolarHBondContact O-CA 3.38Å; R177-D179 PolarHBondContact O-N 3.41Å |
| 178 | N | 62.5 | Low | 77.2 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 123.9 | 172.6 | -56.9 | -33.6 | 0 | 0 | 0 | 110.5 | D144 T145 K172 T174 Y180 | D144-N178 PolarHBondContact O-ND2 2.79Å; D144-N178 PolarHBondContact O-OD1 2.79Å; T145-N178 WeakPolarHBondContact CA-OD1 3.33Å; K172-N178 PolarHBondContact O-ND2 3.08Å; T174-N178 PolarHBondContact OG1-N 3.21Å; T174-N178 PolarHBondContact OG1-ND2 2.9Å; T174-N178 VanDerWaalsContact OG1-ND2 3.16Å; T174-N178 PolarHBondContact OG1-OD1 2.79Å; N178-Y180 VanDerWaalsContact C-N 3.3Å |
| 179 | D | 67.9 | Low | 76.1 | Confident | 166 Ų | 166 | 50.2 Ų | 50.2 | 89% | 0.888 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -66.9 | -35 | 176.7 | -59.9 | -57 | 0 | 0 | 0 | 111.4 | R177 | R177-D179 PolarHBondContact O-N 3.41Š|
| 180 | Y | 76.1 | Confident | 74.9 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 18% | 0.18 | 27% | 0.266 | C | S | . | . | trans | -75.9 | 136.9 | 178.6 | -168.5 | -93.9 | 0 | 0 | 0 | 112.5 | I143 I149 I153 V166 N178 P182 | I143-Y180 HydrophobicContact CD1-CD1 4.13Å; I143-Y180 HydrophobicContact CD1-CE1 4.08Å; I149-Y180 HydrophobicContact CB-CD1 4.37Å; I149-Y180 HydrophobicContact CB-CE1 4.41Å; I149-Y180 HydrophobicContact CG2-CD1 3.73Å; I149-Y180 HydrophobicContact CG2-CD2 4.33Å; I149-Y180 HydrophobicContact CG2-CE1 3.39Å; I149-Y180 HydrophobicContact CG2-CE2 4.06Å; I149-Y180 HydrophobicContact CG2-CG 4.21Å; I153-Y180 HydrophobicContact CD1-CD2 4.36Å; I153-Y180 HydrophobicContact CD1-CE2 3.41Å; I153-Y180 VanDerWaalsContact CD1-CE2 3.41Å; I153-Y180 WeakPolarHBondContact CD1-OH 3.24Å; V166-Y180 HydrophobicContact CB-CE1 4.45Å; V166-Y180 HydrophobicContact CG2-CE1 4.31Å; V166-Y180 WeakPolarHBondContact CG2-OH 3.16Å; N178-Y180 VanDerWaalsContact C-N 3.3Å; Y180-P182 HydrophobicContact CE1-CB 4.24Å | ||
| 181 | R | 78.7 | Confident | 73.3 | Confident | 165 Ų | 165 | 55 Ų | 55 | 62% | 0.623 | 27% | 0.274 | S | S | * | . | trans | -129.4 | 128.4 | 170.2 | -58 | -176.1 | -171.2 | -178.6 | 6.9 | 109.1 | ||||
| 182 | P | 78.1 | Confident | 71.3 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | trans | -71.4 | 154.2 | 173.3 | 33.4 | -37.5 | 0 | 0 | 0 | 111 | I143 V166 V171 Y180 C184 K185 | I143-P182 HydrophobicContact CD1-CB 3.77Å; I143-P182 HydrophobicContact CD1-CG 3.78Å; V166-P182 HydrophobicContact CB-CB 3.92Å; V166-P182 HydrophobicContact CG1-CB 3.81Å; V171-P182 HydrophobicContact CG2-CG 3.56Å; Y180-P182 HydrophobicContact CE1-CB 4.24Å; P182-C184 VanDerWaalsContact C-N 3.34Å; P182-K185 HydrophobicContact CG-CB 4.01Å; P182-K185 HydrophobicContact CG-CG 4.27Å | ||
| 183 | D | 81.5 | Confident | 69.2 | Low | 32 Ų | 32 | 60.5 Ų | 60.5 | 17% | 0.171 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -64.5 | -39.5 | 173.4 | -52.6 | -98.5 | 0 | 0 | 0 | 111.8 | I6 K165 V166 | I6-D183 HydrophobicContact CB-CB 4.25Å; I6-D183 HydrophobicContact CD1-CB 3.97Å; I6-D183 HydrophobicContact CG1-CB 4.36Å; K165-D183 WeakPolarHBondContact CA-OD2 3.35Å; K165-D183 HydrophobicContact CD-CB 3.98Å; K165-D183 WeakPolarHBondContact CD-OD1 3.44Å; K165-D183 WeakPolarHBondContact CD-OD2 3.35Å; K165-D183 WeakPolarHBondContact CE-OD1 3.46Å; K165-D183 IonicContact NZ-OD1 2.75Å; K165-D183 PolarHBondContact NZ-OD1 3Å; V166-D183 PolarHBondContact N-OD2 3.06Å; V166-D183 PolarHBondContact O-N 2.98Å |
| 184 | C | 71.8 | Confident | 66.9 | Low | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.9 | 179.5 | -13.5 | 0 | 0 | 0 | 0 | 109.5 | I6 M52 I56 V166 A167 S168 P182 | I6-C184 WeakPolarHBondContact CD1-SG 3.49Å; I6-C184 HydrophobicContact CG2-CB 4.3Å; M52-C184 HydrophobicContact CE-CB 3.57Å; M52-C184 HydrophobicContact CG-CB 4.22Å; M52-C184 HydrophobicContact SD-CB 4.03Å; I56-C184 HydrophobicContact CD1-CB 4.49Å; I56-C184 HydrophobicContact CG1-CB 4.48Å; V166-C184 PolarHBondContact O-N 2.78Å; V166-C184 PolarHBondContact O-SG 3.42Å; V166-C184 VanDerWaalsContact O-SG 3.4Å; A167-C184 WeakPolarHBondContact CA-O 2.71Å; A167-C184 HydrophobicContact CB-CB 4.02Å; S168-C184 PolarHBondContact N-O 2.78Å; P182-C184 VanDerWaalsContact C-N 3.34Å |
| 185 | K | 79.9 | Confident | 64.9 | Low | 28 Ų | 28 | 76.1 Ų | 76.1 | 12% | 0.122 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 131.5 | 174.6 | 34.9 | 167.5 | 179.6 | 125.2 | 0 | 112.4 | A8 C10 M52 S168 V171 P182 | A8-K185 WeakPolarHBondContact O-CE 3.32Å; A8-K185 PolarHBondContact O-NZ 3.02Å; C10-K185 HydrophobicContact CB-CB 4.29Å; C10-K185 HydrophobicContact CB-CD 3.97Å; C10-K185 HydrophobicContact CB-CG 3.91Å; C10-K185 VanDerWaalsContact CB-O 3.28Å; C10-K185 WeakPolarHBondContact CB-O 3.37Å; C10-K185 PolarHBondContact SG-NZ 2.86Å; M52-K185 VanDerWaalsContact CE-N 3.27Å; S168-K185 VanDerWaalsContact O-CA 3.28Å; S168-K185 WeakPolarHBondContact O-CA 3.22Å; V171-K185 HydrophobicContact CG2-CB 3.86Å; V171-K185 HydrophobicContact CG2-CD 3.99Å; V171-K185 HydrophobicContact CG2-CG 4.47Å; P182-K185 HydrophobicContact CG-CB 4.01Å; P182-K185 HydrophobicContact CG-CG 4.27Å |
| 186 | I | 71.3 | Confident | 63.1 | Low | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -62.5 | 176.4 | -66.5 | -178.1 | 0 | 0 | 0 | 108.7 | C10 V11 R48 L49 M52 F80 S168 L169 | C10-I186 WeakPolarHBondContact CB-O 3.47Å; V11-I186 PolarHBondContact N-O 3.34Å; R48-I186 HydrophobicContact CB-CG2 3.89Å; R48-I186 HydrophobicContact CG-CB 4.07Å; R48-I186 HydrophobicContact CG-CG1 4.36Å; R48-I186 HydrophobicContact CG-CG2 3.62Å; R48-I186 WeakPolarHBondContact CG-O 3.37Å; L49-I186 HydrophobicContact CB-CD1 3.75Å; L49-I186 HydrophobicContact CD1-CD1 4.14Å; L49-I186 HydrophobicContact CG-CD1 4.2Å; M52-I186 HydrophobicContact CE-CB 4.39Å; M52-I186 HydrophobicContact CE-CD1 4.5Å; M52-I186 HydrophobicContact CE-CG1 3.47Å; M52-I186 VanDerWaalsContact CE-CG1 3.47Å; M52-I186 HydrophobicContact SD-CD1 4.25Å; M52-I186 HydrophobicContact SD-CG1 3.82Å; F80-I186 HydrophobicContact CD2-CD1 4.14Å; F80-I186 HydrophobicContact CE2-CD1 3.49Å; F80-I186 VanDerWaalsContact CE2-CD1 3.49Å; F80-I186 HydrophobicContact CE2-CG1 4.42Å; F80-I186 HydrophobicContact CZ-CD1 4.11Å; S168-I186 PolarHBondContact O-N 2.77Å; L169-I186 HydrophobicContact CD1-CB 4.23Å; L169-I186 HydrophobicContact CD1-CD1 3.76Å; L169-I186 HydrophobicContact CD1-CG2 4.14Å; L169-I186 WeakPolarHBondContact O-CB 3.48Å |
| 187 | I | 75.3 | Confident | 61.2 | Low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.9 | -176.2 | -79.5 | 155.8 | 0 | 0 | 0 | 112.3 | V11 I13 I40 M44 L169 L170 V171 | V11-I187 HydrophobicContact CB-CG1 3.7Å; V11-I187 HydrophobicContact CG1-CG1 4.02Å; V11-I187 CarbonylContact O-C 3.59Å; V11-I187 VanDerWaalsContact O-CA 3.3Å; V11-I187 WeakPolarHBondContact O-CA 3.38Å; I13-I187 HydrophobicContact CD1-CG2 3.64Å; I13-I187 HydrophobicContact CG1-CG2 4.04Å; I40-I187 HydrophobicContact CB-CD1 4.43Å; I40-I187 HydrophobicContact CD1-CB 4.29Å; I40-I187 HydrophobicContact CD1-CD1 3.73Å; I40-I187 HydrophobicContact CD1-CG2 3.74Å; I40-I187 HydrophobicContact CG1-CD1 4.16Å; I40-I187 HydrophobicContact CG2-CD1 3.41Å; I40-I187 VanDerWaalsContact CG2-CD1 3.41Å; M44-I187 HydrophobicContact CG-CD1 4.4Å; M44-I187 HydrophobicContact SD-CD1 4.33Å; L169-I187 PolarHBondContact O-N 2.87Å; L170-I187 WeakPolarHBondContact CA-O 2.59Å; L170-I187 HydrophobicContact CD2-CB 4.22Å; L170-I187 HydrophobicContact CD2-CG2 4.18Å; V171-I187 PolarHBondContact N-O 3.14Å |
| 188 | Q | 77.3 | Confident | 59.6 | Low | 35 Ų | 35 | 73.2 Ų | 73.2 | 16% | 0.164 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.1 | 172.1 | -174.9 | 164.4 | 1 | 0 | 0 | 110.7 | V11 I13 V171 R173 | V11-Q188 PolarHBondContact O-N 3.29Å; I13-Q188 PolarHBondContact N-O 2.86Å; V171-Q188 HydrophobicContact CB-CB 4.43Å; V171-Q188 HydrophobicContact CB-CG 4.21Å; V171-Q188 HydrophobicContact CG1-CG 4.39Å; V171-Q188 VanDerWaalsContact O-CA 3.3Å; V171-Q188 WeakPolarHBondContact O-CA 3.39Å; V171-Q188 WeakPolarHBondContact O-CG 3.34Å; R173-Q188 HydrophobicContact CG-CG 4.07Å; R173-Q188 PolarHBondContact NH1-O 3.14Å |
| 189 | S | 70.3 | Confident | 58.1 | Low | 9 Ų | 9 | 79 Ų | 79 | 6% | 0.063 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 146.7 | -172.2 | -172.3 | 0 | 0 | 0 | 0 | 113.6 | V171 K172 R173 L191 | V171-S189 PolarHBondContact O-N 2.69Å; V171-S189 VanDerWaalsContact O-N 3.11Å; K172-S189 CarbonylContact C-O 3.55Å; K172-S189 VanDerWaalsContact CA-O 3.3Å; K172-S189 WeakPolarHBondContact CA-O 3.46Å; R173-S189 PolarHBondContact N-O 3.4Å; S189-L191 PolarHBondContact O-N 2.77Å |
| 190 | M | 65.5 | Low | 56.2 | Low | 70 Ų | 70 | 77.5 Ų | 77.5 | 35% | 0.345 | 39% | 0.394 | S | S | . | . | trans | -85.6 | 86.7 | 173.3 | -165.7 | -164.6 | -168.9 | 0 | 0 | 110.6 | D15 R173 T192 | D15-M190 WeakPolarHBondContact OD1-CB 3.25Å; R173-M190 HydrophobicContact CB-CB 3.87Å; R173-M190 HydrophobicContact CB-CG 4.18Å; R173-M190 WeakPolarHBondContact O-CG 3.42Å; M190-T192 VanDerWaalsContact C-N 3.28Å; M190-T192 HydrophobicContact CE-CG2 3.79Å; M190-T192 HydrophobicContact CG-CG2 4.02Å; M190-T192 PolarHBondContact O-N 2.79Å; M190-T192 HydrophobicContact SD-CG2 3.88Å | ||
| 191 | L | 57.9 | Low | 54.3 | Low | 35 Ų | 35 | 81.3 Ų | 81.3 | 18% | 0.183 | 42% | 0.416 | C | S | . | . | trans | -72.4 | 82 | 179.9 | -52.8 | -178.8 | 0 | 0 | 0 | 110.7 | L39 I142 K172 S189 I207 L221 | L39-L191 HydrophobicContact CD2-CD2 3.35Å; I142-L191 HydrophobicContact CD1-CD1 3.69Å; K172-L191 HydrophobicContact CD-CB 4.06Å; K172-L191 HydrophobicContact CD-CD1 4.5Å; K172-L191 HydrophobicContact CG-CB 4.06Å; K172-L191 HydrophobicContact CG-CD1 4.47Å; K172-L191 HydrophobicContact CG-CG 4.25Å; S189-L191 PolarHBondContact O-N 2.77Å; L191-I207 HydrophobicContact CD1-CD1 3.94Å; L191-I207 HydrophobicContact CD2-CD1 3.95Å; L191-L221 HydrophobicContact CD1-CD1 4.27Å; L191-L221 HydrophobicContact CD1-CD2 4.33Å | ||
| 192 | T | 46.8 | Very low | 52.3 | Low | 76 Ų | 76 | 75.8 Ų | 75.8 | 47% | 0.466 | 41% | 0.411 | S | S | . | . | trans | -89.4 | 109.2 | 175.4 | 40.6 | 0 | 0 | 0 | 0 | 111 | M190 R194 | M190-T192 VanDerWaalsContact C-N 3.28Å; M190-T192 HydrophobicContact CE-CG2 3.79Å; M190-T192 HydrophobicContact CG-CG2 4.02Å; M190-T192 PolarHBondContact O-N 2.79Å; M190-T192 HydrophobicContact SD-CG2 3.88Å; T192-R194 PolarHBondContact O-N 2.94Å | ||
| 193 | Y | 40.1 | Very low | 50.3 | Low | 94 Ų | 94 | 81.9 Ų | 81.9 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | trans | -70.6 | 107.7 | 174.1 | -173.2 | -90.2 | 0 | 0 | 0 | 110.7 | R195 G202 R203 P219 | Y193-R195 HydrophobicContact CD1-CG 4.24Å; Y193-R195 HydrophobicContact CE1-CG 3.68Å; Y193-G202 WeakPolarHBondContact OH-CA 3.39Å; Y193-R203 WeakPolarHBondContact CE2-O 3.48Å; Y193-R203 PolarHBondContact OH-O 3.37Å; Y193-P219 HydrophobicContact CD2-CB 4.42Å; Y193-P219 HydrophobicContact CE2-CB 4.35Å | ||
| 194 | R | 34.4 | Very low | 48.6 | Very low | 191 Ų | 191 | 80.7 Ų | 80.7 | 72% | 0.721 | 43% | 0.427 | S | S | * | . | trans | -89.1 | 108.6 | 172.6 | -80.6 | -170 | 169.2 | -151.4 | -5.4 | 110.6 | T192 S196 | T192-R194 PolarHBondContact O-N 2.94Å; R194-S196 PolarHBondContact O-N 3.02Å; R194-S196 VanDerWaalsContact O-N 3.14Å | ||
| 195 | R | 29.7 | Very low | 47.1 | Very low | 224 Ų | 224 | 81.7 Ų | 81.7 | 85% | 0.845 | 43% | 0.434 | S | S | * | . | trans | -64.9 | 109.8 | 158.9 | -80.1 | -170.9 | 167.4 | 169.7 | -3.7 | 109 | Y193 | Y193-R195 HydrophobicContact CD1-CG 4.24Å; Y193-R195 HydrophobicContact CE1-CG 3.68Å | ||
| 196 | S | 31.1 | Very low | 45.5 | Very low | 109 Ų | 109 | 80.5 Ų | 80.5 | 76% | 0.762 | 43% | 0.428 | S | S | * | . | trans | -71.5 | 158.5 | 157.3 | -160.3 | 0 | 0 | 0 | 0 | 109.7 | R194 | R194-S196 PolarHBondContact O-N 3.02Å; R194-S196 VanDerWaalsContact O-N 3.14Å | ||
| 197 | G | 28.9 | Very low | 44.4 | Very low | 63 Ų | 63 | 80.5 Ų | 80.5 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -75.5 | 150.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I199 | G197-I199 PolarHBondContact O-N 3.38Š|
| 198 | N | 26.6 | Very low | 42.5 | Very low | 167 Ų | 167 | 81.5 Ų | 81.5 | 89% | 0.893 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 45.5 | 57 | 156.7 | -65.4 | 1.6 | 0 | 0 | 0 | 118.4 | ||
| 199 | I | 30.3 | Very low | 40.6 | Very low | 141 Ų | 141 | 80.5 Ų | 80.5 | 72% | 0.723 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -159.4 | 143 | 138.5 | -100.2 | 146.2 | 0 | 0 | 0 | 108.4 | G197 I201 | G197-I199 PolarHBondContact O-N 3.38Å; I199-I201 HydrophobicContact CG2-CG1 4.33Å; I199-I201 PolarHBondContact O-N 3.1Å |
| 200 | S | 27.9 | Very low | 38.7 | Very low | 135 Ų | 135 | 82 Ų | 82 | 94% | 0.944 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -79.9 | 34.1 | -164.8 | -54.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 201 | I | 36.8 | Very low | 37 | Very low | 126 Ų | 126 | 82.1 Ų | 82.1 | 65% | 0.646 | 45% | 0.445 | S | S | * | . | trans | -114.6 | 118.4 | 176.4 | -58.3 | 178.7 | 0 | 0 | 0 | 109 | I199 R203 | I199-I201 HydrophobicContact CG2-CG1 4.33Å; I199-I201 PolarHBondContact O-N 3.1Å; I201-R203 PolarHBondContact O-N 3.21Å | ||
| 202 | G | 36.4 | Very low | 35.5 | Very low | 49 Ų | 49 | 91.7 Ų | 91.7 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | trans | -78 | 82.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y193 S204 | Y193-G202 WeakPolarHBondContact OH-CA 3.39Å; G202-S204 PolarHBondContact O-OG 3Å; G202-S204 VanDerWaalsContact O-OG 3.1Å | ||
| 203 | R | 36.3 | Very low | 34.7 | Very low | 133 Ų | 133 | 92.2 Ų | 92.2 | 50% | 0.502 | 48% | 0.481 | S | S | . | . | trans | -49.6 | 143 | 167.4 | -61.6 | -167.5 | 178.2 | -163.8 | -5.9 | 111 | D36 Y193 I201 | D36-R203 WeakPolarHBondContact OD1-CD 3.36Å; D36-R203 IonicContact OD1-CZ 3.71Å; D36-R203 IonicContact OD1-NE 3.86Å; D36-R203 IonicContact OD1-NH1 2.77Å; D36-R203 PolarHBondContact OD1-NH1 3.28Å; D36-R203 VanDerWaalsContact OD2-CB 3.32Å; D36-R203 WeakPolarHBondContact OD2-CB 3.45Å; Y193-R203 WeakPolarHBondContact CE2-O 3.48Å; Y193-R203 PolarHBondContact OH-O 3.37Å; I201-R203 PolarHBondContact O-N 3.21Å | ||
| 204 | S | 45.3 | Very low | 34 | Very low | 6 Ų | 6 | 93.1 Ų | 93.1 | 4% | 0.042 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 145.2 | -171 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | C34 G202 L220 | C34-S204 PolarHBondContact O-N 2.76Å; G202-S204 PolarHBondContact O-OG 3Å; G202-S204 VanDerWaalsContact O-OG 3.1Å; S204-L220 WeakPolarHBondContact CB-O 3.16Å; S204-L220 PolarHBondContact OG-O 3.01Å |
| 205 | C | 41.3 | Very low | 33.5 | Very low | 23 Ų | 23 | 93.8 Ų | 93.8 | 16% | 0.155 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 136.7 | 180 | -45.2 | 0 | 0 | 0 | 0 | 110.4 | Y37 | Y37-C205 HydrophobicContact CE2-CB 3.91Å; Y37-C205 VanDerWaalsContact CZ-SG 3.58Å; Y37-C205 PolarHBondContact OH-SG 2.94Å |
| 206 | I | 46 | Very low | 33.4 | Very low | 3 Ų | 3 | 89.2 Ų | 89.2 | 2% | 0.015 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 137.5 | 178.4 | -56.3 | 164.1 | 0 | 0 | 0 | 110.7 | T22 T27 L35 Y37 V38 L39 C208 L224 | T22-I206 HydrophobicContact CG2-CD1 4.26Å; T27-I206 HydrophobicContact CG2-CD1 4.49Å; L35-I206 HydrophobicContact CB-CD1 4.05Å; L35-I206 HydrophobicContact CB-CG1 4.43Å; L35-I206 HydrophobicContact CD1-CD1 3.9Å; L35-I206 HydrophobicContact CD2-CD1 3.91Å; L35-I206 HydrophobicContact CD2-CG1 3.74Å; L35-I206 HydrophobicContact CG-CD1 4.11Å; L35-I206 HydrophobicContact CG-CG1 4.44Å; Y37-I206 PolarHBondContact O-N 3.03Å; V38-I206 HydrophobicContact CG2-CD1 3.99Å; L39-I206 VanDerWaalsContact CB-O 3.26Å; L39-I206 WeakPolarHBondContact CB-O 3.35Å; L39-I206 PolarHBondContact N-O 3.34Å; L39-I206 VanDerWaalsContact N-O 3.13Å; I206-C208 HydrophobicContact CG2-CB 4.35Å; I206-L224 HydrophobicContact CD1-CD1 4.08Å; I206-L224 HydrophobicContact CG1-CD1 4.36Å; I206-L224 HydrophobicContact CG1-CG 4.34Å; I206-L224 HydrophobicContact CG2-CB 4.05Å |
| 207 | I | 49.3 | Very low | 33.3 | Very low | 0 Ų | 0 | 93.1 Ų | 93.1 | 0% | 0 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.2 | 150.2 | -68.2 | 176.7 | 0 | 0 | 0 | 108.2 | L39 I40 L170 L191 I209 L221 F223 | L39-I207 HydrophobicContact CB-CG1 4.26Å; L39-I207 HydrophobicContact CD2-CD1 3.9Å; L39-I207 HydrophobicContact CD2-CG1 4.03Å; I40-I207 HydrophobicContact CB-CG2 4.4Å; I40-I207 HydrophobicContact CD1-CB 4.36Å; I40-I207 HydrophobicContact CD1-CD1 3.74Å; I40-I207 HydrophobicContact CD1-CG1 3.79Å; I40-I207 HydrophobicContact CD1-CG2 3.76Å; I40-I207 HydrophobicContact CG1-CG1 4.19Å; I40-I207 HydrophobicContact CG1-CG2 4.44Å; L170-I207 HydrophobicContact CD1-CB 4.34Å; L170-I207 HydrophobicContact CD1-CD1 3.39Å; L170-I207 HydrophobicContact CD1-CG1 4.42Å; L170-I207 HydrophobicContact CD1-CG2 3.99Å; L170-I207 HydrophobicContact CD2-CD1 3.8Å; L170-I207 HydrophobicContact CD2-CG2 4.16Å; L170-I207 HydrophobicContact CG-CD1 4.21Å; L191-I207 HydrophobicContact CD1-CD1 3.94Å; L191-I207 HydrophobicContact CD2-CD1 3.95Å; I207-I209 PolarHBondContact O-N 2.8Å; I207-L221 HydrophobicContact CB-CD1 4.46Å; I207-L221 HydrophobicContact CB-CD2 4.31Å; I207-L221 HydrophobicContact CB-CG 4.4Å; I207-L221 HydrophobicContact CD1-CD1 3.95Å; I207-L221 HydrophobicContact CD1-CD2 3.93Å; I207-L221 HydrophobicContact CD1-CG 4.42Å; I207-L221 HydrophobicContact CG1-CD1 4.07Å; I207-L221 HydrophobicContact CG1-CD2 4.43Å; I207-F223 HydrophobicContact CB-CD1 4.16Å; I207-F223 HydrophobicContact CB-CE1 4.21Å; I207-F223 HydrophobicContact CG2-CD1 4.1Å; I207-F223 HydrophobicContact CG2-CE1 4Å; I207-F223 WeakPolarHBondContact O-CA 3.4Å; I207-F223 WeakPolarHBondContact O-CB 3.15Å; I207-F223 WeakPolarHBondContact O-CD1 3.43Å |
| 208 | C | 34.2 | Very low | 33.6 | Very low | 22 Ų | 22 | 95 Ų | 95 | 15% | 0.149 | 50% | 0.497 | C | S | . | . | trans | -86.8 | 74.9 | -155 | -169.3 | 0 | 0 | 0 | 0 | 115.2 | I40 N42 I45 I206 L224 Y225 | I40-C208 VanDerWaalsContact O-CB 3.27Å; I40-C208 WeakPolarHBondContact O-CB 3.5Å; N42-C208 PolarHBondContact ND2-O 3.45Å; I45-C208 HydrophobicContact CD1-CB 4.44Å; I206-C208 HydrophobicContact CG2-CB 4.35Å; C208-L224 PolarHBondContact SG-O 3.29Å; C208-Y225 WeakPolarHBondContact O-CE2 3.2Å | ||
| 209 | I | 37.4 | Very low | 33.9 | Very low | 14 Ų | 14 | 91.3 Ų | 91.3 | 7% | 0.072 | 48% | 0.483 | C | S | . | . | trans | -144.9 | 87.1 | 172 | -50.2 | -163.6 | 0 | 0 | 0 | 113.1 | I45 K79 L169 I207 F223 | I45-I209 HydrophobicContact CD1-CD1 4.14Å; I45-I209 HydrophobicContact CD1-CG1 3.75Å; I45-I209 HydrophobicContact CG2-CD1 3.79Å; I45-I209 HydrophobicContact CG2-CG1 4.41Å; K79-I209 HydrophobicContact CB-CG2 3.62Å; K79-I209 HydrophobicContact CG-CG2 3.28Å; L169-I209 HydrophobicContact CD1-CD1 3.59Å; L169-I209 HydrophobicContact CD2-CD1 3.37Å; L169-I209 HydrophobicContact CD2-CG1 4.12Å; L169-I209 HydrophobicContact CG-CD1 4.08Å; I207-I209 PolarHBondContact O-N 2.8Å; I209-F223 HydrophobicContact CB-CD1 4.09Å; I209-F223 WeakPolarHBondContact O-CB 3.15Å | ||
| 210 | T | 30.8 | Very low | 34.1 | Very low | 42 Ų | 42 | 88.9 Ų | 88.9 | 26% | 0.258 | 47% | 0.47 | S | S | . | . | 115.9 | 1.8 | 57.1 | -72.4 | 0 | 0 | 0 | 0 | 109.4 | F223 Y225 | T210-F223 PolarHBondContact N-O 3.05Å; T210-Y225 VanDerWaalsContact CA-CD1 3.47Å; T210-Y225 WeakPolarHBondContact CA-OH 3.47Å; T210-Y225 WeakPolarHBondContact CB-OH 3.3Å; T210-Y225 HydrophobicContact CG2-CD1 2.3Å; T210-Y225 HydrophobicContact CG2-CD2 2.3Å; T210-Y225 HydrophobicContact CG2-CE1 2.29Å; T210-Y225 HydrophobicContact CG2-CE2 2.31Å; T210-Y225 HydrophobicContact CG2-CG 2.3Å; T210-Y225 WeakPolarHBondContact CG2-OH 3.14Å; T210-Y225 WeakPolarHBondContact O-CD1 3.39Å; T210-Y225 WeakPolarHBondContact O-CE1 3.45Å; T210-Y225 WeakPolarHBondContact OG1-CB 3.32Å; T210-Y225 WeakPolarHBondContact OG1-CD1 3.3Å; T210-Y225 WeakPolarHBondContact OG1-CD2 3.23Å; T210-Y225 VanDerWaalsContact OG1-CE1 3.22Å; T210-Y225 WeakPolarHBondContact OG1-CE1 3.38Å; T210-Y225 PolarHBondContact OG1-N 3.35Å | |||
| 211 | T | 29 | Very low | 34.6 | Very low | 71 Ų | 71 | 84.3 Ų | 84.3 | 44% | 0.436 | 44% | 0.435 | S | S | . | . | trans | -158 | 161.3 | 174.2 | 11.4 | 0 | 0 | 0 | 0 | 117.6 | F78 K79 | F78-T211 HydrophobicContact CE1-CG2 4.38Å; F78-T211 WeakPolarHBondContact CE1-OG1 3.18Å; F78-T211 HydrophobicContact CE2-CG2 4.44Å; F78-T211 VanDerWaalsContact CZ-CB 3.44Å; F78-T211 HydrophobicContact CZ-CG2 3.64Å; F78-T211 VanDerWaalsContact CZ-OG1 3.24Å; F78-T211 WeakPolarHBondContact CZ-OG1 3.43Å; K79-T211 WeakPolarHBondContact CB-OG1 3.5Å | ||
| 212 | R | 27.1 | Very low | 34.5 | Very low | 237 Ų | 237 | 79.8 Ų | 79.8 | 89% | 0.894 | 41% | 0.412 | S | S | * | . | trans | -67.3 | 121.2 | -174.4 | -57.5 | 170.8 | 178.3 | 172.5 | -1.7 | 115.1 | ||||
| 213 | V | 28.9 | Very low | 34.6 | Very low | 87 Ų | 87 | 79.8 Ų | 79.8 | 53% | 0.527 | 40% | 0.398 | S | S | . | . | trans | -142.1 | 141.3 | 144.6 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | K75 | K75-V213 HydrophobicContact CB-CG2 4.39Å; K75-V213 HydrophobicContact CD-CG1 3.87Å; K75-V213 HydrophobicContact CD-CG2 3.8Å | ||
| 214 | C | 25.5 | Very low | 34.4 | Very low | 113 Ų | 113 | 73.7 Ų | 73.7 | 76% | 0.764 | 38% | 0.376 | S | S | * | . | trans | -79 | 151.6 | -174.5 | -58.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 215 | K | 25 | Very low | 33.9 | Very low | 204 Ų | 204 | 77.5 Ų | 77.5 | 89% | 0.887 | 39% | 0.39 | S | S | * | . | trans | 29.8 | 110.8 | 149.5 | -64.3 | -174.5 | 176.7 | -173.8 | 0 | 117.8 | ||||
| 216 | L | 27.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 80.2 Ų | 80.2 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | trans | -155.2 | 152.9 | 155.7 | -110.4 | 157.3 | 0 | 0 | 0 | 111.2 | H218 | L216-H218 VanDerWaalsContact C-N 3.31Å; L216-H218 PolarHBondContact O-N 2.96Å | ||
| 217 | H | 28.9 | Very low | 32.8 | Very low | 192 Ų | 192 | 84.3 Ų | 84.3 | 89% | 0.889 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -90.8 | 29.6 | -159.8 | -128.8 | -83 | 0 | 0 | 0 | 115.1 | ||
| 218 | H | 33.6 | Very low | 31.9 | Very low | 101 Ų | 101 | 88.9 Ų | 88.9 | 47% | 0.468 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -118.6 | 166.4 | -176.3 | -100.4 | -98.5 | 0 | 0 | 0 | 111.3 | L216 L220 | L216-H218 VanDerWaalsContact C-N 3.31Å; L216-H218 PolarHBondContact O-N 2.96Å; H218-L220 VanDerWaalsContact C-N 3.27Å; H218-L220 PolarHBondContact O-N 3.2Å |
| 219 | P | 33.5 | Very low | 31.8 | Very low | 91 Ų | 91 | 92.9 Ų | 92.9 | 59% | 0.591 | 46% | 0.463 | S | S | * | . | trans | -69.9 | 84.9 | 176.6 | 30.2 | -34.8 | 0 | 0 | 0 | 110 | Y193 L221 | Y193-P219 HydrophobicContact CD2-CB 4.42Å; Y193-P219 HydrophobicContact CE2-CB 4.35Å; P219-L221 PolarHBondContact O-N 2.9Å | ||
| 220 | L | 35 | Very low | 31.4 | Very low | 89 Ų | 89 | 97.8 Ų | 97.8 | 47% | 0.466 | 49% | 0.487 | S | S | . | . | trans | -61.9 | 129.9 | 167.8 | -93.3 | 71.1 | 0 | 0 | 0 | 108.4 | S204 H218 I222 | S204-L220 WeakPolarHBondContact CB-O 3.16Å; S204-L220 PolarHBondContact OG-O 3.01Å; H218-L220 VanDerWaalsContact C-N 3.27Å; H218-L220 PolarHBondContact O-N 3.2Å; L220-I222 VanDerWaalsContact C-N 3.31Å; L220-I222 HydrophobicContact CB-CG1 4.19Å; L220-I222 PolarHBondContact O-N 3.07Å | ||
| 221 | L | 38.6 | Very low | 31.5 | Very low | 40 Ų | 40 | 101.5 Ų | 101.5 | 21% | 0.209 | 50% | 0.502 | C | S | . | . | trans | -61.6 | 101.9 | 149.1 | -172.9 | 67.8 | 0 | 0 | 0 | 105.8 | I142 L170 L191 I207 P219 F223 | I142-L221 HydrophobicContact CD1-CD2 3.95Å; L170-L221 HydrophobicContact CD1-CD2 3.58Å; L191-L221 HydrophobicContact CD1-CD1 4.27Å; L191-L221 HydrophobicContact CD1-CD2 4.33Å; I207-L221 HydrophobicContact CB-CD1 4.46Å; I207-L221 HydrophobicContact CB-CD2 4.31Å; I207-L221 HydrophobicContact CB-CG 4.4Å; I207-L221 HydrophobicContact CD1-CD1 3.95Å; I207-L221 HydrophobicContact CD1-CD2 3.93Å; I207-L221 HydrophobicContact CD1-CG 4.42Å; I207-L221 HydrophobicContact CG1-CD1 4.07Å; I207-L221 HydrophobicContact CG1-CD2 4.43Å; P219-L221 PolarHBondContact O-N 2.9Å; L221-F223 HydrophobicContact CB-CD2 4.46Å; L221-F223 HydrophobicContact CB-CE2 4.16Å; L221-F223 HydrophobicContact CD2-CE1 3.91Å; L221-F223 HydrophobicContact CD2-CE2 3.8Å; L221-F223 HydrophobicContact CD2-CZ 3.47Å; L221-F223 VanDerWaalsContact CD2-CZ 3.47Å; L221-F223 HydrophobicContact CG-CD2 4.44Å; L221-F223 HydrophobicContact CG-CE2 4.15Å; L221-F223 HydrophobicContact CG-CZ 4.23Å; L221-F223 WeakPolarHBondContact O-CD2 3.35Å; L221-F223 PolarHBondContact O-N 3.36Å | ||
| 222 | I | 35.4 | Very low | 31.7 | Very low | 31 Ų | 31 | 103.7 Ų | 103.7 | 16% | 0.159 | 51% | 0.507 | C | S | . | . | B | Isolated β-bridge | trans | -75.9 | 98.6 | -171.9 | -60.2 | -178.3 | 0 | 0 | 0 | 107.7 | Y31 C34 L220 L224 | Y31-I222 HydrophobicContact CD1-CG2 4.5Å; C34-I222 HydrophobicContact CB-CD1 4.06Å; L220-I222 VanDerWaalsContact C-N 3.31Å; L220-I222 HydrophobicContact CB-CG1 4.19Å; L220-I222 PolarHBondContact O-N 3.07Å; I222-L224 HydrophobicContact CG2-CD2 3.42Å; I222-L224 VanDerWaalsContact CG2-CD2 3.42Å; I222-L224 HydrophobicContact CG2-CG 3.8Å; I222-L224 PolarHBondContact O-N 2.93Å |
| 223 | F | 38.3 | Very low | 32 | Very low | 48 Ų | 48 | 93.5 Ų | 93.5 | 21% | 0.211 | 48% | 0.477 | C | S | . | . | trans | -81.5 | 86.9 | -179.5 | -63 | -98.9 | 0 | 0 | 0 | 112.4 | D141 L169 L170 I207 I209 T210 L221 | D141-F223 HydrophobicContact CB-CZ 4.11Å; D141-F223 WeakPolarHBondContact OD2-CE2 3.44Å; D141-F223 WeakPolarHBondContact OD2-CZ 3Å; L169-F223 HydrophobicContact CD2-CE1 4.02Å; L170-F223 HydrophobicContact CD1-CE1 4.07Å; L170-F223 HydrophobicContact CD1-CZ 4.21Å; I207-F223 HydrophobicContact CB-CD1 4.16Å; I207-F223 HydrophobicContact CB-CE1 4.21Å; I207-F223 HydrophobicContact CG2-CD1 4.1Å; I207-F223 HydrophobicContact CG2-CE1 4Å; I207-F223 WeakPolarHBondContact O-CA 3.4Å; I207-F223 WeakPolarHBondContact O-CB 3.15Å; I207-F223 WeakPolarHBondContact O-CD1 3.43Å; I209-F223 HydrophobicContact CB-CD1 4.09Å; I209-F223 WeakPolarHBondContact O-CB 3.15Å; T210-F223 PolarHBondContact N-O 3.05Å; L221-F223 HydrophobicContact CB-CD2 4.46Å; L221-F223 HydrophobicContact CB-CE2 4.16Å; L221-F223 HydrophobicContact CD2-CE1 3.91Å; L221-F223 HydrophobicContact CD2-CE2 3.8Å; L221-F223 HydrophobicContact CD2-CZ 3.47Å; L221-F223 VanDerWaalsContact CD2-CZ 3.47Å; L221-F223 HydrophobicContact CG-CD2 4.44Å; L221-F223 HydrophobicContact CG-CE2 4.15Å; L221-F223 HydrophobicContact CG-CZ 4.23Å; L221-F223 WeakPolarHBondContact O-CD2 3.35Å; L221-F223 PolarHBondContact O-N 3.36Å | ||
| 224 | L | 31.2 | Very low | 32.3 | Very low | 5 Ų | 5 | 94 Ų | 94 | 3% | 0.026 | 47% | 0.473 | C | S | . | . | trans | -82.2 | 143.9 | -175 | -74.6 | -158.2 | 0 | 0 | 0 | 116.1 | Y31 L35 I206 C208 I222 | Y31-L224 HydrophobicContact CD1-CD2 3.68Å; Y31-L224 HydrophobicContact CD2-CD1 4.14Å; Y31-L224 HydrophobicContact CD2-CD2 3.34Å; Y31-L224 HydrophobicContact CD2-CG 4.41Å; Y31-L224 HydrophobicContact CE1-CD2 3.88Å; Y31-L224 HydrophobicContact CE2-CD2 3.57Å; Y31-L224 HydrophobicContact CG-CD1 4.04Å; Y31-L224 HydrophobicContact CG-CD2 3.39Å; Y31-L224 HydrophobicContact CG-CG 4.37Å; L35-L224 HydrophobicContact CD1-CD1 3.34Å; L35-L224 HydrophobicContact CD2-CD1 3.5Å; L35-L224 HydrophobicContact CD2-CG 4.13Å; L35-L224 HydrophobicContact CG-CD1 4.03Å; I206-L224 HydrophobicContact CD1-CD1 4.08Å; I206-L224 HydrophobicContact CG1-CD1 4.36Å; I206-L224 HydrophobicContact CG1-CG 4.34Å; I206-L224 HydrophobicContact CG2-CB 4.05Å; C208-L224 PolarHBondContact SG-O 3.29Å; I222-L224 HydrophobicContact CG2-CD2 3.42Å; I222-L224 VanDerWaalsContact CG2-CD2 3.42Å; I222-L224 HydrophobicContact CG2-CG 3.8Å; I222-L224 PolarHBondContact O-N 2.93Å | ||
| 225 | Y | 34.5 | Very low | 32.9 | Very low | 86 Ų | 86 | 92.3 Ų | 92.3 | 34% | 0.337 | 45% | 0.447 | S | S | . | . | -111.1 | 0 | 122.2 | -46.8 | 139.2 | 0 | 0 | 0 | 104.9 | S28 K79 C208 T210 | S28-Y225 WeakPolarHBondContact CB-O 3.12Å; S28-Y225 WeakPolarHBondContact CB-OXT 3.48Å; S28-Y225 PolarHBondContact N-OXT 2.84Å; K79-Y225 VanDerWaalsContact CE-OH 3.24Å; K79-Y225 WeakPolarHBondContact CE-OH 3.29Å; C208-Y225 WeakPolarHBondContact O-CE2 3.2Å; T210-Y225 VanDerWaalsContact CA-CD1 3.47Å; T210-Y225 WeakPolarHBondContact CA-OH 3.47Å; T210-Y225 WeakPolarHBondContact CB-OH 3.3Å; T210-Y225 HydrophobicContact CG2-CD1 2.3Å; T210-Y225 HydrophobicContact CG2-CD2 2.3Å; T210-Y225 HydrophobicContact CG2-CE1 2.29Å; T210-Y225 HydrophobicContact CG2-CE2 2.31Å; T210-Y225 HydrophobicContact CG2-CG 2.3Å; T210-Y225 WeakPolarHBondContact CG2-OH 3.14Å; T210-Y225 WeakPolarHBondContact O-CD1 3.39Å; T210-Y225 WeakPolarHBondContact O-CE1 3.45Å; T210-Y225 WeakPolarHBondContact OG1-CB 3.32Å; T210-Y225 WeakPolarHBondContact OG1-CD1 3.3Å; T210-Y225 WeakPolarHBondContact OG1-CD2 3.23Å; T210-Y225 VanDerWaalsContact OG1-CE1 3.22Å; T210-Y225 WeakPolarHBondContact OG1-CE1 3.38Å; T210-Y225 PolarHBondContact OG1-N 3.35Å |
Retrieved 225 of 225 residues in 379.3 ms
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