| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 29.4 | Very low | 251 Ų | 251 | 180.9 Ų | 180.9 | 100% | 1.236 | 89% | 0.893 | S | S | * | * | 0 | 38.5 | 0 | -146.6 | 179.2 | 176.4 | 0 | 0 | 112.9 | |||||
| 2 | A | 30.5 | Very low | 29.1 | Very low | 99 Ų | 99 | 175.3 Ų | 175.3 | 82% | 0.818 | 88% | 0.881 | S | S | * | * | trans | -165 | 50.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | R | 27.3 | Very low | 29.5 | Very low | 244 Ų | 244 | 178.5 Ų | 178.5 | 92% | 0.921 | 89% | 0.886 | S | S | * | * | S | Bend | trans | -160.6 | 29 | 177.1 | -118.6 | 178.5 | -168.6 | -163.7 | 2.7 | 116 | ||
| 4 | F | 26.7 | Very low | 29.4 | Very low | 210 Ų | 210 | 177.4 Ų | 177.4 | 92% | 0.921 | 88% | 0.884 | S | S | * | * | S | Bend | trans | -133.6 | 21.8 | 178.6 | -104.5 | -84.5 | 0 | 0 | 0 | 113.8 | ||
| 5 | L | 30 | Very low | 29.9 | Very low | 179 Ų | 179 | 170.1 Ų | 170.1 | 94% | 0.937 | 87% | 0.871 | S | S | * | * | trans | -121.9 | 55 | -176.7 | -77.5 | 168.8 | 0 | 0 | 0 | 112.4 | ||||
| 6 | S | 28.6 | Very low | 29.9 | Very low | 109 Ų | 109 | 170 Ų | 170 | 76% | 0.762 | 87% | 0.872 | S | S | * | * | trans | -149.8 | 22.6 | 176.5 | 85 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 7 | L | 28.7 | Very low | 30.2 | Very low | 154 Ų | 154 | 170 Ų | 170 | 81% | 0.806 | 87% | 0.873 | S | S | * | * | S | Bend | trans | -129.2 | 39.7 | 178.1 | -76.8 | 172.7 | 0 | 0 | 0 | 114 | ||
| 8 | F | 29 | Very low | 30.5 | Very low | 212 Ų | 212 | 163.8 Ų | 163.8 | 93% | 0.93 | 86% | 0.858 | S | S | * | * | trans | -151.4 | 79.2 | 156 | -81.4 | -74.2 | 0 | 0 | 0 | 108.5 | ||||
| 9 | R | 26.3 | Very low | 30.8 | Very low | 238 Ų | 238 | 168.4 Ų | 168.4 | 90% | 0.898 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 125 | 157.3 | -88.6 | -173.7 | 173.4 | -177.7 | -2.2 | 106.9 | Q11 | R9-Q11 PolarHBondContact O-N 3.22Š|
| 10 | P | 30 | Very low | 31.5 | Very low | 123 Ų | 123 | 168.5 Ų | 168.5 | 80% | 0.799 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 130.2 | 165.4 | 25.1 | -23.9 | 0 | 0 | 0 | 107.7 | ||
| 11 | Q | 27.6 | Very low | 32.1 | Very low | 171 Ų | 171 | 164.7 Ų | 164.7 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 144.6 | 168.7 | -74.7 | -159.9 | -18.6 | 0 | 0 | 109.1 | R9 F13 | R9-Q11 PolarHBondContact O-N 3.22Å; Q11-F13 PolarHBondContact O-N 3.22Å; Q11-F13 VanDerWaalsContact O-N 3.16Å |
| 12 | P | 25.3 | Very low | 32.4 | Very low | 114 Ų | 114 | 158 Ų | 158 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 119.2 | 173.2 | 28 | -32.2 | 0 | 0 | 0 | 108.3 | L14 | P12-L14 VanDerWaalsContact C-N 3.26Å; P12-L14 PolarHBondContact O-N 3.13Å |
| 13 | F | 34.8 | Very low | 33.4 | Very low | 216 Ų | 216 | 158.1 Ų | 158.1 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | trans | -66.6 | 86.4 | 172.1 | -100.1 | -95.7 | 0 | 0 | 0 | 109 | Q11 | Q11-F13 PolarHBondContact O-N 3.22Å; Q11-F13 VanDerWaalsContact O-N 3.16Å | ||
| 14 | L | 28.1 | Very low | 34.5 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -92.4 | 107.9 | 161.9 | -124.2 | 96.9 | 0 | 0 | 0 | 108.2 | P12 | P12-L14 VanDerWaalsContact C-N 3.26Å; P12-L14 PolarHBondContact O-N 3.13Å | ||
| 15 | G | 36.9 | Very low | 35.7 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | 69.9 | 81.4 | 149 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 16 | L | 30.4 | Very low | 37.4 | Very low | 169 Ų | 169 | 141 Ų | 141 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | trans | -137.9 | 71.8 | 145.5 | -103.8 | 148.3 | 0 | 0 | 0 | 107.7 | G18 | L16-G18 PolarHBondContact O-N 3.44Š| ||
| 17 | L | 34.3 | Very low | 39.9 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | trans | -56.1 | 96.9 | 155.1 | -84.3 | 156.7 | 0 | 0 | 0 | 106.1 | R19 | L17-R19 PolarHBondContact O-N 2.69Å; L17-R19 VanDerWaalsContact O-N 3.14Å | ||
| 18 | G | 35.5 | Very low | 42.8 | Very low | 58 Ų | 58 | 134.5 Ų | 134.5 | 60% | 0.598 | 70% | 0.7 | S | S | * | * | trans | -49 | 123.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | L16 R20 | L16-G18 PolarHBondContact O-N 3.44Å; G18-R20 PolarHBondContact O-N 3.46Å | ||
| 19 | R | 36.8 | Very low | 45.7 | Very low | 251 Ų | 251 | 125 Ų | 125 | 95% | 0.947 | 66% | 0.659 | S | S | * | * | trans | -52.9 | 107.3 | 175.3 | -78.8 | -179.7 | 172.5 | -176.5 | -2.2 | 107.2 | L17 N21 | L17-R19 PolarHBondContact O-N 2.69Å; L17-R19 VanDerWaalsContact O-N 3.14Å; R19-N21 PolarHBondContact O-N 3.33Å; R19-N21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | R | 44.2 | Very low | 48.9 | Very low | 171 Ų | 171 | 115.8 Ų | 115.8 | 65% | 0.645 | 63% | 0.628 | S | S | * | * | trans | -52.2 | 123.3 | 170.5 | -73.7 | -176.5 | 175.5 | 178.3 | -3.1 | 107 | G18 P22 | G18-R20 PolarHBondContact O-N 3.46Å; R20-P22 WeakPolarHBondContact O-CD 2.94Å | ||
| 21 | N | 44.9 | Very low | 52 | Low | 89 Ų | 89 | 112.1 Ų | 112.1 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | trans | -62.6 | 121.1 | 176.6 | -146 | -12.1 | 0 | 0 | 0 | 107.1 | R19 T23 F24 | R19-N21 PolarHBondContact O-N 3.33Å; R19-N21 VanDerWaalsContact O-N 3.17Å; N21-T23 PolarHBondContact O-N 3.1Å; N21-F24 HydrophobicContact CB-CD2 3.58Å; N21-F24 HydrophobicContact CB-CE2 3.99Å; N21-F24 PolarHBondContact O-N 3.28Å | ||
| 22 | P | 45 | Very low | 55.2 | Low | 109 Ų | 109 | 105 Ų | 105 | 71% | 0.708 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -19.4 | -169.1 | 19.1 | -30.6 | 0 | 0 | 0 | 113.9 | R20 | R20-P22 WeakPolarHBondContact O-CD 2.94Š|
| 23 | T | 50.8 | Low | 58.6 | Low | 102 Ų | 102 | 99.6 Ų | 99.6 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -29.1 | 173.5 | 36.6 | 0 | 0 | 0 | 0 | 114.2 | N21 | N21-T23 PolarHBondContact O-N 3.1Š|
| 24 | F | 51.3 | Low | 61.6 | Low | 46 Ų | 46 | 91.9 Ų | 91.9 | 20% | 0.202 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -9.1 | -175.8 | -60.5 | -56 | 0 | 0 | 0 | 113.9 | N21 N26 M27 L323 | N21-F24 HydrophobicContact CB-CD2 3.58Å; N21-F24 HydrophobicContact CB-CE2 3.99Å; N21-F24 PolarHBondContact O-N 3.28Å; F24-N26 PolarHBondContact O-N 3.18Å; F24-M27 HydrophobicContact CD1-SD 3.81Å; F24-M27 PolarHBondContact O-N 3.04Å; F24-L323 HydrophobicContact CB-CD2 4.21Å; F24-L323 HydrophobicContact CD1-CD2 3.85Å; F24-L323 HydrophobicContact CE1-CD2 4.38Å; F24-L323 HydrophobicContact CG-CD2 3.97Å |
| 25 | C | 51.5 | Low | 64.9 | Low | 70 Ų | 70 | 85.2 Ų | 85.2 | 47% | 0.473 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.3 | -174 | -120.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 26 | N | 66 | Low | 67.7 | Low | 158 Ų | 158 | 82 Ų | 82 | 85% | 0.845 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 2 | -177.4 | -76.8 | -8 | 0 | 0 | 0 | 114.3 | F24 | F24-N26 PolarHBondContact O-N 3.18Š|
| 27 | M | 80.2 | Confident | 71 | Confident | 64 Ų | 64 | 74.1 Ų | 74.1 | 32% | 0.315 | 39% | 0.391 | S | S | . | . | trans | -76.4 | 142.5 | 179.4 | -68.9 | 179.6 | 68.8 | 0 | 0 | 111.1 | F24 S31 Q32 E35 | F24-M27 HydrophobicContact CD1-SD 3.81Å; F24-M27 PolarHBondContact O-N 3.04Å; M27-S31 WeakPolarHBondContact CE-O 3.23Å; M27-Q32 HydrophobicContact CB-CG 3.92Å; M27-E35 HydrophobicContact CE-CB 4.16Å | ||
| 28 | S | 89.8 | Confident | 74 | Confident | 62 Ų | 62 | 71 Ų | 71 | 43% | 0.434 | 37% | 0.367 | S | S | . | . | trans | -67.8 | 157.3 | 167.6 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | D30 S31 Q32 | S28-D30 VanDerWaalsContact C-N 3.26Å; S28-D30 PolarHBondContact O-N 2.85Å; S28-S31 WeakPolarHBondContact O-CB 3.3Å; S28-S31 PolarHBondContact O-N 3.12Å; S28-S31 PolarHBondContact OG-N 2.58Å; S28-S31 PolarHBondContact OG-OG 3.39Å; S28-S31 VanDerWaalsContact OG-OG 3.13Å; S28-Q32 WeakPolarHBondContact O-CG 3.44Å; S28-Q32 PolarHBondContact O-N 3.27Å | ||
| 29 | M | 90 | Very high | 76.9 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -33.9 | 176.1 | -69.6 | -154.3 | -54 | 0 | 0 | 113.3 | S31 Q32 A33 Q438 G439 V441 L515 P517 | M29-S31 VanDerWaalsContact C-N 3.33Å; M29-S31 PolarHBondContact O-N 3.38Å; M29-Q32 PolarHBondContact O-N 3.37Å; M29-A33 WeakPolarHBondContact O-CB 3.44Å; M29-A33 PolarHBondContact O-N 3.19Å; M29-Q438 HydrophobicContact CE-CB 4.24Å; M29-Q438 WeakPolarHBondContact CE-O 3.14Å; M29-G439 WeakPolarHBondContact CE-O 3.36Å; M29-V441 HydrophobicContact CB-CB 4.28Å; M29-V441 HydrophobicContact CB-CG2 3.84Å; M29-V441 HydrophobicContact CE-CB 4.09Å; M29-V441 HydrophobicContact CE-CG2 3.47Å; M29-V441 VanDerWaalsContact CE-CG2 3.47Å; M29-L515 HydrophobicContact CB-CD1 4.32Å; M29-L515 VanDerWaalsContact O-CD1 3.29Å; M29-L515 WeakPolarHBondContact O-CD1 3.4Å; M29-P517 HydrophobicContact CE-CB 4.4Å; M29-P517 HydrophobicContact CE-CG 4.32Å; M29-P517 HydrophobicContact SD-CB 3.69Å; M29-P517 HydrophobicContact SD-CG 4.18Å |
| 30 | D | 93.2 | Very high | 79.8 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.9 | -50.1 | 170 | 163.9 | 84 | 0 | 0 | 0 | 110.6 | S28 Q32 A33 R34 V460 | S28-D30 VanDerWaalsContact C-N 3.26Å; S28-D30 PolarHBondContact O-N 2.85Å; D30-Q32 VanDerWaalsContact C-N 3.29Å; D30-Q32 PolarHBondContact O-N 2.82Å; D30-A33 PolarHBondContact O-N 3.04Å; D30-A33 VanDerWaalsContact O-N 3.17Å; D30-R34 WeakPolarHBondContact O-CG 3.49Å; D30-R34 PolarHBondContact O-N 2.99Å; D30-R34 IonicContact OD1-CZ 2.77Å; D30-R34 IonicContact OD1-NE 3.6Å; D30-R34 PolarHBondContact OD1-NE 3.1Å; D30-R34 IonicContact OD1-NH2 3.95Å; D30-R34 PolarHBondContact OD1-NH2 3.45Å; D30-R34 WeakPolarHBondContact OD2-CD 3.24Å; D30-R34 IonicContact OD2-NE 2.61Å; D30-R34 PolarHBondContact OD2-NE 3.39Å; D30-V460 WeakPolarHBondContact OD1-CG1 3.39Å; D30-V460 WeakPolarHBondContact OD1-CG2 3.3Å |
| 31 | S | 94.6 | Very high | 82.4 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | M27 S28 M29 E35 | M27-S31 WeakPolarHBondContact CE-O 3.23Å; S28-S31 WeakPolarHBondContact O-CB 3.3Å; S28-S31 PolarHBondContact O-N 3.12Å; S28-S31 PolarHBondContact OG-N 2.58Å; S28-S31 PolarHBondContact OG-OG 3.39Å; S28-S31 VanDerWaalsContact OG-OG 3.13Å; M29-S31 VanDerWaalsContact C-N 3.33Å; M29-S31 PolarHBondContact O-N 3.38Å; S31-E35 WeakPolarHBondContact O-CB 3.03Å; S31-E35 PolarHBondContact O-N 3.15Å |
| 32 | Q | 95.1 | Very high | 84.8 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 174.6 | -68.4 | 174.4 | -39.7 | 0 | 0 | 112.4 | M27 S28 M29 D30 E35 T36 L323 L515 | M27-Q32 HydrophobicContact CB-CG 3.92Å; S28-Q32 WeakPolarHBondContact O-CG 3.44Å; S28-Q32 PolarHBondContact O-N 3.27Å; M29-Q32 PolarHBondContact O-N 3.37Å; D30-Q32 VanDerWaalsContact C-N 3.29Å; D30-Q32 PolarHBondContact O-N 2.82Å; Q32-E35 PolarHBondContact O-N 3.29Å; Q32-T36 WeakPolarHBondContact O-CB 3.08Å; Q32-T36 PolarHBondContact O-N 3.24Å; Q32-T36 PolarHBondContact O-OG1 3.07Å; Q32-L323 HydrophobicContact CB-CD1 4.23Å; Q32-L323 HydrophobicContact CG-CD2 4.46Å; Q32-L515 HydrophobicContact CB-CD1 4Å |
| 33 | A | 96.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | M29 D30 E35 T36 F37 V441 L443 V513 L515 | M29-A33 WeakPolarHBondContact O-CB 3.44Å; M29-A33 PolarHBondContact O-N 3.19Å; D30-A33 PolarHBondContact O-N 3.04Å; D30-A33 VanDerWaalsContact O-N 3.17Å; A33-E35 VanDerWaalsContact C-N 3.34Å; A33-E35 PolarHBondContact O-N 3.1Å; A33-T36 WeakPolarHBondContact O-CB 3.45Å; A33-T36 PolarHBondContact O-N 3.42Å; A33-F37 PolarHBondContact O-N 2.84Å; A33-V441 HydrophobicContact CB-CG1 3.96Å; A33-L443 HydrophobicContact CB-CB 4.03Å; A33-L443 HydrophobicContact CB-CD1 4.17Å; A33-V513 HydrophobicContact CB-CG1 4.25Å; A33-L515 HydrophobicContact CB-CD1 3.82Å; A33-L515 HydrophobicContact CB-CG 4.39Å |
| 34 | R | 97.8 | Very high | 89.4 | Confident | 55 Ų | 55 | 38.3 Ų | 38.3 | 21% | 0.208 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.2 | -69.5 | 171.6 | -176.2 | -90.6 | 3 | 112.2 | D30 T36 F37 R38 L443 E496 L498 L499 | D30-R34 WeakPolarHBondContact O-CG 3.49Å; D30-R34 PolarHBondContact O-N 2.99Å; D30-R34 IonicContact OD1-CZ 2.77Å; D30-R34 IonicContact OD1-NE 3.6Å; D30-R34 PolarHBondContact OD1-NE 3.1Å; D30-R34 IonicContact OD1-NH2 3.95Å; D30-R34 PolarHBondContact OD1-NH2 3.45Å; D30-R34 WeakPolarHBondContact OD2-CD 3.24Å; D30-R34 IonicContact OD2-NE 2.61Å; D30-R34 PolarHBondContact OD2-NE 3.39Å; R34-T36 VanDerWaalsContact C-N 3.32Å; R34-F37 PolarHBondContact O-N 2.82Å; R34-R38 WeakPolarHBondContact O-CB 3.46Å; R34-R38 PolarHBondContact O-N 3.47Å; R34-L443 HydrophobicContact CB-CD1 4.41Å; R34-L443 HydrophobicContact CG-CD1 3.77Å; R34-E496 PolarHBondContact NH2-O 3.34Å; R34-L498 PolarHBondContact NH1-O 2.96Å; R34-L498 PolarHBondContact NH2-O 3.16Å; R34-L499 HydrophobicContact CG-CD1 4.22Å |
| 35 | E | 97.2 | Very high | 91.6 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 175.9 | 177 | 57.9 | -164.8 | 0 | 0 | 112.1 | M27 S31 Q32 A33 R38 A39 R319 L323 | M27-E35 HydrophobicContact CE-CB 4.16Å; S31-E35 WeakPolarHBondContact O-CB 3.03Å; S31-E35 PolarHBondContact O-N 3.15Å; Q32-E35 PolarHBondContact O-N 3.29Å; A33-E35 VanDerWaalsContact C-N 3.34Å; A33-E35 PolarHBondContact O-N 3.1Å; E35-R38 PolarHBondContact O-N 3.26Å; E35-R38 IonicContact OE1-CZ 3.27Å; E35-R38 IonicContact OE1-NE 2.73Å; E35-R38 IonicContact OE1-NH2 2.74Å; E35-R38 PolarHBondContact OE1-NH2 2.89Å; E35-R38 IonicContact OE2-CZ 2.96Å; E35-R38 VanDerWaalsContact OE2-CZ 3.24Å; E35-R38 IonicContact OE2-NE 3.22Å; E35-R38 PolarHBondContact OE2-NE 3.41Å; E35-R38 IonicContact OE2-NH2 2.76Å; E35-R38 PolarHBondContact OE2-NH2 2.84Å; E35-A39 WeakPolarHBondContact O-CB 3.44Å; E35-A39 PolarHBondContact O-N 3.4Å; E35-R319 HydrophobicContact CG-CG 4.42Å; E35-R319 IonicContact OE1-CZ 3.17Å; E35-R319 IonicContact OE1-NH1 3.5Å; E35-R319 PolarHBondContact OE1-NH1 3.12Å; E35-L323 HydrophobicContact CB-CD1 4.47Å; E35-L323 HydrophobicContact CG-CD1 4.2Å; E35-L323 HydrophobicContact CG-CD2 4.33Å |
| 36 | T | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 173.9 | -61 | 0 | 0 | 0 | 0 | 111.2 | Q32 A33 R34 A39 A40 A316 V320 L401 V513 | Q32-T36 WeakPolarHBondContact O-CB 3.08Å; Q32-T36 PolarHBondContact O-N 3.24Å; Q32-T36 PolarHBondContact O-OG1 3.07Å; A33-T36 WeakPolarHBondContact O-CB 3.45Å; A33-T36 PolarHBondContact O-N 3.42Å; R34-T36 VanDerWaalsContact C-N 3.32Å; T36-A39 PolarHBondContact O-N 2.87Å; T36-A40 PolarHBondContact O-N 2.95Å; T36-A316 HydrophobicContact CG2-CB 4.16Å; T36-V320 HydrophobicContact CG2-CG2 3.43Å; T36-V320 VanDerWaalsContact CG2-CG2 3.43Å; T36-L401 HydrophobicContact CG2-CD2 3.68Å; T36-V513 HydrophobicContact CG2-CG1 3.98Å; T36-V513 HydrophobicContact CG2-CG2 3.87Å |
| 37 | F | 98.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 175 | 176.9 | -93.4 | 0 | 0 | 0 | 112.1 | A33 R34 A39 A40 V41 L443 G445 A457 L499 P501 V511 | A33-F37 PolarHBondContact O-N 2.84Å; R34-F37 PolarHBondContact O-N 2.82Å; F37-A39 VanDerWaalsContact C-N 3.33Å; F37-A39 PolarHBondContact O-N 3.5Å; F37-A40 VanDerWaalsContact O-CB 3.28Å; F37-A40 WeakPolarHBondContact O-CB 3.43Å; F37-A40 PolarHBondContact O-N 3.34Å; F37-A40 VanDerWaalsContact O-N 3.11Å; F37-V41 HydrophobicContact CD1-CG2 4.22Å; F37-V41 HydrophobicContact CE1-CG2 3.67Å; F37-V41 HydrophobicContact CE2-CG2 4.23Å; F37-V41 HydrophobicContact CZ-CG2 3.68Å; F37-V41 PolarHBondContact O-N 3.17Å; F37-L443 HydrophobicContact CB-CD1 4.44Å; F37-L443 HydrophobicContact CB-CD2 3.74Å; F37-L443 HydrophobicContact CD2-CD2 3.86Å; F37-L443 HydrophobicContact CG-CD2 3.96Å; F37-G445 WeakPolarHBondContact CE2-O 3.39Å; F37-A457 HydrophobicContact CZ-CB 4.47Å; F37-L499 HydrophobicContact CD1-CD1 4.18Å; F37-L499 HydrophobicContact CD1-CD2 3.78Å; F37-L499 HydrophobicContact CD1-CG 4.37Å; F37-L499 HydrophobicContact CD2-CD2 4.15Å; F37-L499 HydrophobicContact CE1-CD2 3.77Å; F37-L499 HydrophobicContact CE1-CG 4.34Å; F37-L499 HydrophobicContact CE2-CD2 4.16Å; F37-L499 HydrophobicContact CG-CD2 3.97Å; F37-L499 HydrophobicContact CZ-CD2 3.96Å; F37-P501 HydrophobicContact CE1-CG 4.22Å; F37-V511 HydrophobicContact CD2-CB 3.91Å; F37-V511 HydrophobicContact CD2-CG1 4.16Å; F37-V511 HydrophobicContact CE2-CB 4.06Å |
| 38 | R | 97.6 | Very high | 95.8 | Very high | 103 Ų | 103 | 26.7 Ų | 26.7 | 39% | 0.389 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 177 | -175.1 | -178.1 | 70.2 | 89.3 | -0.9 | 111.4 | R34 E35 A40 V41 E42 | R34-R38 WeakPolarHBondContact O-CB 3.46Å; R34-R38 PolarHBondContact O-N 3.47Å; E35-R38 PolarHBondContact O-N 3.26Å; E35-R38 IonicContact OE1-CZ 3.27Å; E35-R38 IonicContact OE1-NE 2.73Å; E35-R38 IonicContact OE1-NH2 2.74Å; E35-R38 PolarHBondContact OE1-NH2 2.89Å; E35-R38 IonicContact OE2-CZ 2.96Å; E35-R38 VanDerWaalsContact OE2-CZ 3.24Å; E35-R38 IonicContact OE2-NE 3.22Å; E35-R38 PolarHBondContact OE2-NE 3.41Å; E35-R38 IonicContact OE2-NH2 2.76Å; E35-R38 PolarHBondContact OE2-NH2 2.84Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-A40 PolarHBondContact O-N 2.78Å; R38-V41 PolarHBondContact O-N 2.7Å; R38-E42 HydrophobicContact CG-CG 4.38Å; R38-E42 WeakPolarHBondContact CG-OE1 3.37Å; R38-E42 IonicContact CZ-OE1 2.92Å; R38-E42 IonicContact CZ-OE2 2.93Å; R38-E42 IonicContact NE-OE1 3.5Å; R38-E42 IonicContact NH1-OE1 3.95Å; R38-E42 PolarHBondContact NH1-OE1 2.78Å; R38-E42 IonicContact NH1-OE2 3.79Å; R38-E42 PolarHBondContact NH1-OE2 3.38Å; R38-E42 WeakPolarHBondContact O-CB 3.26Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 2.72Å |
| 39 | A | 97.2 | Very high | 96.1 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 7% | 0.066 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.5 | -35.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | E35 T36 F37 A43 R319 | E35-A39 WeakPolarHBondContact O-CB 3.44Å; E35-A39 PolarHBondContact O-N 3.4Å; T36-A39 PolarHBondContact O-N 2.87Å; F37-A39 VanDerWaalsContact C-N 3.33Å; F37-A39 PolarHBondContact O-N 3.5Å; A39-A43 WeakPolarHBondContact O-CB 3.01Å; A39-A43 PolarHBondContact O-N 3.12Å; A39-R319 HydrophobicContact CB-CB 3.67Å; A39-R319 HydrophobicContact CB-CG 3.71Å |
| 40 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T36 F37 R38 A312 A316 V511 | T36-A40 PolarHBondContact O-N 2.95Å; F37-A40 VanDerWaalsContact O-CB 3.28Å; F37-A40 WeakPolarHBondContact O-CB 3.43Å; F37-A40 PolarHBondContact O-N 3.34Å; F37-A40 VanDerWaalsContact O-N 3.11Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-A40 PolarHBondContact O-N 2.78Å; A40-A312 HydrophobicContact CB-CB 4.25Å; A40-A312 WeakPolarHBondContact O-CB 3.32Å; A40-A316 HydrophobicContact CB-CB 3.82Å; A40-V511 HydrophobicContact CB-CG1 4.14Å; A40-V511 HydrophobicContact CB-CG2 4.06Å |
| 41 | V | 97.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 5% | 0.048 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.1 | -45.3 | -179.9 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | F37 R38 A43 V44 Q45 T447 T504 T506 | F37-V41 HydrophobicContact CD1-CG2 4.22Å; F37-V41 HydrophobicContact CE1-CG2 3.67Å; F37-V41 HydrophobicContact CE2-CG2 4.23Å; F37-V41 HydrophobicContact CZ-CG2 3.68Å; F37-V41 PolarHBondContact O-N 3.17Å; R38-V41 PolarHBondContact O-N 2.7Å; V41-A43 VanDerWaalsContact C-N 3.25Å; V41-A43 PolarHBondContact O-N 3.14Å; V41-V44 CarbonylContact O-C 3.54Å; V41-V44 WeakPolarHBondContact O-CG2 3.41Å; V41-V44 PolarHBondContact O-N 3.09Å; V41-V44 VanDerWaalsContact O-N 3.11Å; V41-Q45 PolarHBondContact O-N 3.32Å; V41-T447 HydrophobicContact CG2-CG2 4.15Å; V41-T504 HydrophobicContact CG1-CG2 3.73Å; V41-T506 HydrophobicContact CG1-CG2 4.03Å |
| 42 | E | 96.1 | Very high | 96.5 | Very high | 69 Ų | 69 | 32.2 Ų | 32.2 | 32% | 0.322 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -59.6 | -37 | 179.6 | -76.7 | 175.2 | 178.7 | 0 | 0 | 112.3 | R38 V44 Q45 T48 | R38-E42 HydrophobicContact CG-CG 4.38Å; R38-E42 WeakPolarHBondContact CG-OE1 3.37Å; R38-E42 IonicContact CZ-OE1 2.92Å; R38-E42 IonicContact CZ-OE2 2.93Å; R38-E42 IonicContact NE-OE1 3.5Å; R38-E42 IonicContact NH1-OE1 3.95Å; R38-E42 PolarHBondContact NH1-OE1 2.78Å; R38-E42 IonicContact NH1-OE2 3.79Å; R38-E42 PolarHBondContact NH1-OE2 3.38Å; R38-E42 WeakPolarHBondContact O-CB 3.26Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 2.72Å; E42-V44 PolarHBondContact O-N 2.78Å; E42-Q45 PolarHBondContact O-N 2.86Å; E42-T48 PolarHBondContact O-OG1 3.3Å |
| 43 | A | 95.4 | Very high | 96.5 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 8% | 0.083 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -27 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A39 V41 V49 C315 | A39-A43 WeakPolarHBondContact O-CB 3.01Å; A39-A43 PolarHBondContact O-N 3.12Å; V41-A43 VanDerWaalsContact C-N 3.25Å; V41-A43 PolarHBondContact O-N 3.14Å; A43-V49 WeakPolarHBondContact O-CG1 3.32Å; A43-C315 HydrophobicContact CB-CB 3.32Å |
| 44 | V | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 17.4 | -179.4 | -64 | 0 | 0 | 0 | 0 | 113.2 | V41 E42 V49 V311 A312 T506 V508 | V41-V44 CarbonylContact O-C 3.54Å; V41-V44 WeakPolarHBondContact O-CG2 3.41Å; V41-V44 PolarHBondContact O-N 3.09Å; V41-V44 VanDerWaalsContact O-N 3.11Å; E42-V44 PolarHBondContact O-N 2.78Å; V44-V49 HydrophobicContact CB-CG1 4.39Å; V44-V311 HydrophobicContact CG1-CB 4.3Å; V44-V311 HydrophobicContact CG1-CG1 4.29Å; V44-A312 HydrophobicContact CG1-CB 3.79Å; V44-A312 HydrophobicContact CG2-CB 4.33Å; V44-T506 HydrophobicContact CG2-CG2 3.89Å; V44-T506 VanDerWaalsContact O-CB 3.25Å; V44-T506 WeakPolarHBondContact O-CB 3.4Å; V44-T506 PolarHBondContact O-OG1 3.47Å; V44-V508 HydrophobicContact CB-CG1 4.13Å; V44-V508 HydrophobicContact CB-CG2 4.31Å; V44-V508 HydrophobicContact CG1-CG1 4.3Å; V44-V508 HydrophobicContact CG1-CG2 4.28Å; V44-V508 HydrophobicContact CG2-CG1 4.25Å; V44-V508 HydrophobicContact CG2-CG2 3.7Å |
| 45 | Q | 96.5 | Very high | 96.4 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | trans | -65.1 | 143.7 | 171.7 | -78.7 | 179.8 | -21.8 | 0 | 0 | 110.9 | V41 E42 D47 T48 V49 | V41-Q45 PolarHBondContact O-N 3.32Å; E42-Q45 PolarHBondContact O-N 2.86Å; Q45-D47 VanDerWaalsContact C-N 3.31Å; Q45-D47 WeakPolarHBondContact CB-OD1 3.25Å; Q45-D47 PolarHBondContact O-N 2.66Å; Q45-T48 WeakPolarHBondContact O-CB 3.47Å; Q45-T48 PolarHBondContact O-N 3.19Å; Q45-T48 VanDerWaalsContact O-N 3.07Å; Q45-V49 WeakPolarHBondContact O-CG2 3.24Å; Q45-V49 PolarHBondContact O-N 2.78Å | ||
| 46 | P | 96.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.6 | -41.4 | -171 | -28.2 | 37 | 0 | 0 | 0 | 114.5 | V49 V50 A82 M86 C505 | P46-V49 WeakPolarHBondContact O-CG2 3.46Å; P46-V50 WeakPolarHBondContact O-CB 3.41Å; P46-V50 VanDerWaalsContact O-CG2 3.23Å; P46-V50 WeakPolarHBondContact O-CG2 3.49Å; P46-V50 PolarHBondContact O-N 3.13Å; P46-A82 HydrophobicContact CG-CB 3.94Å; P46-M86 HydrophobicContact CB-CG 3.89Å; P46-C505 WeakPolarHBondContact CG-O 3.29Å |
| 47 | D | 94.8 | Very high | 96 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.8 | -44.3 | 176.2 | 57.5 | -34.4 | 0 | 0 | 0 | 111.7 | Q45 V49 V50 R51 E89 H120 L121 | Q45-D47 VanDerWaalsContact C-N 3.31Å; Q45-D47 WeakPolarHBondContact CB-OD1 3.25Å; Q45-D47 PolarHBondContact O-N 2.66Å; D47-V49 PolarHBondContact O-N 2.98Å; D47-V50 PolarHBondContact O-N 2.85Å; D47-R51 VanDerWaalsContact O-CB 3.25Å; D47-R51 WeakPolarHBondContact O-CB 3.48Å; D47-R51 PolarHBondContact O-N 3.4Å; D47-E89 HydrophobicContact CB-CB 4.15Å; D47-E89 HydrophobicContact CB-CG 4.22Å; D47-H120 IonicContact OD2-CD2 3.89Å; D47-L121 HydrophobicContact CB-CD2 4Å |
| 48 | T | 95.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 47.7 Ų | 47.7 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -50 | 176.2 | -59 | 0 | 0 | 0 | 0 | 112.1 | E42 Q45 R51 Q52 | E42-T48 PolarHBondContact O-OG1 3.3Å; Q45-T48 WeakPolarHBondContact O-CB 3.47Å; Q45-T48 PolarHBondContact O-N 3.19Å; Q45-T48 VanDerWaalsContact O-N 3.07Å; T48-R51 PolarHBondContact O-N 3.26Å; T48-Q52 WeakPolarHBondContact O-CB 3.44Å; T48-Q52 VanDerWaalsContact O-CG 3.29Å; T48-Q52 WeakPolarHBondContact O-CG 3.42Å; T48-Q52 PolarHBondContact O-N 2.88Å |
| 49 | V | 96.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | -176.6 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | A43 V44 Q45 P46 D47 S53 L234 I306 | A43-V49 WeakPolarHBondContact O-CG1 3.32Å; V44-V49 HydrophobicContact CB-CG1 4.39Å; Q45-V49 WeakPolarHBondContact O-CG2 3.24Å; Q45-V49 PolarHBondContact O-N 2.78Å; P46-V49 WeakPolarHBondContact O-CG2 3.46Å; D47-V49 PolarHBondContact O-N 2.98Å; V49-S53 VanDerWaalsContact O-CB 3.3Å; V49-S53 WeakPolarHBondContact O-CB 3.28Å; V49-S53 PolarHBondContact O-N 3.33Å; V49-S53 VanDerWaalsContact O-N 3.08Å; V49-S53 PolarHBondContact O-OG 3.46Å; V49-L234 HydrophobicContact CG1-CD1 4.38Å; V49-L234 HydrophobicContact CG2-CD1 3.87Å; V49-I306 HydrophobicContact CB-CD1 4.1Å; V49-I306 HydrophobicContact CB-CG1 4.28Å; V49-I306 HydrophobicContact CG2-CD1 3.76Å; V49-I306 HydrophobicContact CG2-CG1 4.18Å |
| 50 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -45.1 | 177 | 168.5 | 0 | 0 | 0 | 0 | 109.8 | P46 D47 Q52 S53 I54 M86 E89 V90 I93 I306 | P46-V50 WeakPolarHBondContact O-CB 3.41Å; P46-V50 VanDerWaalsContact O-CG2 3.23Å; P46-V50 WeakPolarHBondContact O-CG2 3.49Å; P46-V50 PolarHBondContact O-N 3.13Å; D47-V50 PolarHBondContact O-N 2.85Å; V50-Q52 VanDerWaalsContact C-N 3.29Å; V50-Q52 PolarHBondContact O-N 2.95Å; V50-S53 WeakPolarHBondContact CA-OG 3.23Å; V50-S53 PolarHBondContact O-N 2.82Å; V50-S53 PolarHBondContact O-OG 3.45Å; V50-S53 VanDerWaalsContact O-OG 3.06Å; V50-I54 HydrophobicContact CG1-CD1 3.77Å; V50-I54 HydrophobicContact CG1-CG1 4.47Å; V50-I54 WeakPolarHBondContact O-CG1 3.48Å; V50-I54 PolarHBondContact O-N 2.9Å; V50-M86 HydrophobicContact CG2-CB 3.9Å; V50-M86 HydrophobicContact CG2-CG 4.14Å; V50-E89 HydrophobicContact CB-CB 4.04Å; V50-E89 HydrophobicContact CB-CG 3.98Å; V50-E89 HydrophobicContact CG1-CB 3.86Å; V50-E89 HydrophobicContact CG1-CG 3.78Å; V50-V90 HydrophobicContact CG1-CG2 3.67Å; V50-I93 HydrophobicContact CG1-CD1 4.17Å; V50-I306 HydrophobicContact CG2-CD1 3.82Å |
| 51 | R | 95.9 | Very high | 95.2 | Very high | 151 Ų | 151 | 48.1 Ų | 48.1 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.3 | -37.8 | 178.6 | -174.8 | 177.8 | -61.3 | -168.9 | 5.1 | 112.9 | D47 T48 E89 | D47-R51 VanDerWaalsContact O-CB 3.25Å; D47-R51 WeakPolarHBondContact O-CB 3.48Å; D47-R51 PolarHBondContact O-N 3.4Å; T48-R51 PolarHBondContact O-N 3.26Å; R51-E89 HydrophobicContact CB-CG 4.39Å; R51-E89 IonicContact CZ-OE1 3.31Å; R51-E89 IonicContact NE-OE1 2.79Å; R51-E89 PolarHBondContact NE-OE1 3.31Å; R51-E89 IonicContact NH2-OE1 2.7Å; R51-E89 PolarHBondContact NH2-OE1 3.47Å; R51-E89 IonicContact NH2-OE2 3.12Å |
| 52 | Q | 94.4 | Very high | 95.1 | Very high | 128 Ų | 128 | 49.1 Ų | 49.1 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -77.9 | -22.5 | 179.4 | -71.2 | 177.3 | -3.8 | 0 | 0 | 113.5 | T48 V50 | T48-Q52 WeakPolarHBondContact O-CB 3.44Å; T48-Q52 VanDerWaalsContact O-CG 3.29Å; T48-Q52 WeakPolarHBondContact O-CG 3.42Å; T48-Q52 PolarHBondContact O-N 2.88Å; V50-Q52 VanDerWaalsContact C-N 3.29Å; V50-Q52 PolarHBondContact O-N 2.95Å |
| 53 | S | 94.9 | Very high | 95 | Very high | 24 Ų | 24 | 46 Ų | 46 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -94.1 | -16.1 | -176.9 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | V49 V50 | V49-S53 VanDerWaalsContact O-CB 3.3Å; V49-S53 WeakPolarHBondContact O-CB 3.28Å; V49-S53 PolarHBondContact O-N 3.33Å; V49-S53 VanDerWaalsContact O-N 3.08Å; V49-S53 PolarHBondContact O-OG 3.46Å; V50-S53 WeakPolarHBondContact CA-OG 3.23Å; V50-S53 PolarHBondContact O-N 2.82Å; V50-S53 PolarHBondContact O-OG 3.45Å; V50-S53 VanDerWaalsContact O-OG 3.06Å |
| 54 | I | 95.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 110 | -178.1 | -57 | -178.3 | 0 | 0 | 0 | 110.1 | V50 V61 I63 V90 I93 L94 L232 | V50-I54 HydrophobicContact CG1-CD1 3.77Å; V50-I54 HydrophobicContact CG1-CG1 4.47Å; V50-I54 WeakPolarHBondContact O-CG1 3.48Å; V50-I54 PolarHBondContact O-N 2.9Å; I54-V61 HydrophobicContact CG2-CG2 3.34Å; I54-I63 HydrophobicContact CG1-CD1 4.36Å; I54-I63 HydrophobicContact CG1-CG1 4.3Å; I54-V90 HydrophobicContact CD1-CG2 4.11Å; I54-I93 HydrophobicContact CB-CD1 4.4Å; I54-I93 HydrophobicContact CG2-CG2 3.81Å; I54-L94 HydrophobicContact CD1-CD1 4.35Å; I54-L94 HydrophobicContact CG2-CD1 4.39Å; I54-L94 HydrophobicContact CG2-CD2 4.39Å; I54-L232 HydrophobicContact CD1-CD1 3.9Å; I54-L232 HydrophobicContact CG1-CD1 4.26Å |
| 55 | E | 95.1 | Very high | 94.2 | Very high | 137 Ų | 137 | 54.4 Ų | 54.4 | 64% | 0.64 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 110.7 | 171.8 | -65.1 | -178.7 | -174.6 | 0 | 0 | 110.2 | V61 V62 | E55-V61 CarbonylContact O-C 3.43Å; E55-V61 WeakPolarHBondContact O-CA 3.38Å; E55-V62 HydrophobicContact CB-CB 4.21Å; E55-V62 PolarHBondContact N-O 2.93Å; E55-V62 PolarHBondContact O-N 3.03Å |
| 56 | R | 93.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.3 | 179.7 | -173.1 | -176.5 | 178.9 | 172.8 | -1.2 | 112 | G58 I93 L94 D96 H97 | R56-G58 PolarHBondContact NE-O 3.46Å; R56-G58 PolarHBondContact NH2-O 3.38Å; R56-I93 HydrophobicContact CB-CG2 4.23Å; R56-I93 VanDerWaalsContact CD-O 3.25Å; R56-I93 WeakPolarHBondContact CD-O 3.23Å; R56-I93 PolarHBondContact NH1-O 2.71Å; R56-L94 HydrophobicContact CG-CD2 4.42Å; R56-D96 IonicContact CZ-OD1 3.46Å; R56-D96 VanDerWaalsContact CZ-OD1 3.31Å; R56-D96 IonicContact CZ-OD2 3.51Å; R56-D96 IonicContact NH1-OD1 3.28Å; R56-D96 PolarHBondContact NH1-OD1 3.32Å; R56-D96 IonicContact NH1-OD2 2.69Å; R56-D96 PolarHBondContact NH1-OD2 3.37Å; R56-D96 VanDerWaalsContact NH2-CG 3.29Å; R56-D96 IonicContact NH2-OD1 3.33Å; R56-D96 PolarHBondContact NH2-OD1 3.5Å; R56-D96 VanDerWaalsContact NH2-OD1 3.12Å; R56-D96 IonicContact NH2-OD2 2.91Å; R56-D96 PolarHBondContact NH2-OD2 2.99Å; R56-H97 PolarHBondContact NH2-CD2 2.85Å; R56-H97 VanDerWaalsContact NH2-CD2 3.34Å; R56-H97 PolarHBondContact NH2-NE2 2.96Å; R56-H97 VanDerWaalsContact NH2-NE2 3.17Å |
| 57 | N | 92.9 | Very high | 93.7 | Very high | 130 Ų | 130 | 62.9 Ų | 62.9 | 70% | 0.695 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 97.2 | 169.2 | -173.3 | -2.2 | 0 | 0 | 0 | 110.3 | D59 S60 | N57-D59 PolarHBondContact O-N 3.13Å; N57-S60 CarbonylContact C-O 3.53Å; N57-S60 PolarHBondContact N-O 2.78Å; N57-S60 PolarHBondContact O-N 3.03Å; N57-S60 VanDerWaalsContact O-N 3.08Å |
| 58 | G | 92.5 | Very high | 93.5 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 46% | 0.464 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -123 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R56 S60 | R56-G58 PolarHBondContact NE-O 3.46Å; R56-G58 PolarHBondContact NH2-O 3.38Å; G58-S60 VanDerWaalsContact C-N 3.29Å; G58-S60 PolarHBondContact O-N 2.89Å |
| 59 | D | 93.9 | Very high | 93.4 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 9.8 | 179.9 | -61.5 | -16.1 | 0 | 0 | 0 | 112.8 | N57 L70 H97 | N57-D59 PolarHBondContact O-N 3.13Å; D59-L70 WeakPolarHBondContact O-CB 3.44Å; D59-L70 PolarHBondContact O-N 3.48Å; D59-H97 IonicContact OD1-CE1 3.52Å; D59-H97 PolarHBondContact OD1-CE1 3.48Å; D59-H97 IonicContact OD1-NE2 3.35Å; D59-H97 PolarHBondContact OD1-NE2 2.84Å |
| 60 | S | 93.3 | Very high | 93.3 | Very high | 21 Ų | 21 | 65.5 Ų | 65.5 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.7 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 110.1 | N57 G58 R67 L68 | N57-S60 CarbonylContact C-O 3.53Å; N57-S60 PolarHBondContact N-O 2.78Å; N57-S60 PolarHBondContact O-N 3.03Å; N57-S60 VanDerWaalsContact O-N 3.08Å; G58-S60 VanDerWaalsContact C-N 3.29Å; G58-S60 PolarHBondContact O-N 2.89Å; S60-R67 WeakPolarHBondContact OG-CD 3.48Å; S60-R67 VanDerWaalsContact OG-CG 3.24Å; S60-R67 WeakPolarHBondContact OG-CG 3.49Å; S60-R67 PolarHBondContact OG-NH1 3.44Å; S60-L68 WeakPolarHBondContact CA-O 3.31Å; S60-L68 PolarHBondContact OG-O 2.82Å |
| 61 | V | 95 | Very high | 93.1 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.3 | 177 | 66.6 | 0 | 0 | 0 | 0 | 109.9 | I54 E55 I63 R67 L68 L70 L94 | I54-V61 HydrophobicContact CG2-CG2 3.34Å; E55-V61 CarbonylContact O-C 3.43Å; E55-V61 WeakPolarHBondContact O-CA 3.38Å; V61-I63 HydrophobicContact CG2-CG1 4.18Å; V61-R67 CarbonylContact O-C 3.27Å; V61-R67 WeakPolarHBondContact O-CA 3.44Å; V61-L68 HydrophobicContact CG1-CB 3.72Å; V61-L68 HydrophobicContact CG1-CD1 4.14Å; V61-L68 HydrophobicContact CG1-CG 4.42Å; V61-L68 PolarHBondContact N-O 3.13Å; V61-L68 PolarHBondContact O-N 2.93Å; V61-L70 HydrophobicContact CB-CD1 4.13Å; V61-L70 HydrophobicContact CG1-CD1 4.05Å; V61-L70 HydrophobicContact CG1-CD2 4.05Å; V61-L70 HydrophobicContact CG1-CG 4.06Å; V61-L94 HydrophobicContact CB-CD2 4.49Å; V61-L94 HydrophobicContact CG2-CD2 4.19Å |
| 62 | V | 95 | Very high | 93 | Very high | 28 Ų | 28 | 68.2 Ų | 68.2 | 17% | 0.17 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.9 | 173.9 | -178 | 0 | 0 | 0 | 0 | 108.3 | E55 C66 R67 | E55-V62 HydrophobicContact CB-CB 4.21Å; E55-V62 PolarHBondContact N-O 2.93Å; E55-V62 PolarHBondContact O-N 3.03Å; V62-C66 VanDerWaalsContact CA-O 3.3Å; V62-C66 WeakPolarHBondContact CA-O 3.34Å; V62-R67 HydrophobicContact CG2-CB 4.38Å |
| 63 | I | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 122.3 | 176.1 | -61.2 | 177.7 | 0 | 0 | 0 | 106.7 | I54 V61 G65 C66 L68 L165 V230 L232 A304 | I54-I63 HydrophobicContact CG1-CD1 4.36Å; I54-I63 HydrophobicContact CG1-CG1 4.3Å; V61-I63 HydrophobicContact CG2-CG1 4.18Å; I63-G65 PolarHBondContact O-N 3.39Å; I63-C66 PolarHBondContact N-O 3.31Å; I63-C66 WeakPolarHBondContact O-CB 3.46Å; I63-C66 PolarHBondContact O-N 3.15Å; I63-L68 HydrophobicContact CD1-CD1 4.12Å; I63-L165 HydrophobicContact CD1-CD1 4.23Å; I63-V230 HydrophobicContact CD1-CG1 4.07Å; I63-V230 HydrophobicContact CG2-CG1 4.05Å; I63-L232 HydrophobicContact CG2-CD2 3.57Å; I63-A304 HydrophobicContact CG2-CB 4.37Å |
| 64 | D | 88.4 | Confident | 93.2 | Very high | 116 Ų | 116 | 62 Ų | 62 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 43 | -179.1 | -161.8 | 31.8 | 0 | 0 | 0 | 113 | C66 A304 | D64-C66 PolarHBondContact O-N 3.26Å; D64-C66 VanDerWaalsContact O-N 3.13Å; D64-A304 HydrophobicContact CB-CB 3.85Å |
| 65 | G | 87.9 | Confident | 93.3 | Very high | 72 Ų | 72 | 62.5 Ų | 62.5 | 74% | 0.742 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -8.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | I63 | I63-G65 PolarHBondContact O-N 3.39Š|
| 66 | C | 88.6 | Confident | 93.5 | Very high | 50 Ų | 50 | 56 Ų | 56 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 124.4 | 176.5 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | V62 I63 D64 L302 | V62-C66 VanDerWaalsContact CA-O 3.3Å; V62-C66 WeakPolarHBondContact CA-O 3.34Å; I63-C66 PolarHBondContact N-O 3.31Å; I63-C66 WeakPolarHBondContact O-CB 3.46Å; I63-C66 PolarHBondContact O-N 3.15Å; D64-C66 PolarHBondContact O-N 3.26Å; D64-C66 VanDerWaalsContact O-N 3.13Å; C66-L302 HydrophobicContact CB-CD2 3.49Å; C66-L302 VanDerWaalsContact CB-CD2 3.49Å |
| 67 | R | 93 | Very high | 93.7 | Very high | 165 Ų | 165 | 52 Ų | 52 | 62% | 0.623 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.9 | 177.1 | -177.4 | -179.2 | -67.2 | -88 | -2 | 110.6 | S60 V61 V62 | S60-R67 WeakPolarHBondContact OG-CD 3.48Å; S60-R67 VanDerWaalsContact OG-CG 3.24Å; S60-R67 WeakPolarHBondContact OG-CG 3.49Å; S60-R67 PolarHBondContact OG-NH1 3.44Å; V61-R67 CarbonylContact O-C 3.27Å; V61-R67 WeakPolarHBondContact O-CA 3.44Å; V62-R67 HydrophobicContact CG2-CB 4.38Å |
| 68 | L | 92 | Very high | 93.9 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 147.9 | 176.7 | -49.7 | 163.3 | 0 | 0 | 0 | 109.1 | S60 V61 I63 L163 V230 | S60-L68 WeakPolarHBondContact CA-O 3.31Å; S60-L68 PolarHBondContact OG-O 2.82Å; V61-L68 HydrophobicContact CG1-CB 3.72Å; V61-L68 HydrophobicContact CG1-CD1 4.14Å; V61-L68 HydrophobicContact CG1-CG 4.42Å; V61-L68 PolarHBondContact N-O 3.13Å; V61-L68 PolarHBondContact O-N 2.93Å; I63-L68 HydrophobicContact CD1-CD1 4.12Å; L68-L163 HydrophobicContact CB-CD2 4.28Å; L68-L163 HydrophobicContact CD1-CD1 4.24Å; L68-L163 HydrophobicContact CD1-CD2 4.04Å; L68-L163 HydrophobicContact CD2-CD1 4.42Å; L68-V230 HydrophobicContact CD1-CG2 3.73Å; L68-V230 HydrophobicContact CD2-CG2 4.27Å |
| 69 | T | 93 | Very high | 94.2 | Very high | 103 Ų | 103 | 43.7 Ų | 43.7 | 63% | 0.632 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.8 | 176.5 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 70 | L | 93.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | trans | -104.6 | 131.7 | -179.1 | -56.4 | 173.3 | 0 | 0 | 0 | 109.2 | D59 V61 L94 H97 L163 | D59-L70 WeakPolarHBondContact O-CB 3.44Å; D59-L70 PolarHBondContact O-N 3.48Å; V61-L70 HydrophobicContact CB-CD1 4.13Å; V61-L70 HydrophobicContact CG1-CD1 4.05Å; V61-L70 HydrophobicContact CG1-CD2 4.05Å; V61-L70 HydrophobicContact CG1-CG 4.06Å; L70-L94 HydrophobicContact CD1-CD2 3.77Å; L70-H97 HydrophobicContact CB-CB 4.12Å; L70-H97 VanDerWaalsContact CB-CD2 3.48Å; L70-H97 WeakPolarHBondContact CB-CD2 3.45Å; L70-L163 HydrophobicContact CD2-CD2 3.86Å | ||
| 71 | S | 93.2 | Very high | 94.3 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -146.3 | 45.2 | -179.8 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | N73 | S71-N73 VanDerWaalsContact C-N 3.28Å; S71-N73 PolarHBondContact N-OD1 3.29Å; S71-N73 PolarHBondContact O-N 3.22Å |
| 72 | H | 94.1 | Very high | 94.3 | Very high | 130 Ų | 130 | 42.6 Ų | 42.6 | 60% | 0.602 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 56.6 | 43.8 | -172.5 | -60.8 | 75.8 | 0 | 0 | 0 | 112.3 | D96 H97 V99 | H72-D96 PolarHBondContact CD2-O 3.44Å; H72-D96 PolarHBondContact NE2-O 2.98Å; H72-H97 CarbonylContact C-O 3.3Å; H72-H97 WeakPolarHBondContact CA-O 3.27Å; H72-H97 AromaticContact CE1-ND1 3.97Å; H72-H97 PolarHBondContact N-ND1 2.93Å; H72-H97 AromaticContact ND1-ND1 3.65Å; H72-V99 WeakPolarHBondContact O-CG2 3.23Å |
| 73 | N | 95.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.102 | 23% | 0.23 | C | C | . | . | trans | -127.4 | 13.1 | -174.5 | 65.8 | -34 | 0 | 0 | 0 | 111.6 | S71 K161 L163 | S71-N73 VanDerWaalsContact C-N 3.28Å; S71-N73 PolarHBondContact N-OD1 3.29Å; S71-N73 PolarHBondContact O-N 3.22Å; N73-K161 WeakPolarHBondContact CB-O 3.39Å; N73-K161 PolarHBondContact ND2-O 3.42Å; N73-L163 PolarHBondContact O-N 3.38Å | ||
| 74 | L | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.5 | -177.4 | 177.6 | 65.5 | 0 | 0 | 0 | 110.1 | L94 H97 L98 V99 L163 L165 | L74-L94 HydrophobicContact CD2-CB 3.63Å; L74-L94 HydrophobicContact CD2-CD1 3.89Å; L74-L94 HydrophobicContact CD2-CG 4.4Å; L74-H97 HydrophobicContact CB-CB 4.39Å; L74-H97 WeakPolarHBondContact CB-O 3.48Å; L74-H97 PolarHBondContact N-O 3.49Å; L74-L98 HydrophobicContact CG-CD1 4.31Å; L74-V99 PolarHBondContact O-N 3.31Å; L74-L163 HydrophobicContact CD1-CB 4.45Å; L74-L163 HydrophobicContact CD1-CD2 3.92Å; L74-L163 HydrophobicContact CD1-CG 4Å; L74-L165 HydrophobicContact CD1-CB 3.85Å |
| 75 | H | 98.1 | Very high | 95 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.2 | 171.4 | -68.7 | -99.7 | 0 | 0 | 0 | 109.5 | R100 L158 D162 L163 L164 L165 | H75-R100 WeakPolarHBondContact CA-O 3.45Å; H75-L158 HydrophobicContact CB-CD2 3.94Å; H75-L158 VanDerWaalsContact CG-CD2 3.47Å; H75-D162 IonicContact NE2-OD1 3.45Å; H75-L163 PolarHBondContact N-O 3.04Å; H75-L164 HydrophobicContact CB-CD1 4.11Å; H75-L164 WeakPolarHBondContact O-CA 3.29Å; H75-L165 PolarHBondContact O-N 3.33Å |
| 76 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.7 | -175.8 | -173.1 | 149.6 | 0 | 0 | 0 | 111.2 | A87 V90 L98 R100 G101 V102 I103 I129 L165 L167 | L76-A87 HydrophobicContact CD2-CB 4.39Å; L76-V90 HydrophobicContact CD1-CB 4.03Å; L76-V90 HydrophobicContact CD1-CG1 3.58Å; L76-L98 HydrophobicContact CB-CD1 3.74Å; L76-R100 PolarHBondContact N-O 3.08Å; L76-R100 VanDerWaalsContact N-O 3.1Å; L76-G101 CarbonylContact O-C 3.57Å; L76-G101 WeakPolarHBondContact O-CA 3.48Å; L76-V102 PolarHBondContact O-N 3.4Å; L76-I103 HydrophobicContact CD2-CG2 3.52Å; L76-I129 HydrophobicContact CD1-CD1 3.96Å; L76-I129 HydrophobicContact CD2-CD1 4.1Å; L76-I129 HydrophobicContact CD2-CG2 4.25Å; L76-L165 WeakPolarHBondContact CA-O 3.47Å; L76-L167 HydrophobicContact CD1-CD1 4.01Å; L76-L167 HydrophobicContact CD2-CD1 4.14Å; L76-L167 HydrophobicContact CG-CD1 4.28Å |
| 77 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 149.5 | 167.1 | -65.5 | 0 | 0 | 0 | 0 | 109.6 | V102 I151 L154 L164 L165 V166 L167 L220 | V77-V102 VanDerWaalsContact CA-O 3.29Å; V77-V102 WeakPolarHBondContact CA-O 3.43Å; V77-I151 HydrophobicContact CB-CG1 4.38Å; V77-I151 HydrophobicContact CB-CG2 4.03Å; V77-I151 HydrophobicContact CG1-CB 4.48Å; V77-I151 HydrophobicContact CG1-CG1 4.38Å; V77-I151 HydrophobicContact CG1-CG2 4Å; V77-I151 HydrophobicContact CG2-CG2 4.5Å; V77-L154 HydrophobicContact CG1-CD2 3.74Å; V77-L154 HydrophobicContact CG1-CG 4.39Å; V77-L164 HydrophobicContact CB-CD1 4.37Å; V77-L164 HydrophobicContact CG1-CD1 3.94Å; V77-L164 HydrophobicContact CG2-CD1 3.73Å; V77-L164 HydrophobicContact CG2-CD2 4.21Å; V77-L164 HydrophobicContact CG2-CG 4.11Å; V77-L165 PolarHBondContact N-O 2.81Å; V77-V166 HydrophobicContact CG2-CB 4.15Å; V77-V166 HydrophobicContact CG2-CG1 4.09Å; V77-V166 HydrophobicContact CG2-CG2 3.73Å; V77-V166 CarbonylContact O-C 3.52Å; V77-V166 WeakPolarHBondContact O-CA 3.36Å; V77-L167 PolarHBondContact O-N 2.82Å; V77-L220 HydrophobicContact CG2-CD2 4.13Å |
| 78 | G | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 153.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V102 I103 S104 L167 | G78-V102 PolarHBondContact N-O 3.3Å; G78-V102 VanDerWaalsContact N-O 3.13Å; G78-I103 CarbonylContact O-C 3.23Å; G78-I103 VanDerWaalsContact O-CA 3.27Å; G78-I103 WeakPolarHBondContact O-CA 3.33Å; G78-S104 PolarHBondContact O-N 3.36Å; G78-L167 CarbonylContact C-O 3.6Å; G78-L167 WeakPolarHBondContact CA-O 3.45Å |
| 79 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 132.2 | 176.3 | 46.4 | -86.7 | 0 | 0 | 0 | 111 | V83 S104 I151 V166 L167 I168 S169 L175 L176 L220 A246 P249 | F79-V83 WeakPolarHBondContact O-CG2 3.31Å; F79-S104 VanDerWaalsContact CA-O 3.28Å; F79-S104 WeakPolarHBondContact CA-O 3.48Å; F79-I151 HydrophobicContact CD1-CD1 4.31Å; F79-V166 HydrophobicContact CE1-CG1 3.95Å; F79-V166 HydrophobicContact CZ-CG1 4.23Å; F79-L167 PolarHBondContact N-O 3Å; F79-I168 HydrophobicContact CE1-CG1 4.43Å; F79-I168 HydrophobicContact CE2-CB 4.36Å; F79-I168 HydrophobicContact CE2-CD1 4.36Å; F79-I168 HydrophobicContact CE2-CG1 4.01Å; F79-I168 HydrophobicContact CE2-CG2 3.85Å; F79-I168 HydrophobicContact CZ-CB 4.48Å; F79-I168 HydrophobicContact CZ-CD1 3.88Å; F79-I168 HydrophobicContact CZ-CG1 3.65Å; F79-I168 HydrophobicContact CZ-CG2 4.38Å; F79-S169 PolarHBondContact O-N 2.88Å; F79-L175 HydrophobicContact CB-CB 4.23Å; F79-L176 HydrophobicContact CB-CB 4.27Å; F79-L176 HydrophobicContact CB-CD1 4.38Å; F79-L176 HydrophobicContact CD1-CB 4.41Å; F79-L176 HydrophobicContact CD1-CD1 3.73Å; F79-L176 HydrophobicContact CD1-CD2 3.85Å; F79-L176 HydrophobicContact CD1-CG 4.21Å; F79-L176 HydrophobicContact CD2-CB 4.05Å; F79-L176 HydrophobicContact CD2-CD2 4.16Å; F79-L176 HydrophobicContact CE1-CD1 4.31Å; F79-L176 HydrophobicContact CE1-CD2 3.71Å; F79-L176 HydrophobicContact CE2-CD2 4.02Å; F79-L176 HydrophobicContact CG-CB 3.94Å; F79-L176 HydrophobicContact CG-CD1 4.04Å; F79-L176 HydrophobicContact CG-CD2 4.1Å; F79-L176 HydrophobicContact CG-CG 4.26Å; F79-L176 HydrophobicContact CZ-CD2 3.81Å; F79-L220 HydrophobicContact CE1-CD2 3.85Å; F79-L220 HydrophobicContact CZ-CD2 4.46Å; F79-A246 HydrophobicContact CD2-CB 4.34Å; F79-A246 HydrophobicContact CE2-CB 3.68Å; F79-P249 HydrophobicContact CE1-CG 4.41Å; F79-P249 HydrophobicContact CE2-CG 3.87Å; F79-P249 HydrophobicContact CZ-CB 4.21Å; F79-P249 HydrophobicContact CZ-CG 3.39Å |
| 80 | G | 96.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 141.1 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A82 S104 S169 G170 L175 | G80-A82 PolarHBondContact O-N 3.36Å; G80-S104 PolarHBondContact N-O 2.82Å; G80-S104 VanDerWaalsContact N-O 3.17Å; G80-S169 VanDerWaalsContact C-OG 3.26Å; G80-S169 VanDerWaalsContact CA-OG 3.29Å; G80-S169 WeakPolarHBondContact CA-OG 3.33Å; G80-G170 CarbonylContact C-O 3.55Å; G80-G170 WeakPolarHBondContact CA-O 3.47Å; G80-L175 VanDerWaalsContact CA-CD1 3.42Å |
| 81 | K | 93.8 | Very high | 96.8 | Very high | 92 Ų | 92 | 18.7 Ų | 18.7 | 40% | 0.4 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -67 | -34.6 | -175.5 | -66.7 | 174.4 | -179.5 | 179.5 | 0 | 113.5 | P106 S169 G170 | K81-P106 HydrophobicContact CB-CG 4.28Å; K81-P106 HydrophobicContact CG-CG 3.88Å; K81-S169 PolarHBondContact N-OG 2.88Å; K81-G170 WeakPolarHBondContact CG-O 3.24Å; K81-G170 PolarHBondContact N-O 3.36Å |
| 82 | A | 95.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 20 Ų | 20 | 6% | 0.058 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -96.1 | -5.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P46 G80 L84 G85 M86 S169 L234 | P46-A82 HydrophobicContact CG-CB 3.94Å; G80-A82 PolarHBondContact O-N 3.36Å; A82-L84 VanDerWaalsContact C-N 3.27Å; A82-L84 PolarHBondContact O-N 3.37Å; A82-G85 PolarHBondContact O-N 3.03Å; A82-M86 WeakPolarHBondContact O-CG 3.32Å; A82-M86 PolarHBondContact O-N 2.94Å; A82-M86 VanDerWaalsContact O-N 3.16Å; A82-S169 PolarHBondContact N-OG 2.62Å; A82-L234 HydrophobicContact CB-CD2 3.92Å |
| 83 | V | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.3 | -31.7 | -171 | 165.7 | 0 | 0 | 0 | 0 | 113.3 | F79 G85 M86 A87 I103 V105 L167 S169 | F79-V83 WeakPolarHBondContact O-CG2 3.31Å; V83-G85 PolarHBondContact O-N 3.3Å; V83-M86 HydrophobicContact CG2-SD 4.28Å; V83-M86 PolarHBondContact O-N 3.35Å; V83-A87 VanDerWaalsContact O-CB 3.23Å; V83-A87 WeakPolarHBondContact O-CB 3.4Å; V83-A87 PolarHBondContact O-N 3.24Å; V83-I103 HydrophobicContact CG1-CB 3.89Å; V83-I103 HydrophobicContact CG1-CG2 3.8Å; V83-V105 HydrophobicContact CB-CG1 4.33Å; V83-V105 HydrophobicContact CG1-CG1 4.41Å; V83-L167 HydrophobicContact CG1-CB 4.14Å; V83-L167 HydrophobicContact CG2-CB 4.23Å; V83-L167 WeakPolarHBondContact CG2-O 3.36Å; V83-S169 WeakPolarHBondContact CG2-OG 3.19Å; V83-S169 PolarHBondContact N-OG 3Å |
| 84 | L | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.9 | -176.6 | 54.9 | 0 | 0 | 0 | 111.6 | A82 A87 A88 I103 V105 I109 Q110 L113 L121 L122 L123 V131 | A82-L84 VanDerWaalsContact C-N 3.27Å; A82-L84 PolarHBondContact O-N 3.37Å; L84-A87 PolarHBondContact O-N 3.19Å; L84-A88 PolarHBondContact O-N 3.39Å; L84-I103 HydrophobicContact CD1-CD1 3.83Å; L84-V105 HydrophobicContact CB-CG1 4.18Å; L84-I109 HydrophobicContact CD2-CG1 4.44Å; L84-I109 HydrophobicContact CD2-CG2 3.86Å; L84-Q110 HydrophobicContact CD2-CG 3.69Å; L84-L113 HydrophobicContact CD2-CD1 3.71Å; L84-L113 HydrophobicContact CG-CD1 4.31Å; L84-L121 CarbonylContact C-O 3.54Å; L84-L122 HydrophobicContact CD2-CD2 3.95Å; L84-L123 HydrophobicContact CD1-CD1 4.13Å; L84-L123 HydrophobicContact CD1-CG 4.18Å; L84-V131 HydrophobicContact CD1-CG2 4.14Å |
| 85 | G | 97.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 4% | 0.041 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A82 V83 A88 E89 | A82-G85 PolarHBondContact O-N 3.03Å; V83-G85 PolarHBondContact O-N 3.3Å; G85-A88 PolarHBondContact O-N 2.91Å; G85-E89 PolarHBondContact O-N 3.45Å |
| 86 | M | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.9 | -61.1 | 170.2 | 76.9 | 0 | 0 | 111.3 | P46 V50 A82 V83 E89 V90 L167 L232 L234 I306 | P46-M86 HydrophobicContact CB-CG 3.89Å; V50-M86 HydrophobicContact CG2-CB 3.9Å; V50-M86 HydrophobicContact CG2-CG 4.14Å; A82-M86 WeakPolarHBondContact O-CG 3.32Å; A82-M86 PolarHBondContact O-N 2.94Å; A82-M86 VanDerWaalsContact O-N 3.16Å; V83-M86 HydrophobicContact CG2-SD 4.28Å; V83-M86 PolarHBondContact O-N 3.35Å; M86-E89 PolarHBondContact O-N 2.92Å; M86-V90 WeakPolarHBondContact O-CG2 3.41Å; M86-V90 PolarHBondContact O-N 2.9Å; M86-L167 HydrophobicContact CB-CD1 3.91Å; M86-L167 HydrophobicContact CE-CB 4.29Å; M86-L167 HydrophobicContact CE-CD2 4.35Å; M86-L232 HydrophobicContact CE-CB 4.29Å; M86-L234 HydrophobicContact SD-CB 4.45Å; M86-I306 HydrophobicContact CE-CD1 4.08Å |
| 87 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L76 V83 L84 E89 V90 E91 I103 L123 I129 L167 | L76-A87 HydrophobicContact CD2-CB 4.39Å; V83-A87 VanDerWaalsContact O-CB 3.23Å; V83-A87 WeakPolarHBondContact O-CB 3.4Å; V83-A87 PolarHBondContact O-N 3.24Å; L84-A87 PolarHBondContact O-N 3.19Å; A87-E89 VanDerWaalsContact C-N 3.32Å; A87-E89 PolarHBondContact O-N 3.24Å; A87-V90 PolarHBondContact O-N 3.45Å; A87-E91 WeakPolarHBondContact O-CB 3.36Å; A87-E91 PolarHBondContact O-N 3.48Å; A87-I103 HydrophobicContact CB-CD1 4.06Å; A87-I103 HydrophobicContact CB-CG2 4.25Å; A87-L123 HydrophobicContact CB-CD2 4.39Å; A87-I129 HydrophobicContact CB-CD1 4.13Å; A87-L167 HydrophobicContact CB-CD1 3.86Å |
| 88 | A | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L84 G85 E91 R92 L122 L123 | L84-A88 PolarHBondContact O-N 3.39Å; G85-A88 PolarHBondContact O-N 2.91Å; A88-E91 PolarHBondContact O-N 2.93Å; A88-R92 WeakPolarHBondContact O-CG 3.24Å; A88-R92 PolarHBondContact O-N 2.86Å; A88-R92 VanDerWaalsContact O-N 3.13Å; A88-L122 WeakPolarHBondContact CB-O 3.46Å; A88-L123 HydrophobicContact CB-CD2 4.24Å |
| 89 | E | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.1 | -37.2 | 177.8 | -167.7 | 67.4 | -175.8 | 0 | 0 | 112.7 | D47 V50 R51 G85 M86 A87 E91 R92 I93 | D47-E89 HydrophobicContact CB-CB 4.15Å; D47-E89 HydrophobicContact CB-CG 4.22Å; V50-E89 HydrophobicContact CB-CB 4.04Å; V50-E89 HydrophobicContact CB-CG 3.98Å; V50-E89 HydrophobicContact CG1-CB 3.86Å; V50-E89 HydrophobicContact CG1-CG 3.78Å; R51-E89 HydrophobicContact CB-CG 4.39Å; R51-E89 IonicContact CZ-OE1 3.31Å; R51-E89 IonicContact NE-OE1 2.79Å; R51-E89 PolarHBondContact NE-OE1 3.31Å; R51-E89 IonicContact NH2-OE1 2.7Å; R51-E89 PolarHBondContact NH2-OE1 3.47Å; R51-E89 IonicContact NH2-OE2 3.12Å; G85-E89 PolarHBondContact O-N 3.45Å; M86-E89 PolarHBondContact O-N 2.92Å; A87-E89 VanDerWaalsContact C-N 3.32Å; A87-E89 PolarHBondContact O-N 3.24Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 3.43Å; E89-R92 WeakPolarHBondContact O-CB 3.42Å; E89-R92 PolarHBondContact O-N 3.47Å; E89-R92 WeakPolarHBondContact OE2-CD 3.25Å; E89-R92 IonicContact OE2-CZ 2.82Å; E89-R92 IonicContact OE2-NH1 2.84Å; E89-R92 PolarHBondContact OE2-NH1 2.86Å; E89-I93 HydrophobicContact CG-CD1 4.03Å; E89-I93 WeakPolarHBondContact O-CG1 3.33Å; E89-I93 PolarHBondContact O-N 2.84Å; E89-I93 VanDerWaalsContact O-N 3.09Å |
| 90 | V | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 172.4 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | V50 I54 L76 M86 A87 R92 I93 L94 L165 L167 | V50-V90 HydrophobicContact CG1-CG2 3.67Å; I54-V90 HydrophobicContact CD1-CG2 4.11Å; L76-V90 HydrophobicContact CD1-CB 4.03Å; L76-V90 HydrophobicContact CD1-CG1 3.58Å; M86-V90 WeakPolarHBondContact O-CG2 3.41Å; M86-V90 PolarHBondContact O-N 2.9Å; A87-V90 PolarHBondContact O-N 3.45Å; V90-R92 VanDerWaalsContact C-N 3.28Å; V90-R92 PolarHBondContact O-N 2.79Å; V90-I93 PolarHBondContact O-N 3.33Å; V90-I93 VanDerWaalsContact O-N 3.14Å; V90-L94 HydrophobicContact CG1-CB 4.44Å; V90-L94 HydrophobicContact CG1-CD1 4.29Å; V90-L94 PolarHBondContact O-N 2.95Å; V90-L165 HydrophobicContact CB-CD2 4.49Å; V90-L165 HydrophobicContact CG1-CD2 3.65Å; V90-L165 HydrophobicContact CG2-CD2 3.97Å; V90-L167 HydrophobicContact CG2-CD1 4.27Å; V90-L167 HydrophobicContact CG2-CD2 4.11Å |
| 91 | E | 96.7 | Very high | 96.5 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 14% | 0.14 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 178.2 | -175.6 | 168.3 | -114.1 | 0 | 0 | 111.5 | A87 A88 E89 I93 G95 L123 S127 R128 I129 | A87-E91 WeakPolarHBondContact O-CB 3.36Å; A87-E91 PolarHBondContact O-N 3.48Å; A88-E91 PolarHBondContact O-N 2.93Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 3.43Å; E91-I93 VanDerWaalsContact C-N 3.34Å; E91-I93 PolarHBondContact O-N 3.11Å; E91-G95 WeakPolarHBondContact O-CA 3.36Å; E91-G95 PolarHBondContact O-N 3.01Å; E91-L123 HydrophobicContact CB-CD2 4.37Å; E91-L123 VanDerWaalsContact OE2-CD2 3.3Å; E91-L123 WeakPolarHBondContact OE2-CD2 3.43Å; E91-S127 VanDerWaalsContact OE1-CA 3.3Å; E91-S127 WeakPolarHBondContact OE1-CA 3.38Å; E91-S127 VanDerWaalsContact OE1-CB 3.24Å; E91-S127 WeakPolarHBondContact OE1-CB 3.49Å; E91-S127 PolarHBondContact OE1-OG 2.95Å; E91-S127 WeakPolarHBondContact OE2-CB 3.35Å; E91-S127 PolarHBondContact OE2-OG 2.79Å; E91-S127 VanDerWaalsContact OE2-OG 3.12Å; E91-R128 PolarHBondContact OE1-N 2.85Å; E91-I129 HydrophobicContact CB-CD1 4.25Å |
| 92 | R | 95.8 | Very high | 96.7 | Very high | 107 Ų | 107 | 21.2 Ų | 21.2 | 40% | 0.404 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 172.8 | -71.6 | 177.2 | -169.3 | 124.5 | 12.9 | 113.2 | A88 E89 V90 H120 | A88-R92 WeakPolarHBondContact O-CG 3.24Å; A88-R92 PolarHBondContact O-N 2.86Å; A88-R92 VanDerWaalsContact O-N 3.13Å; E89-R92 WeakPolarHBondContact O-CB 3.42Å; E89-R92 PolarHBondContact O-N 3.47Å; E89-R92 WeakPolarHBondContact OE2-CD 3.25Å; E89-R92 IonicContact OE2-CZ 2.82Å; E89-R92 IonicContact OE2-NH1 2.84Å; E89-R92 PolarHBondContact OE2-NH1 2.86Å; V90-R92 VanDerWaalsContact C-N 3.28Å; V90-R92 PolarHBondContact O-N 2.79Å; R92-H120 VanDerWaalsContact CZ-O 3.25Å; R92-H120 PolarHBondContact NH1-O 3.01Å; R92-H120 PolarHBondContact NH2-O 3.38Å |
| 93 | I | 96 | Very high | 96.9 | Very high | 30 Ų | 30 | 20.9 Ų | 20.9 | 15% | 0.154 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -84 | -38.8 | -175.3 | -60.7 | 167.9 | 0 | 0 | 0 | 111.5 | V50 I54 R56 E89 V90 E91 | V50-I93 HydrophobicContact CG1-CD1 4.17Å; I54-I93 HydrophobicContact CB-CD1 4.4Å; I54-I93 HydrophobicContact CG2-CG2 3.81Å; R56-I93 HydrophobicContact CB-CG2 4.23Å; R56-I93 VanDerWaalsContact CD-O 3.25Å; R56-I93 WeakPolarHBondContact CD-O 3.23Å; R56-I93 PolarHBondContact NH1-O 2.71Å; E89-I93 HydrophobicContact CG-CD1 4.03Å; E89-I93 WeakPolarHBondContact O-CG1 3.33Å; E89-I93 PolarHBondContact O-N 2.84Å; E89-I93 VanDerWaalsContact O-N 3.09Å; V90-I93 PolarHBondContact O-N 3.33Å; V90-I93 VanDerWaalsContact O-N 3.14Å; E91-I93 VanDerWaalsContact C-N 3.34Å; E91-I93 PolarHBondContact O-N 3.11Å |
| 94 | L | 95.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -127.7 | 8 | -167 | -54.5 | -178.8 | 0 | 0 | 0 | 114.3 | I54 R56 V61 L70 L74 V90 D96 H97 L98 | I54-L94 HydrophobicContact CD1-CD1 4.35Å; I54-L94 HydrophobicContact CG2-CD1 4.39Å; I54-L94 HydrophobicContact CG2-CD2 4.39Å; R56-L94 HydrophobicContact CG-CD2 4.42Å; V61-L94 HydrophobicContact CB-CD2 4.49Å; V61-L94 HydrophobicContact CG2-CD2 4.19Å; L70-L94 HydrophobicContact CD1-CD2 3.77Å; L74-L94 HydrophobicContact CD2-CB 3.63Å; L74-L94 HydrophobicContact CD2-CD1 3.89Å; L74-L94 HydrophobicContact CD2-CG 4.4Å; V90-L94 HydrophobicContact CG1-CB 4.44Å; V90-L94 HydrophobicContact CG1-CD1 4.29Å; V90-L94 PolarHBondContact O-N 2.95Å; L94-D96 VanDerWaalsContact C-N 3.25Å; L94-D96 PolarHBondContact O-N 3.43Å; L94-H97 PolarHBondContact O-N 2.87Å; L94-H97 VanDerWaalsContact O-N 3.1Å; L94-L98 PolarHBondContact O-N 3.28Å |
| 95 | G | 93.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 20.8 Ų | 20.8 | 19% | 0.186 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | E91 H97 L98 | E91-G95 WeakPolarHBondContact O-CA 3.36Å; E91-G95 PolarHBondContact O-N 3.01Å; G95-H97 VanDerWaalsContact C-N 3.34Å; G95-L98 WeakPolarHBondContact O-CB 3.39Å; G95-L98 PolarHBondContact O-N 3.4Å |
| 96 | D | 94.1 | Very high | 96.9 | Very high | 79 Ų | 79 | 22 Ų | 22 | 42% | 0.422 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -29.4 | 174.7 | 59.9 | -29.2 | 0 | 0 | 0 | 113 | R56 H72 L94 | R56-D96 IonicContact CZ-OD1 3.46Å; R56-D96 VanDerWaalsContact CZ-OD1 3.31Å; R56-D96 IonicContact CZ-OD2 3.51Å; R56-D96 IonicContact NH1-OD1 3.28Å; R56-D96 PolarHBondContact NH1-OD1 3.32Å; R56-D96 IonicContact NH1-OD2 2.69Å; R56-D96 PolarHBondContact NH1-OD2 3.37Å; R56-D96 VanDerWaalsContact NH2-CG 3.29Å; R56-D96 IonicContact NH2-OD1 3.33Å; R56-D96 PolarHBondContact NH2-OD1 3.5Å; R56-D96 VanDerWaalsContact NH2-OD1 3.12Å; R56-D96 IonicContact NH2-OD2 2.91Å; R56-D96 PolarHBondContact NH2-OD2 2.99Å; H72-D96 PolarHBondContact CD2-O 3.44Å; H72-D96 PolarHBondContact NE2-O 2.98Å; L94-D96 VanDerWaalsContact C-N 3.25Å; L94-D96 PolarHBondContact O-N 3.43Å |
| 97 | H | 95.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -7.3 | 173.8 | -63.5 | -70.7 | 0 | 0 | 0 | 113.9 | R56 D59 L70 H72 L74 L94 G95 V99 | R56-H97 PolarHBondContact NH2-CD2 2.85Å; R56-H97 VanDerWaalsContact NH2-CD2 3.34Å; R56-H97 PolarHBondContact NH2-NE2 2.96Å; R56-H97 VanDerWaalsContact NH2-NE2 3.17Å; D59-H97 IonicContact OD1-CE1 3.52Å; D59-H97 PolarHBondContact OD1-CE1 3.48Å; D59-H97 IonicContact OD1-NE2 3.35Å; D59-H97 PolarHBondContact OD1-NE2 2.84Å; L70-H97 HydrophobicContact CB-CB 4.12Å; L70-H97 VanDerWaalsContact CB-CD2 3.48Å; L70-H97 WeakPolarHBondContact CB-CD2 3.45Å; H72-H97 CarbonylContact C-O 3.3Å; H72-H97 WeakPolarHBondContact CA-O 3.27Å; H72-H97 AromaticContact CE1-ND1 3.97Å; H72-H97 PolarHBondContact N-ND1 2.93Å; H72-H97 AromaticContact ND1-ND1 3.65Å; L74-H97 HydrophobicContact CB-CB 4.39Å; L74-H97 WeakPolarHBondContact CB-O 3.48Å; L74-H97 PolarHBondContact N-O 3.49Å; L94-H97 PolarHBondContact O-N 2.87Å; L94-H97 VanDerWaalsContact O-N 3.1Å; G95-H97 VanDerWaalsContact C-N 3.34Å; H97-V99 PolarHBondContact O-N 2.91Å |
| 98 | L | 96.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 120.7 | -179 | -176.8 | 67.5 | 0 | 0 | 0 | 110.6 | L74 L76 L94 G95 R128 I129 | L74-L98 HydrophobicContact CG-CD1 4.31Å; L76-L98 HydrophobicContact CB-CD1 3.74Å; L94-L98 PolarHBondContact O-N 3.28Å; G95-L98 WeakPolarHBondContact O-CB 3.39Å; G95-L98 PolarHBondContact O-N 3.4Å; L98-R128 HydrophobicContact CD2-CB 4.11Å; L98-R128 HydrophobicContact CG-CB 4.34Å; L98-R128 WeakPolarHBondContact O-CD 3.3Å; L98-I129 HydrophobicContact CD2-CD1 3.86Å; L98-I129 HydrophobicContact CD2-CG1 3.57Å |
| 99 | V | 96.9 | Very high | 96.4 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 35% | 0.352 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -53.2 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | H72 L74 H97 | H72-V99 WeakPolarHBondContact O-CG2 3.23Å; L74-V99 PolarHBondContact O-N 3.31Å; H97-V99 PolarHBondContact O-N 2.91Å |
| 100 | R | 96.9 | Very high | 96.2 | Very high | 89 Ų | 89 | 32.4 Ų | 32.4 | 34% | 0.336 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 145.3 | -176.6 | 176.5 | 174.8 | 164.4 | -154.7 | -6.2 | 109.8 | H75 L76 L154 E157 | H75-R100 WeakPolarHBondContact CA-O 3.45Å; L76-R100 PolarHBondContact N-O 3.08Å; L76-R100 VanDerWaalsContact N-O 3.1Å; R100-L154 HydrophobicContact CB-CD1 4.39Å; R100-L154 HydrophobicContact CG-CD1 4.03Å; R100-L154 HydrophobicContact CG-CD2 4.49Å; R100-E157 IonicContact CZ-OE2 2.69Å; R100-E157 IonicContact NH1-OE2 3.41Å; R100-E157 PolarHBondContact NH1-OE2 3.08Å |
| 101 | G | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L76 R128 K130 | L76-G101 CarbonylContact O-C 3.57Å; L76-G101 WeakPolarHBondContact O-CA 3.48Å; G101-R128 PolarHBondContact N-O 2.93Å; G101-K130 PolarHBondContact O-N 3Å |
| 102 | V | 98.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 122.4 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | L76 V77 G78 K130 M132 I151 L154 | L76-V102 PolarHBondContact O-N 3.4Å; V77-V102 VanDerWaalsContact CA-O 3.29Å; V77-V102 WeakPolarHBondContact CA-O 3.43Å; G78-V102 PolarHBondContact N-O 3.3Å; G78-V102 VanDerWaalsContact N-O 3.13Å; V102-K130 WeakPolarHBondContact CA-O 3.11Å; V102-M132 HydrophobicContact CG1-SD 4.02Å; V102-I151 HydrophobicContact CB-CG1 4.27Å; V102-I151 HydrophobicContact CG1-CG1 3.97Å; V102-L154 HydrophobicContact CG2-CD2 4.14Å |
| 103 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.4 | 176.9 | 64.2 | 176.2 | 0 | 0 | 0 | 111.9 | L76 G78 V83 L84 A87 V105 L123 I129 K130 V131 M132 | L76-I103 HydrophobicContact CD2-CG2 3.52Å; G78-I103 CarbonylContact O-C 3.23Å; G78-I103 VanDerWaalsContact O-CA 3.27Å; G78-I103 WeakPolarHBondContact O-CA 3.33Å; V83-I103 HydrophobicContact CG1-CB 3.89Å; V83-I103 HydrophobicContact CG1-CG2 3.8Å; L84-I103 HydrophobicContact CD1-CD1 3.83Å; A87-I103 HydrophobicContact CB-CD1 4.06Å; A87-I103 HydrophobicContact CB-CG2 4.25Å; I103-V105 HydrophobicContact CB-CG1 4.42Å; I103-V105 HydrophobicContact CD1-CG1 4.09Å; I103-V105 HydrophobicContact CG1-CG1 4.22Å; I103-L123 HydrophobicContact CD1-CD1 4.18Å; I103-I129 HydrophobicContact CB-CG2 4.45Å; I103-I129 HydrophobicContact CD1-CG2 4.12Å; I103-I129 HydrophobicContact CG1-CG2 3.98Å; I103-I129 HydrophobicContact CG2-CG2 3.81Å; I103-K130 PolarHBondContact N-O 3.32Å; I103-V131 HydrophobicContact CD1-CB 4.47Å; I103-V131 HydrophobicContact CD1-CG1 4.34Å; I103-V131 HydrophobicContact CD1-CG2 3.87Å; I103-V131 HydrophobicContact CG1-CB 4.28Å; I103-V131 HydrophobicContact CG1-CG1 4.28Å; I103-V131 HydrophobicContact CG1-CG2 4.09Å; I103-M132 PolarHBondContact O-N 3.2Å |
| 104 | S | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.7 | 175.8 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | G78 F79 G80 M132 A147 L175 | G78-S104 PolarHBondContact O-N 3.36Å; F79-S104 VanDerWaalsContact CA-O 3.28Å; F79-S104 WeakPolarHBondContact CA-O 3.48Å; G80-S104 PolarHBondContact N-O 2.82Å; G80-S104 VanDerWaalsContact N-O 3.17Å; S104-M132 WeakPolarHBondContact CA-O 3.47Å; S104-A147 WeakPolarHBondContact OG-CB 3.11Å; S104-L175 VanDerWaalsContact CB-O 3.29Å; S104-L175 WeakPolarHBondContact CB-O 3.34Å; S104-L175 PolarHBondContact OG-O 2.79Å |
| 105 | V | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 160.5 | -172.2 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | V83 L84 I103 I109 V131 M132 E133 G134 L175 | V83-V105 HydrophobicContact CB-CG1 4.33Å; V83-V105 HydrophobicContact CG1-CG1 4.41Å; L84-V105 HydrophobicContact CB-CG1 4.18Å; I103-V105 HydrophobicContact CB-CG1 4.42Å; I103-V105 HydrophobicContact CD1-CG1 4.09Å; I103-V105 HydrophobicContact CG1-CG1 4.22Å; V105-I109 HydrophobicContact CB-CG2 3.99Å; V105-I109 HydrophobicContact CG2-CG2 3.55Å; V105-V131 HydrophobicContact CG2-CG1 3.59Å; V105-M132 PolarHBondContact N-O 3.46Å; V105-E133 HydrophobicContact CG2-CG 3.98Å; V105-E133 CarbonylContact O-C 3.57Å; V105-E133 VanDerWaalsContact O-CA 3.32Å; V105-E133 WeakPolarHBondContact O-CA 3.47Å; V105-G134 PolarHBondContact O-N 2.97Å; V105-L175 VanDerWaalsContact C-CD2 3.42Å; V105-L175 WeakPolarHBondContact O-CD2 3.46Å |
| 106 | P | 96.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 145.4 | -178.8 | -22.8 | 32.8 | 0 | 0 | 0 | 113.4 | K81 G108 I109 G134 L175 | K81-P106 HydrophobicContact CB-CG 4.28Å; K81-P106 HydrophobicContact CG-CG 3.88Å; P106-G108 PolarHBondContact O-N 3.38Å; P106-I109 WeakPolarHBondContact O-CB 3.47Å; P106-I109 WeakPolarHBondContact O-CG2 3.14Å; P106-I109 PolarHBondContact O-N 3.45Å; P106-G134 CarbonylContact C-O 3.47Å; P106-G134 WeakPolarHBondContact CA-O 3.33Å; P106-L175 HydrophobicContact CG-CD1 4.12Å |
| 107 | H | 95.9 | Very high | 95.5 | Very high | 106 Ų | 106 | 47.2 Ų | 47.2 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 129.8 | 175.3 | -170.6 | -73.7 | 0 | 0 | 0 | 112.9 | I109 G134 K136 | H107-I109 VanDerWaalsContact C-N 3.32Å; H107-G134 PolarHBondContact N-O 2.74Å; H107-K136 HydrophobicContact CB-CG 4.03Å; H107-K136 WeakPolarHBondContact CD2-CE 3.47Å |
| 108 | G | 93.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P106 Q110 Q111 T112 E133 | P106-G108 PolarHBondContact O-N 3.38Å; G108-Q110 VanDerWaalsContact C-N 3.32Å; G108-Q110 PolarHBondContact O-N 3.46Å; G108-Q111 PolarHBondContact O-N 3.15Å; G108-T112 PolarHBondContact O-N 3.29Å; G108-T112 PolarHBondContact O-OG1 3.21Å; G108-E133 PolarHBondContact N-OE2 2.76Å |
| 109 | I | 93.6 | Very high | 95.2 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 16% | 0.159 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -38.9 | -176.3 | -169.8 | 59.6 | 0 | 0 | 0 | 112.4 | L84 V105 P106 H107 Q111 T112 L113 | L84-I109 HydrophobicContact CD2-CG1 4.44Å; L84-I109 HydrophobicContact CD2-CG2 3.86Å; V105-I109 HydrophobicContact CB-CG2 3.99Å; V105-I109 HydrophobicContact CG2-CG2 3.55Å; P106-I109 WeakPolarHBondContact O-CB 3.47Å; P106-I109 WeakPolarHBondContact O-CG2 3.14Å; P106-I109 PolarHBondContact O-N 3.45Å; H107-I109 VanDerWaalsContact C-N 3.32Å; I109-Q111 PolarHBondContact O-N 3.16Å; I109-T112 PolarHBondContact O-N 3.2Å; I109-L113 HydrophobicContact CD1-CG 4.36Å; I109-L113 HydrophobicContact CG1-CD1 4.24Å; I109-L113 HydrophobicContact CG1-CG 4.38Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.43Å; I109-L113 PolarHBondContact O-N 2.8Å |
| 110 | Q | 94.6 | Very high | 95 | Very high | 73 Ų | 73 | 53.4 Ų | 53.4 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 178.4 | -71.1 | 176.9 | 96 | 0 | 0 | 111.3 | L84 G108 L113 Q114 L122 E133 | L84-Q110 HydrophobicContact CD2-CG 3.69Å; G108-Q110 VanDerWaalsContact C-N 3.32Å; G108-Q110 PolarHBondContact O-N 3.46Å; Q110-L113 PolarHBondContact O-N 3.23Å; Q110-Q114 WeakPolarHBondContact O-CG 3.28Å; Q110-Q114 PolarHBondContact O-N 2.8Å; Q110-Q114 VanDerWaalsContact O-N 3.1Å; Q110-L122 HydrophobicContact CB-CD2 4.25Å; Q110-L122 HydrophobicContact CG-CD2 4.19Å; Q110-E133 WeakPolarHBondContact CB-OE1 3.49Å; Q110-E133 VanDerWaalsContact CG-OE1 3.26Å; Q110-E133 WeakPolarHBondContact CG-OE1 3.37Å; Q110-E133 PolarHBondContact N-OE1 3.36Å; Q110-E133 PolarHBondContact NE2-OE1 2.79Å |
| 111 | Q | 94.8 | Very high | 94.9 | Very high | 115 Ų | 115 | 49.3 Ų | 49.3 | 54% | 0.537 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.8 | -177.5 | 178.5 | 1.9 | 0 | 0 | 111.3 | G108 I109 L113 Q114 Q115 | G108-Q111 PolarHBondContact O-N 3.15Å; I109-Q111 PolarHBondContact O-N 3.16Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L113 PolarHBondContact O-N 2.81Å; Q111-Q114 PolarHBondContact O-N 2.76Å; Q111-Q115 HydrophobicContact CG-CG 4.42Å; Q111-Q115 VanDerWaalsContact NE2-NE2 3.19Å; Q111-Q115 WeakPolarHBondContact O-CG 3.29Å; Q111-Q115 PolarHBondContact O-N 3.48Å |
| 112 | T | 93.3 | Very high | 94.8 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | G108 I109 Q115 H116 L503 | G108-T112 PolarHBondContact O-N 3.29Å; G108-T112 PolarHBondContact O-OG1 3.21Å; I109-T112 PolarHBondContact O-N 3.2Å; T112-Q115 PolarHBondContact O-N 3.01Å; T112-H116 PolarHBondContact O-N 2.81Å; T112-H116 VanDerWaalsContact O-N 3.15Å; T112-H116 PolarHBondContact O-ND1 3.47Å; T112-L503 HydrophobicContact CG2-CD2 3.68Å |
| 113 | L | 94.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 177.9 | -69.7 | 174.4 | 0 | 0 | 0 | 112 | L84 I109 Q110 Q111 H116 G117 K118 L121 L122 L503 C505 | L84-L113 HydrophobicContact CD2-CD1 3.71Å; L84-L113 HydrophobicContact CG-CD1 4.31Å; I109-L113 HydrophobicContact CD1-CG 4.36Å; I109-L113 HydrophobicContact CG1-CD1 4.24Å; I109-L113 HydrophobicContact CG1-CG 4.38Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.43Å; I109-L113 PolarHBondContact O-N 2.8Å; Q110-L113 PolarHBondContact O-N 3.23Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L113 PolarHBondContact O-N 2.81Å; L113-H116 PolarHBondContact O-N 3.21Å; L113-G117 PolarHBondContact O-N 3.3Å; L113-K118 HydrophobicContact CB-CB 4.21Å; L113-K118 HydrophobicContact CD2-CB 3.76Å; L113-K118 HydrophobicContact CD2-CG 4.41Å; L113-K118 WeakPolarHBondContact O-CA 3.45Å; L113-K118 PolarHBondContact O-N 3.17Å; L113-L121 HydrophobicContact CD1-CB 4.17Å; L113-L121 HydrophobicContact CD2-CD1 4.22Å; L113-L122 HydrophobicContact CB-CD2 4.04Å; L113-L122 HydrophobicContact CB-CG 4.48Å; L113-L122 HydrophobicContact CD1-CD2 3.8Å; L113-L503 HydrophobicContact CD2-CD2 4.35Å; L113-C505 WeakPolarHBondContact CD2-SG 3.46Å |
| 114 | Q | 93.8 | Very high | 94.3 | Very high | 116 Ų | 116 | 57.2 Ų | 57.2 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 175.9 | -69.8 | 173 | 1.6 | 0 | 0 | 111.6 | Q110 Q111 H116 G117 L122 | Q110-Q114 WeakPolarHBondContact O-CG 3.28Å; Q110-Q114 PolarHBondContact O-N 2.8Å; Q110-Q114 VanDerWaalsContact O-N 3.1Å; Q111-Q114 PolarHBondContact O-N 2.76Å; Q114-H116 PolarHBondContact O-N 2.91Å; Q114-G117 PolarHBondContact O-N 2.83Å; Q114-G117 VanDerWaalsContact O-N 3.15Å; Q114-L122 HydrophobicContact CG-CD1 3.49Å; Q114-L122 VanDerWaalsContact CG-CD1 3.49Å |
| 115 | Q | 94.1 | Very high | 93.8 | Very high | 130 Ų | 130 | 62.7 Ų | 62.7 | 61% | 0.607 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.5 | -30.5 | -179.4 | -73.3 | 174 | -16 | 0 | 0 | 113 | Q111 T112 | Q111-Q115 HydrophobicContact CG-CG 4.42Å; Q111-Q115 VanDerWaalsContact NE2-NE2 3.19Å; Q111-Q115 WeakPolarHBondContact O-CG 3.29Å; Q111-Q115 PolarHBondContact O-N 3.48Å; T112-Q115 PolarHBondContact O-N 3.01Å |
| 116 | H | 91.9 | Very high | 93.4 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 11.3 | 179.6 | -67.9 | 80.4 | 0 | 0 | 0 | 113.6 | T112 L113 Q114 K118 L503 | T112-H116 PolarHBondContact O-N 2.81Å; T112-H116 VanDerWaalsContact O-N 3.15Å; T112-H116 PolarHBondContact O-ND1 3.47Å; L113-H116 PolarHBondContact O-N 3.21Å; Q114-H116 PolarHBondContact O-N 2.91Å; H116-K118 VanDerWaalsContact C-N 3.25Å; H116-K118 HydrophobicContact CB-CG 4.31Å; H116-K118 PolarHBondContact O-N 3.05Å; H116-L503 HydrophobicContact CB-CD2 4.14Å |
| 117 | G | 92.8 | Very high | 93.3 | Very high | 58 Ų | 58 | 69.3 Ų | 69.3 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L113 Q114 S119 | L113-G117 PolarHBondContact O-N 3.3Å; Q114-G117 PolarHBondContact O-N 2.83Å; Q114-G117 VanDerWaalsContact O-N 3.15Å; G117-S119 VanDerWaalsContact C-N 3.34Å; G117-S119 PolarHBondContact O-N 3.16Å |
| 118 | K | 93.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 71.6 Ų | 71.6 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | trans | -97.8 | 35 | -179.7 | -62.2 | -69.9 | -168.8 | 166.3 | 0 | 112.2 | L113 H116 H120 L121 L503 | L113-K118 HydrophobicContact CB-CB 4.21Å; L113-K118 HydrophobicContact CD2-CB 3.76Å; L113-K118 HydrophobicContact CD2-CG 4.41Å; L113-K118 WeakPolarHBondContact O-CA 3.45Å; L113-K118 PolarHBondContact O-N 3.17Å; H116-K118 VanDerWaalsContact C-N 3.25Å; H116-K118 HydrophobicContact CB-CG 4.31Å; H116-K118 PolarHBondContact O-N 3.05Å; K118-H120 PolarHBondContact O-N 3.15Å; K118-H120 VanDerWaalsContact O-N 3.13Å; K118-L121 HydrophobicContact CB-CD1 4.38Å; K118-L121 PolarHBondContact O-N 2.96Å; K118-L503 WeakPolarHBondContact CE-O 3.4Å | ||
| 119 | S | 92.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 71.4 Ų | 71.4 | 49% | 0.49 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -61.8 | -22.1 | -177.4 | -55.2 | 0 | 0 | 0 | 0 | 113.9 | G117 L121 L122 | G117-S119 VanDerWaalsContact C-N 3.34Å; G117-S119 PolarHBondContact O-N 3.16Å; S119-L121 PolarHBondContact O-N 2.67Å; S119-L122 WeakPolarHBondContact O-CB 3.47Å; S119-L122 PolarHBondContact O-N 3.17Å |
| 120 | H | 93.1 | Very high | 93.7 | Very high | 78 Ų | 78 | 76.1 Ų | 76.1 | 36% | 0.361 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -66.6 | -8.5 | 171.9 | 66.5 | -83.6 | 0 | 0 | 0 | 113.7 | D47 R92 K118 | D47-H120 IonicContact OD2-CD2 3.89Å; R92-H120 VanDerWaalsContact CZ-O 3.25Å; R92-H120 PolarHBondContact NH1-O 3.01Å; R92-H120 PolarHBondContact NH2-O 3.38Å; K118-H120 PolarHBondContact O-N 3.15Å; K118-H120 VanDerWaalsContact O-N 3.13Å |
| 121 | L | 94 | Very high | 93.8 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -99.9 | 3.5 | 172.8 | -60 | -179.7 | 0 | 0 | 0 | 112.5 | D47 L84 L113 K118 S119 C505 | D47-L121 HydrophobicContact CB-CD2 4Å; L84-L121 CarbonylContact C-O 3.54Å; L113-L121 HydrophobicContact CD1-CB 4.17Å; L113-L121 HydrophobicContact CD2-CD1 4.22Å; K118-L121 HydrophobicContact CB-CD1 4.38Å; K118-L121 PolarHBondContact O-N 2.96Å; S119-L121 PolarHBondContact O-N 2.67Å; L121-C505 HydrophobicContact CD1-CB 3.66Å |
| 122 | L | 95.8 | Very high | 94 | Very high | 21 Ų | 21 | 70.5 Ų | 70.5 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -92.2 | 154.3 | 174.8 | -59 | 172.2 | 0 | 0 | 0 | 110.2 | L84 A88 Q110 L113 Q114 S119 | L84-L122 HydrophobicContact CD2-CD2 3.95Å; A88-L122 WeakPolarHBondContact CB-O 3.46Å; Q110-L122 HydrophobicContact CB-CD2 4.25Å; Q110-L122 HydrophobicContact CG-CD2 4.19Å; L113-L122 HydrophobicContact CB-CD2 4.04Å; L113-L122 HydrophobicContact CB-CG 4.48Å; L113-L122 HydrophobicContact CD1-CD2 3.8Å; Q114-L122 HydrophobicContact CG-CD1 3.49Å; Q114-L122 VanDerWaalsContact CG-CD1 3.49Å; S119-L122 WeakPolarHBondContact O-CB 3.47Å; S119-L122 PolarHBondContact O-N 3.17Å |
| 123 | L | 95.1 | Very high | 94.2 | Very high | 30 Ų | 30 | 70.6 Ų | 70.6 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 155.9 | 170.4 | -66.5 | 166.1 | 0 | 0 | 0 | 110.8 | L84 A87 A88 E91 I103 I129 V131 | L84-L123 HydrophobicContact CD1-CD1 4.13Å; L84-L123 HydrophobicContact CD1-CG 4.18Å; A87-L123 HydrophobicContact CB-CD2 4.39Å; A88-L123 HydrophobicContact CB-CD2 4.24Å; E91-L123 HydrophobicContact CB-CD2 4.37Å; E91-L123 VanDerWaalsContact OE2-CD2 3.3Å; E91-L123 WeakPolarHBondContact OE2-CD2 3.43Å; I103-L123 HydrophobicContact CD1-CD1 4.18Å; L123-I129 HydrophobicContact CD1-CB 3.85Å; L123-I129 HydrophobicContact CD1-CG2 3.97Å; L123-I129 HydrophobicContact CD2-CB 4.45Å; L123-I129 HydrophobicContact CD2-CD1 3.86Å; L123-V131 HydrophobicContact CD1-CG2 3.41Å; L123-V131 VanDerWaalsContact CD1-CG2 3.41Å |
| 124 | E | 91.1 | Very high | 94.2 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 158.7 | 173.7 | -62.1 | -60.8 | 150.5 | 0 | 0 | 111.2 | D126 S127 | E124-D126 PolarHBondContact O-N 3.08Å; E124-S127 VanDerWaalsContact O-CB 3.23Å; E124-S127 WeakPolarHBondContact O-CB 3.41Å; E124-S127 PolarHBondContact O-N 3.25Å; E124-S127 VanDerWaalsContact O-N 3.13Å |
| 125 | A | 87.9 | Confident | 94.2 | Very high | 115 Ų | 115 | 65.1 Ų | 65.1 | 95% | 0.95 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 126 | D | 89.6 | Confident | 94 | Very high | 141 Ų | 141 | 63.8 Ų | 63.8 | 75% | 0.754 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 17.4 | 178.6 | 64.6 | -27 | 0 | 0 | 0 | 113.2 | E124 | E124-D126 PolarHBondContact O-N 3.08Š|
| 127 | S | 94.4 | Very high | 93.7 | Very high | 29 Ų | 29 | 67.6 Ų | 67.6 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | trans | -54.8 | 141.8 | 178.5 | 178.4 | 0 | 0 | 0 | 0 | 112.8 | E91 E124 I129 | E91-S127 VanDerWaalsContact OE1-CA 3.3Å; E91-S127 WeakPolarHBondContact OE1-CA 3.38Å; E91-S127 VanDerWaalsContact OE1-CB 3.24Å; E91-S127 WeakPolarHBondContact OE1-CB 3.49Å; E91-S127 PolarHBondContact OE1-OG 2.95Å; E91-S127 WeakPolarHBondContact OE2-CB 3.35Å; E91-S127 PolarHBondContact OE2-OG 2.79Å; E91-S127 VanDerWaalsContact OE2-OG 3.12Å; E124-S127 VanDerWaalsContact O-CB 3.23Å; E124-S127 WeakPolarHBondContact O-CB 3.41Å; E124-S127 PolarHBondContact O-N 3.25Å; E124-S127 VanDerWaalsContact O-N 3.13Å; S127-I129 PolarHBondContact O-N 3.2Å; S127-I129 WeakPolarHBondContact OG-CB 3.45Å; S127-I129 PolarHBondContact OG-N 2.97Å | ||
| 128 | R | 95.8 | Very high | 93.5 | Very high | 154 Ų | 154 | 69.2 Ų | 69.2 | 58% | 0.581 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -82.3 | -1 | 173.2 | -61.5 | 174.9 | -176.5 | -117.1 | 3.9 | 112.4 | E91 L98 G101 | E91-R128 PolarHBondContact OE1-N 2.85Å; L98-R128 HydrophobicContact CD2-CB 4.11Å; L98-R128 HydrophobicContact CG-CB 4.34Å; L98-R128 WeakPolarHBondContact O-CD 3.3Å; G101-R128 PolarHBondContact N-O 2.93Å |
| 129 | I | 97.7 | Very high | 93.3 | Very high | 10 Ų | 10 | 71.2 Ų | 71.2 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.6 | -178.1 | -53.8 | 177.8 | 0 | 0 | 0 | 109.1 | L76 A87 E91 L98 I103 L123 S127 V131 | L76-I129 HydrophobicContact CD1-CD1 3.96Å; L76-I129 HydrophobicContact CD2-CD1 4.1Å; L76-I129 HydrophobicContact CD2-CG2 4.25Å; A87-I129 HydrophobicContact CB-CD1 4.13Å; E91-I129 HydrophobicContact CB-CD1 4.25Å; L98-I129 HydrophobicContact CD2-CD1 3.86Å; L98-I129 HydrophobicContact CD2-CG1 3.57Å; I103-I129 HydrophobicContact CB-CG2 4.45Å; I103-I129 HydrophobicContact CD1-CG2 4.12Å; I103-I129 HydrophobicContact CG1-CG2 3.98Å; I103-I129 HydrophobicContact CG2-CG2 3.81Å; L123-I129 HydrophobicContact CD1-CB 3.85Å; L123-I129 HydrophobicContact CD1-CG2 3.97Å; L123-I129 HydrophobicContact CD2-CB 4.45Å; L123-I129 HydrophobicContact CD2-CD1 3.86Å; S127-I129 PolarHBondContact O-N 3.2Å; S127-I129 WeakPolarHBondContact OG-CB 3.45Å; S127-I129 PolarHBondContact OG-N 2.97Å; I129-V131 PolarHBondContact O-N 3.22Å |
| 130 | K | 97.7 | Very high | 93.3 | Very high | 130 Ų | 130 | 69.2 Ų | 69.2 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 115.9 | 173.1 | -174.1 | 178.9 | 179.9 | -178.1 | 0 | 110.2 | G101 V102 I103 M132 | G101-K130 PolarHBondContact O-N 3Å; V102-K130 WeakPolarHBondContact CA-O 3.11Å; I103-K130 PolarHBondContact N-O 3.32Å; K130-M132 HydrophobicContact CD-CG 4.49Å; K130-M132 HydrophobicContact CD-SD 4.42Å; K130-M132 HydrophobicContact CG-CG 4.29Å |
| 131 | V | 97.9 | Very high | 93.4 | Very high | 37 Ų | 37 | 66.9 Ų | 66.9 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.4 | 172.6 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | L84 I103 V105 L123 I129 E133 | L84-V131 HydrophobicContact CD1-CG2 4.14Å; I103-V131 HydrophobicContact CD1-CB 4.47Å; I103-V131 HydrophobicContact CD1-CG1 4.34Å; I103-V131 HydrophobicContact CD1-CG2 3.87Å; I103-V131 HydrophobicContact CG1-CB 4.28Å; I103-V131 HydrophobicContact CG1-CG1 4.28Å; I103-V131 HydrophobicContact CG1-CG2 4.09Å; V105-V131 HydrophobicContact CG2-CG1 3.59Å; L123-V131 HydrophobicContact CD1-CG2 3.41Å; L123-V131 VanDerWaalsContact CD1-CG2 3.41Å; I129-V131 PolarHBondContact O-N 3.22Å; V131-E133 HydrophobicContact CG1-CG 4.4Å |
| 132 | M | 97.6 | Very high | 93.5 | Very high | 33 Ų | 33 | 71.9 Ų | 71.9 | 16% | 0.163 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 116.6 | 174 | -60.9 | -173.2 | 63 | 0 | 0 | 109.2 | V102 I103 S104 V105 K130 K146 A147 | V102-M132 HydrophobicContact CG1-SD 4.02Å; I103-M132 PolarHBondContact O-N 3.2Å; S104-M132 WeakPolarHBondContact CA-O 3.47Å; V105-M132 PolarHBondContact N-O 3.46Å; K130-M132 HydrophobicContact CD-CG 4.49Å; K130-M132 HydrophobicContact CD-SD 4.42Å; K130-M132 HydrophobicContact CG-CG 4.29Å; M132-K146 HydrophobicContact CE-CB 3.76Å; M132-A147 HydrophobicContact CB-CB 3.67Å; M132-A147 HydrophobicContact CE-CB 4Å; M132-A147 HydrophobicContact CG-CB 4.41Å; M132-A147 HydrophobicContact SD-CB 4.05Å |
| 133 | E | 97.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 73.6 Ų | 73.6 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.2 | -179.2 | -69 | -160.8 | 175.4 | 0 | 0 | 111.1 | V105 G108 Q110 V131 | V105-E133 HydrophobicContact CG2-CG 3.98Å; V105-E133 CarbonylContact O-C 3.57Å; V105-E133 VanDerWaalsContact O-CA 3.32Å; V105-E133 WeakPolarHBondContact O-CA 3.47Å; G108-E133 PolarHBondContact N-OE2 2.76Å; Q110-E133 WeakPolarHBondContact CB-OE1 3.49Å; Q110-E133 VanDerWaalsContact CG-OE1 3.26Å; Q110-E133 WeakPolarHBondContact CG-OE1 3.37Å; Q110-E133 PolarHBondContact N-OE1 3.36Å; Q110-E133 PolarHBondContact NE2-OE1 2.79Å; V131-E133 HydrophobicContact CG1-CG 4.4Å |
| 134 | G | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | -157.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | V105 P106 H107 | V105-G134 PolarHBondContact O-N 2.97Å; P106-G134 CarbonylContact C-O 3.47Å; P106-G134 WeakPolarHBondContact CA-O 3.33Å; H107-G134 PolarHBondContact N-O 2.74Å |
| 135 | A | 92.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 68 Ų | 68 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | trans | 56.3 | 51.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H137 N138 L139 D141 A174 L175 | A135-H137 PolarHBondContact O-N 3.18Å; A135-N138 PolarHBondContact O-N 2.91Å; A135-L139 CarbonylContact C-O 3.46Å; A135-L139 WeakPolarHBondContact CA-O 3.44Å; A135-D141 WeakPolarHBondContact CA-OD2 3.47Å; A135-D141 PolarHBondContact N-OD1 3.39Å; A135-D141 PolarHBondContact N-OD2 2.75Å; A135-A174 HydrophobicContact CB-CB 3.85Å; A135-L175 HydrophobicContact CB-CD2 3.53Å; A135-L175 HydrophobicContact CB-CG 3.9Å | ||
| 136 | K | 91.2 | Very high | 94.3 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -53.3 | 134.5 | 176.4 | -68.9 | 175.6 | -174.7 | 170.7 | 0 | 110.9 | H107 N138 L139 D141 | H107-K136 HydrophobicContact CB-CG 4.03Å; H107-K136 WeakPolarHBondContact CD2-CE 3.47Å; K136-N138 PolarHBondContact O-N 2.99Å; K136-L139 PolarHBondContact O-N 2.79Å; K136-D141 PolarHBondContact N-OD2 3.4Å |
| 137 | H | 85.7 | Confident | 94.6 | Very high | 186 Ų | 186 | 61 Ų | 61 | 86% | 0.861 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | 54.3 | 30.8 | -175.7 | -52 | -67.1 | 0 | 0 | 0 | 114.5 | A135 L139 | A135-H137 PolarHBondContact O-N 3.18Å; H137-L139 PolarHBondContact O-N 3.02Å |
| 138 | N | 86.7 | Confident | 94.8 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | 61.8 | 27 | 179.5 | -161.1 | 41.1 | 0 | 0 | 0 | 113.6 | A135 K136 A174 | A135-N138 PolarHBondContact O-N 2.91Å; K136-N138 PolarHBondContact O-N 2.99Å; N138-A174 WeakPolarHBondContact O-CB 3.12Å |
| 139 | L | 90.5 | Very high | 94.8 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -117.7 | 142.8 | 174.6 | -67.3 | 174.9 | 0 | 0 | 0 | 110 | A135 K136 H137 D141 | A135-L139 CarbonylContact C-O 3.46Å; A135-L139 WeakPolarHBondContact CA-O 3.44Å; K136-L139 PolarHBondContact O-N 2.79Å; H137-L139 PolarHBondContact O-N 3.02Å; L139-D141 PolarHBondContact O-N 3.34Å |
| 140 | P | 92.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 57.8 Ų | 57.8 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | trans | -51 | 136.6 | 170.6 | -24.4 | 28.7 | 0 | 0 | 0 | 113.4 | P177 L185 L189 | P140-P177 HydrophobicContact CB-CB 3.81Å; P140-P177 HydrophobicContact CB-CG 4Å; P140-P177 HydrophobicContact CG-CB 4.29Å; P140-L185 HydrophobicContact CB-CD1 3.85Å; P140-L189 HydrophobicContact CB-CD2 3.94Å; P140-L189 HydrophobicContact CG-CD2 3.64Å | ||
| 141 | D | 94.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | trans | -137.1 | 177.7 | 175.4 | 59 | 18.3 | 0 | 0 | 0 | 111.2 | A135 K136 L139 D143 S144 L145 L185 | A135-D141 WeakPolarHBondContact CA-OD2 3.47Å; A135-D141 PolarHBondContact N-OD1 3.39Å; A135-D141 PolarHBondContact N-OD2 2.75Å; K136-D141 PolarHBondContact N-OD2 3.4Å; L139-D141 PolarHBondContact O-N 3.34Å; D141-D143 PolarHBondContact O-N 2.94Å; D141-D143 PolarHBondContact OD1-N 3.17Å; D141-S144 PolarHBondContact N-OG 2.99Å; D141-S144 VanDerWaalsContact N-OG 3.08Å; D141-S144 PolarHBondContact O-N 3.08Å; D141-S144 PolarHBondContact O-OG 2.61Å; D141-S144 WeakPolarHBondContact OD1-CB 3.27Å; D141-S144 PolarHBondContact OD1-N 3.06Å; D141-S144 PolarHBondContact OD1-OG 2.97Å; D141-L145 PolarHBondContact O-N 3.33Å; D141-L185 VanDerWaalsContact C-CD2 3.49Å; D141-L185 WeakPolarHBondContact O-CD2 3.3Å | ||
| 142 | D | 95.6 | Very high | 94.8 | Very high | 110 Ų | 110 | 53 Ų | 53 | 59% | 0.588 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.2 | -30.1 | -178.1 | -66.8 | -28.7 | 0 | 0 | 0 | 112.3 | L145 K146 | D142-L145 PolarHBondContact O-N 3.07Å; D142-K146 VanDerWaalsContact O-CG 3.29Å; D142-K146 WeakPolarHBondContact O-CG 3.22Å; D142-K146 PolarHBondContact O-N 3.26Å |
| 143 | D | 96.6 | Very high | 94.7 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.9 | -40 | 179.2 | -64.6 | -37.1 | 0 | 0 | 0 | 111.2 | D141 L145 K146 A147 | D141-D143 PolarHBondContact O-N 2.94Å; D141-D143 PolarHBondContact OD1-N 3.17Å; D143-L145 VanDerWaalsContact C-N 3.31Å; D143-L145 PolarHBondContact O-N 2.93Å; D143-K146 PolarHBondContact O-N 3.31Å; D143-K146 IonicContact OD1-NZ 3.15Å; D143-K146 PolarHBondContact OD1-NZ 3.2Å; D143-A147 PolarHBondContact O-N 2.74Å |
| 144 | S | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.7 | -27.8 | 171.6 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | D141 A147 A148 A174 P177 | D141-S144 PolarHBondContact N-OG 2.99Å; D141-S144 VanDerWaalsContact N-OG 3.08Å; D141-S144 PolarHBondContact O-N 3.08Å; D141-S144 PolarHBondContact O-OG 2.61Å; D141-S144 WeakPolarHBondContact OD1-CB 3.27Å; D141-S144 PolarHBondContact OD1-N 3.06Å; D141-S144 PolarHBondContact OD1-OG 2.97Å; S144-A147 PolarHBondContact O-N 2.89Å; S144-A148 WeakPolarHBondContact O-CB 3.26Å; S144-A148 PolarHBondContact O-N 2.83Å; S144-A174 WeakPolarHBondContact CB-O 3.29Å; S144-A174 PolarHBondContact OG-O 3.29Å; S144-P177 WeakPolarHBondContact O-CD 3.45Å; S144-P177 VanDerWaalsContact OG-CG 3.3Å; S144-P177 WeakPolarHBondContact OG-CG 3.47Å |
| 145 | L | 96.5 | Very high | 94.7 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 169.1 | 177.2 | 63.9 | 0 | 0 | 0 | 111.9 | D141 D142 D143 A147 A148 E149 P177 P179 L185 | D141-L145 PolarHBondContact O-N 3.33Å; D142-L145 PolarHBondContact O-N 3.07Å; D143-L145 VanDerWaalsContact C-N 3.31Å; D143-L145 PolarHBondContact O-N 2.93Å; L145-A147 PolarHBondContact O-N 2.98Å; L145-A148 WeakPolarHBondContact O-CB 3.38Å; L145-A148 PolarHBondContact O-N 3.17Å; L145-A148 VanDerWaalsContact O-N 3.11Å; L145-E149 HydrophobicContact CD1-CG 4.48Å; L145-E149 WeakPolarHBondContact O-CG 3.42Å; L145-E149 PolarHBondContact O-N 3.33Å; L145-P177 HydrophobicContact CB-CG 4.47Å; L145-P177 VanDerWaalsContact CD1-O 3.26Å; L145-P177 WeakPolarHBondContact CD1-O 3.19Å; L145-P179 HydrophobicContact CD1-CG 4.24Å; L145-L185 HydrophobicContact CB-CD2 4.2Å; L145-L185 HydrophobicContact CD2-CB 4.23Å; L145-L185 HydrophobicContact CD2-CD2 4.42Å |
| 146 | K | 97.3 | Very high | 94.8 | Very high | 109 Ų | 109 | 57.7 Ų | 57.7 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.2 | -37.9 | 174.6 | -69.1 | 166.5 | -159.9 | 156.2 | 0 | 111.4 | M132 D142 D143 E149 G150 | M132-K146 HydrophobicContact CE-CB 3.76Å; D142-K146 VanDerWaalsContact O-CG 3.29Å; D142-K146 WeakPolarHBondContact O-CG 3.22Å; D142-K146 PolarHBondContact O-N 3.26Å; D143-K146 PolarHBondContact O-N 3.31Å; D143-K146 IonicContact OD1-NZ 3.15Å; D143-K146 PolarHBondContact OD1-NZ 3.2Å; K146-E149 PolarHBondContact O-N 3.27Å; K146-G150 PolarHBondContact O-N 3.34Å |
| 147 | A | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S104 M132 D143 S144 L145 E149 G150 I151 | S104-A147 WeakPolarHBondContact OG-CB 3.11Å; M132-A147 HydrophobicContact CB-CB 3.67Å; M132-A147 HydrophobicContact CE-CB 4Å; M132-A147 HydrophobicContact CG-CB 4.41Å; M132-A147 HydrophobicContact SD-CB 4.05Å; D143-A147 PolarHBondContact O-N 2.74Å; S144-A147 PolarHBondContact O-N 2.89Å; L145-A147 PolarHBondContact O-N 2.98Å; A147-E149 VanDerWaalsContact C-N 3.33Å; A147-E149 PolarHBondContact O-N 3.38Å; A147-G150 PolarHBondContact O-N 2.65Å; A147-I151 WeakPolarHBondContact O-CG1 3.3Å; A147-I151 PolarHBondContact O-N 2.92Å |
| 148 | A | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S144 L145 I151 K152 L176 P177 A178 L215 | S144-A148 WeakPolarHBondContact O-CB 3.26Å; S144-A148 PolarHBondContact O-N 2.83Å; L145-A148 WeakPolarHBondContact O-CB 3.38Å; L145-A148 PolarHBondContact O-N 3.17Å; L145-A148 VanDerWaalsContact O-N 3.11Å; A148-I151 PolarHBondContact O-N 3.16Å; A148-K152 WeakPolarHBondContact O-CB 3.45Å; A148-K152 PolarHBondContact O-N 3.47Å; A148-L176 HydrophobicContact CB-CD1 4.15Å; A148-P177 VanDerWaalsContact CB-O 3.27Å; A148-P177 WeakPolarHBondContact CB-O 3.33Å; A148-A178 HydrophobicContact CB-CB 4.39Å; A148-L215 HydrophobicContact CB-CD1 4.24Å; A148-L215 WeakPolarHBondContact O-CD1 3.44Å |
| 149 | E | 96.8 | Very high | 95.9 | Very high | 112 Ų | 112 | 47.9 Ų | 47.9 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -43.2 | 173.3 | -71.7 | 175.2 | 166.7 | 0 | 0 | 111.9 | L145 K146 A147 I151 K152 Q153 | L145-E149 HydrophobicContact CD1-CG 4.48Å; L145-E149 WeakPolarHBondContact O-CG 3.42Å; L145-E149 PolarHBondContact O-N 3.33Å; K146-E149 PolarHBondContact O-N 3.27Å; A147-E149 VanDerWaalsContact C-N 3.33Å; A147-E149 PolarHBondContact O-N 3.38Å; E149-I151 PolarHBondContact O-N 3.32Å; E149-K152 PolarHBondContact O-N 3.47Å; E149-Q153 WeakPolarHBondContact O-CB 3.48Å; E149-Q153 PolarHBondContact O-N 3.23Å |
| 150 | G | 97.5 | Very high | 96 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K146 A147 L154 | K146-G150 PolarHBondContact O-N 3.34Å; A147-G150 PolarHBondContact O-N 2.65Å; G150-L154 WeakPolarHBondContact O-CB 3.43Å; G150-L154 PolarHBondContact O-N 3.01Å |
| 151 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 174 | -72 | 166.7 | 0 | 0 | 0 | 110.7 | V77 F79 V102 A147 A148 E149 Q153 L154 A155 L176 L215 L220 | V77-I151 HydrophobicContact CB-CG1 4.38Å; V77-I151 HydrophobicContact CB-CG2 4.03Å; V77-I151 HydrophobicContact CG1-CB 4.48Å; V77-I151 HydrophobicContact CG1-CG1 4.38Å; V77-I151 HydrophobicContact CG1-CG2 4Å; V77-I151 HydrophobicContact CG2-CG2 4.5Å; F79-I151 HydrophobicContact CD1-CD1 4.31Å; V102-I151 HydrophobicContact CB-CG1 4.27Å; V102-I151 HydrophobicContact CG1-CG1 3.97Å; A147-I151 WeakPolarHBondContact O-CG1 3.3Å; A147-I151 PolarHBondContact O-N 2.92Å; A148-I151 PolarHBondContact O-N 3.16Å; E149-I151 PolarHBondContact O-N 3.32Å; I151-Q153 VanDerWaalsContact C-N 3.33Å; I151-Q153 PolarHBondContact O-N 2.6Å; I151-L154 PolarHBondContact O-N 3.24Å; I151-A155 WeakPolarHBondContact O-CB 3.29Å; I151-A155 PolarHBondContact O-N 3.33Å; I151-L176 HydrophobicContact CB-CD1 4.42Å; I151-L176 HydrophobicContact CD1-CD1 3.66Å; I151-L176 HydrophobicContact CG2-CD1 4.18Å; I151-L215 HydrophobicContact CG2-CD1 4.34Å; I151-L220 HydrophobicContact CG2-CD1 3.7Å |
| 152 | K | 96.6 | Very high | 96 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 177 | -179 | -171.6 | 168.3 | -164.4 | 0 | 111.2 | A148 E149 A155 T156 L214 L215 | A148-K152 WeakPolarHBondContact O-CB 3.45Å; A148-K152 PolarHBondContact O-N 3.47Å; E149-K152 PolarHBondContact O-N 3.47Å; K152-A155 PolarHBondContact O-N 2.98Å; K152-T156 PolarHBondContact O-N 3.04Å; K152-T156 PolarHBondContact O-OG1 3.45Å; K152-L214 HydrophobicContact CD-CD1 4.36Å; K152-L215 HydrophobicContact CB-CD1 4.25Å; K152-L215 HydrophobicContact CB-CD2 3.96Å; K152-L215 HydrophobicContact CG-CD2 4.12Å |
| 153 | Q | 97.1 | Very high | 96 | Very high | 104 Ų | 104 | 51.6 Ų | 51.6 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -48.3 | -179.8 | -179.3 | 179.9 | 0.6 | 0 | 0 | 110.6 | E149 I151 A155 T156 E157 | E149-Q153 WeakPolarHBondContact O-CB 3.48Å; E149-Q153 PolarHBondContact O-N 3.23Å; I151-Q153 VanDerWaalsContact C-N 3.33Å; I151-Q153 PolarHBondContact O-N 2.6Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 3.19Å; Q153-T156 PolarHBondContact O-N 3.45Å; Q153-E157 VanDerWaalsContact CG-OE1 3.24Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.37Å; Q153-E157 PolarHBondContact NE2-OE1 3.46Å; Q153-E157 WeakPolarHBondContact O-CG 3.41Å; Q153-E157 PolarHBondContact O-N 2.88Å |
| 154 | L | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 177.5 | -177.5 | 61.1 | 0 | 0 | 0 | 111.5 | V77 R100 V102 G150 I151 T156 E157 L158 | V77-L154 HydrophobicContact CG1-CD2 3.74Å; V77-L154 HydrophobicContact CG1-CG 4.39Å; R100-L154 HydrophobicContact CB-CD1 4.39Å; R100-L154 HydrophobicContact CG-CD1 4.03Å; R100-L154 HydrophobicContact CG-CD2 4.49Å; V102-L154 HydrophobicContact CG2-CD2 4.14Å; G150-L154 WeakPolarHBondContact O-CB 3.43Å; G150-L154 PolarHBondContact O-N 3.01Å; I151-L154 PolarHBondContact O-N 3.24Å; L154-T156 PolarHBondContact O-N 2.92Å; L154-E157 PolarHBondContact O-N 3.49Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å |
| 155 | A | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I151 K152 Q153 E157 L158 L164 L220 H223 A224 | I151-A155 WeakPolarHBondContact O-CB 3.29Å; I151-A155 PolarHBondContact O-N 3.33Å; K152-A155 PolarHBondContact O-N 2.98Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 3.19Å; A155-E157 VanDerWaalsContact C-N 3.26Å; A155-E157 PolarHBondContact O-N 3.35Å; A155-L158 WeakPolarHBondContact O-CB 3.47Å; A155-L158 WeakPolarHBondContact O-CG 3.42Å; A155-L158 PolarHBondContact O-N 3.27Å; A155-L164 HydrophobicContact CB-CD2 4.36Å; A155-L220 HydrophobicContact CB-CD1 3.92Å; A155-H223 CarbonylContact C-O 3.31Å; A155-H223 VanDerWaalsContact C-O 3.23Å; A155-H223 HydrophobicContact CB-CB 4.13Å; A155-A224 HydrophobicContact CB-CB 4.27Å; A155-A224 WeakPolarHBondContact O-CA 3.46Å |
| 156 | T | 95.1 | Very high | 96.3 | Very high | 81 Ų | 81 | 47.5 Ų | 47.5 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.7 | -22.2 | -178 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | K152 Q153 L154 L158 H223 | K152-T156 PolarHBondContact O-N 3.04Å; K152-T156 PolarHBondContact O-OG1 3.45Å; Q153-T156 PolarHBondContact O-N 3.45Å; L154-T156 PolarHBondContact O-N 2.92Å; T156-L158 VanDerWaalsContact C-N 3.29Å; T156-H223 VanDerWaalsContact CA-O 3.31Å; T156-H223 WeakPolarHBondContact CA-O 3.3Å; T156-H223 PolarHBondContact N-O 3.3Å; T156-H223 PolarHBondContact OG1-ND1 3.44Å |
| 157 | E | 95.4 | Very high | 96.3 | Very high | 97 Ų | 97 | 42.3 Ų | 42.3 | 45% | 0.453 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.9 | 179.4 | -72 | 167.5 | -178 | 0 | 0 | 112.9 | R100 Q153 L154 A155 | R100-E157 IonicContact CZ-OE2 2.69Å; R100-E157 IonicContact NH1-OE2 3.41Å; R100-E157 PolarHBondContact NH1-OE2 3.08Å; Q153-E157 VanDerWaalsContact CG-OE1 3.24Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.37Å; Q153-E157 PolarHBondContact NE2-OE1 3.46Å; Q153-E157 WeakPolarHBondContact O-CG 3.41Å; Q153-E157 PolarHBondContact O-N 2.88Å; L154-E157 PolarHBondContact O-N 3.49Å; A155-E157 VanDerWaalsContact C-N 3.26Å; A155-E157 PolarHBondContact O-N 3.35Å |
| 158 | L | 95.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | trans | -80.8 | 155.4 | -173 | -55 | -179.9 | 0 | 0 | 0 | 113.5 | H75 L154 A155 T156 D162 L164 A224 A227 | H75-L158 HydrophobicContact CB-CD2 3.94Å; H75-L158 VanDerWaalsContact CG-CD2 3.47Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; A155-L158 WeakPolarHBondContact O-CB 3.47Å; A155-L158 WeakPolarHBondContact O-CG 3.42Å; A155-L158 PolarHBondContact O-N 3.27Å; T156-L158 VanDerWaalsContact C-N 3.29Å; L158-D162 HydrophobicContact CB-CB 4.25Å; L158-D162 HydrophobicContact CD2-CB 4.2Å; L158-L164 HydrophobicContact CD1-CB 3.72Å; L158-L164 HydrophobicContact CD1-CD1 3.91Å; L158-L164 HydrophobicContact CD1-CD2 3.98Å; L158-L164 HydrophobicContact CD1-CG 4.07Å; L158-A224 HydrophobicContact CD1-CB 4.41Å; L158-A227 HydrophobicContact CB-CB 3.69Å; L158-A227 HydrophobicContact CD1-CB 4.11Å | ||
| 159 | T | 94.3 | Very high | 96.3 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | trans | -123.3 | 172.3 | -178.9 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | K161 D162 A227 | T159-K161 PolarHBondContact O-N 3.02Å; T159-D162 WeakPolarHBondContact CA-OD2 3.25Å; T159-D162 WeakPolarHBondContact CB-OD2 3.18Å; T159-D162 PolarHBondContact N-OD2 2.95Å; T159-D162 WeakPolarHBondContact O-CB 3.48Å; T159-D162 PolarHBondContact O-N 3.16Å; T159-D162 PolarHBondContact OG1-OD2 3.36Å; T159-A227 VanDerWaalsContact O-CA 3.28Å; T159-A227 WeakPolarHBondContact O-CA 3.34Å; T159-A227 VanDerWaalsContact O-CB 3.23Å; T159-A227 WeakPolarHBondContact O-CB 3.44Å | ||
| 160 | E | 92.9 | Very high | 96 | Very high | 142 Ų | 142 | 37.4 Ų | 37.4 | 66% | 0.664 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.1 | 178.3 | 65.1 | -169.2 | -168.2 | 0 | 0 | 114.5 | P226 | E160-P226 HydrophobicContact CB-CB 4.27Å; E160-P226 HydrophobicContact CB-CG 4.07Å |
| 161 | K | 92.7 | Very high | 95.6 | Very high | 157 Ų | 157 | 37.5 Ų | 37.5 | 68% | 0.683 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -13.3 | 177.3 | -64.9 | 179.3 | -178.2 | 174.7 | 0 | 112.6 | N73 T159 | N73-K161 WeakPolarHBondContact CB-O 3.39Å; N73-K161 PolarHBondContact ND2-O 3.42Å; T159-K161 PolarHBondContact O-N 3.02Å |
| 162 | D | 95.9 | Very high | 95.1 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | trans | -93.4 | 151.1 | -173.4 | -57.2 | -50.2 | 0 | 0 | 0 | 111.2 | H75 L158 T159 A227 Q228 | H75-D162 IonicContact NE2-OD1 3.45Å; L158-D162 HydrophobicContact CB-CB 4.25Å; L158-D162 HydrophobicContact CD2-CB 4.2Å; T159-D162 WeakPolarHBondContact CA-OD2 3.25Å; T159-D162 WeakPolarHBondContact CB-OD2 3.18Å; T159-D162 PolarHBondContact N-OD2 2.95Å; T159-D162 WeakPolarHBondContact O-CB 3.48Å; T159-D162 PolarHBondContact O-N 3.16Å; T159-D162 PolarHBondContact OG1-OD2 3.36Å; D162-A227 HydrophobicContact CB-CB 4.29Å; D162-Q228 PolarHBondContact O-N 2.97Å; D162-Q228 VanDerWaalsContact O-N 3.15Å | ||
| 163 | L | 95.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119 | 173.4 | 175.6 | 63.7 | 0 | 0 | 0 | 108.4 | L68 L70 N73 L74 H75 Q228 V230 | L68-L163 HydrophobicContact CB-CD2 4.28Å; L68-L163 HydrophobicContact CD1-CD1 4.24Å; L68-L163 HydrophobicContact CD1-CD2 4.04Å; L68-L163 HydrophobicContact CD2-CD1 4.42Å; L70-L163 HydrophobicContact CD2-CD2 3.86Å; N73-L163 PolarHBondContact O-N 3.38Å; L74-L163 HydrophobicContact CD1-CB 4.45Å; L74-L163 HydrophobicContact CD1-CD2 3.92Å; L74-L163 HydrophobicContact CD1-CG 4Å; H75-L163 PolarHBondContact N-O 3.04Å; L163-Q228 HydrophobicContact CD1-CB 3.97Å; L163-V230 HydrophobicContact CD1-CG2 3.83Å |
| 164 | L | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.5 | 172.6 | -174.6 | 58.9 | 0 | 0 | 0 | 110.4 | H75 V77 A155 L158 V166 A224 Q228 V229 V230 | H75-L164 HydrophobicContact CB-CD1 4.11Å; H75-L164 WeakPolarHBondContact O-CA 3.29Å; V77-L164 HydrophobicContact CB-CD1 4.37Å; V77-L164 HydrophobicContact CG1-CD1 3.94Å; V77-L164 HydrophobicContact CG2-CD1 3.73Å; V77-L164 HydrophobicContact CG2-CD2 4.21Å; V77-L164 HydrophobicContact CG2-CG 4.11Å; A155-L164 HydrophobicContact CB-CD2 4.36Å; L158-L164 HydrophobicContact CD1-CB 3.72Å; L158-L164 HydrophobicContact CD1-CD1 3.91Å; L158-L164 HydrophobicContact CD1-CD2 3.98Å; L158-L164 HydrophobicContact CD1-CG 4.07Å; L164-V166 HydrophobicContact CD2-CG2 4.1Å; L164-V166 HydrophobicContact CG-CG2 3.96Å; L164-A224 HydrophobicContact CD2-CB 3.46Å; L164-A224 VanDerWaalsContact CD2-CB 3.46Å; L164-Q228 PolarHBondContact N-O 2.79Å; L164-V229 HydrophobicContact CB-CG2 4.39Å; L164-V229 HydrophobicContact CD2-CG2 4.46Å; L164-V229 WeakPolarHBondContact O-CA 3.35Å; L164-V230 PolarHBondContact O-N 2.98Å |
| 165 | L | 97.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 121.9 | 168.8 | -170.8 | 68.7 | 0 | 0 | 0 | 110.1 | I63 L74 H75 L76 V77 V90 L167 V230 L232 | I63-L165 HydrophobicContact CD1-CD1 4.23Å; L74-L165 HydrophobicContact CD1-CB 3.85Å; H75-L165 PolarHBondContact O-N 3.33Å; L76-L165 WeakPolarHBondContact CA-O 3.47Å; V77-L165 PolarHBondContact N-O 2.81Å; V90-L165 HydrophobicContact CB-CD2 4.49Å; V90-L165 HydrophobicContact CG1-CD2 3.65Å; V90-L165 HydrophobicContact CG2-CD2 3.97Å; L165-L167 HydrophobicContact CD2-CD2 4.28Å; L165-L167 HydrophobicContact CG-CD2 4.21Å; L165-V230 CarbonylContact C-O 3.29Å; L165-V230 WeakPolarHBondContact CA-O 3.24Å; L165-V230 HydrophobicContact CD1-CB 4.06Å; L165-V230 HydrophobicContact CD1-CG1 3.92Å; L165-L232 HydrophobicContact CD1-CD1 4.09Å; L165-L232 HydrophobicContact CD1-CD2 4.48Å; L165-L232 HydrophobicContact CD1-CG 3.89Å; L165-L232 HydrophobicContact CD2-CD1 4.41Å |
| 166 | V | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.8 | -177.2 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | V77 F79 L164 I168 L220 V229 V230 S231 L232 T250 | V77-V166 HydrophobicContact CG2-CB 4.15Å; V77-V166 HydrophobicContact CG2-CG1 4.09Å; V77-V166 HydrophobicContact CG2-CG2 3.73Å; V77-V166 CarbonylContact O-C 3.52Å; V77-V166 WeakPolarHBondContact O-CA 3.36Å; F79-V166 HydrophobicContact CE1-CG1 3.95Å; F79-V166 HydrophobicContact CZ-CG1 4.23Å; L164-V166 HydrophobicContact CD2-CG2 4.1Å; L164-V166 HydrophobicContact CG-CG2 3.96Å; V166-I168 HydrophobicContact CG1-CD1 3.99Å; V166-I168 HydrophobicContact CG1-CG1 3.79Å; V166-L220 HydrophobicContact CG1-CD2 3.71Å; V166-L220 HydrophobicContact CG2-CD2 4.17Å; V166-V229 HydrophobicContact CG2-CG1 3.81Å; V166-V230 PolarHBondContact N-O 3.22Å; V166-S231 CarbonylContact O-C 3.28Å; V166-S231 VanDerWaalsContact O-CA 3.24Å; V166-S231 WeakPolarHBondContact O-CA 3.46Å; V166-L232 PolarHBondContact O-N 3.05Å; V166-T250 HydrophobicContact CB-CG2 4.27Å; V166-T250 HydrophobicContact CG1-CG2 4.02Å; V166-T250 HydrophobicContact CG2-CG2 4.03Å |
| 167 | L | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.3 | 176.9 | -53.9 | -176.9 | 0 | 0 | 0 | 110.3 | L76 V77 G78 F79 V83 M86 A87 V90 L165 L232 | L76-L167 HydrophobicContact CD1-CD1 4.01Å; L76-L167 HydrophobicContact CD2-CD1 4.14Å; L76-L167 HydrophobicContact CG-CD1 4.28Å; V77-L167 PolarHBondContact O-N 2.82Å; G78-L167 CarbonylContact C-O 3.6Å; G78-L167 WeakPolarHBondContact CA-O 3.45Å; F79-L167 PolarHBondContact N-O 3Å; V83-L167 HydrophobicContact CG1-CB 4.14Å; V83-L167 HydrophobicContact CG2-CB 4.23Å; V83-L167 WeakPolarHBondContact CG2-O 3.36Å; M86-L167 HydrophobicContact CB-CD1 3.91Å; M86-L167 HydrophobicContact CE-CB 4.29Å; M86-L167 HydrophobicContact CE-CD2 4.35Å; A87-L167 HydrophobicContact CB-CD1 3.86Å; V90-L167 HydrophobicContact CG2-CD1 4.27Å; V90-L167 HydrophobicContact CG2-CD2 4.11Å; L165-L167 HydrophobicContact CD2-CD2 4.28Å; L165-L167 HydrophobicContact CG-CD2 4.21Å; L167-L232 HydrophobicContact CD2-CB 3.94Å; L167-L232 HydrophobicContact CD2-CD1 3.92Å; L167-L232 HydrophobicContact CD2-CG 4.19Å |
| 168 | I | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.3 | -175.4 | -50.8 | -175 | 0 | 0 | 0 | 109.5 | F79 V166 L232 I233 L234 I245 A246 P249 | F79-I168 HydrophobicContact CE1-CG1 4.43Å; F79-I168 HydrophobicContact CE2-CB 4.36Å; F79-I168 HydrophobicContact CE2-CD1 4.36Å; F79-I168 HydrophobicContact CE2-CG1 4.01Å; F79-I168 HydrophobicContact CE2-CG2 3.85Å; F79-I168 HydrophobicContact CZ-CB 4.48Å; F79-I168 HydrophobicContact CZ-CD1 3.88Å; F79-I168 HydrophobicContact CZ-CG1 3.65Å; F79-I168 HydrophobicContact CZ-CG2 4.38Å; V166-I168 HydrophobicContact CG1-CD1 3.99Å; V166-I168 HydrophobicContact CG1-CG1 3.79Å; I168-L232 PolarHBondContact N-O 3.21Å; I168-I233 HydrophobicContact CB-CG1 4.16Å; I168-I233 HydrophobicContact CB-CG2 4.42Å; I168-I233 HydrophobicContact CD1-CD1 4.49Å; I168-I233 HydrophobicContact CD1-CG1 4.21Å; I168-I233 HydrophobicContact CG1-CG1 4.43Å; I168-I233 HydrophobicContact CG2-CG2 4.49Å; I168-I233 WeakPolarHBondContact O-CA 3.38Å; I168-L234 PolarHBondContact O-N 3.16Å; I168-I245 HydrophobicContact CG2-CG2 3.95Å; I168-A246 HydrophobicContact CG2-CB 3.8Å; I168-P249 HydrophobicContact CD1-CG 4.02Å |
| 169 | S | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | trans | -142.7 | 178.2 | 166.1 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | F79 G80 K81 A82 V83 L234 | F79-S169 PolarHBondContact O-N 2.88Å; G80-S169 VanDerWaalsContact C-OG 3.26Å; G80-S169 VanDerWaalsContact CA-OG 3.29Å; G80-S169 WeakPolarHBondContact CA-OG 3.33Å; K81-S169 PolarHBondContact N-OG 2.88Å; A82-S169 PolarHBondContact N-OG 2.62Å; V83-S169 WeakPolarHBondContact CG2-OG 3.19Å; V83-S169 PolarHBondContact N-OG 3Å; S169-L234 WeakPolarHBondContact CA-O 3.33Å | ||
| 170 | G | 90.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 144.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G80 K81 D236 | G80-G170 CarbonylContact C-O 3.55Å; G80-G170 WeakPolarHBondContact CA-O 3.47Å; K81-G170 WeakPolarHBondContact CG-O 3.24Å; K81-G170 PolarHBondContact N-O 3.36Å; G170-D236 VanDerWaalsContact CA-CG 3.46Å; G170-D236 WeakPolarHBondContact CA-OD2 3.34Å |
| 171 | G | 88.8 | Confident | 93.6 | Very high | 17 Ų | 17 | 18.7 Ų | 18.7 | 18% | 0.175 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 1.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S173 A174 L175 | G171-S173 PolarHBondContact O-N 2.93Å; G171-A174 PolarHBondContact O-N 2.72Å; G171-L175 PolarHBondContact O-N 3.28Å; G171-L175 VanDerWaalsContact O-N 3.16Å |
| 172 | G | 87.6 | Confident | 93.5 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.3 | -24 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A174 L176 | G172-A174 VanDerWaalsContact C-N 3.29Å; G172-A174 PolarHBondContact O-N 3.45Å; G172-L176 WeakPolarHBondContact O-CB 3.38Å; G172-L176 PolarHBondContact O-N 3.3Å |
| 173 | S | 86.1 | Confident | 93.4 | Very high | 45 Ų | 45 | 13.5 Ų | 13.5 | 32% | 0.315 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -59.9 | -38.2 | 172.6 | -74.8 | 0 | 0 | 0 | 0 | 113 | G171 | G171-S173 PolarHBondContact O-N 2.93Å |
| 174 | A | 92.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -90 | -31.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A135 N138 S144 G171 G172 P177 | A135-A174 HydrophobicContact CB-CB 3.85Å; N138-A174 WeakPolarHBondContact O-CB 3.12Å; S144-A174 WeakPolarHBondContact CB-O 3.29Å; S144-A174 PolarHBondContact OG-O 3.29Å; G171-A174 PolarHBondContact O-N 2.72Å; G172-A174 VanDerWaalsContact C-N 3.29Å; G172-A174 PolarHBondContact O-N 3.45Å; A174-P177 WeakPolarHBondContact O-CD 3.47Å |
| 175 | L | 96.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -91.2 | -13.9 | -175.1 | -71.8 | 164.6 | 0 | 0 | 0 | 114.3 | F79 G80 S104 V105 P106 A135 G171 | F79-L175 HydrophobicContact CB-CB 4.23Å; G80-L175 VanDerWaalsContact CA-CD1 3.42Å; S104-L175 VanDerWaalsContact CB-O 3.29Å; S104-L175 WeakPolarHBondContact CB-O 3.34Å; S104-L175 PolarHBondContact OG-O 2.79Å; V105-L175 VanDerWaalsContact C-CD2 3.42Å; V105-L175 WeakPolarHBondContact O-CD2 3.46Å; P106-L175 HydrophobicContact CG-CD1 4.12Å; A135-L175 HydrophobicContact CB-CD2 3.53Å; A135-L175 HydrophobicContact CB-CG 3.9Å; G171-L175 PolarHBondContact O-N 3.28Å; G171-L175 VanDerWaalsContact O-N 3.16Å |
| 176 | L | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | trans | -122.6 | 56.4 | 173.7 | -160.8 | 73.2 | 0 | 0 | 0 | 112.7 | F79 A148 I151 G172 A178 L215 K216 P249 | F79-L176 HydrophobicContact CB-CB 4.27Å; F79-L176 HydrophobicContact CB-CD1 4.38Å; F79-L176 HydrophobicContact CD1-CB 4.41Å; F79-L176 HydrophobicContact CD1-CD1 3.73Å; F79-L176 HydrophobicContact CD1-CD2 3.85Å; F79-L176 HydrophobicContact CD1-CG 4.21Å; F79-L176 HydrophobicContact CD2-CB 4.05Å; F79-L176 HydrophobicContact CD2-CD2 4.16Å; F79-L176 HydrophobicContact CE1-CD1 4.31Å; F79-L176 HydrophobicContact CE1-CD2 3.71Å; F79-L176 HydrophobicContact CE2-CD2 4.02Å; F79-L176 HydrophobicContact CG-CB 3.94Å; F79-L176 HydrophobicContact CG-CD1 4.04Å; F79-L176 HydrophobicContact CG-CD2 4.1Å; F79-L176 HydrophobicContact CG-CG 4.26Å; F79-L176 HydrophobicContact CZ-CD2 3.81Å; A148-L176 HydrophobicContact CB-CD1 4.15Å; I151-L176 HydrophobicContact CB-CD1 4.42Å; I151-L176 HydrophobicContact CD1-CD1 3.66Å; I151-L176 HydrophobicContact CG2-CD1 4.18Å; G172-L176 WeakPolarHBondContact O-CB 3.38Å; G172-L176 PolarHBondContact O-N 3.3Å; L176-A178 PolarHBondContact O-N 3.31Å; L176-L215 HydrophobicContact CD1-CD1 3.66Å; L176-L215 HydrophobicContact CD2-CB 3.8Å; L176-L215 HydrophobicContact CD2-CD1 4.26Å; L176-L215 HydrophobicContact CG-CB 4.13Å; L176-L215 HydrophobicContact CG-CD1 3.89Å; L176-K216 PolarHBondContact O-NZ 3.07Å; L176-P249 HydrophobicContact CD2-CB 4.08Å; L176-P249 HydrophobicContact CD2-CG 4.46Å | ||
| 177 | P | 93.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | trans | -80 | 109.9 | 176.2 | 33.8 | -32.4 | 0 | 0 | 0 | 110.2 | P140 S144 L145 A148 A174 L185 | P140-P177 HydrophobicContact CB-CB 3.81Å; P140-P177 HydrophobicContact CB-CG 4Å; P140-P177 HydrophobicContact CG-CB 4.29Å; S144-P177 WeakPolarHBondContact O-CD 3.45Å; S144-P177 VanDerWaalsContact OG-CG 3.3Å; S144-P177 WeakPolarHBondContact OG-CG 3.47Å; L145-P177 HydrophobicContact CB-CG 4.47Å; L145-P177 VanDerWaalsContact CD1-O 3.26Å; L145-P177 WeakPolarHBondContact CD1-O 3.19Å; A148-P177 VanDerWaalsContact CB-O 3.27Å; A148-P177 WeakPolarHBondContact CB-O 3.33Å; A174-P177 WeakPolarHBondContact O-CD 3.47Å; P177-L185 HydrophobicContact CB-CD1 3.74Å; P177-L185 HydrophobicContact CG-CD1 4.34Å | ||
| 178 | A | 93 | Very high | 92.3 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 7% | 0.066 | 15% | 0.146 | C | C | . | . | trans | -125.8 | 83.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A148 L176 S213 L214 L215 | A148-A178 HydrophobicContact CB-CB 4.39Å; L176-A178 PolarHBondContact O-N 3.31Å; A178-S213 CarbonylContact O-C 3.52Å; A178-S213 VanDerWaalsContact O-C 3.32Å; A178-S213 WeakPolarHBondContact O-CA 3.46Å; A178-S213 WeakPolarHBondContact O-CB 3.35Å; A178-S213 PolarHBondContact O-OG 3.46Å; A178-L214 HydrophobicContact CB-CB 4.46Å; A178-L214 VanDerWaalsContact O-CA 3.3Å; A178-L214 WeakPolarHBondContact O-CA 3.34Å; A178-L214 PolarHBondContact O-N 2.91Å; A178-L215 HydrophobicContact CB-CB 4.14Å; A178-L215 HydrophobicContact CB-CD1 3.89Å; A178-L215 HydrophobicContact CB-CG 3.7Å | ||
| 179 | P | 93.3 | Very high | 92 | Very high | 16 Ų | 16 | 24.6 Ų | 24.6 | 10% | 0.104 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -63.6 | 154.4 | 176.9 | 29.9 | -34.6 | 0 | 0 | 0 | 111.4 | L145 I183 K188 L214 | L145-P179 HydrophobicContact CD1-CG 4.24Å; P179-I183 HydrophobicContact CB-CB 4.45Å; P179-I183 HydrophobicContact CB-CG2 4.31Å; P179-I183 WeakPolarHBondContact CB-O 3.41Å; P179-K188 HydrophobicContact CB-CB 4.46Å; P179-K188 HydrophobicContact CB-CD 3.94Å; P179-L214 WeakPolarHBondContact O-CD1 3.49Å |
| 180 | I | 90.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.062 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -87.8 | 121.9 | 178.2 | -61 | 174.9 | 0 | 0 | 0 | 109.1 | I183 A211 L214 V280 | I180-I183 WeakPolarHBondContact O-CA 3.12Å; I180-I183 WeakPolarHBondContact O-CB 3.08Å; I180-I183 WeakPolarHBondContact O-CG1 3.43Å; I180-I183 PolarHBondContact O-N 3.2Å; I180-A211 WeakPolarHBondContact CD1-O 3.07Å; I180-L214 HydrophobicContact CB-CD2 4.26Å; I180-L214 HydrophobicContact CG1-CD2 3.84Å; I180-L214 HydrophobicContact CG1-CG 3.98Å; I180-L214 HydrophobicContact CG2-CD2 4.17Å; I180-V280 HydrophobicContact CB-CG1 4.27Å; I180-V280 HydrophobicContact CB-CG2 4.41Å; I180-V280 HydrophobicContact CD1-CG1 4.05Å; I180-V280 HydrophobicContact CG2-CG1 4.1Å; I180-V280 HydrophobicContact CG2-CG2 4.02Å |
| 181 | P | 88.5 | Confident | 91.8 | Very high | 83 Ų | 83 | 26.9 Ų | 26.9 | 54% | 0.539 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 135.9 | 174.8 | -26.1 | 34.6 | 0 | 0 | 0 | 112 | R283 | P181-R283 PolarHBondContact O-NH2 2.84Š|
| 182 | P | 91.1 | Very high | 91.8 | Very high | 68 Ų | 68 | 27 Ų | 27 | 44% | 0.442 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.9 | 12.1 | 12 | 36.2 | -36.3 | 0 | 0 | 0 | 115.7 | S184 | P182-S184 PolarHBondContact O-N 2.97Š|
| 183 | I | 92.6 | Very high | 92 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | trans | -66.6 | 127.8 | 179.7 | -55.6 | 166.5 | 0 | 0 | 0 | 109.9 | P179 I180 E187 K188 L212 V277 V280 | P179-I183 HydrophobicContact CB-CB 4.45Å; P179-I183 HydrophobicContact CB-CG2 4.31Å; P179-I183 WeakPolarHBondContact CB-O 3.41Å; I180-I183 WeakPolarHBondContact O-CA 3.12Å; I180-I183 WeakPolarHBondContact O-CB 3.08Å; I180-I183 WeakPolarHBondContact O-CG1 3.43Å; I180-I183 PolarHBondContact O-N 3.2Å; I183-E187 HydrophobicContact CG2-CB 4.01Å; I183-K188 HydrophobicContact CG2-CB 4.21Å; I183-L212 HydrophobicContact CD1-CB 4.41Å; I183-L212 HydrophobicContact CD1-CD2 3.83Å; I183-V277 HydrophobicContact CD1-CG2 4.21Å; I183-V277 HydrophobicContact CG1-CG2 4.19Å; I183-V277 HydrophobicContact CG2-CG2 4.38Å; I183-V280 HydrophobicContact CD1-CB 3.87Å; I183-V280 HydrophobicContact CD1-CG1 4.15Å; I183-V280 HydrophobicContact CD1-CG2 3.65Å; I183-V280 HydrophobicContact CG1-CG2 3.92Å | ||
| 184 | S | 94.2 | Very high | 92.3 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | trans | -80.6 | 161.4 | 171.7 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | P182 Q186 E187 K188 | P182-S184 PolarHBondContact O-N 2.97Å; S184-Q186 PolarHBondContact O-N 2.92Å; S184-E187 WeakPolarHBondContact CB-OE2 3.48Å; S184-E187 PolarHBondContact N-OE2 3.26Å; S184-E187 PolarHBondContact O-N 3.43Å; S184-E187 WeakPolarHBondContact OG-CB 3.27Å; S184-E187 VanDerWaalsContact OG-CD 3.32Å; S184-E187 VanDerWaalsContact OG-CG 3.22Å; S184-E187 WeakPolarHBondContact OG-CG 3.05Å; S184-E187 PolarHBondContact OG-N 3.29Å; S184-E187 PolarHBondContact OG-OE2 3.13Å; S184-K188 PolarHBondContact O-N 2.82Å; S184-K188 VanDerWaalsContact O-N 3.13Å | ||
| 185 | L | 93.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57 | -42.6 | 173.1 | -179 | 63.2 | 0 | 0 | 0 | 111.7 | P140 D141 L145 P177 K188 L189 | P140-L185 HydrophobicContact CB-CD1 3.85Å; D141-L185 VanDerWaalsContact C-CD2 3.49Å; D141-L185 WeakPolarHBondContact O-CD2 3.3Å; L145-L185 HydrophobicContact CB-CD2 4.2Å; L145-L185 HydrophobicContact CD2-CB 4.23Å; L145-L185 HydrophobicContact CD2-CD2 4.42Å; P177-L185 HydrophobicContact CB-CD1 3.74Å; P177-L185 HydrophobicContact CG-CD1 4.34Å; L185-K188 PolarHBondContact O-N 3.43Å; L185-L189 HydrophobicContact CG-CD1 4.22Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 2.96Å |
| 186 | Q | 92.8 | Very high | 92 | Very high | 98 Ų | 98 | 38.6 Ų | 38.6 | 46% | 0.458 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -45.8 | -179 | -174.2 | 54 | 42 | 0 | 0 | 111.8 | S184 K188 L189 D190 | S184-Q186 PolarHBondContact O-N 2.92Å; Q186-K188 VanDerWaalsContact C-N 3.34Å; Q186-K188 PolarHBondContact O-N 2.93Å; Q186-L189 WeakPolarHBondContact O-CB 3.17Å; Q186-L189 PolarHBondContact O-N 3.01Å; Q186-D190 VanDerWaalsContact NE2-CG 3.27Å; Q186-D190 PolarHBondContact NE2-OD1 3.42Å; Q186-D190 PolarHBondContact NE2-OD2 3.46Å; Q186-D190 WeakPolarHBondContact O-CB 3.38Å; Q186-D190 VanDerWaalsContact O-CG 3.26Å; Q186-D190 PolarHBondContact O-N 2.64Å |
| 187 | E | 92.6 | Very high | 91.8 | Very high | 47 Ų | 47 | 43 Ų | 43 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.2 | -73.9 | 165.7 | 126.3 | 0 | 0 | 111.7 | I183 S184 L189 D190 V191 P274 S276 | I183-E187 HydrophobicContact CG2-CB 4.01Å; S184-E187 WeakPolarHBondContact CB-OE2 3.48Å; S184-E187 PolarHBondContact N-OE2 3.26Å; S184-E187 PolarHBondContact O-N 3.43Å; S184-E187 WeakPolarHBondContact OG-CB 3.27Å; S184-E187 VanDerWaalsContact OG-CD 3.32Å; S184-E187 VanDerWaalsContact OG-CG 3.22Å; S184-E187 WeakPolarHBondContact OG-CG 3.05Å; S184-E187 PolarHBondContact OG-N 3.29Å; S184-E187 PolarHBondContact OG-OE2 3.13Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.31Å; E187-D190 PolarHBondContact O-N 3.2Å; E187-V191 WeakPolarHBondContact O-CG2 3.43Å; E187-V191 PolarHBondContact O-N 3.37Å; E187-P274 HydrophobicContact CB-CG 4.24Å; E187-P274 HydrophobicContact CG-CB 4.16Å; E187-P274 HydrophobicContact CG-CG 3.99Å; E187-P274 WeakPolarHBondContact OE1-CB 3.49Å; E187-S276 PolarHBondContact OE1-OG 3.13Å; E187-S276 PolarHBondContact OE2-OG 3.5Å |
| 188 | K | 91.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 177.4 | -179.9 | 174.3 | 179.1 | 169.3 | 0 | 112.4 | P179 I183 S184 L185 Q186 T192 L212 S213 | P179-K188 HydrophobicContact CB-CB 4.46Å; P179-K188 HydrophobicContact CB-CD 3.94Å; I183-K188 HydrophobicContact CG2-CB 4.21Å; S184-K188 PolarHBondContact O-N 2.82Å; S184-K188 VanDerWaalsContact O-N 3.13Å; L185-K188 PolarHBondContact O-N 3.43Å; Q186-K188 VanDerWaalsContact C-N 3.34Å; Q186-K188 PolarHBondContact O-N 2.93Å; K188-T192 PolarHBondContact O-N 2.63Å; K188-T192 PolarHBondContact O-OG1 3.18Å; K188-L212 PolarHBondContact NZ-O 3.13Å; K188-S213 PolarHBondContact NZ-OG 3.35Å |
| 189 | L | 91.2 | Very high | 91.5 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 174.3 | -74.3 | 173.9 | 0 | 0 | 0 | 111.1 | P140 L185 Q186 E187 T192 R193 | P140-L189 HydrophobicContact CB-CD2 3.94Å; P140-L189 HydrophobicContact CG-CD2 3.64Å; L185-L189 HydrophobicContact CG-CD1 4.22Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 2.96Å; Q186-L189 WeakPolarHBondContact O-CB 3.17Å; Q186-L189 PolarHBondContact O-N 3.01Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.31Å; L189-T192 WeakPolarHBondContact O-CB 3.32Å; L189-T192 PolarHBondContact O-N 2.65Å; L189-R193 VanDerWaalsContact O-CG 3.31Å; L189-R193 WeakPolarHBondContact O-CG 3.43Å; L189-R193 PolarHBondContact O-N 3.13Å |
| 190 | D | 91.6 | Very high | 91.3 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | -177.9 | -69.8 | -24.6 | 0 | 0 | 0 | 112.6 | Q186 E187 T192 R193 R194 | Q186-D190 VanDerWaalsContact NE2-CG 3.27Å; Q186-D190 PolarHBondContact NE2-OD1 3.42Å; Q186-D190 PolarHBondContact NE2-OD2 3.46Å; Q186-D190 WeakPolarHBondContact O-CB 3.38Å; Q186-D190 VanDerWaalsContact O-CG 3.26Å; Q186-D190 PolarHBondContact O-N 2.64Å; E187-D190 PolarHBondContact O-N 3.2Å; D190-T192 VanDerWaalsContact C-N 3.32Å; D190-T192 PolarHBondContact O-N 2.89Å; D190-R193 PolarHBondContact O-N 2.88Å; D190-R193 IonicContact OD1-CZ 2.85Å; D190-R193 IonicContact OD1-NH1 3.98Å; D190-R193 PolarHBondContact OD1-NH1 3.38Å; D190-R194 WeakPolarHBondContact O-CB 3.49Å; D190-R194 VanDerWaalsContact O-CG 3.27Å; D190-R194 WeakPolarHBondContact O-CG 3.13Å; D190-R194 PolarHBondContact O-N 2.89Å |
| 191 | V | 91.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 170.9 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | E187 R193 R194 L195 V208 L212 M273 V277 | E187-V191 WeakPolarHBondContact O-CG2 3.43Å; E187-V191 PolarHBondContact O-N 3.37Å; V191-R193 PolarHBondContact O-N 2.8Å; V191-R194 PolarHBondContact O-N 3.03Å; V191-L195 HydrophobicContact CG1-CD1 4Å; V191-L195 PolarHBondContact O-N 2.85Å; V191-V208 HydrophobicContact CG1-CG1 4.04Å; V191-L212 HydrophobicContact CB-CD1 4.42Å; V191-L212 HydrophobicContact CG1-CD1 4.01Å; V191-M273 HydrophobicContact CB-SD 4.39Å; V191-M273 HydrophobicContact CG1-SD 4.03Å; V191-M273 HydrophobicContact CG2-SD 3.79Å; V191-V277 HydrophobicContact CG2-CG1 4.47Å; V191-V277 HydrophobicContact CG2-CG2 3.92Å |
| 192 | T | 90.1 | Very high | 91 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | -179.3 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | K188 L189 D190 L195 A196 L205 R209 | K188-T192 PolarHBondContact O-N 2.63Å; K188-T192 PolarHBondContact O-OG1 3.18Å; L189-T192 WeakPolarHBondContact O-CB 3.32Å; L189-T192 PolarHBondContact O-N 2.65Å; D190-T192 VanDerWaalsContact C-N 3.32Å; D190-T192 PolarHBondContact O-N 2.89Å; T192-L195 PolarHBondContact O-N 2.89Å; T192-A196 WeakPolarHBondContact O-CB 3.49Å; T192-A196 PolarHBondContact O-N 3.17Å; T192-L205 HydrophobicContact CG2-CD2 4.43Å; T192-R209 VanDerWaalsContact CG2-NE 3.28Å |
| 193 | R | 91.1 | Very high | 90.7 | Very high | 124 Ų | 124 | 52.2 Ų | 52.2 | 47% | 0.468 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.7 | -72.3 | 171.8 | -169.8 | 161.7 | -5.5 | 111.7 | L189 D190 V191 A196 A197 | L189-R193 VanDerWaalsContact O-CG 3.31Å; L189-R193 WeakPolarHBondContact O-CG 3.43Å; L189-R193 PolarHBondContact O-N 3.13Å; D190-R193 PolarHBondContact O-N 2.88Å; D190-R193 IonicContact OD1-CZ 2.85Å; D190-R193 IonicContact OD1-NH1 3.98Å; D190-R193 PolarHBondContact OD1-NH1 3.38Å; V191-R193 PolarHBondContact O-N 2.8Å; R193-A196 PolarHBondContact O-N 3.43Å; R193-A197 WeakPolarHBondContact O-CB 3.35Å; R193-A197 PolarHBondContact O-N 3.33Å |
| 194 | R | 92.6 | Very high | 90.6 | Very high | 117 Ų | 117 | 52.9 Ų | 52.9 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 178.9 | -73.5 | 175.7 | -174.5 | -148 | 5.7 | 112.1 | D190 V191 A197 A198 L269 S272 | D190-R194 WeakPolarHBondContact O-CB 3.49Å; D190-R194 VanDerWaalsContact O-CG 3.27Å; D190-R194 WeakPolarHBondContact O-CG 3.13Å; D190-R194 PolarHBondContact O-N 2.89Å; V191-R194 PolarHBondContact O-N 3.03Å; R194-A197 PolarHBondContact O-N 3.34Å; R194-A198 WeakPolarHBondContact O-CB 3.35Å; R194-A198 PolarHBondContact O-N 2.98Å; R194-L269 HydrophobicContact CB-CD1 4.12Å; R194-L269 HydrophobicContact CB-CD2 4.15Å; R194-S272 PolarHBondContact NH1-O 3.4Å; R194-S272 PolarHBondContact NH1-OG 3.41Å |
| 195 | L | 91.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.3 | -82.1 | 164.3 | 0 | 0 | 0 | 111.8 | V191 T192 A197 A198 G199 A200 L205 V208 I263 L264 H267 L269 | V191-L195 HydrophobicContact CG1-CD1 4Å; V191-L195 PolarHBondContact O-N 2.85Å; T192-L195 PolarHBondContact O-N 2.89Å; L195-A197 VanDerWaalsContact C-N 3.34Å; L195-A197 PolarHBondContact O-N 3.23Å; L195-A198 CarbonylContact O-C 3.51Å; L195-A198 PolarHBondContact O-N 3.04Å; L195-A198 VanDerWaalsContact O-N 3.14Å; L195-G199 PolarHBondContact O-N 2.89Å; L195-A200 HydrophobicContact CB-CB 4.04Å; L195-A200 HydrophobicContact CD2-CB 4.12Å; L195-A200 WeakPolarHBondContact O-CB 3.44Å; L195-A200 PolarHBondContact O-N 2.84Å; L195-L205 HydrophobicContact CB-CD2 3.43Å; L195-L205 VanDerWaalsContact CB-CD2 3.43Å; L195-L205 HydrophobicContact CD1-CD2 4.4Å; L195-V208 HydrophobicContact CD1-CB 3.88Å; L195-V208 HydrophobicContact CD1-CG1 3.78Å; L195-V208 HydrophobicContact CD1-CG2 3.73Å; L195-I263 HydrophobicContact CD2-CG2 4.22Å; L195-L264 HydrophobicContact CD1-CD2 4.21Å; L195-L264 HydrophobicContact CD2-CD2 4.19Å; L195-L264 HydrophobicContact CG-CD2 4.38Å; L195-H267 HydrophobicContact CD2-CB 4.39Å; L195-L269 HydrophobicContact CB-CD1 4.45Å; L195-L269 HydrophobicContact CD2-CD1 3.75Å; L195-L269 HydrophobicContact CG-CD1 3.85Å |
| 196 | A | 89.7 | Confident | 90.1 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 44% | 0.438 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T192 R193 A198 G199 L205 | T192-A196 WeakPolarHBondContact O-CB 3.49Å; T192-A196 PolarHBondContact O-N 3.17Å; R193-A196 PolarHBondContact O-N 3.43Å; A196-A198 PolarHBondContact O-N 3.11Å; A196-G199 PolarHBondContact O-N 3.28Å; A196-G199 VanDerWaalsContact O-N 3.09Å; A196-L205 HydrophobicContact CB-CD1 4.27Å; A196-L205 HydrophobicContact CB-CD2 4.41Å |
| 197 | A | 91.3 | Very high | 89.9 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 78% | 0.777 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65 | -27.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | R193 R194 L195 G199 | R193-A197 WeakPolarHBondContact O-CB 3.35Å; R193-A197 PolarHBondContact O-N 3.33Å; R194-A197 PolarHBondContact O-N 3.34Å; L195-A197 VanDerWaalsContact C-N 3.34Å; L195-A197 PolarHBondContact O-N 3.23Å; A197-G199 PolarHBondContact O-N 2.85Å |
| 198 | A | 90.8 | Very high | 89.7 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 7.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | R194 L195 A196 H267 L269 | R194-A198 WeakPolarHBondContact O-CB 3.35Å; R194-A198 PolarHBondContact O-N 2.98Å; L195-A198 CarbonylContact O-C 3.51Å; L195-A198 PolarHBondContact O-N 3.04Å; L195-A198 VanDerWaalsContact O-N 3.14Å; A196-A198 PolarHBondContact O-N 3.11Å; A198-H267 HydrophobicContact CB-CB 3.98Å; A198-H267 PolarHBondContact O-ND1 3.36Å; A198-H267 VanDerWaalsContact O-ND1 3.1Å; A198-L269 HydrophobicContact CB-CD1 4.17Å |
| 199 | G | 89.3 | Confident | 89.6 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 62% | 0.619 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 23.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | L195 A196 A197 | L195-G199 PolarHBondContact O-N 2.89Å; A196-G199 PolarHBondContact O-N 3.28Å; A196-G199 VanDerWaalsContact O-N 3.09Å; A197-G199 PolarHBondContact O-N 2.85Å |
| 200 | A | 90.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | trans | -61.7 | 138.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | L195 E204 L205 H267 | L195-A200 HydrophobicContact CB-CB 4.04Å; L195-A200 HydrophobicContact CD2-CB 4.12Å; L195-A200 WeakPolarHBondContact O-CB 3.44Å; L195-A200 PolarHBondContact O-N 2.84Å; A200-E204 HydrophobicContact CB-CB 4.33Å; A200-L205 HydrophobicContact CB-CD2 4.31Å; A200-L205 HydrophobicContact CB-CG 4.17Å; A200-H267 VanDerWaalsContact CA-CE1 3.41Å; A200-H267 WeakPolarHBondContact CA-CE1 3.42Å | ||
| 201 | T | 88.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | trans | -65.6 | 159.5 | 175.2 | 62.1 | 0 | 0 | 0 | 0 | 111 | Q203 E204 L205 | T201-Q203 PolarHBondContact O-N 2.87Å; T201-E204 WeakPolarHBondContact CB-OE2 3.49Å; T201-E204 WeakPolarHBondContact CG2-OE2 3.32Å; T201-E204 PolarHBondContact N-OE2 3.38Å; T201-E204 PolarHBondContact O-N 3.37Å; T201-E204 WeakPolarHBondContact OG1-CB 3.41Å; T201-E204 VanDerWaalsContact OG1-CD 3.25Å; T201-E204 WeakPolarHBondContact OG1-CG 3.4Å; T201-E204 PolarHBondContact OG1-N 2.94Å; T201-E204 PolarHBondContact OG1-OE2 2.75Å; T201-L205 WeakPolarHBondContact O-CG 3.37Å; T201-L205 PolarHBondContact O-N 3.43Å | ||
| 202 | I | 83.8 | Confident | 89.2 | Confident | 91 Ų | 91 | 48 Ų | 48 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.1 | -33.2 | 177.4 | -171.7 | 58.3 | 0 | 0 | 0 | 111.8 | L205 N206 | I202-L205 PolarHBondContact O-N 2.86Å; I202-N206 VanDerWaalsContact O-CB 3.32Å; I202-N206 WeakPolarHBondContact O-CB 3.5Å; I202-N206 PolarHBondContact O-N 2.85Å; I202-N206 PolarHBondContact O-ND2 3.11Å |
| 203 | Q | 86.1 | Confident | 89.2 | Confident | 112 Ų | 112 | 47 Ų | 47 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 176.1 | -63.4 | 82.1 | -3.8 | 0 | 0 | 110.8 | T201 N206 K207 | T201-Q203 PolarHBondContact O-N 2.87Å; Q203-N206 PolarHBondContact O-N 2.7Å; Q203-K207 WeakPolarHBondContact O-CG 3.35Å; Q203-K207 PolarHBondContact O-N 2.74Å |
| 204 | E | 89.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.2 | -74 | 164.7 | 145.1 | 0 | 0 | 111.3 | A200 T201 N206 K207 V208 I263 R266 H267 | A200-E204 HydrophobicContact CB-CB 4.33Å; T201-E204 WeakPolarHBondContact CB-OE2 3.49Å; T201-E204 WeakPolarHBondContact CG2-OE2 3.32Å; T201-E204 PolarHBondContact N-OE2 3.38Å; T201-E204 PolarHBondContact O-N 3.37Å; T201-E204 WeakPolarHBondContact OG1-CB 3.41Å; T201-E204 VanDerWaalsContact OG1-CD 3.25Å; T201-E204 WeakPolarHBondContact OG1-CG 3.4Å; T201-E204 PolarHBondContact OG1-N 2.94Å; T201-E204 PolarHBondContact OG1-OE2 2.75Å; E204-N206 VanDerWaalsContact C-N 3.31Å; E204-N206 PolarHBondContact O-N 2.95Å; E204-K207 WeakPolarHBondContact O-CB 3.37Å; E204-K207 PolarHBondContact O-N 3.32Å; E204-V208 WeakPolarHBondContact O-CG2 3.45Å; E204-V208 PolarHBondContact O-N 3.08Å; E204-I263 HydrophobicContact CB-CD1 4.29Å; E204-I263 HydrophobicContact CB-CG2 3.94Å; E204-I263 HydrophobicContact CG-CD1 4.13Å; E204-I263 HydrophobicContact CG-CG1 4.15Å; E204-I263 HydrophobicContact CG-CG2 4.14Å; E204-R266 IonicContact OE1-CZ 3.06Å; E204-R266 IonicContact OE1-NH1 3.47Å; E204-R266 PolarHBondContact OE1-NH1 3.1Å; E204-H267 IonicContact OE1-NE2 3.75Å; E204-H267 IonicContact OE2-NE2 3.71Å |
| 205 | L | 88.8 | Confident | 89.2 | Confident | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.6 | -46.2 | 175.7 | -74.3 | 171.8 | 0 | 0 | 0 | 111.6 | T192 L195 A196 A200 T201 I202 V208 R209 | T192-L205 HydrophobicContact CG2-CD2 4.43Å; L195-L205 HydrophobicContact CB-CD2 3.43Å; L195-L205 VanDerWaalsContact CB-CD2 3.43Å; L195-L205 HydrophobicContact CD1-CD2 4.4Å; A196-L205 HydrophobicContact CB-CD1 4.27Å; A196-L205 HydrophobicContact CB-CD2 4.41Å; A200-L205 HydrophobicContact CB-CD2 4.31Å; A200-L205 HydrophobicContact CB-CG 4.17Å; T201-L205 WeakPolarHBondContact O-CG 3.37Å; T201-L205 PolarHBondContact O-N 3.43Å; I202-L205 PolarHBondContact O-N 2.86Å; L205-V208 PolarHBondContact O-N 3.2Å; L205-R209 WeakPolarHBondContact O-CB 3.49Å; L205-R209 WeakPolarHBondContact O-CG 3.42Å; L205-R209 PolarHBondContact O-N 3.13Å |
| 206 | N | 86.9 | Confident | 89.2 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 9% | 0.086 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68 | -35.4 | 179.9 | -73.5 | -15.2 | 0 | 0 | 0 | 112.3 | I202 Q203 E204 R210 | I202-N206 VanDerWaalsContact O-CB 3.32Å; I202-N206 WeakPolarHBondContact O-CB 3.5Å; I202-N206 PolarHBondContact O-N 2.85Å; I202-N206 PolarHBondContact O-ND2 3.11Å; Q203-N206 PolarHBondContact O-N 2.7Å; E204-N206 VanDerWaalsContact C-N 3.31Å; E204-N206 PolarHBondContact O-N 2.95Å; N206-R210 WeakPolarHBondContact O-CB 3.26Å; N206-R210 VanDerWaalsContact O-CG 3.26Å; N206-R210 WeakPolarHBondContact O-CG 3.37Å; N206-R210 PolarHBondContact O-N 2.84Å; N206-R210 PolarHBondContact O-NE 3.25Å |
| 207 | K | 88.9 | Confident | 89 | Confident | 70 Ų | 70 | 35 Ų | 35 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.9 | -51.4 | 171.7 | -77.4 | -173.7 | 172.5 | -151.3 | 0 | 111.4 | Q203 E204 R209 R210 A211 E259 I263 | Q203-K207 WeakPolarHBondContact O-CG 3.35Å; Q203-K207 PolarHBondContact O-N 2.74Å; E204-K207 WeakPolarHBondContact O-CB 3.37Å; E204-K207 PolarHBondContact O-N 3.32Å; K207-R209 PolarHBondContact O-N 2.93Å; K207-R210 PolarHBondContact O-N 3.09Å; K207-A211 PolarHBondContact O-N 2.91Å; K207-E259 IonicContact NZ-OE1 3.24Å; K207-E259 IonicContact NZ-OE2 2.8Å; K207-E259 PolarHBondContact NZ-OE2 3.46Å; K207-I263 HydrophobicContact CB-CD1 4.09Å; K207-I263 HydrophobicContact CD-CD1 3.95Å |
| 208 | V | 89.6 | Confident | 88.9 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 178.6 | -177 | 0 | 0 | 0 | 0 | 111.2 | V191 L195 E204 L205 R210 A211 L212 V260 I263 | V191-V208 HydrophobicContact CG1-CG1 4.04Å; L195-V208 HydrophobicContact CD1-CB 3.88Å; L195-V208 HydrophobicContact CD1-CG1 3.78Å; L195-V208 HydrophobicContact CD1-CG2 3.73Å; E204-V208 WeakPolarHBondContact O-CG2 3.45Å; E204-V208 PolarHBondContact O-N 3.08Å; L205-V208 PolarHBondContact O-N 3.2Å; V208-R210 VanDerWaalsContact C-N 3.3Å; V208-R210 PolarHBondContact O-N 2.66Å; V208-A211 PolarHBondContact O-N 2.97Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.26Å; V208-L212 WeakPolarHBondContact O-CG 3.39Å; V208-L212 PolarHBondContact O-N 3.23Å; V208-V260 HydrophobicContact CB-CG1 4.5Å; V208-V260 HydrophobicContact CG1-CG1 4.25Å; V208-V260 HydrophobicContact CG2-CG1 4.08Å; V208-I263 HydrophobicContact CG2-CG2 4.11Å |
| 209 | R | 88.5 | Confident | 88.8 | Confident | 60 Ų | 60 | 28.5 Ų | 28.5 | 23% | 0.226 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -38.6 | 177.5 | -75.8 | 169.6 | 179 | 179 | 0.8 | 112.8 | T192 L205 K207 S213 | T192-R209 VanDerWaalsContact CG2-NE 3.28Å; L205-R209 WeakPolarHBondContact O-CB 3.49Å; L205-R209 WeakPolarHBondContact O-CG 3.42Å; L205-R209 PolarHBondContact O-N 3.13Å; K207-R209 PolarHBondContact O-N 2.93Å; R209-S213 VanDerWaalsContact O-CB 3.27Å; R209-S213 WeakPolarHBondContact O-CB 3.31Å |
| 210 | R | 88.2 | Confident | 89 | Confident | 16 Ų | 16 | 25.7 Ų | 25.7 | 6% | 0.06 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.6 | -48.1 | 175 | -77.4 | -179.1 | -82.8 | -160.9 | 8 | 110.8 | N206 K207 V208 L212 S213 K216 D243 V255 | N206-R210 WeakPolarHBondContact O-CB 3.26Å; N206-R210 VanDerWaalsContact O-CG 3.26Å; N206-R210 WeakPolarHBondContact O-CG 3.37Å; N206-R210 PolarHBondContact O-N 2.84Å; N206-R210 PolarHBondContact O-NE 3.25Å; K207-R210 PolarHBondContact O-N 3.09Å; V208-R210 VanDerWaalsContact C-N 3.3Å; V208-R210 PolarHBondContact O-N 2.66Å; R210-L212 VanDerWaalsContact C-N 3.26Å; R210-L212 PolarHBondContact O-N 3.44Å; R210-S213 PolarHBondContact O-N 3.32Å; R210-S213 VanDerWaalsContact O-N 3.16Å; R210-K216 HydrophobicContact CG-CB 4.24Å; R210-D243 IonicContact CZ-OD2 3.71Å; R210-D243 PolarHBondContact NH1-O 3.35Å; R210-D243 IonicContact NH1-OD2 2.63Å; R210-D243 PolarHBondContact NH1-OD2 3.3Å; R210-V255 HydrophobicContact CB-CG2 4.04Å |
| 211 | A | 87.7 | Confident | 89.1 | Confident | 17 Ų | 17 | 25.5 Ų | 25.5 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.8 | -36.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | I180 K207 V208 S213 V255 V260 L281 | I180-A211 WeakPolarHBondContact CD1-O 3.07Å; K207-A211 PolarHBondContact O-N 2.91Å; V208-A211 PolarHBondContact O-N 2.97Å; A211-S213 VanDerWaalsContact C-N 3.32Å; A211-S213 PolarHBondContact O-N 3.04Å; A211-V255 HydrophobicContact CB-CG1 3.92Å; A211-V260 HydrophobicContact CB-CG1 4.42Å; A211-V260 HydrophobicContact CB-CG2 3.55Å; A211-L281 HydrophobicContact CB-CD2 4.42Å |
| 212 | L | 89.8 | Confident | 89.2 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 23.1 | -178.8 | -53.8 | -179.2 | 0 | 0 | 0 | 113.1 | I183 K188 V191 V208 R210 V277 L281 | I183-L212 HydrophobicContact CD1-CB 4.41Å; I183-L212 HydrophobicContact CD1-CD2 3.83Å; K188-L212 PolarHBondContact NZ-O 3.13Å; V191-L212 HydrophobicContact CB-CD1 4.42Å; V191-L212 HydrophobicContact CG1-CD1 4.01Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.26Å; V208-L212 WeakPolarHBondContact O-CG 3.39Å; V208-L212 PolarHBondContact O-N 3.23Å; R210-L212 VanDerWaalsContact C-N 3.26Å; R210-L212 PolarHBondContact O-N 3.44Å; L212-V277 HydrophobicContact CD1-CG1 4.28Å; L212-V277 HydrophobicContact CD2-CG1 3.99Å; L212-L281 HydrophobicContact CD2-CD2 4.09Å; L212-L281 HydrophobicContact CD2-CG 4.31Å |
| 213 | S | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -140.8 | 112.9 | -172.5 | -158.4 | 0 | 0 | 0 | 0 | 118.4 | A178 K188 R209 R210 A211 L215 K216 R287 | A178-S213 CarbonylContact O-C 3.52Å; A178-S213 VanDerWaalsContact O-C 3.32Å; A178-S213 WeakPolarHBondContact O-CA 3.46Å; A178-S213 WeakPolarHBondContact O-CB 3.35Å; A178-S213 PolarHBondContact O-OG 3.46Å; K188-S213 PolarHBondContact NZ-OG 3.35Å; R209-S213 VanDerWaalsContact O-CB 3.27Å; R209-S213 WeakPolarHBondContact O-CB 3.31Å; R210-S213 PolarHBondContact O-N 3.32Å; R210-S213 VanDerWaalsContact O-N 3.16Å; A211-S213 VanDerWaalsContact C-N 3.32Å; A211-S213 PolarHBondContact O-N 3.04Å; S213-L215 PolarHBondContact O-N 2.76Å; S213-K216 PolarHBondContact O-N 3.13Å; S213-R287 VanDerWaalsContact C-CZ 3.45Å; S213-R287 PolarHBondContact O-NE 3.29Å; S213-R287 PolarHBondContact O-NH1 2.85Å; S213-R287 PolarHBondContact O-NH2 2.88Å |
| 214 | L | 91 | Very high | 89.9 | Confident | 32 Ų | 32 | 17.1 Ų | 17.1 | 17% | 0.168 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 17.1 | -86.9 | 132.5 | 32.2 | 121.1 | 0 | 0 | 0 | 119.1 | K152 A178 P179 I180 R287 | K152-L214 HydrophobicContact CD-CD1 4.36Å; A178-L214 HydrophobicContact CB-CB 4.46Å; A178-L214 VanDerWaalsContact O-CA 3.3Å; A178-L214 WeakPolarHBondContact O-CA 3.34Å; A178-L214 PolarHBondContact O-N 2.91Å; P179-L214 WeakPolarHBondContact O-CD1 3.49Å; I180-L214 HydrophobicContact CB-CD2 4.26Å; I180-L214 HydrophobicContact CG1-CD2 3.84Å; I180-L214 HydrophobicContact CG1-CG 3.98Å; I180-L214 HydrophobicContact CG2-CD2 4.17Å; L214-R287 PolarHBondContact O-NH1 3.42Å; L214-R287 PolarHBondContact O-NH2 3.35Å |
| 215 | L | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -8.4 | -162.5 | -63.5 | 175.2 | 0 | 0 | 0 | 112.9 | A148 I151 K152 L176 A178 S213 L220 P249 | A148-L215 HydrophobicContact CB-CD1 4.24Å; A148-L215 WeakPolarHBondContact O-CD1 3.44Å; I151-L215 HydrophobicContact CG2-CD1 4.34Å; K152-L215 HydrophobicContact CB-CD1 4.25Å; K152-L215 HydrophobicContact CB-CD2 3.96Å; K152-L215 HydrophobicContact CG-CD2 4.12Å; L176-L215 HydrophobicContact CD1-CD1 3.66Å; L176-L215 HydrophobicContact CD2-CB 3.8Å; L176-L215 HydrophobicContact CD2-CD1 4.26Å; L176-L215 HydrophobicContact CG-CB 4.13Å; L176-L215 HydrophobicContact CG-CD1 3.89Å; A178-L215 HydrophobicContact CB-CB 4.14Å; A178-L215 HydrophobicContact CB-CD1 3.89Å; A178-L215 HydrophobicContact CB-CG 3.7Å; S213-L215 PolarHBondContact O-N 2.76Å; L215-L220 HydrophobicContact CD2-CB 4.44Å; L215-L220 HydrophobicContact CD2-CD1 4.2Å; L215-L220 PolarHBondContact O-N 3.5Å; L215-L220 VanDerWaalsContact O-N 3.08Å; L215-P249 WeakPolarHBondContact O-CA 3.27Å; L215-P249 WeakPolarHBondContact O-CB 3.46Å |
| 216 | K | 90.7 | Very high | 90 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.017 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 162.5 | -178.1 | -62.9 | 178.6 | 156.4 | 66.8 | 0 | 111.1 | L176 R210 S213 G219 R287 | L176-K216 PolarHBondContact O-NZ 3.07Å; R210-K216 HydrophobicContact CG-CB 4.24Å; S213-K216 PolarHBondContact O-N 3.13Å; K216-G219 PolarHBondContact O-N 3.11Å; K216-R287 PolarHBondContact O-NH1 3.41Å |
| 217 | G | 86.4 | Confident | 90.3 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 47.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G219 S247 G248 V251 W288 | G217-G219 VanDerWaalsContact C-N 3.32Å; G217-S247 PolarHBondContact N-O 2.92Å; G217-G248 CarbonylContact C-O 3.38Å; G217-G248 VanDerWaalsContact CA-O 3.31Å; G217-G248 WeakPolarHBondContact CA-O 3.44Å; G217-G248 PolarHBondContact N-O 3.49Å; G217-G248 VanDerWaalsContact N-O 3.1Å; G217-V251 CarbonylContact C-O 3.57Å; G217-V251 VanDerWaalsContact C-O 3.3Å; G217-W288 PolarHBondContact O-NE1 2.97Å |
| 218 | G | 88.5 | Confident | 90.5 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 2.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | L220 A221 H222 G248 P249 V251 | G218-L220 PolarHBondContact O-N 2.93Å; G218-A221 PolarHBondContact O-N 2.88Å; G218-H222 PolarHBondContact O-N 3.1Å; G218-G248 PolarHBondContact N-O 2.95Å; G218-P249 CarbonylContact C-O 3.48Å; G218-P249 WeakPolarHBondContact CA-O 3.39Å; G218-V251 VanDerWaalsContact CA-O 3.31Å; G218-V251 WeakPolarHBondContact CA-O 3.34Å; G218-V251 PolarHBondContact N-O 3.5Å |
| 219 | G | 89.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.5 | -27.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | K216 G217 H223 P249 | K216-G219 PolarHBondContact O-N 3.11Å; G217-G219 VanDerWaalsContact C-N 3.32Å; G219-H223 WeakPolarHBondContact O-CB 3.4Å; G219-H223 PolarHBondContact O-CD2 3.43Å; G219-H223 PolarHBondContact O-N 3.19Å; G219-P249 PolarHBondContact N-O 3.46Å |
| 220 | L | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.9 | -45.3 | 171.2 | -179.3 | 59.3 | 0 | 0 | 0 | 110.8 | V77 F79 I151 A155 V166 L215 G218 H222 H223 A224 P249 T250 | V77-L220 HydrophobicContact CG2-CD2 4.13Å; F79-L220 HydrophobicContact CE1-CD2 3.85Å; F79-L220 HydrophobicContact CZ-CD2 4.46Å; I151-L220 HydrophobicContact CG2-CD1 3.7Å; A155-L220 HydrophobicContact CB-CD1 3.92Å; V166-L220 HydrophobicContact CG1-CD2 3.71Å; V166-L220 HydrophobicContact CG2-CD2 4.17Å; L215-L220 HydrophobicContact CD2-CB 4.44Å; L215-L220 HydrophobicContact CD2-CD1 4.2Å; L215-L220 PolarHBondContact O-N 3.5Å; L215-L220 VanDerWaalsContact O-N 3.08Å; G218-L220 PolarHBondContact O-N 2.93Å; L220-H222 VanDerWaalsContact C-N 3.32Å; L220-H222 PolarHBondContact O-N 2.77Å; L220-H223 PolarHBondContact O-N 2.98Å; L220-A224 PolarHBondContact O-N 2.91Å; L220-P249 HydrophobicContact CB-CB 3.98Å; L220-P249 WeakPolarHBondContact CB-O 3.41Å; L220-P249 HydrophobicContact CD2-CB 4.47Å; L220-P249 PolarHBondContact N-O 3.2Å; L220-T250 HydrophobicContact CD2-CG2 4.27Å |
| 221 | A | 92.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 8% | 0.083 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G218 A224 H225 P249 A301 | G218-A221 PolarHBondContact O-N 2.88Å; A221-A224 PolarHBondContact O-N 2.81Å; A221-H225 PolarHBondContact O-N 2.71Å; A221-H225 VanDerWaalsContact O-N 3.16Å; A221-P249 PolarHBondContact N-O 3.03Å; A221-A301 HydrophobicContact CB-CB 4.31Å |
| 222 | H | 90.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 20.8 Ų | 20.8 | 23% | 0.231 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 175 | 179.6 | 83.4 | 0 | 0 | 0 | 112.4 | G218 L220 A224 H225 W288 | G218-H222 PolarHBondContact O-N 3.1Å; L220-H222 VanDerWaalsContact C-N 3.32Å; L220-H222 PolarHBondContact O-N 2.77Å; H222-A224 PolarHBondContact O-N 2.93Å; H222-H225 WeakPolarHBondContact O-CB 3.04Å; H222-H225 PolarHBondContact O-N 2.68Å; H222-H225 VanDerWaalsContact O-N 3.17Å; H222-W288 HydrophobicContact CB-CD2 4.23Å; H222-W288 HydrophobicContact CB-CE3 3.68Å; H222-W288 HydrophobicContact CB-CH2 3.86Å; H222-W288 HydrophobicContact CB-CZ2 4.3Å; H222-W288 HydrophobicContact CB-CZ3 3.49Å; H222-W288 VanDerWaalsContact CB-CZ3 3.49Å; H222-W288 AromaticContact CD2-CE3 3.25Å; H222-W288 AromaticContact CD2-CZ3 3.08Å; H222-W288 WeakPolarHBondContact CD2-CZ3 3.35Å; H222-W288 AromaticContact CE1-CE3 3.72Å; H222-W288 AromaticContact CG-CE3 3.17Å; H222-W288 AromaticContact CG-CZ3 3.26Å; H222-W288 AromaticContact ND1-CE3 3.5Å; H222-W288 AromaticContact NE2-CE3 3.56Å; H222-W288 AromaticContact NE2-CZ3 3.79Å |
| 223 | H | 91.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 20.9 Ų | 20.9 | 19% | 0.19 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.9 | -24.9 | 176.2 | -86.2 | -62.2 | 0 | 0 | 0 | 113.4 | A155 T156 G219 L220 | A155-H223 CarbonylContact C-O 3.31Å; A155-H223 VanDerWaalsContact C-O 3.23Å; A155-H223 HydrophobicContact CB-CB 4.13Å; T156-H223 VanDerWaalsContact CA-O 3.31Å; T156-H223 WeakPolarHBondContact CA-O 3.3Å; T156-H223 PolarHBondContact N-O 3.3Å; T156-H223 PolarHBondContact OG1-ND1 3.44Å; G219-H223 WeakPolarHBondContact O-CB 3.4Å; G219-H223 PolarHBondContact O-CD2 3.43Å; G219-H223 PolarHBondContact O-N 3.19Å; L220-H223 PolarHBondContact O-N 2.98Å |
| 224 | A | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -82.6 | -16.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A155 L158 L164 L220 A221 H222 A227 V229 | A155-A224 HydrophobicContact CB-CB 4.27Å; A155-A224 WeakPolarHBondContact O-CA 3.46Å; L158-A224 HydrophobicContact CD1-CB 4.41Å; L164-A224 HydrophobicContact CD2-CB 3.46Å; L164-A224 VanDerWaalsContact CD2-CB 3.46Å; L220-A224 PolarHBondContact O-N 2.91Å; A221-A224 PolarHBondContact O-N 2.81Å; H222-A224 PolarHBondContact O-N 2.93Å; A224-A227 WeakPolarHBondContact O-CA 3.31Å; A224-A227 WeakPolarHBondContact O-CB 3.39Å; A224-A227 PolarHBondContact O-N 3.03Å; A224-V229 HydrophobicContact CB-CG2 3.61Å |
| 225 | H | 89.8 | Confident | 92.9 | Very high | 89 Ų | 89 | 19.5 Ų | 19.5 | 41% | 0.412 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 132 | -179.8 | -175.9 | -88.7 | 0 | 0 | 0 | 110.5 | A221 H222 | A221-H225 PolarHBondContact O-N 2.71Å; A221-H225 VanDerWaalsContact O-N 3.16Å; H222-H225 WeakPolarHBondContact O-CB 3.04Å; H222-H225 PolarHBondContact O-N 2.68Å; H222-H225 VanDerWaalsContact O-N 3.17Å |
| 226 | P | 91.8 | Very high | 93 | Very high | 63 Ų | 63 | 21.2 Ų | 21.2 | 41% | 0.409 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -95.6 | 12.4 | 16.2 | 36.4 | -35.4 | 0 | 0 | 0 | 116.4 | E160 | E160-P226 HydrophobicContact CB-CB 4.27Å; E160-P226 HydrophobicContact CB-CG 4.07Å |
| 227 | A | 93.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 8% | 0.083 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -64.7 | 153.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L158 T159 D162 A224 | L158-A227 HydrophobicContact CB-CB 3.69Å; L158-A227 HydrophobicContact CD1-CB 4.11Å; T159-A227 VanDerWaalsContact O-CA 3.28Å; T159-A227 WeakPolarHBondContact O-CA 3.34Å; T159-A227 VanDerWaalsContact O-CB 3.23Å; T159-A227 WeakPolarHBondContact O-CB 3.44Å; D162-A227 HydrophobicContact CB-CB 4.29Å; A224-A227 WeakPolarHBondContact O-CA 3.31Å; A224-A227 WeakPolarHBondContact O-CB 3.39Å; A224-A227 PolarHBondContact O-N 3.03Å |
| 228 | Q | 93.4 | Very high | 93.2 | Very high | 114 Ų | 114 | 25.5 Ų | 25.5 | 53% | 0.533 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132.5 | 173 | -66.8 | -175.3 | 6.8 | 0 | 0 | 109.9 | D162 L163 L164 | D162-Q228 PolarHBondContact O-N 2.97Å; D162-Q228 VanDerWaalsContact O-N 3.15Å; L163-Q228 HydrophobicContact CD1-CB 3.97Å; L164-Q228 PolarHBondContact N-O 2.79Å |
| 229 | V | 95.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 28.6 Ų | 28.6 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.9 | -177.8 | -176 | 0 | 0 | 0 | 0 | 110.2 | L164 V166 A224 T250 A301 L302 | L164-V229 HydrophobicContact CB-CG2 4.39Å; L164-V229 HydrophobicContact CD2-CG2 4.46Å; L164-V229 WeakPolarHBondContact O-CA 3.35Å; V166-V229 HydrophobicContact CG2-CG1 3.81Å; A224-V229 HydrophobicContact CB-CG2 3.61Å; V229-T250 HydrophobicContact CG1-CG2 4.21Å; V229-A301 HydrophobicContact CB-CB 3.86Å; V229-A301 HydrophobicContact CG1-CB 3.93Å; V229-A301 WeakPolarHBondContact O-CA 3.23Å; V229-L302 PolarHBondContact O-N 3.18Å |
| 230 | V | 96.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.7 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | I63 L68 L163 L164 L165 V166 L302 | I63-V230 HydrophobicContact CD1-CG1 4.07Å; I63-V230 HydrophobicContact CG2-CG1 4.05Å; L68-V230 HydrophobicContact CD1-CG2 3.73Å; L68-V230 HydrophobicContact CD2-CG2 4.27Å; L163-V230 HydrophobicContact CD1-CG2 3.83Å; L164-V230 PolarHBondContact O-N 2.98Å; L165-V230 CarbonylContact C-O 3.29Å; L165-V230 WeakPolarHBondContact CA-O 3.24Å; L165-V230 HydrophobicContact CD1-CB 4.06Å; L165-V230 HydrophobicContact CD1-CG1 3.92Å; V166-V230 PolarHBondContact N-O 3.22Å; V230-L302 CarbonylContact C-O 3.52Å; V230-L302 WeakPolarHBondContact CA-O 3.39Å; V230-L302 HydrophobicContact CG1-CB 4.47Å; V230-L302 HydrophobicContact CG1-CD2 4.02Å; V230-L302 HydrophobicContact CG1-CG 4.4Å; V230-L302 HydrophobicContact CG2-CB 4.21Å; V230-L302 HydrophobicContact CG2-CD2 4.25Å |
| 231 | S | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.9 | -178.5 | -47.8 | 0 | 0 | 0 | 0 | 110.6 | V166 T250 L302 N303 A304 | V166-S231 CarbonylContact O-C 3.28Å; V166-S231 VanDerWaalsContact O-CA 3.24Å; V166-S231 WeakPolarHBondContact O-CA 3.46Å; S231-T250 WeakPolarHBondContact OG-CB 3.32Å; S231-T250 WeakPolarHBondContact OG-CG2 3.38Å; S231-T250 PolarHBondContact OG-OG1 3.29Å; S231-L302 PolarHBondContact N-O 3.33Å; S231-N303 WeakPolarHBondContact CB-OD1 3.17Å; S231-N303 PolarHBondContact OG-OD1 3.34Å; S231-A304 PolarHBondContact O-N 3.46Å |
| 232 | L | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120 | 170.2 | -55.1 | -175.6 | 0 | 0 | 0 | 108.5 | I54 I63 M86 L165 V166 L167 I168 A304 I306 | I54-L232 HydrophobicContact CD1-CD1 3.9Å; I54-L232 HydrophobicContact CG1-CD1 4.26Å; I63-L232 HydrophobicContact CG2-CD2 3.57Å; M86-L232 HydrophobicContact CE-CB 4.29Å; L165-L232 HydrophobicContact CD1-CD1 4.09Å; L165-L232 HydrophobicContact CD1-CD2 4.48Å; L165-L232 HydrophobicContact CD1-CG 3.89Å; L165-L232 HydrophobicContact CD2-CD1 4.41Å; V166-L232 PolarHBondContact O-N 3.05Å; L167-L232 HydrophobicContact CD2-CB 3.94Å; L167-L232 HydrophobicContact CD2-CD1 3.92Å; L167-L232 HydrophobicContact CD2-CG 4.19Å; I168-L232 PolarHBondContact N-O 3.21Å; L232-A304 HydrophobicContact CD2-CB 4.29Å; L232-I306 HydrophobicContact CB-CD1 3.87Å; L232-I306 HydrophobicContact CB-CG1 4.29Å; L232-I306 HydrophobicContact CB-CG2 4.39Å; L232-I306 HydrophobicContact CD1-CD1 4.42Å; L232-I306 HydrophobicContact CD2-CG2 3.95Å |
| 233 | I | 97.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.4 | -167.2 | -54.2 | 173.9 | 0 | 0 | 0 | 110 | I168 L242 I245 N303 A304 V305 I306 G307 | I168-I233 HydrophobicContact CB-CG1 4.16Å; I168-I233 HydrophobicContact CB-CG2 4.42Å; I168-I233 HydrophobicContact CD1-CD1 4.49Å; I168-I233 HydrophobicContact CD1-CG1 4.21Å; I168-I233 HydrophobicContact CG1-CG1 4.43Å; I168-I233 HydrophobicContact CG2-CG2 4.49Å; I168-I233 WeakPolarHBondContact O-CA 3.38Å; I233-L242 HydrophobicContact CD1-CD2 3.64Å; I233-I245 HydrophobicContact CG2-CD1 3.9Å; I233-I245 HydrophobicContact CG2-CG2 3.72Å; I233-N303 HydrophobicContact CD1-CB 4.19Å; I233-A304 PolarHBondContact N-O 3.34Å; I233-V305 HydrophobicContact CB-CG2 4.43Å; I233-V305 CarbonylContact O-C 3.54Å; I233-I306 PolarHBondContact O-N 3.31Å; I233-G307 PolarHBondContact O-N 3.32Å |
| 234 | L | 96.8 | Very high | 92 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 107.1 | 164.3 | -166.1 | 101.4 | 0 | 0 | 0 | 108.4 | V49 A82 M86 I168 S169 G307 V508 | V49-L234 HydrophobicContact CG1-CD1 4.38Å; V49-L234 HydrophobicContact CG2-CD1 3.87Å; A82-L234 HydrophobicContact CB-CD2 3.92Å; M86-L234 HydrophobicContact SD-CB 4.45Å; I168-L234 PolarHBondContact O-N 3.16Å; S169-L234 WeakPolarHBondContact CA-O 3.33Å; L234-G307 WeakPolarHBondContact CA-O 3.05Å; L234-V508 HydrophobicContact CG-CG1 4.28Å |
| 235 | S | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -87.3 | 125.8 | -171.6 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | V237 D240 I245 G307 | S235-V237 PolarHBondContact OG-N 3.26Å; S235-V237 PolarHBondContact OG-O 3.07Å; S235-D240 WeakPolarHBondContact CB-OD1 3.31Å; S235-D240 PolarHBondContact OG-OD1 2.87Å; S235-I245 WeakPolarHBondContact OG-CD1 3.27Å; S235-G307 PolarHBondContact N-O 3.13Å | ||
| 236 | D | 93.4 | Very high | 91.3 | Very high | 36 Ų | 36 | 31.7 Ų | 31.7 | 19% | 0.193 | 19% | 0.191 | C | C | . | . | trans | -107.2 | 23 | 169.1 | 68 | -23.1 | 0 | 0 | 0 | 112.4 | G170 | G170-D236 VanDerWaalsContact CA-CG 3.46Å; G170-D236 WeakPolarHBondContact CA-OD2 3.34Å | ||
| 237 | V | 91.4 | Very high | 90.9 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 24% | 0.236 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -124.2 | 132.7 | -175.6 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | S235 G239 D240 P241 I245 | S235-V237 PolarHBondContact OG-N 3.26Å; S235-V237 PolarHBondContact OG-O 3.07Å; V237-G239 PolarHBondContact O-N 3.42Å; V237-D240 PolarHBondContact O-N 2.87Å; V237-D240 VanDerWaalsContact O-N 3.1Å; V237-P241 HydrophobicContact CG1-CG 4Å; V237-I245 HydrophobicContact CB-CG1 4.26Å; V237-I245 HydrophobicContact CG2-CG1 4.11Å |
| 238 | I | 89.3 | Confident | 90.6 | Very high | 60 Ų | 60 | 28.3 Ų | 28.3 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 129.5 | 176.5 | -62.7 | 178.1 | 0 | 0 | 0 | 111 | D240 P241 C335 E405 M509 | I238-D240 VanDerWaalsContact C-N 3.26Å; I238-D240 PolarHBondContact O-N 3.48Å; I238-P241 VanDerWaalsContact O-CD 3.27Å; I238-P241 WeakPolarHBondContact O-CD 3.45Å; I238-C335 HydrophobicContact CD1-CB 3.73Å; I238-E405 HydrophobicContact CD1-CB 4.11Å; I238-E405 HydrophobicContact CG1-CB 4.46Å; I238-M509 HydrophobicContact CB-SD 4.26Å; I238-M509 HydrophobicContact CD1-SD 4.44Å; I238-M509 HydrophobicContact CG1-CE 4.11Å; I238-M509 HydrophobicContact CG1-SD 3.34Å; I238-M509 WeakPolarHBondContact CG1-SD 3.02Å; I238-M509 PolarHBondContact N-SD 2.99Å |
| 239 | G | 88.3 | Confident | 90.5 | Very high | 67 Ų | 67 | 22.9 Ų | 22.9 | 69% | 0.691 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 2.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V237 | V237-G239 PolarHBondContact O-N 3.42Š|
| 240 | D | 90.2 | Very high | 90.3 | Very high | 33 Ų | 33 | 22.5 Ų | 22.5 | 18% | 0.176 | 14% | 0.141 | C | C | . | . | trans | 51.6 | 38.9 | 177.7 | -52.1 | -39.5 | 0 | 0 | 0 | 116.2 | S235 V237 I238 L242 V305 S308 | S235-D240 WeakPolarHBondContact CB-OD1 3.31Å; S235-D240 PolarHBondContact OG-OD1 2.87Å; V237-D240 PolarHBondContact O-N 2.87Å; V237-D240 VanDerWaalsContact O-N 3.1Å; I238-D240 VanDerWaalsContact C-N 3.26Å; I238-D240 PolarHBondContact O-N 3.48Å; D240-L242 PolarHBondContact O-N 3.38Å; D240-L242 VanDerWaalsContact O-N 3.13Å; D240-V305 HydrophobicContact CB-CG1 4.4Å; D240-S308 VanDerWaalsContact CG-CB 3.44Å; D240-S308 VanDerWaalsContact OD1-CB 3.27Å; D240-S308 WeakPolarHBondContact OD1-CB 3.44Å; D240-S308 WeakPolarHBondContact OD2-CB 3.49Å; D240-S308 PolarHBondContact OD2-OG 3.02Å | ||
| 241 | P | 88.9 | Confident | 89.9 | Confident | 37 Ų | 37 | 23.7 Ų | 23.7 | 24% | 0.24 | 15% | 0.148 | C | C | . | . | trans | -69.1 | 112.8 | -178.8 | 27.6 | -33.4 | 0 | 0 | 0 | 111.8 | V237 I238 D243 L244 I245 | V237-P241 HydrophobicContact CG1-CG 4Å; I238-P241 VanDerWaalsContact O-CD 3.27Å; I238-P241 WeakPolarHBondContact O-CD 3.45Å; P241-D243 PolarHBondContact O-N 3.46Å; P241-D243 VanDerWaalsContact O-N 3.13Å; P241-L244 HydrophobicContact CB-CB 4.41Å; P241-L244 HydrophobicContact CB-CD1 4.22Å; P241-L244 HydrophobicContact CB-CG 4.14Å; P241-L244 HydrophobicContact CG-CB 3.95Å; P241-L244 HydrophobicContact CG-CD1 3.61Å; P241-L244 HydrophobicContact CG-CG 3.9Å; P241-L244 PolarHBondContact O-N 3.22Å; P241-I245 WeakPolarHBondContact O-CG1 3.25Å; P241-I245 PolarHBondContact O-N 3.19Å; P241-I245 VanDerWaalsContact O-N 3.12Å | ||
| 242 | L | 88.3 | Confident | 89.2 | Confident | 58 Ų | 58 | 28.1 Ų | 28.1 | 30% | 0.304 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32 | -175 | -62.1 | 178.9 | 0 | 0 | 0 | 114 | I233 D240 G248 V251 N303 V305 | I233-L242 HydrophobicContact CD1-CD2 3.64Å; D240-L242 PolarHBondContact O-N 3.38Å; D240-L242 VanDerWaalsContact O-N 3.13Å; L242-G248 WeakPolarHBondContact O-CA 3.35Å; L242-V251 HydrophobicContact CB-CG2 3.66Å; L242-N303 HydrophobicContact CD1-CB 3.92Å; L242-N303 HydrophobicContact CD2-CB 4.31Å; L242-V305 HydrophobicContact CD2-CG2 3.62Å |
| 243 | D | 82.4 | Confident | 88.1 | Confident | 57 Ų | 57 | 29.7 Ų | 29.7 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -23.4 | -179.3 | 78.2 | -61.3 | 0 | 0 | 0 | 113.2 | R210 P241 S247 G248 V251 | R210-D243 IonicContact CZ-OD2 3.71Å; R210-D243 PolarHBondContact NH1-O 3.35Å; R210-D243 IonicContact NH1-OD2 2.63Å; R210-D243 PolarHBondContact NH1-OD2 3.3Å; P241-D243 PolarHBondContact O-N 3.46Å; P241-D243 VanDerWaalsContact O-N 3.13Å; D243-S247 CarbonylContact O-C 2.97Å; D243-S247 VanDerWaalsContact O-C 3.29Å; D243-G248 PolarHBondContact O-N 3.39Å; D243-V251 HydrophobicContact CB-CG1 4.3Å |
| 244 | L | 82.8 | Confident | 86.9 | Confident | 54 Ų | 54 | 35.9 Ų | 35.9 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -35.8 | 178 | -57.5 | -173.5 | 0 | 0 | 0 | 111.8 | P241 A246 S247 | P241-L244 HydrophobicContact CB-CB 4.41Å; P241-L244 HydrophobicContact CB-CD1 4.22Å; P241-L244 HydrophobicContact CB-CG 4.14Å; P241-L244 HydrophobicContact CG-CB 3.95Å; P241-L244 HydrophobicContact CG-CD1 3.61Å; P241-L244 HydrophobicContact CG-CG 3.9Å; P241-L244 PolarHBondContact O-N 3.22Å; L244-A246 PolarHBondContact O-N 3.19Å; L244-A246 VanDerWaalsContact O-N 3.11Å; L244-S247 PolarHBondContact O-N 3.47Å |
| 245 | I | 85.9 | Confident | 85.8 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -59.3 | 118.1 | 178.9 | -61.5 | 165.4 | 0 | 0 | 0 | 109 | I168 I233 S235 V237 P241 S247 G248 | I168-I245 HydrophobicContact CG2-CG2 3.95Å; I233-I245 HydrophobicContact CG2-CD1 3.9Å; I233-I245 HydrophobicContact CG2-CG2 3.72Å; S235-I245 WeakPolarHBondContact OG-CD1 3.27Å; V237-I245 HydrophobicContact CB-CG1 4.26Å; V237-I245 HydrophobicContact CG2-CG1 4.11Å; P241-I245 WeakPolarHBondContact O-CG1 3.25Å; P241-I245 PolarHBondContact O-N 3.19Å; P241-I245 VanDerWaalsContact O-N 3.12Å; I245-S247 PolarHBondContact O-N 3.48Å; I245-G248 PolarHBondContact O-N 2.97Å |
| 246 | A | 81.1 | Confident | 84.9 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | 50.2 | 22.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F79 I168 L244 G248 P249 | F79-A246 HydrophobicContact CD2-CB 4.34Å; F79-A246 HydrophobicContact CE2-CB 3.68Å; I168-A246 HydrophobicContact CG2-CB 3.8Å; L244-A246 PolarHBondContact O-N 3.19Å; L244-A246 VanDerWaalsContact O-N 3.11Å; A246-G248 VanDerWaalsContact C-N 3.32Å; A246-P249 HydrophobicContact CB-CG 4.48Å |
| 247 | S | 84.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | 62.1 | 32.5 | -171.4 | -46.6 | 0 | 0 | 0 | 0 | 114.6 | G217 D243 L244 I245 | G217-S247 PolarHBondContact N-O 2.92Å; D243-S247 CarbonylContact O-C 2.97Å; D243-S247 VanDerWaalsContact O-C 3.29Å; L244-S247 PolarHBondContact O-N 3.47Å; I245-S247 PolarHBondContact O-N 3.48Å |
| 248 | G | 87.5 | Confident | 84 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | 55.7 | 57.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G217 G218 L242 D243 I245 A246 T250 V251 | G217-G248 CarbonylContact C-O 3.38Å; G217-G248 VanDerWaalsContact CA-O 3.31Å; G217-G248 WeakPolarHBondContact CA-O 3.44Å; G217-G248 PolarHBondContact N-O 3.49Å; G217-G248 VanDerWaalsContact N-O 3.1Å; G218-G248 PolarHBondContact N-O 2.95Å; L242-G248 WeakPolarHBondContact O-CA 3.35Å; D243-G248 PolarHBondContact O-N 3.39Å; I245-G248 PolarHBondContact O-N 2.97Å; A246-G248 VanDerWaalsContact C-N 3.32Å; G248-T250 PolarHBondContact O-N 3.49Å; G248-V251 PolarHBondContact O-N 3.03Å | ||
| 249 | P | 90.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22 | -177.9 | 25.5 | -31.7 | 0 | 0 | 0 | 113.9 | F79 I168 L176 L215 G218 G219 L220 A221 A246 | F79-P249 HydrophobicContact CE1-CG 4.41Å; F79-P249 HydrophobicContact CE2-CG 3.87Å; F79-P249 HydrophobicContact CZ-CB 4.21Å; F79-P249 HydrophobicContact CZ-CG 3.39Å; I168-P249 HydrophobicContact CD1-CG 4.02Å; L176-P249 HydrophobicContact CD2-CB 4.08Å; L176-P249 HydrophobicContact CD2-CG 4.46Å; L215-P249 WeakPolarHBondContact O-CA 3.27Å; L215-P249 WeakPolarHBondContact O-CB 3.46Å; G218-P249 CarbonylContact C-O 3.48Å; G218-P249 WeakPolarHBondContact CA-O 3.39Å; G219-P249 PolarHBondContact N-O 3.46Å; L220-P249 HydrophobicContact CB-CB 3.98Å; L220-P249 WeakPolarHBondContact CB-O 3.41Å; L220-P249 HydrophobicContact CD2-CB 4.47Å; L220-P249 PolarHBondContact N-O 3.2Å; A221-P249 PolarHBondContact N-O 3.03Å; A246-P249 HydrophobicContact CB-CG 4.48Å |
| 250 | T | 91.4 | Very high | 83.8 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 6.6 | -179.5 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | V166 L220 V229 S231 G248 N303 | V166-T250 HydrophobicContact CB-CG2 4.27Å; V166-T250 HydrophobicContact CG1-CG2 4.02Å; V166-T250 HydrophobicContact CG2-CG2 4.03Å; L220-T250 HydrophobicContact CD2-CG2 4.27Å; V229-T250 HydrophobicContact CG1-CG2 4.21Å; S231-T250 WeakPolarHBondContact OG-CB 3.32Å; S231-T250 WeakPolarHBondContact OG-CG2 3.38Å; S231-T250 PolarHBondContact OG-OG1 3.29Å; G248-T250 PolarHBondContact O-N 3.49Å; T250-N303 WeakPolarHBondContact CB-OD1 3.27Å; T250-N303 PolarHBondContact O-ND2 3.29Å; T250-N303 PolarHBondContact OG1-OD1 2.85Å |
| 251 | V | 87.9 | Confident | 83.8 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -118.5 | 119.9 | -179.5 | 177 | 0 | 0 | 0 | 0 | 107.6 | G217 G218 L242 D243 G248 C253 | G217-V251 CarbonylContact C-O 3.57Å; G217-V251 VanDerWaalsContact C-O 3.3Å; G218-V251 VanDerWaalsContact CA-O 3.31Å; G218-V251 WeakPolarHBondContact CA-O 3.34Å; G218-V251 PolarHBondContact N-O 3.5Å; L242-V251 HydrophobicContact CB-CG2 3.66Å; D243-V251 HydrophobicContact CB-CG1 4.3Å; G248-V251 PolarHBondContact O-N 3.03Å; V251-C253 PolarHBondContact O-N 2.99Å |
| 252 | T | 81.8 | Confident | 83.8 | Confident | 92 Ų | 92 | 43.5 Ų | 43.5 | 56% | 0.564 | 23% | 0.229 | S | C | * | . | trans | -63.8 | 125.8 | 179.6 | 44.5 | 0 | 0 | 0 | 0 | 109.9 | P298 | T252-P298 HydrophobicContact CG2-CG 4.37Š| ||
| 253 | C | 75.6 | Confident | 84 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | trans | -135.3 | 119.4 | 177.1 | -177.9 | 0 | 0 | 0 | 0 | 108 | V251 V255 | V251-C253 PolarHBondContact O-N 2.99Å; C253-V255 PolarHBondContact O-N 3.17Å | ||
| 254 | E | 72.9 | Confident | 84.3 | Confident | 133 Ų | 133 | 38.4 Ų | 38.4 | 62% | 0.621 | 20% | 0.202 | S | C | * | . | trans | -76 | 107.7 | 173.4 | -63.7 | -166.2 | 159.7 | 0 | 0 | 108.9 | ||||
| 255 | V | 72.3 | Confident | 84.8 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | trans | -107.4 | 113.5 | 170.5 | -175 | 0 | 0 | 0 | 0 | 108 | R210 A211 C253 V260 | R210-V255 HydrophobicContact CB-CG2 4.04Å; A211-V255 HydrophobicContact CB-CG1 3.92Å; C253-V255 PolarHBondContact O-N 3.17Å; V255-V260 HydrophobicContact CG1-CG2 3.85Å | ||
| 256 | W | 77.2 | Confident | 85.1 | Confident | 98 Ų | 98 | 48.7 Ų | 48.7 | 37% | 0.371 | 24% | 0.242 | S | C | . | . | trans | -85.1 | 129.6 | 179.5 | -71.8 | 90 | 0 | 0 | 0 | 110.2 | E258 E259 V260 P286 | W256-E258 WeakPolarHBondContact CB-OE2 3.48Å; W256-E258 PolarHBondContact O-N 3.18Å; W256-E259 HydrophobicContact CB-CG 4.23Å; W256-E259 PolarHBondContact O-N 3.41Å; W256-E259 VanDerWaalsContact O-N 3.13Å; W256-V260 PolarHBondContact O-N 2.79Å; W256-P286 HydrophobicContact CH2-CG 4.4Å; W256-P286 HydrophobicContact CZ2-CG 4.49Å | ||
| 257 | P | 82 | Confident | 85.6 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.104 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.8 | -32.5 | 179.2 | -25.3 | 33.8 | 0 | 0 | 0 | 113.5 | E259 V260 L261 L281 | P257-E259 VanDerWaalsContact C-N 3.33Å; P257-E259 PolarHBondContact O-N 3.44Å; P257-V260 WeakPolarHBondContact O-CB 3.39Å; P257-V260 PolarHBondContact O-N 3.31Å; P257-V260 VanDerWaalsContact O-N 3.17Å; P257-L261 WeakPolarHBondContact O-CG 3.41Å; P257-L261 PolarHBondContact O-N 3.48Å; P257-L281 VanDerWaalsContact CB-O 3.28Å; P257-L281 WeakPolarHBondContact CB-O 3.43Å |
| 258 | E | 83.9 | Confident | 86 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 179.1 | -58.2 | 80.4 | -175.8 | 0 | 0 | 112.1 | W256 V260 L261 S262 | W256-E258 WeakPolarHBondContact CB-OE2 3.48Å; W256-E258 PolarHBondContact O-N 3.18Å; E258-V260 VanDerWaalsContact C-N 3.33Å; E258-L261 PolarHBondContact O-N 3.15Å; E258-S262 WeakPolarHBondContact O-CB 3.4Å; E258-S262 PolarHBondContact O-N 3.15Å |
| 259 | E | 86 | Confident | 86.1 | Confident | 82 Ų | 82 | 59.3 Ų | 59.3 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.5 | -67.8 | -167.3 | 166.3 | 0 | 0 | 111.3 | K207 W256 P257 S262 I263 | K207-E259 IonicContact NZ-OE1 3.24Å; K207-E259 IonicContact NZ-OE2 2.8Å; K207-E259 PolarHBondContact NZ-OE2 3.46Å; W256-E259 HydrophobicContact CB-CG 4.23Å; W256-E259 PolarHBondContact O-N 3.41Å; W256-E259 VanDerWaalsContact O-N 3.13Å; P257-E259 VanDerWaalsContact C-N 3.33Å; P257-E259 PolarHBondContact O-N 3.44Å; E259-S262 PolarHBondContact O-N 3.23Å; E259-I263 VanDerWaalsContact O-CG1 3.31Å; E259-I263 WeakPolarHBondContact O-CG1 3.25Å; E259-I263 PolarHBondContact O-N 2.99Å |
| 260 | V | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 179.8 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | V208 A211 V255 W256 P257 E258 S262 I263 L264 L281 | V208-V260 HydrophobicContact CB-CG1 4.5Å; V208-V260 HydrophobicContact CG1-CG1 4.25Å; V208-V260 HydrophobicContact CG2-CG1 4.08Å; A211-V260 HydrophobicContact CB-CG1 4.42Å; A211-V260 HydrophobicContact CB-CG2 3.55Å; V255-V260 HydrophobicContact CG1-CG2 3.85Å; W256-V260 PolarHBondContact O-N 2.79Å; P257-V260 WeakPolarHBondContact O-CB 3.39Å; P257-V260 PolarHBondContact O-N 3.31Å; P257-V260 VanDerWaalsContact O-N 3.17Å; E258-V260 VanDerWaalsContact C-N 3.33Å; V260-S262 VanDerWaalsContact C-N 3.34Å; V260-S262 PolarHBondContact O-N 3.18Å; V260-I263 PolarHBondContact O-N 3.49Å; V260-L264 HydrophobicContact CG1-CD1 4.3Å; V260-L264 WeakPolarHBondContact O-CG 3.48Å; V260-L264 PolarHBondContact O-N 3.05Å; V260-L281 HydrophobicContact CB-CD2 4.07Å; V260-L281 HydrophobicContact CG1-CD1 3.86Å; V260-L281 HydrophobicContact CG1-CD2 3.63Å; V260-L281 HydrophobicContact CG1-CG 4.42Å |
| 261 | L | 88.7 | Confident | 85.5 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 174.5 | -69.1 | 170.1 | 0 | 0 | 0 | 111.1 | P257 E258 I263 L264 E265 L270 L281 | P257-L261 WeakPolarHBondContact O-CG 3.41Å; P257-L261 PolarHBondContact O-N 3.48Å; E258-L261 PolarHBondContact O-N 3.15Å; L261-I263 VanDerWaalsContact C-N 3.34Å; L261-I263 PolarHBondContact O-N 2.89Å; L261-L264 PolarHBondContact O-N 3.13Å; L261-E265 WeakPolarHBondContact O-CG 3.49Å; L261-E265 PolarHBondContact O-N 3.39Å; L261-L270 HydrophobicContact CD2-CD1 3.6Å; L261-L281 HydrophobicContact CD2-CB 4.13Å; L261-L281 HydrophobicContact CD2-CD1 4.11Å; L261-L281 HydrophobicContact CG-CB 4.49Å |
| 262 | S | 90.3 | Very high | 85.5 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 176 | -175.1 | 0 | 0 | 0 | 0 | 112.9 | E258 E259 V260 E265 R266 | E258-S262 WeakPolarHBondContact O-CB 3.4Å; E258-S262 PolarHBondContact O-N 3.15Å; E259-S262 PolarHBondContact O-N 3.23Å; V260-S262 VanDerWaalsContact C-N 3.34Å; V260-S262 PolarHBondContact O-N 3.18Å; S262-E265 PolarHBondContact O-N 3.31Å; S262-R266 WeakPolarHBondContact O-CB 3.18Å; S262-R266 PolarHBondContact O-N 2.87Å |
| 263 | I | 91 | Very high | 85.8 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 174.3 | -67.5 | 165.5 | 0 | 0 | 0 | 110.2 | L195 E204 K207 V208 E259 V260 L261 E265 R266 H267 | L195-I263 HydrophobicContact CD2-CG2 4.22Å; E204-I263 HydrophobicContact CB-CD1 4.29Å; E204-I263 HydrophobicContact CB-CG2 3.94Å; E204-I263 HydrophobicContact CG-CD1 4.13Å; E204-I263 HydrophobicContact CG-CG1 4.15Å; E204-I263 HydrophobicContact CG-CG2 4.14Å; K207-I263 HydrophobicContact CB-CD1 4.09Å; K207-I263 HydrophobicContact CD-CD1 3.95Å; V208-I263 HydrophobicContact CG2-CG2 4.11Å; E259-I263 VanDerWaalsContact O-CG1 3.31Å; E259-I263 WeakPolarHBondContact O-CG1 3.25Å; E259-I263 PolarHBondContact O-N 2.99Å; V260-I263 PolarHBondContact O-N 3.49Å; L261-I263 VanDerWaalsContact C-N 3.34Å; L261-I263 PolarHBondContact O-N 2.89Å; I263-E265 VanDerWaalsContact C-N 3.3Å; I263-E265 PolarHBondContact O-N 3.07Å; I263-R266 PolarHBondContact O-N 3.36Å; I263-H267 PolarHBondContact O-CD2 3.5Å; I263-H267 VanDerWaalsContact O-CD2 3.25Å; I263-H267 PolarHBondContact O-N 3.47Å |
| 264 | L | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 179 | -68 | 172.5 | 0 | 0 | 0 | 112.4 | L195 V260 L261 K268 L269 L270 M273 L281 | L195-L264 HydrophobicContact CD1-CD2 4.21Å; L195-L264 HydrophobicContact CD2-CD2 4.19Å; L195-L264 HydrophobicContact CG-CD2 4.38Å; V260-L264 HydrophobicContact CG1-CD1 4.3Å; V260-L264 WeakPolarHBondContact O-CG 3.48Å; V260-L264 PolarHBondContact O-N 3.05Å; L261-L264 PolarHBondContact O-N 3.13Å; L264-K268 PolarHBondContact O-N 2.92Å; L264-L269 HydrophobicContact CD2-CB 4.38Å; L264-L269 PolarHBondContact O-N 2.92Å; L264-L270 HydrophobicContact CB-CB 4.39Å; L264-L270 HydrophobicContact CB-CD1 4.25Å; L264-L270 HydrophobicContact CD1-CD1 4.39Å; L264-L270 PolarHBondContact O-N 2.8Å; L264-M273 HydrophobicContact CD1-CG 4.23Å; L264-M273 HydrophobicContact CD2-CG 4.32Å; L264-M273 HydrophobicContact CD2-SD 3.91Å; L264-L281 HydrophobicContact CD1-CD1 3.65Å |
| 265 | E | 92.1 | Very high | 87.2 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | 174.7 | -75.5 | -179.1 | 174.6 | 0 | 0 | 112.5 | L261 S262 I263 H267 K268 L270 | L261-E265 WeakPolarHBondContact O-CG 3.49Å; L261-E265 PolarHBondContact O-N 3.39Å; S262-E265 PolarHBondContact O-N 3.31Å; I263-E265 VanDerWaalsContact C-N 3.3Å; I263-E265 PolarHBondContact O-N 3.07Å; E265-H267 PolarHBondContact O-N 3.2Å; E265-K268 WeakPolarHBondContact O-CA 3.44Å; E265-K268 PolarHBondContact O-N 3.46Å; E265-L270 HydrophobicContact CG-CB 4.07Å; E265-L270 HydrophobicContact CG-CD2 3.58Å; E265-L270 HydrophobicContact CG-CG 4.31Å; E265-L270 WeakPolarHBondContact OE1-CD2 3.27Å |
| 266 | R | 92.5 | Very high | 88.1 | Confident | 157 Ų | 157 | 62.3 Ų | 62.3 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -55.8 | -39.3 | 177.9 | -174.6 | -176.1 | -59.6 | 160.4 | 1.3 | 112 | E204 S262 I263 K268 | E204-R266 IonicContact OE1-CZ 3.06Å; E204-R266 IonicContact OE1-NH1 3.47Å; E204-R266 PolarHBondContact OE1-NH1 3.1Å; S262-R266 WeakPolarHBondContact O-CB 3.18Å; S262-R266 PolarHBondContact O-N 2.87Å; I263-R266 PolarHBondContact O-N 3.36Å; R266-K268 VanDerWaalsContact C-N 3.32Å |
| 267 | H | 92.3 | Very high | 88.6 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 5.7 | 176.3 | -67.6 | -73.2 | 0 | 0 | 0 | 114 | L195 A198 A200 E204 I263 E265 L269 | L195-H267 HydrophobicContact CD2-CB 4.39Å; A198-H267 HydrophobicContact CB-CB 3.98Å; A198-H267 PolarHBondContact O-ND1 3.36Å; A198-H267 VanDerWaalsContact O-ND1 3.1Å; A200-H267 VanDerWaalsContact CA-CE1 3.41Å; A200-H267 WeakPolarHBondContact CA-CE1 3.42Å; E204-H267 IonicContact OE1-NE2 3.75Å; E204-H267 IonicContact OE2-NE2 3.71Å; I263-H267 PolarHBondContact O-CD2 3.5Å; I263-H267 VanDerWaalsContact O-CD2 3.25Å; I263-H267 PolarHBondContact O-N 3.47Å; E265-H267 PolarHBondContact O-N 3.2Å; H267-L269 HydrophobicContact CB-CD1 4.05Å; H267-L269 HydrophobicContact CB-CG 4.15Å; H267-L269 PolarHBondContact O-N 3.06Å |
| 268 | K | 91.3 | Very high | 88.9 | Confident | 183 Ų | 183 | 59.9 Ų | 59.9 | 80% | 0.796 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 31 | -179.8 | -54.3 | 176.5 | -179.2 | 176.3 | 0 | 113.6 | L264 E265 R266 | L264-K268 PolarHBondContact O-N 2.92Å; E265-K268 WeakPolarHBondContact O-CA 3.44Å; E265-K268 PolarHBondContact O-N 3.46Å; R266-K268 VanDerWaalsContact C-N 3.32Å |
| 269 | L | 90.1 | Very high | 89 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | trans | -99.9 | -18.7 | -175.7 | -73.4 | 178.1 | 0 | 0 | 0 | 113.3 | R194 L195 A198 L264 H267 S271 S272 M273 | R194-L269 HydrophobicContact CB-CD1 4.12Å; R194-L269 HydrophobicContact CB-CD2 4.15Å; L195-L269 HydrophobicContact CB-CD1 4.45Å; L195-L269 HydrophobicContact CD2-CD1 3.75Å; L195-L269 HydrophobicContact CG-CD1 3.85Å; A198-L269 HydrophobicContact CB-CD1 4.17Å; L264-L269 HydrophobicContact CD2-CB 4.38Å; L264-L269 PolarHBondContact O-N 2.92Å; H267-L269 HydrophobicContact CB-CD1 4.05Å; H267-L269 HydrophobicContact CB-CG 4.15Å; H267-L269 PolarHBondContact O-N 3.06Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 3.5Å; L269-S272 WeakPolarHBondContact O-CA 3.39Å; L269-S272 PolarHBondContact O-N 2.94Å; L269-S272 PolarHBondContact O-OG 2.84Å; L269-M273 HydrophobicContact CB-CE 3.88Å; L269-M273 HydrophobicContact CD2-CE 4.39Å; L269-M273 WeakPolarHBondContact O-CG 3.28Å; L269-M273 PolarHBondContact O-N 3.17Å | ||
| 270 | L | 85.4 | Confident | 89 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -50.2 | -46.9 | -171.8 | -173.6 | 69.9 | 0 | 0 | 0 | 113.9 | L261 L264 E265 S272 M273 | L261-L270 HydrophobicContact CD2-CD1 3.6Å; L264-L270 HydrophobicContact CB-CB 4.39Å; L264-L270 HydrophobicContact CB-CD1 4.25Å; L264-L270 HydrophobicContact CD1-CD1 4.39Å; L264-L270 PolarHBondContact O-N 2.8Å; E265-L270 HydrophobicContact CG-CB 4.07Å; E265-L270 HydrophobicContact CG-CD2 3.58Å; E265-L270 HydrophobicContact CG-CG 4.31Å; E265-L270 WeakPolarHBondContact OE1-CD2 3.27Å; L270-S272 PolarHBondContact O-N 2.94Å; L270-M273 PolarHBondContact O-N 3.26Å |
| 271 | S | 84.5 | Confident | 88.9 | Confident | 122 Ų | 122 | 57 Ų | 57 | 85% | 0.853 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -72.3 | -13.9 | -179.5 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | L269 | L269-S271 VanDerWaalsContact C-N 3.33Å; L269-S271 PolarHBondContact O-N 3.5Å |
| 272 | S | 87.8 | Confident | 88.5 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -101.6 | -0.3 | -177.1 | 78.3 | 0 | 0 | 0 | 0 | 113.7 | R194 L269 L270 | R194-S272 PolarHBondContact NH1-O 3.4Å; R194-S272 PolarHBondContact NH1-OG 3.41Å; L269-S272 WeakPolarHBondContact O-CA 3.39Å; L269-S272 PolarHBondContact O-N 2.94Å; L269-S272 PolarHBondContact O-OG 2.84Å; L270-S272 PolarHBondContact O-N 2.94Å |
| 273 | M | 88.3 | Confident | 87.9 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -78.1 | 146.6 | -177.7 | -65.2 | -62.5 | 92.2 | 0 | 0 | 111.9 | V191 L264 L269 L270 | V191-M273 HydrophobicContact CB-SD 4.39Å; V191-M273 HydrophobicContact CG1-SD 4.03Å; V191-M273 HydrophobicContact CG2-SD 3.79Å; L264-M273 HydrophobicContact CD1-CG 4.23Å; L264-M273 HydrophobicContact CD2-CG 4.32Å; L264-M273 HydrophobicContact CD2-SD 3.91Å; L269-M273 HydrophobicContact CB-CE 3.88Å; L269-M273 HydrophobicContact CD2-CE 4.39Å; L269-M273 WeakPolarHBondContact O-CG 3.28Å; L269-M273 PolarHBondContact O-N 3.17Å; L270-M273 PolarHBondContact O-N 3.26Å |
| 274 | P | 89.1 | Confident | 86.5 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | trans | -58.1 | 147.3 | 173.5 | -22.4 | 32.7 | 0 | 0 | 0 | 112.5 | E187 S276 V277 T278 | E187-P274 HydrophobicContact CB-CG 4.24Å; E187-P274 HydrophobicContact CG-CB 4.16Å; E187-P274 HydrophobicContact CG-CG 3.99Å; E187-P274 WeakPolarHBondContact OE1-CB 3.49Å; P274-S276 PolarHBondContact O-N 3.05Å; P274-V277 HydrophobicContact CB-CG2 4.23Å; P274-V277 HydrophobicContact CG-CG2 4.22Å; P274-V277 WeakPolarHBondContact O-CB 3.03Å; P274-V277 PolarHBondContact O-N 3.41Å; P274-T278 PolarHBondContact O-N 3.05Å; P274-T278 PolarHBondContact O-OG1 3.23Å | ||
| 275 | A | 89 | Confident | 85 | Confident | 83 Ų | 83 | 69.4 Ų | 69.4 | 69% | 0.686 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.7 | -33.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V277 T278 Q279 | A275-V277 VanDerWaalsContact C-N 3.33Å; A275-V277 PolarHBondContact O-N 3.36Å; A275-T278 PolarHBondContact O-N 3.33Å; A275-Q279 WeakPolarHBondContact O-CB 3.35Å; A275-Q279 PolarHBondContact O-N 2.97Å |
| 276 | S | 90.9 | Very high | 83.3 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | E187 P274 Q279 V280 | E187-S276 PolarHBondContact OE1-OG 3.13Å; E187-S276 PolarHBondContact OE2-OG 3.5Å; P274-S276 PolarHBondContact O-N 3.05Å; S276-Q279 PolarHBondContact O-N 3.26Å; S276-V280 WeakPolarHBondContact O-CG2 3.46Å; S276-V280 PolarHBondContact O-N 3.11Å; S276-V280 VanDerWaalsContact O-N 3.13Å |
| 277 | V | 88.2 | Confident | 81.7 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.2 | -47.7 | 179.3 | 176.6 | 0 | 0 | 0 | 0 | 110 | I183 V191 L212 P274 A275 Q279 V280 L281 | I183-V277 HydrophobicContact CD1-CG2 4.21Å; I183-V277 HydrophobicContact CG1-CG2 4.19Å; I183-V277 HydrophobicContact CG2-CG2 4.38Å; V191-V277 HydrophobicContact CG2-CG1 4.47Å; V191-V277 HydrophobicContact CG2-CG2 3.92Å; L212-V277 HydrophobicContact CD1-CG1 4.28Å; L212-V277 HydrophobicContact CD2-CG1 3.99Å; P274-V277 HydrophobicContact CB-CG2 4.23Å; P274-V277 HydrophobicContact CG-CG2 4.22Å; P274-V277 WeakPolarHBondContact O-CB 3.03Å; P274-V277 PolarHBondContact O-N 3.41Å; A275-V277 VanDerWaalsContact C-N 3.33Å; A275-V277 PolarHBondContact O-N 3.36Å; V277-Q279 VanDerWaalsContact C-N 3.26Å; V277-Q279 PolarHBondContact O-N 2.89Å; V277-V280 PolarHBondContact O-N 3.49Å; V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.42Å; V277-L281 WeakPolarHBondContact O-CG 3.43Å; V277-L281 PolarHBondContact O-N 3.15Å |
| 278 | T | 86.8 | Confident | 79.8 | Confident | 63 Ų | 63 | 61 Ų | 61 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 176.3 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | P274 A275 L281 A282 | P274-T278 PolarHBondContact O-N 3.05Å; P274-T278 PolarHBondContact O-OG1 3.23Å; A275-T278 PolarHBondContact O-N 3.33Å; T278-L281 PolarHBondContact O-N 3.34Å; T278-A282 VanDerWaalsContact O-CB 3.25Å; T278-A282 WeakPolarHBondContact O-CB 3.31Å; T278-A282 PolarHBondContact O-N 3.04Å |
| 279 | Q | 86.8 | Confident | 77.8 | Confident | 111 Ų | 111 | 59.5 Ų | 59.5 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.6 | -176.7 | -175.8 | 1.2 | 0 | 0 | 112.5 | A275 S276 V277 A282 | A275-Q279 WeakPolarHBondContact O-CB 3.35Å; A275-Q279 PolarHBondContact O-N 2.97Å; S276-Q279 PolarHBondContact O-N 3.26Å; V277-Q279 VanDerWaalsContact C-N 3.26Å; V277-Q279 PolarHBondContact O-N 2.89Å; Q279-A282 PolarHBondContact O-N 2.93Å |
| 280 | V | 85.8 | Confident | 75.7 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 177.6 | 169.7 | 0 | 0 | 0 | 0 | 111 | I180 I183 S276 V277 A282 R283 | I180-V280 HydrophobicContact CB-CG1 4.27Å; I180-V280 HydrophobicContact CB-CG2 4.41Å; I180-V280 HydrophobicContact CD1-CG1 4.05Å; I180-V280 HydrophobicContact CG2-CG1 4.1Å; I180-V280 HydrophobicContact CG2-CG2 4.02Å; I183-V280 HydrophobicContact CD1-CB 3.87Å; I183-V280 HydrophobicContact CD1-CG1 4.15Å; I183-V280 HydrophobicContact CD1-CG2 3.65Å; I183-V280 HydrophobicContact CG1-CG2 3.92Å; S276-V280 WeakPolarHBondContact O-CG2 3.46Å; S276-V280 PolarHBondContact O-N 3.11Å; S276-V280 VanDerWaalsContact O-N 3.13Å; V277-V280 PolarHBondContact O-N 3.49Å; V280-A282 VanDerWaalsContact C-N 3.3Å; V280-A282 PolarHBondContact O-N 3.42Å; V280-R283 PolarHBondContact O-N 3.14Å |
| 281 | L | 84.9 | Confident | 73.6 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74.6 | -17.6 | 178.3 | -63.9 | 176.7 | 0 | 0 | 0 | 113.7 | A211 L212 P257 V260 L261 L264 V277 T278 R283 | A211-L281 HydrophobicContact CB-CD2 4.42Å; L212-L281 HydrophobicContact CD2-CD2 4.09Å; L212-L281 HydrophobicContact CD2-CG 4.31Å; P257-L281 VanDerWaalsContact CB-O 3.28Å; P257-L281 WeakPolarHBondContact CB-O 3.43Å; V260-L281 HydrophobicContact CB-CD2 4.07Å; V260-L281 HydrophobicContact CG1-CD1 3.86Å; V260-L281 HydrophobicContact CG1-CD2 3.63Å; V260-L281 HydrophobicContact CG1-CG 4.42Å; L261-L281 HydrophobicContact CD2-CB 4.13Å; L261-L281 HydrophobicContact CD2-CD1 4.11Å; L261-L281 HydrophobicContact CG-CB 4.49Å; L264-L281 HydrophobicContact CD1-CD1 3.65Å; V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.42Å; V277-L281 WeakPolarHBondContact O-CG 3.43Å; V277-L281 PolarHBondContact O-N 3.15Å; T278-L281 PolarHBondContact O-N 3.34Å; L281-R283 VanDerWaalsContact C-N 3.29Å |
| 282 | A | 82.3 | Confident | 71.6 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 63% | 0.628 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -5.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | T278 Q279 V280 | T278-A282 VanDerWaalsContact O-CB 3.25Å; T278-A282 WeakPolarHBondContact O-CB 3.31Å; T278-A282 PolarHBondContact O-N 3.04Å; Q279-A282 PolarHBondContact O-N 2.93Å; V280-A282 VanDerWaalsContact C-N 3.3Å; V280-A282 PolarHBondContact O-N 3.42Å |
| 283 | R | 77.1 | Confident | 69.2 | Low | 88 Ų | 88 | 74 Ų | 74 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -69.8 | 140.6 | 179.1 | -67.9 | -174.7 | -169.2 | -178.3 | 5.9 | 111.2 | P181 V280 L281 E290 | P181-R283 PolarHBondContact O-NH2 2.84Å; V280-R283 PolarHBondContact O-N 3.14Å; L281-R283 VanDerWaalsContact C-N 3.29Å; R283-E290 WeakPolarHBondContact CB-OE1 3.43Å; R283-E290 WeakPolarHBondContact CD-OE1 3.34Å; R283-E290 WeakPolarHBondContact CD-OE2 3.41Å; R283-E290 IonicContact NH1-OE2 3.83Å |
| 284 | Q | 60.8 | Low | 66.8 | Low | 185 Ų | 185 | 79.9 Ų | 79.9 | 86% | 0.864 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -84.6 | 121.7 | -177.1 | -71.1 | -165.9 | -1.1 | 0 | 0 | 111.7 | ||
| 285 | G | 59.3 | Low | 64.2 | Low | 24 Ų | 24 | 83.8 Ų | 83.8 | 25% | 0.247 | 44% | 0.44 | C | S | . | . | S | Bend | trans | 97.1 | 168.7 | 171 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 286 | P | 56.1 | Low | 62 | Low | 9 Ų | 9 | 85.3 Ų | 85.3 | 6% | 0.058 | 44% | 0.436 | C | S | . | . | trans | -66.7 | 145.2 | 178 | 27 | -32.7 | 0 | 0 | 0 | 110.5 | W256 W288 K289 | W256-P286 HydrophobicContact CH2-CG 4.4Å; W256-P286 HydrophobicContact CZ2-CG 4.49Å; P286-W288 PolarHBondContact O-N 2.62Å; P286-K289 HydrophobicContact CG-CD 3.96Å; P286-K289 HydrophobicContact CG-CG 4.21Å; P286-K289 PolarHBondContact O-N 3.13Å | ||
| 287 | R | 58.6 | Low | 60.1 | Low | 64 Ų | 64 | 89.4 Ų | 89.4 | 24% | 0.242 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -38.9 | -28.6 | -174.1 | -166.2 | 168.8 | -177.5 | -106.6 | -39.4 | 117.5 | S213 L214 K216 | S213-R287 VanDerWaalsContact C-CZ 3.45Å; S213-R287 PolarHBondContact O-NE 3.29Å; S213-R287 PolarHBondContact O-NH1 2.85Å; S213-R287 PolarHBondContact O-NH2 2.88Å; L214-R287 PolarHBondContact O-NH1 3.42Å; L214-R287 PolarHBondContact O-NH2 3.35Å; K216-R287 PolarHBondContact O-NH1 3.41Å |
| 288 | W | 52.1 | Low | 58.5 | Low | 56 Ų | 56 | 91.1 Ų | 91.1 | 21% | 0.212 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -8.5 | -174.7 | -53.4 | 118.9 | 0 | 0 | 0 | 114.6 | G217 H222 P286 | G217-W288 PolarHBondContact O-NE1 2.97Å; H222-W288 HydrophobicContact CB-CD2 4.23Å; H222-W288 HydrophobicContact CB-CE3 3.68Å; H222-W288 HydrophobicContact CB-CH2 3.86Å; H222-W288 HydrophobicContact CB-CZ2 4.3Å; H222-W288 HydrophobicContact CB-CZ3 3.49Å; H222-W288 VanDerWaalsContact CB-CZ3 3.49Å; H222-W288 AromaticContact CD2-CE3 3.25Å; H222-W288 AromaticContact CD2-CZ3 3.08Å; H222-W288 WeakPolarHBondContact CD2-CZ3 3.35Å; H222-W288 AromaticContact CE1-CE3 3.72Å; H222-W288 AromaticContact CG-CE3 3.17Å; H222-W288 AromaticContact CG-CZ3 3.26Å; H222-W288 AromaticContact ND1-CE3 3.5Å; H222-W288 AromaticContact NE2-CE3 3.56Å; H222-W288 AromaticContact NE2-CZ3 3.79Å; P286-W288 PolarHBondContact O-N 2.62Å |
| 289 | K | 49.5 | Very low | 57.2 | Low | 153 Ų | 153 | 90.8 Ų | 90.8 | 67% | 0.665 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -95.2 | -2.8 | -176.2 | -74.9 | -172.4 | 178.7 | 174.9 | 0 | 114.8 | P286 N291 | P286-K289 HydrophobicContact CG-CD 3.96Å; P286-K289 HydrophobicContact CG-CG 4.21Å; P286-K289 PolarHBondContact O-N 3.13Å; K289-N291 VanDerWaalsContact C-N 3.29Å; K289-N291 PolarHBondContact O-N 3.49Å |
| 290 | E | 45.8 | Very low | 56.6 | Low | 91 Ų | 91 | 94.8 Ų | 94.8 | 43% | 0.425 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -74.2 | -9 | -174.7 | -79 | -165.6 | 138.6 | 0 | 0 | 114.7 | R283 | R283-E290 WeakPolarHBondContact CB-OE1 3.43Å; R283-E290 WeakPolarHBondContact CD-OE1 3.34Å; R283-E290 WeakPolarHBondContact CD-OE2 3.41Å; R283-E290 IonicContact NH1-OE2 3.83Å |
| 291 | N | 41.2 | Very low | 56.6 | Low | 161 Ų | 161 | 95 Ų | 95 | 86% | 0.861 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -144.2 | -2.4 | -179 | -93.6 | -26.4 | 0 | 0 | 0 | 118.4 | K289 | K289-N291 VanDerWaalsContact C-N 3.29Å; K289-N291 PolarHBondContact O-N 3.49Å |
| 292 | D | 42.5 | Very low | 57.1 | Low | 91 Ų | 91 | 96.7 Ų | 96.7 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | trans | -100.1 | 103.8 | -177.9 | -103.8 | -35.5 | 0 | 0 | 0 | 112.8 | H294 | D292-H294 WeakPolarHBondContact CB-O 3.06Å; D292-H294 PolarHBondContact O-N 2.69Å | ||
| 293 | K | 37.1 | Very low | 57.6 | Low | 211 Ų | 211 | 94.5 Ų | 94.5 | 92% | 0.917 | 49% | 0.493 | S | S | * | . | trans | -72.2 | -1.1 | 155.8 | -77 | -174.9 | 177.6 | 178.9 | 0 | 111.9 | ||||
| 294 | H | 39.2 | Very low | 58.5 | Low | 140 Ų | 140 | 90.5 Ų | 90.5 | 65% | 0.648 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -100.5 | 115.4 | 172.4 | -74.6 | -71.5 | 0 | 0 | 0 | 109.9 | D292 D296 | D292-H294 WeakPolarHBondContact CB-O 3.06Å; D292-H294 PolarHBondContact O-N 2.69Å; H294-D296 PolarHBondContact O-N 2.93Å |
| 295 | S | 35 | Very low | 60.2 | Low | 120 Ų | 120 | 84.2 Ų | 84.2 | 84% | 0.839 | 45% | 0.454 | S | S | * | . | trans | -72.3 | 25.3 | -176.5 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 296 | D | 43 | Very low | 61.9 | Low | 114 Ų | 114 | 84 Ų | 84 | 61% | 0.61 | 45% | 0.447 | S | S | * | . | trans | -97.5 | 104.4 | -177.9 | -70.1 | -20.1 | 0 | 0 | 0 | 108.5 | H294 | H294-D296 PolarHBondContact O-N 2.93Š| ||
| 297 | S | 51 | Low | 63.8 | Low | 100 Ų | 100 | 83.6 Ų | 83.6 | 70% | 0.699 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -49.7 | 132.9 | 164.5 | 47.5 | 0 | 0 | 0 | 0 | 108.6 | G299 | S297-G299 PolarHBondContact O-N 2.92Š|
| 298 | P | 53.9 | Low | 65.6 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 23% | 0.234 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 130.6 | 175.2 | 20.6 | -30.5 | 0 | 0 | 0 | 108.4 | T252 E300 | T252-P298 HydrophobicContact CG2-CG 4.37Å; P298-E300 PolarHBondContact O-N 3.15Å |
| 299 | G | 59.4 | Low | 67.8 | Low | 57 Ų | 57 | 78.2 Ų | 78.2 | 59% | 0.588 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 139 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | S297 A301 | S297-G299 PolarHBondContact O-N 2.92Å; G299-A301 PolarHBondContact O-N 2.99Å; G299-A301 VanDerWaalsContact O-N 3.1Å |
| 300 | E | 73.6 | Confident | 70 | Confident | 194 Ų | 194 | 74 Ų | 74 | 91% | 0.907 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 117.5 | -179.7 | -105.6 | 178.3 | 169.9 | 0 | 0 | 109.8 | P298 | P298-E300 PolarHBondContact O-N 3.15Š|
| 301 | A | 87.2 | Confident | 72.4 | Confident | 17 Ų | 17 | 71.6 Ų | 71.6 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 137 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | A221 V229 G299 N303 | A221-A301 HydrophobicContact CB-CB 4.31Å; V229-A301 HydrophobicContact CB-CB 3.86Å; V229-A301 HydrophobicContact CG1-CB 3.93Å; V229-A301 WeakPolarHBondContact O-CA 3.23Å; G299-A301 PolarHBondContact O-N 2.99Å; G299-A301 VanDerWaalsContact O-N 3.1Å; A301-N303 PolarHBondContact O-N 2.84Å; A301-N303 PolarHBondContact O-ND2 2.78Å |
| 302 | L | 93.6 | Very high | 75.1 | Confident | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.5 | 171 | 178.4 | 64.7 | 0 | 0 | 0 | 108.3 | C66 V229 V230 S231 | C66-L302 HydrophobicContact CB-CD2 3.49Å; C66-L302 VanDerWaalsContact CB-CD2 3.49Å; V229-L302 PolarHBondContact O-N 3.18Å; V230-L302 CarbonylContact C-O 3.52Å; V230-L302 WeakPolarHBondContact CA-O 3.39Å; V230-L302 HydrophobicContact CG1-CB 4.47Å; V230-L302 HydrophobicContact CG1-CD2 4.02Å; V230-L302 HydrophobicContact CG1-CG 4.4Å; V230-L302 HydrophobicContact CG2-CB 4.21Å; V230-L302 HydrophobicContact CG2-CD2 4.25Å; S231-L302 PolarHBondContact N-O 3.33Å |
| 303 | N | 94.6 | Very high | 77.7 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 16% | 0.16 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 106 | -179.9 | -69.6 | -80.7 | 0 | 0 | 0 | 109.4 | S231 I233 L242 T250 A301 | S231-N303 WeakPolarHBondContact CB-OD1 3.17Å; S231-N303 PolarHBondContact OG-OD1 3.34Å; I233-N303 HydrophobicContact CD1-CB 4.19Å; L242-N303 HydrophobicContact CD1-CB 3.92Å; L242-N303 HydrophobicContact CD2-CB 4.31Å; T250-N303 WeakPolarHBondContact CB-OD1 3.27Å; T250-N303 PolarHBondContact O-ND2 3.29Å; T250-N303 PolarHBondContact OG1-OD1 2.85Å; A301-N303 PolarHBondContact O-N 2.84Å; A301-N303 PolarHBondContact O-ND2 2.78Å |
| 304 | A | 95.2 | Very high | 80.5 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I63 D64 S231 L232 I233 I306 | I63-A304 HydrophobicContact CG2-CB 4.37Å; D64-A304 HydrophobicContact CB-CB 3.85Å; S231-A304 PolarHBondContact O-N 3.46Å; L232-A304 HydrophobicContact CD2-CB 4.29Å; I233-A304 PolarHBondContact N-O 3.34Å; A304-I306 HydrophobicContact CB-CG2 4.11Å; A304-I306 PolarHBondContact O-N 3.1Å |
| 305 | V | 95.8 | Very high | 83.1 | Confident | 54 Ų | 54 | 48 Ų | 48 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 100.5 | 169.1 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | I233 D240 L242 | I233-V305 HydrophobicContact CB-CG2 4.43Å; I233-V305 CarbonylContact O-C 3.54Å; D240-V305 HydrophobicContact CB-CG1 4.4Å; L242-V305 HydrophobicContact CD2-CG2 3.62Å |
| 306 | I | 95.9 | Very high | 86.1 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -17.2 | -174.5 | 63.7 | 162 | 0 | 0 | 0 | 112.8 | V49 V50 M86 L232 I233 A304 | V49-I306 HydrophobicContact CB-CD1 4.1Å; V49-I306 HydrophobicContact CB-CG1 4.28Å; V49-I306 HydrophobicContact CG2-CD1 3.76Å; V49-I306 HydrophobicContact CG2-CG1 4.18Å; V50-I306 HydrophobicContact CG2-CD1 3.82Å; M86-I306 HydrophobicContact CE-CD1 4.08Å; L232-I306 HydrophobicContact CB-CD1 3.87Å; L232-I306 HydrophobicContact CB-CG1 4.29Å; L232-I306 HydrophobicContact CB-CG2 4.39Å; L232-I306 HydrophobicContact CD1-CD1 4.42Å; L232-I306 HydrophobicContact CD2-CG2 3.95Å; I233-I306 PolarHBondContact O-N 3.31Å; A304-I306 HydrophobicContact CB-CG2 4.11Å; A304-I306 PolarHBondContact O-N 3.1Å |
| 307 | G | 96.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 133.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I233 L234 S235 | I233-G307 PolarHBondContact O-N 3.32Å; L234-G307 WeakPolarHBondContact CA-O 3.05Å; S235-G307 PolarHBondContact N-O 3.13Å |
| 308 | S | 96.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | trans | -156 | 177.7 | 173.9 | 74.8 | 0 | 0 | 0 | 0 | 110.6 | D240 T310 V311 A312 | D240-S308 VanDerWaalsContact CG-CB 3.44Å; D240-S308 VanDerWaalsContact OD1-CB 3.27Å; D240-S308 WeakPolarHBondContact OD1-CB 3.44Å; D240-S308 WeakPolarHBondContact OD2-CB 3.49Å; D240-S308 PolarHBondContact OD2-OG 3.02Å; S308-T310 PolarHBondContact O-N 3.12Å; S308-T310 PolarHBondContact OG-N 3.42Å; S308-V311 WeakPolarHBondContact O-CB 3.45Å; S308-V311 PolarHBondContact O-N 3.2Å; S308-V311 VanDerWaalsContact O-N 3.14Å; S308-A312 PolarHBondContact O-N 3.15Å | ||
| 309 | N | 96.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 177 | -164.1 | -88.9 | 0 | 0 | 0 | 111.4 | V311 A312 L313 P332 G403 V508 M509 D510 | N309-V311 VanDerWaalsContact C-N 3.3Å; N309-V311 PolarHBondContact O-N 3.4Å; N309-A312 WeakPolarHBondContact O-CB 3.2Å; N309-A312 PolarHBondContact O-N 2.96Å; N309-A312 VanDerWaalsContact O-N 3.15Å; N309-L313 WeakPolarHBondContact O-CG 3.27Å; N309-L313 PolarHBondContact O-N 3.23Å; N309-L313 WeakPolarHBondContact OD1-CD1 3.3Å; N309-P332 HydrophobicContact CB-CB 4.35Å; N309-P332 WeakPolarHBondContact OD1-CA 3.39Å; N309-G403 VanDerWaalsContact OD1-CA 3.23Å; N309-G403 WeakPolarHBondContact OD1-CA 3.48Å; N309-V508 WeakPolarHBondContact CB-O 3.48Å; N309-V508 PolarHBondContact ND2-O 3.1Å; N309-M509 HydrophobicContact CB-CE 3.58Å; N309-D510 PolarHBondContact ND2-O 3.26Å |
| 310 | T | 96.3 | Very high | 94.3 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 39% | 0.393 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.4 | -42.4 | 175.4 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | S308 T314 P332 | S308-T310 PolarHBondContact O-N 3.12Å; S308-T310 PolarHBondContact OG-N 3.42Å; T310-T314 WeakPolarHBondContact O-CB 3.31Å; T310-T314 PolarHBondContact O-N 3.21Å; T310-T314 PolarHBondContact O-OG1 2.93Å; T310-P332 WeakPolarHBondContact OG1-CB 3.32Å |
| 311 | V | 95.8 | Very high | 95.3 | Very high | 42 Ų | 42 | 34.2 Ų | 34.2 | 26% | 0.255 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.3 | -47.6 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | V44 S308 N309 L313 T314 C315 | V44-V311 HydrophobicContact CG1-CB 4.3Å; V44-V311 HydrophobicContact CG1-CG1 4.29Å; S308-V311 WeakPolarHBondContact O-CB 3.45Å; S308-V311 PolarHBondContact O-N 3.2Å; S308-V311 VanDerWaalsContact O-N 3.14Å; N309-V311 VanDerWaalsContact C-N 3.3Å; N309-V311 PolarHBondContact O-N 3.4Å; V311-L313 PolarHBondContact O-N 2.91Å; V311-T314 PolarHBondContact O-N 2.83Å; V311-C315 PolarHBondContact O-N 2.97Å |
| 312 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -48.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A40 V44 S308 N309 T314 C315 A316 V508 | A40-A312 HydrophobicContact CB-CB 4.25Å; A40-A312 WeakPolarHBondContact O-CB 3.32Å; V44-A312 HydrophobicContact CG1-CB 3.79Å; V44-A312 HydrophobicContact CG2-CB 4.33Å; S308-A312 PolarHBondContact O-N 3.15Å; N309-A312 WeakPolarHBondContact O-CB 3.2Å; N309-A312 PolarHBondContact O-N 2.96Å; N309-A312 VanDerWaalsContact O-N 3.15Å; A312-T314 PolarHBondContact O-N 2.9Å; A312-C315 PolarHBondContact O-N 2.69Å; A312-A316 VanDerWaalsContact O-CB 3.27Å; A312-A316 WeakPolarHBondContact O-CB 3.48Å; A312-A316 PolarHBondContact O-N 2.79Å; A312-V508 HydrophobicContact CB-CG2 4.07Å |
| 313 | L | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67 | -36.2 | 179.4 | -62 | -177.8 | 0 | 0 | 0 | 112.6 | N309 V311 A316 G317 V329 P332 L401 A402 V511 | N309-L313 WeakPolarHBondContact O-CG 3.27Å; N309-L313 PolarHBondContact O-N 3.23Å; N309-L313 WeakPolarHBondContact OD1-CD1 3.3Å; V311-L313 PolarHBondContact O-N 2.91Å; L313-A316 PolarHBondContact O-N 2.93Å; L313-G317 PolarHBondContact O-N 2.9Å; L313-V329 HydrophobicContact CB-CG1 4.38Å; L313-V329 HydrophobicContact CB-CG2 4.4Å; L313-V329 HydrophobicContact CD1-CG1 3.93Å; L313-P332 HydrophobicContact CD1-CB 4.06Å; L313-L401 HydrophobicContact CD2-CB 4.34Å; L313-A402 VanDerWaalsContact CD2-O 3.32Å; L313-A402 WeakPolarHBondContact CD2-O 3.41Å; L313-V511 HydrophobicContact CD2-CG1 4.08Å; L313-V511 HydrophobicContact CD2-CG2 4.28Å |
| 314 | T | 95.9 | Very high | 95.1 | Very high | 75 Ų | 75 | 37 Ų | 37 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.3 | -46.5 | 177.9 | -61.5 | 0 | 0 | 0 | 0 | 111 | T310 V311 A312 G317 Q318 | T310-T314 WeakPolarHBondContact O-CB 3.31Å; T310-T314 PolarHBondContact O-N 3.21Å; T310-T314 PolarHBondContact O-OG1 2.93Å; V311-T314 PolarHBondContact O-N 2.83Å; A312-T314 PolarHBondContact O-N 2.9Å; T314-G317 PolarHBondContact O-N 3.16Å; T314-Q318 PolarHBondContact O-N 3.16Å |
| 315 | C | 94.4 | Very high | 95 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.5 | -40.5 | 176.7 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | A43 V311 A312 G317 Q318 R319 | A43-C315 HydrophobicContact CB-CB 3.32Å; V311-C315 PolarHBondContact O-N 2.97Å; A312-C315 PolarHBondContact O-N 2.69Å; C315-G317 VanDerWaalsContact C-N 3.26Å; C315-G317 PolarHBondContact O-N 3.15Å; C315-Q318 WeakPolarHBondContact O-CB 3.42Å; C315-Q318 PolarHBondContact O-N 3.45Å; C315-R319 PolarHBondContact O-N 3Å |
| 316 | A | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -42 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T36 A40 A312 L313 Q318 R319 V320 L401 | T36-A316 HydrophobicContact CG2-CB 4.16Å; A40-A316 HydrophobicContact CB-CB 3.82Å; A312-A316 VanDerWaalsContact O-CB 3.27Å; A312-A316 WeakPolarHBondContact O-CB 3.48Å; A312-A316 PolarHBondContact O-N 2.79Å; L313-A316 PolarHBondContact O-N 2.93Å; A316-Q318 VanDerWaalsContact C-N 3.27Å; A316-Q318 PolarHBondContact O-N 2.92Å; A316-R319 PolarHBondContact O-N 3.45Å; A316-R319 VanDerWaalsContact O-N 3.15Å; A316-V320 WeakPolarHBondContact O-CB 3.12Å; A316-V320 VanDerWaalsContact O-CG2 3.25Å; A316-V320 WeakPolarHBondContact O-CG2 3.34Å; A316-V320 PolarHBondContact O-N 3.23Å; A316-L401 HydrophobicContact CB-CD1 4.11Å; A316-L401 HydrophobicContact CB-CD2 4.39Å |
| 317 | G | 96.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.1 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L313 T314 C315 R321 P327 | L313-G317 PolarHBondContact O-N 2.9Å; T314-G317 PolarHBondContact O-N 3.16Å; C315-G317 VanDerWaalsContact C-N 3.26Å; C315-G317 PolarHBondContact O-N 3.15Å; G317-R321 WeakPolarHBondContact O-CG 3.26Å; G317-R321 PolarHBondContact O-N 3.43Å; G317-P327 WeakPolarHBondContact O-CG 3.43Å |
| 318 | Q | 95.2 | Very high | 94.9 | Very high | 106 Ų | 106 | 40 Ų | 40 | 50% | 0.495 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.4 | -47.1 | 173.2 | -63.7 | 174.2 | 1.7 | 0 | 0 | 111.1 | T314 C315 A316 V320 R321 E322 | T314-Q318 PolarHBondContact O-N 3.16Å; C315-Q318 WeakPolarHBondContact O-CB 3.42Å; C315-Q318 PolarHBondContact O-N 3.45Å; A316-Q318 VanDerWaalsContact C-N 3.27Å; A316-Q318 PolarHBondContact O-N 2.92Å; Q318-V320 VanDerWaalsContact C-N 3.31Å; Q318-V320 PolarHBondContact O-N 3.41Å; Q318-R321 WeakPolarHBondContact O-CB 3.48Å; Q318-R321 PolarHBondContact O-N 2.82Å; Q318-R321 VanDerWaalsContact O-N 3.15Å; Q318-E322 PolarHBondContact O-N 3.39Å |
| 319 | R | 94.8 | Very high | 95 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 175.8 | 179.3 | 55.7 | 51.3 | 79.3 | 9.1 | 112.1 | E35 A39 C315 A316 R321 E322 L323 | E35-R319 HydrophobicContact CG-CG 4.42Å; E35-R319 IonicContact OE1-CZ 3.17Å; E35-R319 IonicContact OE1-NH1 3.5Å; E35-R319 PolarHBondContact OE1-NH1 3.12Å; A39-R319 HydrophobicContact CB-CB 3.67Å; A39-R319 HydrophobicContact CB-CG 3.71Å; C315-R319 PolarHBondContact O-N 3Å; A316-R319 PolarHBondContact O-N 3.45Å; A316-R319 VanDerWaalsContact O-N 3.15Å; R319-R321 VanDerWaalsContact C-N 3.29Å; R319-R321 PolarHBondContact O-N 3.3Å; R319-E322 WeakPolarHBondContact CD-OE2 3.33Å; R319-E322 IonicContact CZ-OE2 2.91Å; R319-E322 IonicContact NE-OE2 3.27Å; R319-E322 PolarHBondContact NE-OE2 3.25Å; R319-E322 IonicContact NH2-OE2 3.59Å; R319-E322 WeakPolarHBondContact O-CA 3.34Å; R319-E322 WeakPolarHBondContact O-CB 3.44Å; R319-E322 PolarHBondContact O-N 3.33Å; R319-L323 HydrophobicContact CG-CD1 4.3Å; R319-L323 WeakPolarHBondContact O-CG 3.16Å; R319-L323 PolarHBondContact O-N 3.18Å |
| 320 | V | 94.3 | Very high | 95 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58 | -39.5 | 175.7 | 163.7 | 0 | 0 | 0 | 0 | 112.2 | T36 A316 Q318 E322 L323 G324 F325 P327 C399 L401 | T36-V320 HydrophobicContact CG2-CG2 3.43Å; T36-V320 VanDerWaalsContact CG2-CG2 3.43Å; A316-V320 WeakPolarHBondContact O-CB 3.12Å; A316-V320 VanDerWaalsContact O-CG2 3.25Å; A316-V320 WeakPolarHBondContact O-CG2 3.34Å; A316-V320 PolarHBondContact O-N 3.23Å; Q318-V320 VanDerWaalsContact C-N 3.31Å; Q318-V320 PolarHBondContact O-N 3.41Å; V320-E322 VanDerWaalsContact C-N 3.32Å; V320-E322 PolarHBondContact O-N 2.97Å; V320-L323 PolarHBondContact O-N 2.95Å; V320-G324 PolarHBondContact O-N 2.66Å; V320-F325 HydrophobicContact CG1-CB 3.6Å; V320-F325 PolarHBondContact O-N 3.44Å; V320-F325 VanDerWaalsContact O-N 3.1Å; V320-P327 HydrophobicContact CB-CB 4.21Å; V320-P327 HydrophobicContact CG1-CB 3.76Å; V320-P327 HydrophobicContact CG1-CG 4.47Å; V320-C399 HydrophobicContact CB-CB 4.44Å; V320-C399 HydrophobicContact CG1-CB 3.35Å; V320-C399 HydrophobicContact CG2-CB 4.16Å; V320-L401 HydrophobicContact CG2-CD1 4.31Å; V320-L401 HydrophobicContact CG2-CD2 4.47Å |
| 321 | R | 94 | Very high | 95 | Very high | 163 Ų | 163 | 39.5 Ų | 39.5 | 62% | 0.615 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.3 | -40 | 174.2 | -67.2 | 177.7 | -171 | 124.9 | 2.7 | 111.7 | G317 Q318 R319 L323 G324 F325 P327 | G317-R321 WeakPolarHBondContact O-CG 3.26Å; G317-R321 PolarHBondContact O-N 3.43Å; Q318-R321 WeakPolarHBondContact O-CB 3.48Å; Q318-R321 PolarHBondContact O-N 2.82Å; Q318-R321 VanDerWaalsContact O-N 3.15Å; R319-R321 VanDerWaalsContact C-N 3.29Å; R319-R321 PolarHBondContact O-N 3.3Å; R321-L323 VanDerWaalsContact C-N 3.27Å; R321-L323 PolarHBondContact O-N 3.32Å; R321-G324 PolarHBondContact O-N 2.9Å; R321-F325 WeakPolarHBondContact CA-O 3.4Å; R321-P327 VanDerWaalsContact CG-CD 3.47Å; R321-P327 HydrophobicContact CG-CG 3.65Å |
| 322 | E | 92.1 | Very high | 95 | Very high | 101 Ų | 101 | 39.5 Ų | 39.5 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.2 | -32.2 | 176.7 | -60.6 | 170.7 | 170.2 | 0 | 0 | 112 | Q318 R319 V320 G324 | Q318-E322 PolarHBondContact O-N 3.39Å; R319-E322 WeakPolarHBondContact CD-OE2 3.33Å; R319-E322 IonicContact CZ-OE2 2.91Å; R319-E322 IonicContact NE-OE2 3.27Å; R319-E322 PolarHBondContact NE-OE2 3.25Å; R319-E322 IonicContact NH2-OE2 3.59Å; R319-E322 WeakPolarHBondContact O-CA 3.34Å; R319-E322 WeakPolarHBondContact O-CB 3.44Å; R319-E322 PolarHBondContact O-N 3.33Å; V320-E322 VanDerWaalsContact C-N 3.32Å; V320-E322 PolarHBondContact O-N 2.97Å; E322-G324 PolarHBondContact O-N 3.43Å |
| 323 | L | 90.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6 | 173.5 | -63.8 | 174.4 | 0 | 0 | 0 | 113.4 | F24 Q32 E35 R319 V320 R321 F325 | F24-L323 HydrophobicContact CB-CD2 4.21Å; F24-L323 HydrophobicContact CD1-CD2 3.85Å; F24-L323 HydrophobicContact CE1-CD2 4.38Å; F24-L323 HydrophobicContact CG-CD2 3.97Å; Q32-L323 HydrophobicContact CB-CD1 4.23Å; Q32-L323 HydrophobicContact CG-CD2 4.46Å; E35-L323 HydrophobicContact CB-CD1 4.47Å; E35-L323 HydrophobicContact CG-CD1 4.2Å; E35-L323 HydrophobicContact CG-CD2 4.33Å; R319-L323 HydrophobicContact CG-CD1 4.3Å; R319-L323 WeakPolarHBondContact O-CG 3.16Å; R319-L323 PolarHBondContact O-N 3.18Å; V320-L323 PolarHBondContact O-N 2.95Å; R321-L323 VanDerWaalsContact C-N 3.27Å; R321-L323 PolarHBondContact O-N 3.32Å; L323-F325 HydrophobicContact CB-CD2 4.17Å |
| 324 | G | 89.5 | Confident | 94.9 | Very high | 35 Ų | 35 | 40 Ų | 40 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 17.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V320 R321 E322 | V320-G324 PolarHBondContact O-N 2.66Å; R321-G324 PolarHBondContact O-N 2.9Å; E322-G324 PolarHBondContact O-N 3.43Å |
| 325 | F | 91.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | trans | -105 | 150.5 | 174.2 | -68.8 | -103.6 | 0 | 0 | 0 | 110.8 | V320 R321 L323 P327 A397 C399 L515 | V320-F325 HydrophobicContact CG1-CB 3.6Å; V320-F325 PolarHBondContact O-N 3.44Å; V320-F325 VanDerWaalsContact O-N 3.1Å; R321-F325 WeakPolarHBondContact CA-O 3.4Å; L323-F325 HydrophobicContact CB-CD2 4.17Å; F325-P327 VanDerWaalsContact O-CD 3.29Å; F325-P327 WeakPolarHBondContact O-CD 3.43Å; F325-A397 CarbonylContact C-O 3.52Å; F325-A397 VanDerWaalsContact CA-O 3.28Å; F325-A397 WeakPolarHBondContact CA-O 3.46Å; F325-A397 HydrophobicContact CD1-CB 3.5Å; F325-A397 HydrophobicContact CE1-CB 3.73Å; F325-A397 HydrophobicContact CG-CB 4Å; F325-A397 HydrophobicContact CZ-CB 4.39Å; F325-C399 HydrophobicContact CB-CB 4.02Å; F325-C399 HydrophobicContact CD1-CB 4.49Å; F325-C399 HydrophobicContact CG-CB 4.48Å; F325-L515 HydrophobicContact CD1-CD2 3.98Å; F325-L515 HydrophobicContact CE1-CB 4.16Å; F325-L515 HydrophobicContact CE1-CD2 3.96Å; F325-L515 HydrophobicContact CE1-CG 4.48Å; F325-L515 HydrophobicContact CG-CD2 4.3Å; F325-L515 HydrophobicContact CZ-CD1 4.33Å; F325-L515 HydrophobicContact CZ-CD2 4.26Å | ||
| 326 | R | 94.2 | Very high | 95 | Very high | 90 Ų | 90 | 38.1 Ų | 38.1 | 34% | 0.34 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 114.5 | 166.3 | -175.5 | 172.2 | 178 | -177.8 | -6.2 | 108.8 | V386 E389 E390 A397 C399 | R326-V386 HydrophobicContact CG-CG1 4.43Å; R326-E389 IonicContact CZ-OE2 2.79Å; R326-E389 IonicContact NH1-OE2 2.93Å; R326-E389 PolarHBondContact NH1-OE2 3.35Å; R326-E389 IonicContact NH2-OE2 3.04Å; R326-E389 PolarHBondContact NH2-OE2 2.86Å; R326-E390 WeakPolarHBondContact CD-OE1 3.29Å; R326-E390 IonicContact CZ-OE1 3.97Å; R326-E390 IonicContact NE-OE1 3.9Å; R326-E390 IonicContact NH1-OE1 2.94Å; R326-E390 PolarHBondContact NH1-OE1 3.43Å; R326-A397 PolarHBondContact N-O 2.89Å; R326-C399 PolarHBondContact O-N 3.27Å |
| 327 | P | 96.3 | Very high | 95 | Very high | 23 Ų | 23 | 40 Ų | 40 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 138.8 | 175.9 | 31.9 | -37.2 | 0 | 0 | 0 | 111 | G317 V320 R321 F325 L401 | G317-P327 WeakPolarHBondContact O-CG 3.43Å; V320-P327 HydrophobicContact CB-CB 4.21Å; V320-P327 HydrophobicContact CG1-CB 3.76Å; V320-P327 HydrophobicContact CG1-CG 4.47Å; R321-P327 VanDerWaalsContact CG-CD 3.47Å; R321-P327 HydrophobicContact CG-CG 3.65Å; F325-P327 VanDerWaalsContact O-CD 3.29Å; F325-P327 WeakPolarHBondContact O-CD 3.43Å; P327-L401 HydrophobicContact CB-CD1 4.47Å |
| 328 | V | 96.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 116.1 | 169.3 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | T383 V386 T398 C399 V400 L401 | V328-T383 HydrophobicContact CG1-CG2 4.05Å; V328-V386 HydrophobicContact CG2-CB 3.92Å; V328-V386 HydrophobicContact CG2-CG1 3.44Å; V328-V386 VanDerWaalsContact CG2-CG1 3.44Å; V328-V386 HydrophobicContact CG2-CG2 4.25Å; V328-T398 HydrophobicContact CG2-CG2 4Å; V328-C399 PolarHBondContact N-O 3.39Å; V328-V400 CarbonylContact O-C 3.45Å; V328-V400 WeakPolarHBondContact O-CA 3.34Å; V328-L401 PolarHBondContact O-N 2.83Å |
| 329 | V | 97.6 | Very high | 95.2 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 33% | 0.333 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117 | 172.7 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | L313 L401 | L313-V329 HydrophobicContact CB-CG1 4.38Å; L313-V329 HydrophobicContact CB-CG2 4.4Å; L313-V329 HydrophobicContact CD1-CG1 3.93Å; V329-L401 CarbonylContact C-O 3.03Å; V329-L401 WeakPolarHBondContact CA-O 2.91Å; V329-L401 HydrophobicContact CG2-CB 4.42Å |
| 330 | L | 97.5 | Very high | 95.3 | 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 | -79.6 | -51.4 | 178.5 | 176.9 | 64.7 | 0 | 0 | 0 | 111.7 | L344 Y345 L348 V375 D379 L380 T383 V400 L401 A402 | L330-L344 HydrophobicContact CD2-CD2 4.5Å; L330-Y345 HydrophobicContact CD2-CE1 4.19Å; L330-L348 HydrophobicContact CD1-CD1 4.4Å; L330-L348 HydrophobicContact CD2-CD1 3.81Å; L330-V375 HydrophobicContact CD1-CG1 3.74Å; L330-V375 HydrophobicContact CG-CG1 3.94Å; L330-V375 HydrophobicContact CG-CG2 4.4Å; L330-D379 WeakPolarHBondContact O-CB 3.29Å; L330-D379 VanDerWaalsContact O-CG 3.27Å; L330-L380 HydrophobicContact CD1-CD2 4.11Å; L330-T383 HydrophobicContact CD1-CG2 4.18Å; L330-T383 WeakPolarHBondContact CD1-OG1 3.23Å; L330-V400 HydrophobicContact CB-CG1 3.73Å; L330-V400 HydrophobicContact CD2-CG1 4.26Å; L330-V400 HydrophobicContact CG-CG1 4.5Å; L330-L401 PolarHBondContact N-O 3.25Å; L330-A402 HydrophobicContact CB-CB 4.03Å; L330-A402 HydrophobicContact CD2-CB 4.28Å |
| 331 | S | 97 | Very high | 95.5 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | 142.1 | 177 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | G333 G374 A402 G403 | S331-G333 VanDerWaalsContact C-N 3.29Å; S331-G333 PolarHBondContact OG-N 3.47Å; S331-G374 PolarHBondContact OG-O 3.02Å; S331-A402 CarbonylContact O-C 3.51Å; S331-A402 WeakPolarHBondContact O-CA 3.32Å; S331-A402 WeakPolarHBondContact O-CB 3.12Å; S331-G403 PolarHBondContact O-N 2.86Å |
| 332 | P | 95.6 | Very high | 95.7 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 2.7 | 166.3 | 36.1 | -34.9 | 0 | 0 | 0 | 113.4 | N309 T310 L313 G403 | N309-P332 HydrophobicContact CB-CB 4.35Å; N309-P332 WeakPolarHBondContact OD1-CA 3.39Å; T310-P332 WeakPolarHBondContact OG1-CB 3.32Å; L313-P332 HydrophobicContact CD1-CB 4.06Å; P332-G403 CarbonylContact C-O 3.59Å; P332-G403 CarbonylContact O-C 3.52Å |
| 333 | G | 95.6 | Very high | 96 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 26.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S331 C335 G403 | S331-G333 VanDerWaalsContact C-N 3.29Å; S331-G333 PolarHBondContact OG-N 3.47Å; G333-C335 PolarHBondContact O-N 2.81Å; G333-G403 PolarHBondContact N-O 3.25Å; G333-G403 VanDerWaalsContact N-O 3.16Å |
| 334 | V | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 124.5 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | V341 V373 V375 A402 G403 G404 E405 P406 | V334-V341 HydrophobicContact CG1-CG1 3.67Å; V334-V341 HydrophobicContact CG1-CG2 4.05Å; V334-V373 CarbonylContact C-O 3.11Å; V334-V373 WeakPolarHBondContact CA-O 3.15Å; V334-V375 HydrophobicContact CG2-CG2 4.01Å; V334-A402 HydrophobicContact CG2-CB 3.75Å; V334-G403 WeakPolarHBondContact CB-O 3.11Å; V334-G403 WeakPolarHBondContact CG2-O 3.47Å; V334-G403 PolarHBondContact N-O 2.98Å; V334-G404 CarbonylContact O-C 3.59Å; V334-G404 VanDerWaalsContact O-CA 3.29Å; V334-G404 WeakPolarHBondContact O-CA 3.21Å; V334-E405 PolarHBondContact O-N 3.03Å; V334-P406 HydrophobicContact CG1-CG 4.34Å |
| 335 | C | 96.4 | Very high | 96.8 | Very high | 42 Ų | 42 | 29.2 Ų | 29.2 | 28% | 0.284 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | -178.6 | -176.3 | 72 | 0 | 0 | 0 | 0 | 111.5 | I238 G333 V373 | I238-C335 HydrophobicContact CD1-CB 3.73Å; G333-C335 PolarHBondContact O-N 2.81Å; C335-V373 PolarHBondContact N-O 3.24Å; C335-V373 CarbonylContact O-C 3.32Å; C335-V373 VanDerWaalsContact O-CA 3.24Å; C335-V373 WeakPolarHBondContact O-CA 3.46Å; C335-V373 WeakPolarHBondContact O-CB 3.42Å |
| 336 | G | 95.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 26% | 0.258 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.9 | -171 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V338 P406 T407 | G336-V338 PolarHBondContact O-N 3.37Å; G336-P406 CarbonylContact O-C 3.55Å; G336-P406 WeakPolarHBondContact O-CA 3.44Å; G336-T407 PolarHBondContact O-N 3.28Å; G336-T407 PolarHBondContact O-OG1 2.82Å |
| 337 | N | 97.3 | Very high | 97 | Very high | 38 Ų | 38 | 24.2 Ų | 24.2 | 20% | 0.203 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.7 | -168.9 | -171.1 | -69.4 | 0 | 0 | 0 | 111.9 | R339 L340 V341 T407 | N337-R339 PolarHBondContact O-N 3.02Å; N337-R339 WeakPolarHBondContact OD1-CB 3.43Å; N337-R339 VanDerWaalsContact OD1-CG 3.26Å; N337-R339 WeakPolarHBondContact OD1-CG 3.32Å; N337-R339 PolarHBondContact OD1-N 3.36Å; N337-L340 PolarHBondContact O-N 3.45Å; N337-V341 PolarHBondContact O-N 2.9Å; N337-T407 CarbonylContact C-O 3.59Å; N337-T407 WeakPolarHBondContact CA-O 3.31Å |
| 338 | V | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -52.6 | -25.4 | 178.8 | -69.2 | 0 | 0 | 0 | 0 | 114.1 | G336 S342 P406 T407 V408 R418 E421 L422 | G336-V338 PolarHBondContact O-N 3.37Å; V338-S342 WeakPolarHBondContact O-CB 3.26Å; V338-S342 PolarHBondContact O-N 3.04Å; V338-S342 PolarHBondContact O-OG 3.49Å; V338-P406 HydrophobicContact CG1-CB 3.83Å; V338-T407 WeakPolarHBondContact CG1-O 3.33Å; V338-T407 PolarHBondContact N-O 2.9Å; V338-V408 HydrophobicContact CG2-CB 4.29Å; V338-V408 HydrophobicContact CG2-CG2 4.29Å; V338-R418 HydrophobicContact CG1-CB 4.07Å; V338-E421 HydrophobicContact CG2-CG 4.15Å; V338-L422 HydrophobicContact CB-CB 4.38Å; V338-L422 HydrophobicContact CG1-CB 4.12Å |
| 339 | R | 97.2 | Very high | 96.7 | Very high | 117 Ų | 117 | 22.7 Ų | 22.7 | 44% | 0.442 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61.6 | -50.8 | 172.9 | -67.4 | 177 | -176.6 | 167.3 | 5.6 | 111.8 | N337 S342 R343 E409 | N337-R339 PolarHBondContact O-N 3.02Å; N337-R339 WeakPolarHBondContact OD1-CB 3.43Å; N337-R339 VanDerWaalsContact OD1-CG 3.26Å; N337-R339 WeakPolarHBondContact OD1-CG 3.32Å; N337-R339 PolarHBondContact OD1-N 3.36Å; R339-S342 PolarHBondContact O-N 2.93Å; R339-S342 PolarHBondContact O-OG 2.88Å; R339-R343 PolarHBondContact O-N 3.4Å; R339-R343 VanDerWaalsContact O-N 3.14Å; R339-E409 IonicContact NH1-OE2 2.73Å |
| 340 | L | 98.1 | Very high | 96.4 | Very high | 64 Ų | 64 | 23.9 Ų | 23.9 | 34% | 0.335 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -69.2 | -40.4 | 179.7 | -62.2 | 179.8 | 0 | 0 | 0 | 111.1 | N337 S342 R343 L344 L369 V373 | N337-L340 PolarHBondContact O-N 3.45Å; L340-S342 VanDerWaalsContact C-N 3.34Å; L340-S342 PolarHBondContact O-N 2.77Å; L340-R343 WeakPolarHBondContact O-CB 3.4Å; L340-R343 PolarHBondContact O-N 3.19Å; L340-L344 PolarHBondContact O-N 3.14Å; L340-L369 HydrophobicContact CD2-CD2 4.16Å; L340-V373 HydrophobicContact CB-CG1 3.54Å |
| 341 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | V334 N337 R343 L344 Y345 V373 P406 L422 | V334-V341 HydrophobicContact CG1-CG1 3.67Å; V334-V341 HydrophobicContact CG1-CG2 4.05Å; N337-V341 PolarHBondContact O-N 2.9Å; V341-R343 VanDerWaalsContact C-N 3.32Å; V341-R343 PolarHBondContact O-N 3.39Å; V341-L344 PolarHBondContact O-N 2.86Å; V341-Y345 HydrophobicContact CG1-CD2 3.91Å; V341-Y345 HydrophobicContact CG1-CE2 3.56Å; V341-Y345 VanDerWaalsContact O-CD2 3.26Å; V341-Y345 WeakPolarHBondContact O-CD2 3.23Å; V341-Y345 PolarHBondContact O-N 3.25Å; V341-Y345 VanDerWaalsContact O-N 3.15Å; V341-V373 HydrophobicContact CG2-CB 4.02Å; V341-V373 HydrophobicContact CG2-CG1 3.86Å; V341-P406 HydrophobicContact CG2-CB 4.33Å; V341-P406 HydrophobicContact CG2-CG 4.45Å; V341-L422 HydrophobicContact CB-CD1 4Å; V341-L422 HydrophobicContact CG1-CD1 3.74Å; V341-L422 HydrophobicContact CG1-CD2 3.91Å |
| 342 | S | 98.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 177.5 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | V338 R339 L340 Y345 G346 R425 | V338-S342 WeakPolarHBondContact O-CB 3.26Å; V338-S342 PolarHBondContact O-N 3.04Å; V338-S342 PolarHBondContact O-OG 3.49Å; R339-S342 PolarHBondContact O-N 2.93Å; R339-S342 PolarHBondContact O-OG 2.88Å; L340-S342 VanDerWaalsContact C-N 3.34Å; L340-S342 PolarHBondContact O-N 2.77Å; S342-Y345 PolarHBondContact O-N 3.06Å; S342-G346 PolarHBondContact O-N 3.1Å; S342-R425 VanDerWaalsContact CB-CB 3.45Å; S342-R425 WeakPolarHBondContact OG-CB 3.46Å |
| 343 | R | 97.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 22.9 Ų | 22.9 | 25% | 0.253 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.7 | -178.4 | 60.4 | 178.4 | 175.1 | 1.5 | 111.7 | R339 L340 V341 G346 L347 E365 L369 E429 | R339-R343 PolarHBondContact O-N 3.4Å; R339-R343 VanDerWaalsContact O-N 3.14Å; L340-R343 WeakPolarHBondContact O-CB 3.4Å; L340-R343 PolarHBondContact O-N 3.19Å; V341-R343 VanDerWaalsContact C-N 3.32Å; V341-R343 PolarHBondContact O-N 3.39Å; R343-G346 PolarHBondContact O-N 3.49Å; R343-L347 HydrophobicContact CG-CD1 4.2Å; R343-L347 VanDerWaalsContact O-CG 3.31Å; R343-L347 WeakPolarHBondContact O-CG 3.27Å; R343-L347 PolarHBondContact O-N 3.34Å; R343-E365 IonicContact CZ-OE1 3.62Å; R343-E365 IonicContact CZ-OE2 3.42Å; R343-E365 IonicContact NE-OE1 3.23Å; R343-E365 PolarHBondContact NE-OE1 3.3Å; R343-E365 IonicContact NH2-OE1 3.11Å; R343-E365 PolarHBondContact NH2-OE1 3.33Å; R343-E365 VanDerWaalsContact NH2-OE1 3.11Å; R343-E365 IonicContact NH2-OE2 2.99Å; R343-E365 PolarHBondContact NH2-OE2 3.35Å; R343-L369 HydrophobicContact CB-CD1 4.25Å; R343-L369 HydrophobicContact CG-CD1 3.55Å; R343-E429 IonicContact CZ-OE2 3.93Å; R343-E429 IonicContact NH1-OE1 2.86Å; R343-E429 IonicContact NH1-OE2 3.44Å; R343-E429 PolarHBondContact NH1-OE2 3.32Å |
| 344 | L | 98.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 175 | 176.2 | 64.5 | 0 | 0 | 0 | 111.4 | L330 L340 V341 G346 L347 L348 V366 V373 V375 L380 | L330-L344 HydrophobicContact CD2-CD2 4.5Å; L340-L344 PolarHBondContact O-N 3.14Å; V341-L344 PolarHBondContact O-N 2.86Å; L344-G346 VanDerWaalsContact C-N 3.32Å; L344-G346 PolarHBondContact O-N 3.05Å; L344-L347 PolarHBondContact O-N 2.85Å; L344-L348 HydrophobicContact CD1-CD1 4.35Å; L344-L348 HydrophobicContact CD1-CG 4.37Å; L344-L348 HydrophobicContact CG-CD1 4.19Å; L344-L348 WeakPolarHBondContact O-CG 3.42Å; L344-L348 PolarHBondContact O-N 3.28Å; L344-V366 HydrophobicContact CD1-CG1 3.95Å; L344-V373 HydrophobicContact CD2-CG2 3.55Å; L344-V375 HydrophobicContact CD2-CG2 3.96Å; L344-L380 HydrophobicContact CD1-CD2 4.04Å |
| 345 | Y | 97.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 177.3 | -76.3 | -63.4 | 0 | 0 | 0 | 112.6 | L330 V341 S342 L348 A349 A402 L422 V426 F442 H512 L514 | L330-Y345 HydrophobicContact CD2-CE1 4.19Å; V341-Y345 HydrophobicContact CG1-CD2 3.91Å; V341-Y345 HydrophobicContact CG1-CE2 3.56Å; V341-Y345 VanDerWaalsContact O-CD2 3.26Å; V341-Y345 WeakPolarHBondContact O-CD2 3.23Å; V341-Y345 PolarHBondContact O-N 3.25Å; V341-Y345 VanDerWaalsContact O-N 3.15Å; S342-Y345 PolarHBondContact O-N 3.06Å; Y345-L348 PolarHBondContact O-N 3.24Å; Y345-A349 WeakPolarHBondContact O-CB 3.34Å; Y345-A349 PolarHBondContact O-N 3.3Å; Y345-A402 WeakPolarHBondContact OH-CB 3.4Å; Y345-L422 HydrophobicContact CD2-CD1 4.5Å; Y345-L422 HydrophobicContact CE2-CD2 4.47Å; Y345-V426 HydrophobicContact CD2-CG2 4.27Å; Y345-V426 HydrophobicContact CG-CG2 4.44Å; Y345-F442 HydrophobicContact CD1-CD2 4.28Å; Y345-F442 AromaticContact CD1-CE2 3.76Å; Y345-F442 HydrophobicContact CD1-CE2 3.76Å; Y345-F442 AromaticContact CD2-CE2 3.7Å; Y345-F442 HydrophobicContact CD2-CE2 3.7Å; Y345-F442 AromaticContact CD2-CZ 3.9Å; Y345-F442 HydrophobicContact CD2-CZ 3.9Å; Y345-F442 AromaticContact CE1-CE2 3.86Å; Y345-F442 HydrophobicContact CE1-CE2 3.86Å; Y345-F442 AromaticContact CE2-CE2 3.79Å; Y345-F442 HydrophobicContact CE2-CE2 3.79Å; Y345-F442 AromaticContact CE2-CZ 3.91Å; Y345-F442 HydrophobicContact CE2-CZ 3.91Å; Y345-F442 HydrophobicContact CG-CD2 4.3Å; Y345-F442 AromaticContact CG-CE2 3.7Å; Y345-F442 HydrophobicContact CG-CE2 3.7Å; Y345-F442 HydrophobicContact CG-CZ 4.34Å; Y345-F442 AromaticContact CZ-CE2 3.88Å; Y345-H512 HydrophobicContact CE2-CB 4.48Å; Y345-H512 AromaticContact CE2-ND1 3.68Å; Y345-H512 AromaticContact CZ-ND1 3.64Å; Y345-H512 VanDerWaalsContact OH-CB 3.31Å; Y345-H512 WeakPolarHBondContact OH-CB 3.22Å; Y345-H512 PolarHBondContact OH-ND1 3.27Å; Y345-L514 HydrophobicContact CD1-CD2 4.27Å |
| 346 | G | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.9 | -54.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S342 R343 L344 L348 A349 R350 | S342-G346 PolarHBondContact O-N 3.1Å; R343-G346 PolarHBondContact O-N 3.49Å; L344-G346 VanDerWaalsContact C-N 3.32Å; L344-G346 PolarHBondContact O-N 3.05Å; G346-L348 PolarHBondContact O-N 2.87Å; G346-A349 PolarHBondContact O-N 2.77Å; G346-R350 WeakPolarHBondContact O-CG 3.43Å; G346-R350 PolarHBondContact O-N 2.99Å |
| 347 | L | 95.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 179.4 | -68.3 | 166.6 | 0 | 0 | 0 | 112.9 | R343 L344 R350 F351 I362 E365 V366 L369 | R343-L347 HydrophobicContact CG-CD1 4.2Å; R343-L347 VanDerWaalsContact O-CG 3.31Å; R343-L347 WeakPolarHBondContact O-CG 3.27Å; R343-L347 PolarHBondContact O-N 3.34Å; L344-L347 PolarHBondContact O-N 2.85Å; L347-R350 PolarHBondContact O-N 2.93Å; L347-F351 WeakPolarHBondContact O-CB 3.44Å; L347-F351 PolarHBondContact O-N 2.84Å; L347-I362 HydrophobicContact CB-CG2 4.45Å; L347-I362 HydrophobicContact CD2-CG2 4.18Å; L347-E365 HydrophobicContact CD1-CB 3.91Å; L347-E365 HydrophobicContact CD1-CG 3.63Å; L347-V366 HydrophobicContact CB-CG2 3.54Å; L347-V366 HydrophobicContact CD1-CG2 4.17Å; L347-V366 HydrophobicContact CG-CG2 4.45Å; L347-L369 HydrophobicContact CD1-CD1 3.7Å |
| 348 | L | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.2 | -71.7 | 173.2 | 0 | 0 | 0 | 111.5 | L330 L344 Y345 G346 F351 A352 V366 T383 M384 L387 L514 | L330-L348 HydrophobicContact CD1-CD1 4.4Å; L330-L348 HydrophobicContact CD2-CD1 3.81Å; L344-L348 HydrophobicContact CD1-CD1 4.35Å; L344-L348 HydrophobicContact CD1-CG 4.37Å; L344-L348 HydrophobicContact CG-CD1 4.19Å; L344-L348 WeakPolarHBondContact O-CG 3.42Å; L344-L348 PolarHBondContact O-N 3.28Å; Y345-L348 PolarHBondContact O-N 3.24Å; G346-L348 PolarHBondContact O-N 2.87Å; L348-F351 PolarHBondContact O-N 2.8Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 2.76Å; L348-V366 HydrophobicContact CD2-CG1 4.09Å; L348-T383 HydrophobicContact CD2-CG2 4.37Å; L348-M384 HydrophobicContact CD2-CG 4.36Å; L348-L387 HydrophobicContact CD2-CD1 4.25Å; L348-L514 HydrophobicContact CB-CD2 4.47Å |
| 349 | A | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y345 G346 A352 C353 L430 L433 P440 L514 | Y345-A349 WeakPolarHBondContact O-CB 3.34Å; Y345-A349 PolarHBondContact O-N 3.3Å; G346-A349 PolarHBondContact O-N 2.77Å; A349-A352 PolarHBondContact O-N 2.83Å; A349-C353 VanDerWaalsContact O-CB 3.29Å; A349-C353 WeakPolarHBondContact O-CB 3.28Å; A349-C353 PolarHBondContact O-N 2.96Å; A349-C353 PolarHBondContact O-SG 3.49Å; A349-C353 VanDerWaalsContact O-SG 3.39Å; A349-L430 HydrophobicContact CB-CD2 3.39Å; A349-L433 HydrophobicContact CB-CD1 4.41Å; A349-P440 HydrophobicContact CB-CG 4.44Å; A349-L514 HydrophobicContact CB-CD2 4.41Å |
| 350 | R | 90 | Very high | 90.3 | Very high | 79 Ų | 79 | 46 Ų | 46 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 173.9 | -48.3 | -144 | 170.7 | -177.9 | -9.7 | 111 | G346 L347 A352 C353 S354 I362 E429 L433 | G346-R350 WeakPolarHBondContact O-CG 3.43Å; G346-R350 PolarHBondContact O-N 2.99Å; L347-R350 PolarHBondContact O-N 2.93Å; R350-A352 VanDerWaalsContact C-N 3.28Å; R350-A352 PolarHBondContact O-N 2.73Å; R350-C353 PolarHBondContact O-N 2.91Å; R350-S354 PolarHBondContact O-N 3.27Å; R350-S354 VanDerWaalsContact O-N 3.08Å; R350-S354 PolarHBondContact O-OG 3.27Å; R350-I362 HydrophobicContact CB-CD1 4.33Å; R350-E429 PolarHBondContact NH2-O 2.95Å; R350-L433 HydrophobicContact CB-CD2 4.03Å; R350-L433 HydrophobicContact CG-CD1 4.4Å; R350-L433 HydrophobicContact CG-CD2 3.54Å |
| 351 | F | 90.5 | Very high | 90.1 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -41.3 | -179.9 | -176.2 | -83.7 | 0 | 0 | 0 | 111.8 | L347 L348 P358 I362 A363 M384 L387 R391 | L347-F351 WeakPolarHBondContact O-CB 3.44Å; L347-F351 PolarHBondContact O-N 2.84Å; L348-F351 PolarHBondContact O-N 2.8Å; F351-P358 HydrophobicContact CD2-CB 4.19Å; F351-P358 HydrophobicContact CD2-CG 3.35Å; F351-P358 HydrophobicContact CE2-CG 3.51Å; F351-P358 HydrophobicContact CG-CG 4.01Å; F351-P358 HydrophobicContact CZ-CG 4.27Å; F351-I362 HydrophobicContact CB-CG2 4.19Å; F351-I362 HydrophobicContact CD2-CG2 4.42Å; F351-A363 HydrophobicContact CE2-CB 4.44Å; F351-M384 HydrophobicContact CE1-CB 4.06Å; F351-M384 HydrophobicContact CE1-CG 4.46Å; F351-M384 VanDerWaalsContact CE1-O 3.24Å; F351-M384 WeakPolarHBondContact CE1-O 3.49Å; F351-M384 HydrophobicContact CZ-CB 4.07Å; F351-L387 HydrophobicContact CD1-CB 3.98Å; F351-L387 HydrophobicContact CD1-CD1 4.46Å; F351-L387 HydrophobicContact CE1-CB 4.09Å; F351-R391 PolarHBondContact O-NH1 3Å |
| 352 | A | 88.3 | Confident | 89.8 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.3 | -41.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L348 A349 R350 L387 W395 I516 | L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 2.76Å; A349-A352 PolarHBondContact O-N 2.83Å; R350-A352 VanDerWaalsContact C-N 3.28Å; R350-A352 PolarHBondContact O-N 2.73Å; A352-L387 HydrophobicContact CB-CB 4.33Å; A352-L387 HydrophobicContact CB-CD1 4.26Å; A352-L387 HydrophobicContact CB-CD2 3.87Å; A352-L387 HydrophobicContact CB-CG 4.37Å; A352-W395 PolarHBondContact O-NE1 3.4Å; A352-I516 HydrophobicContact CB-CD1 4.15Å; A352-I516 HydrophobicContact CB-CG1 4.04Å; A352-I516 HydrophobicContact CB-CG2 4.11Å |
| 353 | C | 84.2 | Confident | 89.6 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -88.5 | -12.1 | -172.8 | -64.4 | 0 | 0 | 0 | 0 | 114.4 | A349 R350 R355 L435 | A349-C353 VanDerWaalsContact O-CB 3.29Å; A349-C353 WeakPolarHBondContact O-CB 3.28Å; A349-C353 PolarHBondContact O-N 2.96Å; A349-C353 PolarHBondContact O-SG 3.49Å; A349-C353 VanDerWaalsContact O-SG 3.39Å; R350-C353 PolarHBondContact O-N 2.91Å; C353-R355 PolarHBondContact O-N 2.5Å; C353-L435 HydrophobicContact CB-CD2 4Å |
| 354 | S | 80.4 | Confident | 89.5 | Confident | 36 Ų | 36 | 50.9 Ų | 50.9 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | trans | -57.7 | 133.6 | 176.3 | -73.6 | 0 | 0 | 0 | 0 | 111.7 | R350 E356 R391 W395 | R350-S354 PolarHBondContact O-N 3.27Å; R350-S354 VanDerWaalsContact O-N 3.08Å; R350-S354 PolarHBondContact O-OG 3.27Å; S354-E356 WeakPolarHBondContact CB-O 3.2Å; S354-R391 VanDerWaalsContact O-CD 3.22Å; S354-R391 WeakPolarHBondContact O-CD 3.38Å; S354-W395 WeakPolarHBondContact O-CZ2 3.35Å | ||
| 355 | R | 75.1 | Confident | 89.4 | Confident | 168 Ų | 168 | 53.4 Ų | 53.4 | 63% | 0.634 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66.6 | -41.5 | 175.3 | -75.3 | -174.4 | 176.6 | 177.4 | 4.9 | 112.9 | C353 W395 | C353-R355 PolarHBondContact O-N 2.5Å; R355-W395 HydrophobicContact CB-CH2 4.34Å; R355-W395 HydrophobicContact CG-CH2 4.22Å |
| 356 | E | 78.8 | Confident | 89.4 | Confident | 164 Ų | 164 | 53.3 Ų | 53.3 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -99.7 | 172.2 | 177.5 | -63.1 | -177.9 | 177.2 | 0 | 0 | 110 | S354 P358 | S354-E356 WeakPolarHBondContact CB-O 3.2Å; E356-P358 WeakPolarHBondContact O-CD 3.48Å |
| 357 | E | 81.9 | Confident | 89.5 | Confident | 168 Ų | 168 | 56.3 Ų | 56.3 | 79% | 0.785 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 122.4 | 171.8 | -170.5 | 160.9 | -153.5 | 0 | 0 | 109.5 | ||
| 358 | P | 83.3 | Confident | 89.5 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.065 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 147.2 | -176.9 | 24.5 | -31.9 | 0 | 0 | 0 | 109.9 | F351 E356 I362 | F351-P358 HydrophobicContact CD2-CB 4.19Å; F351-P358 HydrophobicContact CD2-CG 3.35Å; F351-P358 HydrophobicContact CE2-CG 3.51Å; F351-P358 HydrophobicContact CG-CG 4.01Å; F351-P358 HydrophobicContact CZ-CG 4.27Å; E356-P358 WeakPolarHBondContact O-CD 3.48Å; P358-I362 HydrophobicContact CB-CD1 4.04Å |
| 359 | P | 86.9 | Confident | 89.6 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 140.2 | 176.5 | -24.7 | 32.7 | 0 | 0 | 0 | 111.6 | E361 I362 | P359-E361 WeakPolarHBondContact CB-OE2 3.35Å; P359-E361 PolarHBondContact O-N 3.45Å; P359-I362 PolarHBondContact O-N 2.77Å |
| 360 | P | 90.8 | Very high | 89.8 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 66% | 0.656 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -53.9 | -25.5 | -179 | -26.7 | 34.5 | 0 | 0 | 0 | 114.1 | I362 A363 A364 | P360-I362 VanDerWaalsContact C-N 3.27Å; P360-I362 PolarHBondContact O-N 3.16Å; P360-A363 PolarHBondContact O-N 3.37Å; P360-A364 PolarHBondContact O-N 2.82Å |
| 361 | E | 93.4 | Very high | 90.1 | Very high | 130 Ų | 130 | 62.3 Ų | 62.3 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.6 | -34.4 | 177.4 | -61.4 | 75.7 | -166.1 | 0 | 0 | 112.3 | P359 A364 E365 | P359-E361 WeakPolarHBondContact CB-OE2 3.35Å; P359-E361 PolarHBondContact O-N 3.45Å; E361-A364 PolarHBondContact O-N 3.16Å; E361-E365 WeakPolarHBondContact O-CB 3.46Å; E361-E365 PolarHBondContact O-N 3.4Å |
| 362 | I | 92.6 | Very high | 90.4 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.138 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -49 | 177.1 | -63.7 | -176.3 | 0 | 0 | 0 | 109.7 | L347 R350 F351 P358 P359 P360 A364 E365 V366 | L347-I362 HydrophobicContact CB-CG2 4.45Å; L347-I362 HydrophobicContact CD2-CG2 4.18Å; R350-I362 HydrophobicContact CB-CD1 4.33Å; F351-I362 HydrophobicContact CB-CG2 4.19Å; F351-I362 HydrophobicContact CD2-CG2 4.42Å; P358-I362 HydrophobicContact CB-CD1 4.04Å; P359-I362 PolarHBondContact O-N 2.77Å; P360-I362 VanDerWaalsContact C-N 3.27Å; P360-I362 PolarHBondContact O-N 3.16Å; I362-A364 VanDerWaalsContact C-N 3.32Å; I362-A364 PolarHBondContact O-N 3.44Å; I362-E365 PolarHBondContact O-N 2.98Å; I362-V366 WeakPolarHBondContact O-CG2 3.48Å; I362-V366 PolarHBondContact O-N 3.46Å |
| 363 | A | 93.6 | Very high | 90.8 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 21% | 0.207 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F351 P360 V366 L367 M384 | F351-A363 HydrophobicContact CE2-CB 4.44Å; P360-A363 PolarHBondContact O-N 3.37Å; A363-V366 PolarHBondContact O-N 2.75Å; A363-L367 WeakPolarHBondContact O-CG 3.36Å; A363-L367 PolarHBondContact O-N 3.22Å; A363-M384 HydrophobicContact CB-SD 4.08Å |
| 364 | A | 95.6 | Very high | 91.3 | Very high | 58 Ų | 58 | 66.9 Ų | 66.9 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P360 E361 I362 L367 R368 | P360-A364 PolarHBondContact O-N 2.82Å; E361-A364 PolarHBondContact O-N 3.16Å; I362-A364 VanDerWaalsContact C-N 3.32Å; I362-A364 PolarHBondContact O-N 3.44Å; A364-L367 PolarHBondContact O-N 3.21Å; A364-R368 WeakPolarHBondContact O-CB 3.32Å; A364-R368 PolarHBondContact O-N 3.06Å |
| 365 | E | 96.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 65.2 Ų | 65.2 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 177.4 | -163.8 | -177.2 | 163.9 | 0 | 0 | 111.6 | R343 L347 E361 I362 R368 L369 | R343-E365 IonicContact CZ-OE1 3.62Å; R343-E365 IonicContact CZ-OE2 3.42Å; R343-E365 IonicContact NE-OE1 3.23Å; R343-E365 PolarHBondContact NE-OE1 3.3Å; R343-E365 IonicContact NH2-OE1 3.11Å; R343-E365 PolarHBondContact NH2-OE1 3.33Å; R343-E365 VanDerWaalsContact NH2-OE1 3.11Å; R343-E365 IonicContact NH2-OE2 2.99Å; R343-E365 PolarHBondContact NH2-OE2 3.35Å; L347-E365 HydrophobicContact CD1-CB 3.91Å; L347-E365 HydrophobicContact CD1-CG 3.63Å; E361-E365 WeakPolarHBondContact O-CB 3.46Å; E361-E365 PolarHBondContact O-N 3.4Å; I362-E365 PolarHBondContact O-N 2.98Å; E365-R368 PolarHBondContact O-N 3.43Å; E365-L369 HydrophobicContact CG-CD1 3.95Å; E365-L369 HydrophobicContact CG-CG 4.41Å; E365-L369 WeakPolarHBondContact O-CB 3.48Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 3.46Å |
| 366 | V | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.5 | -49.6 | 173.2 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | L344 L347 L348 I362 A363 R368 L369 G370 L380 M384 | L344-V366 HydrophobicContact CD1-CG1 3.95Å; L347-V366 HydrophobicContact CB-CG2 3.54Å; L347-V366 HydrophobicContact CD1-CG2 4.17Å; L347-V366 HydrophobicContact CG-CG2 4.45Å; L348-V366 HydrophobicContact CD2-CG1 4.09Å; I362-V366 WeakPolarHBondContact O-CG2 3.48Å; I362-V366 PolarHBondContact O-N 3.46Å; A363-V366 PolarHBondContact O-N 2.75Å; V366-R368 VanDerWaalsContact C-N 3.29Å; V366-R368 PolarHBondContact O-N 2.95Å; V366-L369 PolarHBondContact O-N 2.85Å; V366-G370 PolarHBondContact O-N 3.09Å; V366-L380 HydrophobicContact CG1-CB 4.37Å; V366-L380 HydrophobicContact CG1-CD2 3.84Å; V366-M384 HydrophobicContact CB-SD 4.05Å; V366-M384 HydrophobicContact CG1-CE 4.34Å; V366-M384 HydrophobicContact CG1-CG 4.4Å; V366-M384 HydrophobicContact CG1-SD 3.77Å |
| 367 | L | 96.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -29.7 | -179.6 | -69.8 | 172.7 | 0 | 0 | 0 | 113.3 | A363 A364 P371 L380 M384 | A363-L367 WeakPolarHBondContact O-CG 3.36Å; A363-L367 PolarHBondContact O-N 3.22Å; A364-L367 PolarHBondContact O-N 3.21Å; L367-P371 VanDerWaalsContact O-CD 3.26Å; L367-P371 WeakPolarHBondContact O-CD 3.44Å; L367-L380 HydrophobicContact CD2-CB 3.94Å; L367-L380 HydrophobicContact CD2-CD1 4.26Å; L367-M384 HydrophobicContact CD1-CE 4.27Å; L367-M384 HydrophobicContact CD2-CE 3.75Å; L367-M384 HydrophobicContact CG-CE 3.84Å |
| 368 | R | 97 | Very high | 94.6 | Very high | 135 Ų | 135 | 55.7 Ų | 55.7 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.6 | -46.7 | 174.2 | -171.4 | -170.3 | 68.7 | 76.6 | -2.2 | 111.6 | A364 E365 V366 E372 | A364-R368 WeakPolarHBondContact O-CB 3.32Å; A364-R368 PolarHBondContact O-N 3.06Å; E365-R368 PolarHBondContact O-N 3.43Å; V366-R368 VanDerWaalsContact C-N 3.29Å; V366-R368 PolarHBondContact O-N 2.95Å; R368-E372 IonicContact CZ-OE1 3.93Å; R368-E372 IonicContact NH1-OE1 2.79Å; R368-E372 PolarHBondContact NH1-OE1 3.49Å |
| 369 | L | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -76.6 | -36.2 | -173.8 | -77.5 | 174.4 | 0 | 0 | 0 | 113.5 | L340 R343 L347 E365 V366 E372 V373 | L340-L369 HydrophobicContact CD2-CD2 4.16Å; R343-L369 HydrophobicContact CB-CD1 4.25Å; R343-L369 HydrophobicContact CG-CD1 3.55Å; L347-L369 HydrophobicContact CD1-CD1 3.7Å; E365-L369 HydrophobicContact CG-CD1 3.95Å; E365-L369 HydrophobicContact CG-CG 4.41Å; E365-L369 WeakPolarHBondContact O-CB 3.48Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 3.46Å; V366-L369 PolarHBondContact O-N 2.85Å; L369-E372 WeakPolarHBondContact O-CB 3.36Å; L369-E372 PolarHBondContact O-N 3.34Å; L369-V373 PolarHBondContact O-N 2.88Å |
| 370 | G | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -53.7 | -47.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V366 E372 V373 G374 V375 | V366-G370 PolarHBondContact O-N 3.09Å; G370-E372 VanDerWaalsContact C-N 3.27Å; G370-E372 PolarHBondContact O-N 3.1Å; G370-V373 CarbonylContact O-C 3.5Å; G370-V373 VanDerWaalsContact O-CG2 3.29Å; G370-V373 WeakPolarHBondContact O-CG2 3.29Å; G370-V373 PolarHBondContact O-N 3.45Å; G370-G374 PolarHBondContact O-N 3.19Å; G370-V375 CarbonylContact C-O 3.48Å; G370-V375 PolarHBondContact O-N 2.79Å |
| 371 | P | 96.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -62 | -30.2 | 176.1 | -26.3 | 36.4 | 0 | 0 | 0 | 114.2 | L367 V373 G374 V375 | L367-P371 VanDerWaalsContact O-CD 3.26Å; L367-P371 WeakPolarHBondContact O-CD 3.44Å; P371-V373 PolarHBondContact O-N 3.36Å; P371-G374 PolarHBondContact O-N 2.93Å; P371-V375 WeakPolarHBondContact CA-O 3.44Å |
| 372 | E | 96.3 | Very high | 96.1 | Very high | 94 Ų | 94 | 50.9 Ų | 50.9 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -67.7 | -20.8 | 176.2 | -61.6 | -179.3 | -151.9 | 0 | 0 | 112.3 | R368 L369 G370 | R368-E372 IonicContact CZ-OE1 3.93Å; R368-E372 IonicContact NH1-OE1 2.79Å; R368-E372 PolarHBondContact NH1-OE1 3.49Å; L369-E372 WeakPolarHBondContact O-CB 3.36Å; L369-E372 PolarHBondContact O-N 3.34Å; G370-E372 VanDerWaalsContact C-N 3.27Å; G370-E372 PolarHBondContact O-N 3.1Å |
| 373 | V | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -116.6 | 23.4 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 113.2 | V334 C335 L340 V341 L344 L369 G370 P371 V375 | V334-V373 CarbonylContact C-O 3.11Å; V334-V373 WeakPolarHBondContact CA-O 3.15Å; C335-V373 PolarHBondContact N-O 3.24Å; C335-V373 CarbonylContact O-C 3.32Å; C335-V373 VanDerWaalsContact O-CA 3.24Å; C335-V373 WeakPolarHBondContact O-CA 3.46Å; C335-V373 WeakPolarHBondContact O-CB 3.42Å; L340-V373 HydrophobicContact CB-CG1 3.54Å; V341-V373 HydrophobicContact CG2-CB 4.02Å; V341-V373 HydrophobicContact CG2-CG1 3.86Å; L344-V373 HydrophobicContact CD2-CG2 3.55Å; L369-V373 PolarHBondContact O-N 2.88Å; G370-V373 CarbonylContact O-C 3.5Å; G370-V373 VanDerWaalsContact O-CG2 3.29Å; G370-V373 WeakPolarHBondContact O-CG2 3.29Å; G370-V373 PolarHBondContact O-N 3.45Å; P371-V373 PolarHBondContact O-N 3.36Å; V373-V375 HydrophobicContact CG2-CG2 4.26Å; V373-V375 PolarHBondContact O-N 3.39Å |
| 374 | G | 94.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 21.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S331 G370 P371 | S331-G374 PolarHBondContact OG-O 3.02Å; G370-G374 PolarHBondContact O-N 3.19Å; P371-G374 PolarHBondContact O-N 2.93Å |
| 375 | V | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | trans | -107.2 | 124 | 173.2 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | L330 V334 L344 G370 P371 V373 D379 L380 | L330-V375 HydrophobicContact CD1-CG1 3.74Å; L330-V375 HydrophobicContact CG-CG1 3.94Å; L330-V375 HydrophobicContact CG-CG2 4.4Å; V334-V375 HydrophobicContact CG2-CG2 4.01Å; L344-V375 HydrophobicContact CD2-CG2 3.96Å; G370-V375 CarbonylContact C-O 3.48Å; G370-V375 PolarHBondContact O-N 2.79Å; P371-V375 WeakPolarHBondContact CA-O 3.44Å; V373-V375 HydrophobicContact CG2-CG2 4.26Å; V373-V375 PolarHBondContact O-N 3.39Å; V375-D379 HydrophobicContact CG1-CB 4.1Å; V375-L380 HydrophobicContact CB-CD2 4.18Å; V375-L380 HydrophobicContact CB-CG 4.45Å; V375-L380 HydrophobicContact CG1-CD2 3.58Å; V375-L380 HydrophobicContact CG1-CG 3.77Å | ||
| 376 | E | 96.3 | Very high | 96.1 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | trans | -70.7 | 146.1 | -177.9 | -56.3 | -163.6 | 114.6 | 0 | 0 | 111.2 | W378 D379 L380 | E376-W378 HydrophobicContact CB-CG 4.42Å; E376-W378 PolarHBondContact O-N 3.3Å; E376-W378 VanDerWaalsContact O-N 3.16Å; E376-W378 PolarHBondContact OE2-NE1 3.47Å; E376-D379 WeakPolarHBondContact O-CB 3.34Å; E376-D379 PolarHBondContact O-N 2.89Å; E376-D379 VanDerWaalsContact O-N 3.07Å; E376-L380 PolarHBondContact O-N 3.22Å; E376-L380 VanDerWaalsContact O-N 3.16Å | ||
| 377 | S | 95.6 | Very high | 95.8 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 43% | 0.434 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.8 | -31.4 | -176.9 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | L380 C381 | S377-L380 PolarHBondContact O-N 3.41Å; S377-C381 PolarHBondContact O-N 3.49Å; S377-C381 PolarHBondContact O-SG 3.14Å; S377-C381 VanDerWaalsContact O-SG 3.33Å |
| 378 | W | 95.4 | Very high | 95.4 | Very high | 125 Ų | 125 | 48.3 Ų | 48.3 | 47% | 0.473 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71.1 | -35.4 | 178.2 | 69.7 | -94.5 | 0 | 0 | 0 | 112.1 | E376 C381 R382 | E376-W378 HydrophobicContact CB-CG 4.42Å; E376-W378 PolarHBondContact O-N 3.3Å; E376-W378 VanDerWaalsContact O-N 3.16Å; E376-W378 PolarHBondContact OE2-NE1 3.47Å; W378-C381 PolarHBondContact O-N 2.88Å; W378-R382 WeakPolarHBondContact O-CB 3.31Å; W378-R382 PolarHBondContact O-N 2.87Å |
| 379 | D | 96.7 | Very high | 95 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 174.2 | -82.7 | -50.2 | 0 | 0 | 0 | 111.5 | L330 V375 E376 R382 T383 | L330-D379 WeakPolarHBondContact O-CB 3.29Å; L330-D379 VanDerWaalsContact O-CG 3.27Å; V375-D379 HydrophobicContact CG1-CB 4.1Å; E376-D379 WeakPolarHBondContact O-CB 3.34Å; E376-D379 PolarHBondContact O-N 2.89Å; E376-D379 VanDerWaalsContact O-N 3.07Å; D379-R382 PolarHBondContact O-N 2.77Å; D379-T383 VanDerWaalsContact O-CB 3.31Å; D379-T383 WeakPolarHBondContact O-CB 3.32Å; D379-T383 PolarHBondContact O-N 3.26Å; D379-T383 PolarHBondContact O-OG1 2.98Å |
| 380 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 174.8 | -62.6 | 165.5 | 0 | 0 | 0 | 110.9 | L330 L344 V366 L367 V375 E376 S377 R382 T383 M384 | L330-L380 HydrophobicContact CD1-CD2 4.11Å; L344-L380 HydrophobicContact CD1-CD2 4.04Å; V366-L380 HydrophobicContact CG1-CB 4.37Å; V366-L380 HydrophobicContact CG1-CD2 3.84Å; L367-L380 HydrophobicContact CD2-CB 3.94Å; L367-L380 HydrophobicContact CD2-CD1 4.26Å; V375-L380 HydrophobicContact CB-CD2 4.18Å; V375-L380 HydrophobicContact CB-CG 4.45Å; V375-L380 HydrophobicContact CG1-CD2 3.58Å; V375-L380 HydrophobicContact CG1-CG 3.77Å; E376-L380 PolarHBondContact O-N 3.22Å; E376-L380 VanDerWaalsContact O-N 3.16Å; S377-L380 PolarHBondContact O-N 3.41Å; L380-R382 VanDerWaalsContact C-N 3.35Å; L380-R382 PolarHBondContact O-N 3.39Å; L380-T383 PolarHBondContact O-N 3.17Å; L380-M384 WeakPolarHBondContact O-CB 3.02Å; L380-M384 WeakPolarHBondContact O-CG 3.36Å; L380-M384 PolarHBondContact O-N 2.92Å |
| 381 | C | 96 | Very high | 93.6 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 43% | 0.426 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 177.8 | -74 | 0 | 0 | 0 | 0 | 111.5 | S377 W378 T383 M384 Q385 | S377-C381 PolarHBondContact O-N 3.49Å; S377-C381 PolarHBondContact O-SG 3.14Å; S377-C381 VanDerWaalsContact O-SG 3.33Å; W378-C381 PolarHBondContact O-N 2.88Å; C381-T383 VanDerWaalsContact C-N 3.34Å; C381-T383 PolarHBondContact O-N 3.37Å; C381-M384 PolarHBondContact O-N 3.25Å; C381-Q385 WeakPolarHBondContact O-CB 3.49Å; C381-Q385 PolarHBondContact O-N 3.2Å |
| 382 | R | 96.4 | Very high | 92.6 | Very high | 136 Ų | 136 | 48.6 Ų | 48.6 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.1 | -179.7 | -169.8 | -70.6 | -179.4 | 0.7 | 111 | W378 D379 L380 Q385 V386 | W378-R382 WeakPolarHBondContact O-CB 3.31Å; W378-R382 PolarHBondContact O-N 2.87Å; D379-R382 PolarHBondContact O-N 2.77Å; L380-R382 VanDerWaalsContact C-N 3.35Å; L380-R382 PolarHBondContact O-N 3.39Å; R382-Q385 PolarHBondContact O-N 3.16Å; R382-V386 WeakPolarHBondContact O-CG2 3.36Å; R382-V386 PolarHBondContact O-N 2.82Å; R382-V386 VanDerWaalsContact O-N 3.07Å |
| 383 | T | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | -179.3 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | V328 L330 L348 D379 L380 C381 Q385 V386 L387 V400 | V328-T383 HydrophobicContact CG1-CG2 4.05Å; L330-T383 HydrophobicContact CD1-CG2 4.18Å; L330-T383 WeakPolarHBondContact CD1-OG1 3.23Å; L348-T383 HydrophobicContact CD2-CG2 4.37Å; D379-T383 VanDerWaalsContact O-CB 3.31Å; D379-T383 WeakPolarHBondContact O-CB 3.32Å; D379-T383 PolarHBondContact O-N 3.26Å; D379-T383 PolarHBondContact O-OG1 2.98Å; L380-T383 PolarHBondContact O-N 3.17Å; C381-T383 VanDerWaalsContact C-N 3.34Å; C381-T383 PolarHBondContact O-N 3.37Å; T383-Q385 VanDerWaalsContact C-N 3.3Å; T383-Q385 PolarHBondContact O-N 2.74Å; T383-V386 PolarHBondContact O-N 3.49Å; T383-L387 HydrophobicContact CG2-CD1 3.89Å; T383-L387 HydrophobicContact CG2-CG 4.34Å; T383-L387 VanDerWaalsContact O-CG 3.28Å; T383-L387 WeakPolarHBondContact O-CG 3.21Å; T383-L387 PolarHBondContact O-N 3.17Å; T383-V400 HydrophobicContact CG2-CG1 4.21Å; T383-V400 HydrophobicContact CG2-CG2 4.23Å |
| 384 | M | 94.8 | Very high | 89.7 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -35.9 | 177.1 | -70.5 | -173.1 | -63.1 | 0 | 0 | 112.4 | L348 F351 A363 V366 L367 L380 C381 L387 G388 | L348-M384 HydrophobicContact CD2-CG 4.36Å; F351-M384 HydrophobicContact CE1-CB 4.06Å; F351-M384 HydrophobicContact CE1-CG 4.46Å; F351-M384 VanDerWaalsContact CE1-O 3.24Å; F351-M384 WeakPolarHBondContact CE1-O 3.49Å; F351-M384 HydrophobicContact CZ-CB 4.07Å; A363-M384 HydrophobicContact CB-SD 4.08Å; V366-M384 HydrophobicContact CB-SD 4.05Å; V366-M384 HydrophobicContact CG1-CE 4.34Å; V366-M384 HydrophobicContact CG1-CG 4.4Å; V366-M384 HydrophobicContact CG1-SD 3.77Å; L367-M384 HydrophobicContact CD1-CE 4.27Å; L367-M384 HydrophobicContact CD2-CE 3.75Å; L367-M384 HydrophobicContact CG-CE 3.84Å; L380-M384 WeakPolarHBondContact O-CB 3.02Å; L380-M384 WeakPolarHBondContact O-CG 3.36Å; L380-M384 PolarHBondContact O-N 2.92Å; C381-M384 PolarHBondContact O-N 3.25Å; M384-L387 PolarHBondContact O-N 3.02Å; M384-G388 PolarHBondContact O-N 3.13Å |
| 385 | Q | 93.8 | Very high | 88.2 | Confident | 120 Ų | 120 | 52.6 Ų | 52.6 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.1 | -50.5 | 174 | -178.3 | -174.7 | -14.1 | 0 | 0 | 110.8 | C381 R382 T383 L387 G388 E389 | C381-Q385 WeakPolarHBondContact O-CB 3.49Å; C381-Q385 PolarHBondContact O-N 3.2Å; R382-Q385 PolarHBondContact O-N 3.16Å; T383-Q385 VanDerWaalsContact C-N 3.3Å; T383-Q385 PolarHBondContact O-N 2.74Å; Q385-L387 PolarHBondContact O-N 3.34Å; Q385-G388 PolarHBondContact O-N 3.42Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.49Å; Q385-E389 PolarHBondContact NE2-OE1 3.04Å; Q385-E389 WeakPolarHBondContact O-CG 3.27Å; Q385-E389 PolarHBondContact O-N 2.93Å |
| 386 | V | 92.8 | Very high | 86.8 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 178.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | R326 V328 R382 T383 G388 E389 E390 | R326-V386 HydrophobicContact CG-CG1 4.43Å; V328-V386 HydrophobicContact CG2-CB 3.92Å; V328-V386 HydrophobicContact CG2-CG1 3.44Å; V328-V386 VanDerWaalsContact CG2-CG1 3.44Å; V328-V386 HydrophobicContact CG2-CG2 4.25Å; R382-V386 WeakPolarHBondContact O-CG2 3.36Å; R382-V386 PolarHBondContact O-N 2.82Å; R382-V386 VanDerWaalsContact O-N 3.07Å; T383-V386 PolarHBondContact O-N 3.49Å; V386-G388 PolarHBondContact O-N 3.18Å; V386-E389 PolarHBondContact O-N 2.87Å; V386-E390 HydrophobicContact CG1-CG 4.27Å; V386-E390 WeakPolarHBondContact O-CB 3.48Å; V386-E390 VanDerWaalsContact O-CG 3.27Å; V386-E390 WeakPolarHBondContact O-CG 3.28Å; V386-E390 PolarHBondContact O-N 3.09Å |
| 387 | L | 91.1 | Very high | 86.3 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -35.7 | 177.2 | -66.2 | 173.3 | 0 | 0 | 0 | 111.9 | L348 F351 A352 T383 M384 Q385 R391 T398 V400 I516 | L348-L387 HydrophobicContact CD2-CD1 4.25Å; F351-L387 HydrophobicContact CD1-CB 3.98Å; F351-L387 HydrophobicContact CD1-CD1 4.46Å; F351-L387 HydrophobicContact CE1-CB 4.09Å; A352-L387 HydrophobicContact CB-CB 4.33Å; A352-L387 HydrophobicContact CB-CD1 4.26Å; A352-L387 HydrophobicContact CB-CD2 3.87Å; A352-L387 HydrophobicContact CB-CG 4.37Å; T383-L387 HydrophobicContact CG2-CD1 3.89Å; T383-L387 HydrophobicContact CG2-CG 4.34Å; T383-L387 VanDerWaalsContact O-CG 3.28Å; T383-L387 WeakPolarHBondContact O-CG 3.21Å; T383-L387 PolarHBondContact O-N 3.17Å; M384-L387 PolarHBondContact O-N 3.02Å; Q385-L387 PolarHBondContact O-N 3.34Å; L387-R391 VanDerWaalsContact O-CB 3.28Å; L387-R391 WeakPolarHBondContact O-CB 3.49Å; L387-R391 PolarHBondContact O-N 3.34Å; L387-T398 HydrophobicContact CD2-CG2 3.74Å; L387-V400 HydrophobicContact CD1-CG2 4.46Å; L387-V400 HydrophobicContact CD2-CG2 4.07Å; L387-I516 HydrophobicContact CD2-CG1 4.48Å |
| 388 | G | 89.1 | Confident | 86.2 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.2 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | M384 Q385 V386 R391 A392 | M384-G388 PolarHBondContact O-N 3.13Å; Q385-G388 PolarHBondContact O-N 3.42Å; V386-G388 PolarHBondContact O-N 3.18Å; G388-R391 PolarHBondContact O-N 3.14Å; G388-A392 WeakPolarHBondContact O-CB 3.27Å; G388-A392 PolarHBondContact O-N 3.46Å |
| 389 | E | 87.5 | Confident | 86.2 | Confident | 68 Ų | 68 | 40.4 Ų | 40.4 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.3 | -51.9 | 174 | -74.6 | 170.1 | -173.4 | 0 | 0 | 110.6 | R326 Q385 V386 R391 A392 E393 | R326-E389 IonicContact CZ-OE2 2.79Å; R326-E389 IonicContact NH1-OE2 2.93Å; R326-E389 PolarHBondContact NH1-OE2 3.35Å; R326-E389 IonicContact NH2-OE2 3.04Å; R326-E389 PolarHBondContact NH2-OE2 2.86Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.49Å; Q385-E389 PolarHBondContact NE2-OE1 3.04Å; Q385-E389 WeakPolarHBondContact O-CG 3.27Å; Q385-E389 PolarHBondContact O-N 2.93Å; V386-E389 PolarHBondContact O-N 2.87Å; E389-R391 VanDerWaalsContact C-N 3.34Å; E389-R391 PolarHBondContact O-N 2.77Å; E389-A392 PolarHBondContact O-N 3.36Å; E389-A392 VanDerWaalsContact O-N 3.1Å; E389-E393 PolarHBondContact O-N 3.1Å |
| 390 | E | 83 | Confident | 86.3 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | -179.2 | -67.9 | -69.3 | 154.3 | 0 | 0 | 111.3 | R326 V386 A392 E393 W395 G396 T398 | R326-E390 WeakPolarHBondContact CD-OE1 3.29Å; R326-E390 IonicContact CZ-OE1 3.97Å; R326-E390 IonicContact NE-OE1 3.9Å; R326-E390 IonicContact NH1-OE1 2.94Å; R326-E390 PolarHBondContact NH1-OE1 3.43Å; V386-E390 HydrophobicContact CG1-CG 4.27Å; V386-E390 WeakPolarHBondContact O-CB 3.48Å; V386-E390 VanDerWaalsContact O-CG 3.27Å; V386-E390 WeakPolarHBondContact O-CG 3.28Å; V386-E390 PolarHBondContact O-N 3.09Å; E390-A392 VanDerWaalsContact C-N 3.34Å; E390-A392 PolarHBondContact O-N 3.37Å; E390-E393 PolarHBondContact O-N 3.25Å; E390-W395 WeakPolarHBondContact O-CA 3.36Å; E390-W395 PolarHBondContact O-N 3.19Å; E390-G396 PolarHBondContact O-N 3.28Å; E390-G396 WeakPolarHBondContact OE2-CA 3.25Å; E390-G396 PolarHBondContact OE2-N 3.5Å; E390-T398 WeakPolarHBondContact CG-OG1 3.12Å |
| 391 | R | 81.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -46.2 | 172.5 | 173.2 | 179.5 | 79.4 | -134.5 | 0.4 | 111.8 | F351 S354 L387 G388 E389 E393 G394 W395 | F351-R391 PolarHBondContact O-NH1 3Å; S354-R391 VanDerWaalsContact O-CD 3.22Å; S354-R391 WeakPolarHBondContact O-CD 3.38Å; L387-R391 VanDerWaalsContact O-CB 3.28Å; L387-R391 WeakPolarHBondContact O-CB 3.49Å; L387-R391 PolarHBondContact O-N 3.34Å; G388-R391 PolarHBondContact O-N 3.14Å; E389-R391 VanDerWaalsContact C-N 3.34Å; E389-R391 PolarHBondContact O-N 2.77Å; R391-E393 VanDerWaalsContact C-N 3.35Å; R391-E393 PolarHBondContact O-N 3.18Å; R391-G394 PolarHBondContact O-N 3Å; R391-W395 HydrophobicContact CG-CZ2 3.97Å |
| 392 | A | 77.1 | Confident | 86.5 | Confident | 86 Ų | 86 | 36.8 Ų | 36.8 | 71% | 0.711 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -68.7 | -30.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G388 E389 E390 G394 | G388-A392 WeakPolarHBondContact O-CB 3.27Å; G388-A392 PolarHBondContact O-N 3.46Å; E389-A392 PolarHBondContact O-N 3.36Å; E389-A392 VanDerWaalsContact O-N 3.1Å; E390-A392 VanDerWaalsContact C-N 3.34Å; E390-A392 PolarHBondContact O-N 3.37Å; A392-G394 VanDerWaalsContact C-N 3.28Å; A392-G394 PolarHBondContact O-N 3.29Å |
| 393 | E | 71.3 | Confident | 86.5 | Confident | 159 Ų | 159 | 30.3 Ų | 30.3 | 74% | 0.743 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 8.5 | -179.1 | -67.7 | -174.9 | -178.8 | 0 | 0 | 114.1 | E389 E390 R391 | E389-E393 PolarHBondContact O-N 3.1Å; E390-E393 PolarHBondContact O-N 3.25Å; R391-E393 VanDerWaalsContact C-N 3.35Å; R391-E393 PolarHBondContact O-N 3.18Å |
| 394 | G | 59.9 | Low | 86.5 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 32.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R391 A392 I519 | R391-G394 PolarHBondContact O-N 3Å; A392-G394 VanDerWaalsContact C-N 3.28Å; A392-G394 PolarHBondContact O-N 3.29Å; G394-I519 VanDerWaalsContact O-O 3.13Å |
| 395 | W | 63.3 | Low | 86.5 | Confident | 32 Ų | 32 | 33.1 Ų | 33.1 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | trans | 52.2 | 82.9 | -179.4 | -64.7 | -82.2 | 0 | 0 | 0 | 112.2 | A352 S354 R355 E390 R391 A518 I519 I521 | A352-W395 PolarHBondContact O-NE1 3.4Å; S354-W395 WeakPolarHBondContact O-CZ2 3.35Å; R355-W395 HydrophobicContact CB-CH2 4.34Å; R355-W395 HydrophobicContact CG-CH2 4.22Å; E390-W395 WeakPolarHBondContact O-CA 3.36Å; E390-W395 PolarHBondContact O-N 3.19Å; R391-W395 HydrophobicContact CG-CZ2 3.97Å; W395-A518 WeakPolarHBondContact O-CA 3.47Å; W395-A518 WeakPolarHBondContact O-CB 2.98Å; W395-I519 HydrophobicContact CB-CB 3.6Å; W395-I519 HydrophobicContact CB-CD1 4.44Å; W395-I519 HydrophobicContact CB-CG1 3.63Å; W395-I519 VanDerWaalsContact CB-N 3.33Å; W395-I519 HydrophobicContact CD2-CB 3.5Å; W395-I519 VanDerWaalsContact CD2-CB 3.5Å; W395-I519 HydrophobicContact CD2-CD1 3.75Å; W395-I519 HydrophobicContact CD2-CG1 3.75Å; W395-I519 HydrophobicContact CD2-CG2 4.1Å; W395-I519 HydrophobicContact CE3-CB 3.44Å; W395-I519 VanDerWaalsContact CE3-CB 3.44Å; W395-I519 HydrophobicContact CE3-CD1 4.38Å; W395-I519 HydrophobicContact CE3-CG1 4.23Å; W395-I519 HydrophobicContact CE3-CG2 3.68Å; W395-I519 HydrophobicContact CG-CB 3.59Å; W395-I519 HydrophobicContact CG-CD1 3.75Å; W395-I519 HydrophobicContact CG-CG1 3.47Å; W395-I519 VanDerWaalsContact CG-CG1 3.47Å; W395-I519 HydrophobicContact CZ3-CB 4.26Å; W395-I519 HydrophobicContact CZ3-CG2 3.98Å; W395-I519 PolarHBondContact O-N 3.38Å; W395-I521 HydrophobicContact CE3-CG1 4.25Å; W395-I521 HydrophobicContact CZ3-CG1 4.19Å | ||
| 396 | G | 67.4 | Low | 86.6 | Confident | 26 Ų | 26 | 27.5 Ų | 27.5 | 27% | 0.268 | 16% | 0.16 | S | C | . | . | trans | -71.1 | 150.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E390 T398 | E390-G396 PolarHBondContact O-N 3.28Å; E390-G396 WeakPolarHBondContact OE2-CA 3.25Å; E390-G396 PolarHBondContact OE2-N 3.5Å; G396-T398 PolarHBondContact O-N 3.46Å; G396-T398 PolarHBondContact O-OG1 2.98Å | ||
| 397 | A | 86.4 | Confident | 86.8 | Confident | 18 Ų | 18 | 30.4 Ų | 30.4 | 15% | 0.149 | 18% | 0.179 | C | C | . | . | trans | -67 | 121.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F325 R326 I516 A518 | F325-A397 CarbonylContact C-O 3.52Å; F325-A397 VanDerWaalsContact CA-O 3.28Å; F325-A397 WeakPolarHBondContact CA-O 3.46Å; F325-A397 HydrophobicContact CD1-CB 3.5Å; F325-A397 HydrophobicContact CE1-CB 3.73Å; F325-A397 HydrophobicContact CG-CB 4Å; F325-A397 HydrophobicContact CZ-CB 4.39Å; R326-A397 PolarHBondContact N-O 2.89Å; A397-I516 WeakPolarHBondContact CA-O 3.43Å; A397-A518 HydrophobicContact CB-CB 4.35Å | ||
| 398 | T | 92.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.9 | -177.2 | -58 | 0 | 0 | 0 | 0 | 110.7 | V328 L387 E390 G396 V400 I516 | V328-T398 HydrophobicContact CG2-CG2 4Å; L387-T398 HydrophobicContact CD2-CG2 3.74Å; E390-T398 WeakPolarHBondContact CG-OG1 3.12Å; G396-T398 PolarHBondContact O-N 3.46Å; G396-T398 PolarHBondContact O-OG1 2.98Å; T398-V400 HydrophobicContact CG2-CG2 4.5Å; T398-I516 PolarHBondContact N-O 3.43Å; T398-I516 PolarHBondContact O-N 3Å |
| 399 | C | 96.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 112.7 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 109.1 | V320 F325 R326 V328 L514 L515 | V320-C399 HydrophobicContact CB-CB 4.44Å; V320-C399 HydrophobicContact CG1-CB 3.35Å; V320-C399 HydrophobicContact CG2-CB 4.16Å; F325-C399 HydrophobicContact CB-CB 4.02Å; F325-C399 HydrophobicContact CD1-CB 4.49Å; F325-C399 HydrophobicContact CG-CB 4.48Å; R326-C399 PolarHBondContact O-N 3.27Å; V328-C399 PolarHBondContact N-O 3.39Å; C399-L514 CarbonylContact C-O 3.58Å; C399-L514 WeakPolarHBondContact CA-O 3.33Å; C399-L515 HydrophobicContact CB-CD2 3.59Å; C399-L515 VanDerWaalsContact SG-CD2 3.54Å |
| 400 | V | 98.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.9 | 170.9 | -175 | 0 | 0 | 0 | 0 | 108.2 | V328 L330 T383 L387 T398 L514 | V328-V400 CarbonylContact O-C 3.45Å; V328-V400 WeakPolarHBondContact O-CA 3.34Å; L330-V400 HydrophobicContact CB-CG1 3.73Å; L330-V400 HydrophobicContact CD2-CG1 4.26Å; L330-V400 HydrophobicContact CG-CG1 4.5Å; T383-V400 HydrophobicContact CG2-CG1 4.21Å; T383-V400 HydrophobicContact CG2-CG2 4.23Å; L387-V400 HydrophobicContact CD1-CG2 4.46Å; L387-V400 HydrophobicContact CD2-CG2 4.07Å; T398-V400 HydrophobicContact CG2-CG2 4.5Å; V400-L514 HydrophobicContact CB-CB 4.18Å; V400-L514 PolarHBondContact N-O 3.29Å; V400-L514 PolarHBondContact O-N 3.35Å |
| 401 | L | 98.6 | Very high | 88 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.9 | 178.2 | -68.5 | 172.7 | 0 | 0 | 0 | 109.1 | T36 L313 A316 V320 P327 V328 V329 L330 H512 V513 | T36-L401 HydrophobicContact CG2-CD2 3.68Å; L313-L401 HydrophobicContact CD2-CB 4.34Å; A316-L401 HydrophobicContact CB-CD1 4.11Å; A316-L401 HydrophobicContact CB-CD2 4.39Å; V320-L401 HydrophobicContact CG2-CD1 4.31Å; V320-L401 HydrophobicContact CG2-CD2 4.47Å; P327-L401 HydrophobicContact CB-CD1 4.47Å; V328-L401 PolarHBondContact O-N 2.83Å; V329-L401 CarbonylContact C-O 3.03Å; V329-L401 WeakPolarHBondContact CA-O 2.91Å; V329-L401 HydrophobicContact CG2-CB 4.42Å; L330-L401 PolarHBondContact N-O 3.25Å; L401-H512 WeakPolarHBondContact CA-O 3.24Å; L401-V513 HydrophobicContact CD2-CG1 4.36Å; L401-V513 HydrophobicContact CD2-CG2 4.04Å |
| 402 | A | 98.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 170 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L313 L330 S331 V334 Y345 H512 | L313-A402 VanDerWaalsContact CD2-O 3.32Å; L313-A402 WeakPolarHBondContact CD2-O 3.41Å; L330-A402 HydrophobicContact CB-CB 4.03Å; L330-A402 HydrophobicContact CD2-CB 4.28Å; S331-A402 CarbonylContact O-C 3.51Å; S331-A402 WeakPolarHBondContact O-CA 3.32Å; S331-A402 WeakPolarHBondContact O-CB 3.12Å; V334-A402 HydrophobicContact CG2-CB 3.75Å; Y345-A402 WeakPolarHBondContact OH-CB 3.4Å; A402-H512 HydrophobicContact CB-CB 4.37Å; A402-H512 PolarHBondContact N-O 3.02Å; A402-H512 PolarHBondContact O-N 3.4Å |
| 403 | G | 97 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 179.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | N309 S331 P332 G333 V334 D510 | N309-G403 VanDerWaalsContact OD1-CA 3.23Å; N309-G403 WeakPolarHBondContact OD1-CA 3.48Å; S331-G403 PolarHBondContact O-N 2.86Å; P332-G403 CarbonylContact C-O 3.59Å; P332-G403 CarbonylContact O-C 3.52Å; G333-G403 PolarHBondContact N-O 3.25Å; G333-G403 VanDerWaalsContact N-O 3.16Å; V334-G403 WeakPolarHBondContact CB-O 3.11Å; V334-G403 WeakPolarHBondContact CG2-O 3.47Å; V334-G403 PolarHBondContact N-O 2.98Å; G403-D510 WeakPolarHBondContact CA-O 3.44Å |
| 404 | G | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.8 | -153.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V334 M509 D510 | V334-G404 CarbonylContact O-C 3.59Å; V334-G404 VanDerWaalsContact O-CA 3.29Å; V334-G404 WeakPolarHBondContact O-CA 3.21Å; G404-M509 WeakPolarHBondContact O-CB 3.33Å; G404-D510 PolarHBondContact N-O 2.99Å; G404-D510 VanDerWaalsContact O-CB 3.28Å; G404-D510 WeakPolarHBondContact O-CB 3.26Å; G404-D510 PolarHBondContact O-N 3Å |
| 405 | E | 95.5 | Very high | 92.5 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 35% | 0.346 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 79.5 | -174 | -163.9 | 163.7 | -150.6 | 0 | 0 | 111.6 | I238 V334 R418 M509 | I238-E405 HydrophobicContact CD1-CB 4.11Å; I238-E405 HydrophobicContact CG1-CB 4.46Å; V334-E405 PolarHBondContact O-N 3.03Å; E405-R418 VanDerWaalsContact CG-CZ 3.46Å; E405-R418 IonicContact OE1-CZ 2.97Å; E405-R418 IonicContact OE1-NH1 2.93Å; E405-R418 PolarHBondContact OE1-NH1 2.74Å; E405-R418 IonicContact OE1-NH2 3.5Å; E405-R418 PolarHBondContact OE1-NH2 2.78Å; E405-R418 VanDerWaalsContact OE1-NH2 3.15Å; E405-M509 HydrophobicContact CB-CB 4.28Å; E405-M509 HydrophobicContact CB-CG 4.33Å; E405-M509 HydrophobicContact CB-SD 4.14Å |
| 406 | P | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 166 | 172.6 | -23.3 | 35.6 | 0 | 0 | 0 | 112.6 | V334 G336 V338 V341 R418 L422 D510 | V334-P406 HydrophobicContact CG1-CG 4.34Å; G336-P406 CarbonylContact O-C 3.55Å; G336-P406 WeakPolarHBondContact O-CA 3.44Å; V338-P406 HydrophobicContact CG1-CB 3.83Å; V341-P406 HydrophobicContact CG2-CB 4.33Å; V341-P406 HydrophobicContact CG2-CG 4.45Å; P406-R418 WeakPolarHBondContact O-CD 3.43Å; P406-L422 HydrophobicContact CG-CD2 4.43Å; P406-D510 VanDerWaalsContact CD-OD2 3.24Å; P406-D510 WeakPolarHBondContact CD-OD2 3.43Å |
| 407 | T | 95.6 | Very high | 95.5 | Very high | 78 Ų | 78 | 43.8 Ų | 43.8 | 48% | 0.479 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149.4 | 176.7 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | G336 N337 V338 | G336-T407 PolarHBondContact O-N 3.28Å; G336-T407 PolarHBondContact O-OG1 2.82Å; N337-T407 CarbonylContact C-O 3.59Å; N337-T407 WeakPolarHBondContact CA-O 3.31Å; V338-T407 WeakPolarHBondContact CG1-O 3.33Å; V338-T407 PolarHBondContact N-O 2.9Å |
| 408 | V | 94.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | trans | -112.9 | 136 | 173.7 | 62.4 | 0 | 0 | 0 | 0 | 109.2 | V338 L410 E421 | V338-V408 HydrophobicContact CG2-CB 4.29Å; V338-V408 HydrophobicContact CG2-CG2 4.29Å; V408-L410 HydrophobicContact CG1-CD2 4.11Å; V408-E421 VanDerWaalsContact CG2-CD 3.5Å; V408-E421 WeakPolarHBondContact CG2-OE2 2.79Å | ||
| 409 | E | 93.9 | Very high | 96.4 | Very high | 101 Ų | 101 | 45.6 Ų | 45.6 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | trans | -83 | 119.4 | 172.8 | -173.4 | -178.9 | -173.1 | 0 | 0 | 109 | R339 T411 N483 | R339-E409 IonicContact NH1-OE2 2.73Å; E409-T411 HydrophobicContact CG-CG2 4.32Å; E409-T411 PolarHBondContact O-N 2.85Å; E409-N483 PolarHBondContact O-ND2 3Å | ||
| 410 | L | 94 | Very high | 96.5 | Very high | 137 Ų | 137 | 45.6 Ų | 45.6 | 72% | 0.717 | 24% | 0.242 | S | C | * | . | trans | -84.5 | 110.1 | -179.3 | -60.4 | -179.8 | 0 | 0 | 0 | 110.3 | V408 N483 | V408-L410 HydrophobicContact CG1-CD2 4.11Å; L410-N483 HydrophobicContact CD2-CB 4.48Å | ||
| 411 | T | 93.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | trans | -114.9 | -23 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | E409 S481 N483 | E409-T411 HydrophobicContact CG-CG2 4.32Å; E409-T411 PolarHBondContact O-N 2.85Å; T411-S481 PolarHBondContact OG1-O 3.24Å; T411-S481 VanDerWaalsContact OG1-O 3.11Å; T411-N483 PolarHBondContact N-OD1 3.34Å; T411-N483 PolarHBondContact OG1-OD1 2.88Å | ||
| 412 | G | 94.2 | Very high | 96.5 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -110.7 | -168.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N482 N483 | G412-N482 WeakPolarHBondContact CA-O 3.48Å; G412-N483 PolarHBondContact N-OD1 3.33Å |
| 413 | K | 95.8 | Very high | 96.5 | Very high | 205 Ų | 205 | 45.8 Ų | 45.8 | 89% | 0.891 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -119.9 | 11.2 | 177.4 | -60.6 | -177.3 | -177.5 | 178.3 | 0 | 112.6 | N482 | K413-N482 PolarHBondContact N-O 3.15Å; K413-N482 PolarHBondContact N-OD1 2.79Å |
| 414 | G | 96.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | trans | -65.1 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | N482 N483 | G414-N482 WeakPolarHBondContact CA-O 3.49Å; G414-N482 PolarHBondContact N-O 3.01Å; G414-N483 CarbonylContact C-O 3.48Å; G414-N483 VanDerWaalsContact C-O 3.28Å | ||
| 415 | R | 97.3 | Very high | 96.7 | Very high | 100 Ų | 100 | 47.6 Ų | 47.6 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | trans | -113.8 | 132.5 | 176.4 | -163.6 | -175.6 | 171.4 | -164.4 | -2.8 | 108.7 | P453 T454 N483 D484 S485 Y486 | R415-P453 HydrophobicContact CG-CG 4.38Å; R415-P453 PolarHBondContact NE-O 3Å; R415-P453 PolarHBondContact NH2-O 2.85Å; R415-T454 HydrophobicContact CG-CG2 3.96Å; R415-N483 CarbonylContact C-O 3.51Å; R415-N483 PolarHBondContact N-O 2.81Å; R415-D484 PolarHBondContact N-OD1 3.48Å; R415-D484 CarbonylContact O-C 3.48Å; R415-D484 VanDerWaalsContact O-C 3.27Å; R415-D484 WeakPolarHBondContact O-CA 3.41Å; R415-S485 PolarHBondContact O-N 3.47Å; R415-Y486 WeakPolarHBondContact O-CB 3.17Å; R415-Y486 PolarHBondContact O-N 2.94Å | ||
| 416 | G | 97.2 | Very high | 96.8 | Very high | 15 Ų | 15 | 44 Ų | 44 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | trans | 169.3 | -178.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P453 S485 | G416-P453 WeakPolarHBondContact O-CD 3.41Å; G416-S485 WeakPolarHBondContact CA-OG 3.19Å | ||
| 417 | G | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 44 Ų | 44 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | trans | -145.3 | -179.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E421 D451 | G417-E421 WeakPolarHBondContact O-CB 3.44Å; G417-E421 PolarHBondContact O-N 3.24Å; G417-D451 VanDerWaalsContact C-OD1 3.31Å; G417-D451 VanDerWaalsContact CA-CG 3.42Å; G417-D451 WeakPolarHBondContact CA-OD1 3.29Å; G417-D451 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 418 | R | 97.8 | Very high | 96.7 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 21% | 0.211 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | -174.9 | 59.2 | -178.8 | 178.8 | -134.6 | 3.6 | 111.6 | V338 E405 P406 L422 D451 D510 | V338-R418 HydrophobicContact CG1-CB 4.07Å; E405-R418 VanDerWaalsContact CG-CZ 3.46Å; E405-R418 IonicContact OE1-CZ 2.97Å; E405-R418 IonicContact OE1-NH1 2.93Å; E405-R418 PolarHBondContact OE1-NH1 2.74Å; E405-R418 IonicContact OE1-NH2 3.5Å; E405-R418 PolarHBondContact OE1-NH2 2.78Å; E405-R418 VanDerWaalsContact OE1-NH2 3.15Å; P406-R418 WeakPolarHBondContact O-CD 3.43Å; R418-L422 WeakPolarHBondContact O-CB 3.19Å; R418-L422 PolarHBondContact O-N 3.25Å; R418-D451 WeakPolarHBondContact CG-OD1 3.49Å; R418-D451 PolarHBondContact N-OD1 3.44Å; R418-D510 WeakPolarHBondContact CD-OD2 3.39Å; R418-D510 IonicContact CZ-OD1 2.84Å; R418-D510 IonicContact CZ-OD2 3.76Å; R418-D510 IonicContact NE-OD1 3.2Å; R418-D510 PolarHBondContact NE-OD1 3.33Å; R418-D510 IonicContact NE-OD2 3.97Å; R418-D510 PolarHBondContact NE-OD2 2.88Å; R418-D510 IonicContact NH2-OD1 2.72Å; R418-D510 PolarHBondContact NH2-OD1 2.96Å; R418-D510 IonicContact NH2-OD2 3.89Å; R418-D510 PolarHBondContact NH2-OD2 2.88Å |
| 419 | N | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.7 | -42.3 | -178.1 | -69.2 | -73.1 | 0 | 0 | 0 | 111.2 | L422 A423 S444 G445 G446 D451 D510 | N419-L422 PolarHBondContact O-N 3.2Å; N419-A423 WeakPolarHBondContact O-CB 3.21Å; N419-A423 PolarHBondContact O-N 2.81Å; N419-S444 WeakPolarHBondContact CA-OG 3.31Å; N419-S444 VanDerWaalsContact CB-OG 3.27Å; N419-S444 WeakPolarHBondContact CB-OG 3.32Å; N419-S444 PolarHBondContact O-OG 3.46Å; N419-S444 PolarHBondContact OD1-OG 3.22Å; N419-G445 PolarHBondContact OD1-N 2.93Å; N419-G446 PolarHBondContact ND2-N 3.28Å; N419-D451 HydrophobicContact CB-CB 4.24Å; N419-D451 PolarHBondContact N-OD1 2.73Å; N419-D451 PolarHBondContact N-OD2 3.47Å; N419-D451 VanDerWaalsContact N-OD2 3.15Å; N419-D451 PolarHBondContact ND2-OD1 3.06Å; N419-D510 VanDerWaalsContact ND2-CG 3.31Å; N419-D510 PolarHBondContact ND2-OD1 3.44Å; N419-D510 WeakPolarHBondContact OD1-CB 3.36Å; N419-D510 VanDerWaalsContact OD1-CG 3.28Å |
| 420 | Q | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -47.7 | 173.9 | -70 | 163.7 | 73.9 | 0 | 0 | 111.4 | L422 A423 L424 D451 T454 A459 S485 F489 | Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 3.24Å; Q420-A423 PolarHBondContact O-N 2.92Å; Q420-L424 PolarHBondContact O-N 3.28Å; Q420-D451 WeakPolarHBondContact CB-OD2 3.49Å; Q420-D451 VanDerWaalsContact CG-OD2 3.26Å; Q420-D451 WeakPolarHBondContact CG-OD2 3.29Å; Q420-D451 PolarHBondContact N-OD2 3.47Å; Q420-D451 PolarHBondContact NE2-O 3.32Å; Q420-D451 PolarHBondContact NE2-OD2 3.42Å; Q420-T454 PolarHBondContact NE2-OG1 2.8Å; Q420-A459 HydrophobicContact CG-CB 4.37Å; Q420-S485 WeakPolarHBondContact CB-OG 3.42Å; Q420-F489 HydrophobicContact CB-CD2 4.36Å; Q420-F489 HydrophobicContact CB-CE2 4.46Å; Q420-F489 WeakPolarHBondContact O-CE2 3.48Å |
| 421 | E | 98.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 178 | -172 | 168 | 144.4 | 0 | 0 | 111.8 | V338 V408 G417 L424 R425 L480 N483 | V338-E421 HydrophobicContact CG2-CG 4.15Å; V408-E421 VanDerWaalsContact CG2-CD 3.5Å; V408-E421 WeakPolarHBondContact CG2-OE2 2.79Å; G417-E421 WeakPolarHBondContact O-CB 3.44Å; G417-E421 PolarHBondContact O-N 3.24Å; E421-L424 PolarHBondContact O-N 3.38Å; E421-R425 HydrophobicContact CG-CG 4.36Å; E421-R425 WeakPolarHBondContact O-CB 3.44Å; E421-R425 VanDerWaalsContact O-CG 3.29Å; E421-R425 WeakPolarHBondContact O-CG 3.28Å; E421-R425 PolarHBondContact O-N 3.25Å; E421-R425 IonicContact OE1-CZ 3.75Å; E421-R425 IonicContact OE1-NE 3.94Å; E421-R425 PolarHBondContact OE1-NE 3.44Å; E421-R425 IonicContact OE1-NH2 3.61Å; E421-R425 PolarHBondContact OE1-NH2 3.3Å; E421-L480 HydrophobicContact CG-CD2 3.69Å; E421-N483 PolarHBondContact OE2-ND2 2.98Å |
| 422 | L | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 174.3 | 179.3 | 57.2 | 0 | 0 | 0 | 111.3 | V338 V341 Y345 P406 R418 N419 Q420 L424 R425 V426 F442 H512 | V338-L422 HydrophobicContact CB-CB 4.38Å; V338-L422 HydrophobicContact CG1-CB 4.12Å; V341-L422 HydrophobicContact CB-CD1 4Å; V341-L422 HydrophobicContact CG1-CD1 3.74Å; V341-L422 HydrophobicContact CG1-CD2 3.91Å; Y345-L422 HydrophobicContact CD2-CD1 4.5Å; Y345-L422 HydrophobicContact CE2-CD2 4.47Å; P406-L422 HydrophobicContact CG-CD2 4.43Å; R418-L422 WeakPolarHBondContact O-CB 3.19Å; R418-L422 PolarHBondContact O-N 3.25Å; N419-L422 PolarHBondContact O-N 3.2Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 3.24Å; L422-L424 VanDerWaalsContact C-N 3.34Å; L422-L424 PolarHBondContact O-N 2.87Å; L422-R425 PolarHBondContact O-N 2.91Å; L422-V426 HydrophobicContact CD1-CG2 3.96Å; L422-V426 HydrophobicContact CG-CG2 4.41Å; L422-V426 WeakPolarHBondContact O-CG2 3.39Å; L422-V426 PolarHBondContact O-N 2.91Å; L422-F442 HydrophobicContact CD2-CE1 4.37Å; L422-F442 HydrophobicContact CD2-CZ 4.02Å; L422-F442 HydrophobicContact CG-CE1 3.97Å; L422-F442 HydrophobicContact CG-CZ 4.02Å; L422-H512 WeakPolarHBondContact CD2-NE2 3.34Å |
| 423 | A | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N419 Q420 R425 V426 G427 F442 A459 T461 F489 | N419-A423 WeakPolarHBondContact O-CB 3.21Å; N419-A423 PolarHBondContact O-N 2.81Å; Q420-A423 PolarHBondContact O-N 2.92Å; A423-R425 PolarHBondContact O-N 3.47Å; A423-V426 PolarHBondContact O-N 2.99Å; A423-G427 PolarHBondContact O-N 3.47Å; A423-F442 HydrophobicContact CB-CD1 4.48Å; A423-A459 HydrophobicContact CB-CB 3.93Å; A423-T461 HydrophobicContact CB-CG2 4.47Å; A423-T461 VanDerWaalsContact O-CB 3.31Å; A423-T461 WeakPolarHBondContact O-CB 3.21Å; A423-T461 WeakPolarHBondContact O-CG2 3.29Å; A423-T461 PolarHBondContact O-OG1 3.47Å; A423-F489 HydrophobicContact CB-CZ 4.23Å |
| 424 | L | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 176.3 | -178.4 | 50 | 0 | 0 | 0 | 111.7 | Q420 E421 L422 G427 L428 L465 I476 L480 F488 F489 | Q420-L424 PolarHBondContact O-N 3.28Å; E421-L424 PolarHBondContact O-N 3.38Å; L422-L424 VanDerWaalsContact C-N 3.34Å; L422-L424 PolarHBondContact O-N 2.87Å; L424-G427 PolarHBondContact O-N 3.49Å; L424-L428 PolarHBondContact O-N 2.82Å; L424-L465 HydrophobicContact CD1-CD2 3.64Å; L424-I476 HydrophobicContact CD1-CD1 4.42Å; L424-I476 HydrophobicContact CD1-CG1 4.27Å; L424-I476 HydrophobicContact CD1-CG2 3.69Å; L424-I476 HydrophobicContact CD2-CG2 4.26Å; L424-I476 HydrophobicContact CG-CG2 4.05Å; L424-L480 HydrophobicContact CB-CD2 4.38Å; L424-L480 HydrophobicContact CD2-CD2 3.58Å; L424-L480 HydrophobicContact CD2-CG 3.77Å; L424-L480 HydrophobicContact CG-CD1 4.43Å; L424-L480 HydrophobicContact CG-CD2 3.89Å; L424-L480 HydrophobicContact CG-CG 4.15Å; L424-F488 HydrophobicContact CD1-CD1 3.88Å; L424-F488 HydrophobicContact CD1-CE1 3.41Å; L424-F488 VanDerWaalsContact CD1-CE1 3.41Å; L424-F488 HydrophobicContact CD1-CE2 4.44Å; L424-F488 HydrophobicContact CD1-CZ 3.71Å; L424-F488 HydrophobicContact CD2-CD1 4.02Å; L424-F488 HydrophobicContact CD2-CE1 4.4Å; L424-F488 HydrophobicContact CD2-CG 4.26Å; L424-F488 HydrophobicContact CG-CE1 4.47Å; L424-F489 HydrophobicContact CB-CE2 3.98Å; L424-F489 HydrophobicContact CB-CZ 4.13Å |
| 425 | R | 98.1 | Very high | 90.9 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.6 | -39.6 | 179.7 | -68.6 | 177.3 | 177.7 | -67.9 | -4.6 | 112.9 | S342 E421 L422 A423 G427 L428 E429 L480 | S342-R425 VanDerWaalsContact CB-CB 3.45Å; S342-R425 WeakPolarHBondContact OG-CB 3.46Å; E421-R425 HydrophobicContact CG-CG 4.36Å; E421-R425 WeakPolarHBondContact O-CB 3.44Å; E421-R425 VanDerWaalsContact O-CG 3.29Å; E421-R425 WeakPolarHBondContact O-CG 3.28Å; E421-R425 PolarHBondContact O-N 3.25Å; E421-R425 IonicContact OE1-CZ 3.75Å; E421-R425 IonicContact OE1-NE 3.94Å; E421-R425 PolarHBondContact OE1-NE 3.44Å; E421-R425 IonicContact OE1-NH2 3.61Å; E421-R425 PolarHBondContact OE1-NH2 3.3Å; L422-R425 PolarHBondContact O-N 2.91Å; A423-R425 PolarHBondContact O-N 3.47Å; R425-G427 VanDerWaalsContact C-N 3.32Å; R425-G427 PolarHBondContact O-N 2.85Å; R425-L428 WeakPolarHBondContact O-CB 3.37Å; R425-L428 PolarHBondContact O-N 3.49Å; R425-L428 VanDerWaalsContact O-N 3.16Å; R425-E429 PolarHBondContact O-N 3.27Å; R425-E429 VanDerWaalsContact O-N 3.14Å; R425-L480 HydrophobicContact CG-CD1 4.37Å; R425-L480 HydrophobicContact CG-CD2 3.99Å |
| 426 | V | 97.6 | Very high | 89 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | Y345 L422 A423 L428 E429 L430 F442 T461 | Y345-V426 HydrophobicContact CD2-CG2 4.27Å; Y345-V426 HydrophobicContact CG-CG2 4.44Å; L422-V426 HydrophobicContact CD1-CG2 3.96Å; L422-V426 HydrophobicContact CG-CG2 4.41Å; L422-V426 WeakPolarHBondContact O-CG2 3.39Å; L422-V426 PolarHBondContact O-N 2.91Å; A423-V426 PolarHBondContact O-N 2.99Å; V426-L428 PolarHBondContact O-N 3.38Å; V426-E429 WeakPolarHBondContact O-CB 3.19Å; V426-E429 PolarHBondContact O-N 3.03Å; V426-L430 HydrophobicContact CG1-CD1 4.16Å; V426-L430 HydrophobicContact CG1-CG 4.18Å; V426-L430 WeakPolarHBondContact O-CG 3.37Å; V426-L430 PolarHBondContact O-N 3.14Å; V426-F442 HydrophobicContact CB-CD1 3.83Å; V426-F442 HydrophobicContact CB-CE1 4.19Å; V426-F442 HydrophobicContact CB-CG 4.14Å; V426-F442 HydrophobicContact CG1-CB 3.69Å; V426-F442 HydrophobicContact CG1-CD1 3.85Å; V426-F442 HydrophobicContact CG1-CD2 4.14Å; V426-F442 HydrophobicContact CG1-CG 3.62Å; V426-F442 HydrophobicContact CG2-CD1 3.98Å; V426-F442 HydrophobicContact CG2-CE1 3.84Å; V426-F442 HydrophobicContact CG2-CE2 4.46Å; V426-F442 HydrophobicContact CG2-CG 4.34Å; V426-F442 HydrophobicContact CG2-CZ 4.09Å; V426-T461 HydrophobicContact CB-CG2 4.3Å; V426-T461 HydrophobicContact CG1-CG2 4.26Å |
| 427 | G | 95.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.4 | -36.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A423 L424 R425 L430 T461 | A423-G427 PolarHBondContact O-N 3.47Å; L424-G427 PolarHBondContact O-N 3.49Å; R425-G427 VanDerWaalsContact C-N 3.32Å; R425-G427 PolarHBondContact O-N 2.85Å; G427-L430 PolarHBondContact O-N 2.86Å; G427-T461 VanDerWaalsContact CA-OG1 3.23Å; G427-T461 WeakPolarHBondContact CA-OG1 3.35Å |
| 428 | L | 95 | Very high | 85.3 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -38.4 | 173.8 | -64.4 | 177.5 | 0 | 0 | 0 | 112.8 | L424 R425 V426 L430 R431 Y466 I476 L480 | L424-L428 PolarHBondContact O-N 2.82Å; R425-L428 WeakPolarHBondContact O-CB 3.37Å; R425-L428 PolarHBondContact O-N 3.49Å; R425-L428 VanDerWaalsContact O-N 3.16Å; V426-L428 PolarHBondContact O-N 3.38Å; L428-L430 VanDerWaalsContact C-N 3.29Å; L428-L430 PolarHBondContact O-N 3.46Å; L428-R431 WeakPolarHBondContact O-CB 3.47Å; L428-R431 PolarHBondContact O-N 2.72Å; L428-Y466 HydrophobicContact CD2-CD2 3.81Å; L428-Y466 HydrophobicContact CD2-CE2 4.5Å; L428-I476 HydrophobicContact CD1-CG2 3.91Å; L428-I476 HydrophobicContact CD2-CD1 3.93Å; L428-I476 HydrophobicContact CD2-CG2 4.08Å; L428-I476 HydrophobicContact CG-CG2 4.31Å; L428-L480 HydrophobicContact CD1-CD1 3.75Å |
| 429 | E | 94.3 | Very high | 84.4 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -29.1 | 177.4 | -71.4 | -70 | 159 | 0 | 0 | 112.9 | R343 R350 R425 V426 R431 | R343-E429 IonicContact CZ-OE2 3.93Å; R343-E429 IonicContact NH1-OE1 2.86Å; R343-E429 IonicContact NH1-OE2 3.44Å; R343-E429 PolarHBondContact NH1-OE2 3.32Å; R350-E429 PolarHBondContact NH2-O 2.95Å; R425-E429 PolarHBondContact O-N 3.27Å; R425-E429 VanDerWaalsContact O-N 3.14Å; V426-E429 WeakPolarHBondContact O-CB 3.19Å; V426-E429 PolarHBondContact O-N 3.03Å; E429-R431 VanDerWaalsContact C-N 3.25Å; E429-R431 PolarHBondContact O-N 2.89Å |
| 430 | L | 90.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -12.9 | 176.1 | -64 | -179.2 | 0 | 0 | 0 | 113.3 | A349 V426 G427 L428 G432 L433 P440 A463 | A349-L430 HydrophobicContact CB-CD2 3.39Å; V426-L430 HydrophobicContact CG1-CD1 4.16Å; V426-L430 HydrophobicContact CG1-CG 4.18Å; V426-L430 WeakPolarHBondContact O-CG 3.37Å; V426-L430 PolarHBondContact O-N 3.14Å; G427-L430 PolarHBondContact O-N 2.86Å; L428-L430 VanDerWaalsContact C-N 3.29Å; L428-L430 PolarHBondContact O-N 3.46Å; L430-G432 PolarHBondContact O-N 2.84Å; L430-L433 HydrophobicContact CD2-CD1 3.96Å; L430-L433 WeakPolarHBondContact O-CG 3.5Å; L430-P440 HydrophobicContact CD1-CG 4.06Å; L430-P440 HydrophobicContact CD2-CB 4.48Å; L430-P440 HydrophobicContact CD2-CG 3.61Å; L430-P440 HydrophobicContact CG-CG 4.34Å; L430-A463 HydrophobicContact CB-CB 4.21Å |
| 431 | R | 85.7 | Confident | 83.9 | Confident | 129 Ų | 129 | 39.4 Ų | 39.4 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 135 | 179.2 | -176.1 | -177.6 | 173.2 | -167.9 | -1.2 | 111.2 | L428 E429 L433 | L428-R431 WeakPolarHBondContact O-CB 3.47Å; L428-R431 PolarHBondContact O-N 2.72Å; E429-R431 VanDerWaalsContact C-N 3.25Å; E429-R431 PolarHBondContact O-N 2.89Å; R431-L433 PolarHBondContact O-N 2.86Å |
| 432 | G | 69.6 | Low | 83.9 | Confident | 80 Ų | 80 | 39.2 Ų | 39.2 | 83% | 0.825 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 10.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L430 | L430-G432 PolarHBondContact O-N 2.84Š|
| 433 | L | 72.5 | Confident | 83.9 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | trans | -66.9 | 141.4 | 165.7 | -62.9 | 178.9 | 0 | 0 | 0 | 109.4 | A349 R350 L430 R431 L435 | A349-L433 HydrophobicContact CB-CD1 4.41Å; R350-L433 HydrophobicContact CB-CD2 4.03Å; R350-L433 HydrophobicContact CG-CD1 4.4Å; R350-L433 HydrophobicContact CG-CD2 3.54Å; L430-L433 HydrophobicContact CD2-CD1 3.96Å; L430-L433 WeakPolarHBondContact O-CG 3.5Å; R431-L433 PolarHBondContact O-N 2.86Å; L433-L435 HydrophobicContact CB-CD1 4.17Å; L433-L435 HydrophobicContact CB-CD2 3.4Å; L433-L435 VanDerWaalsContact CB-CD2 3.4Å; L433-L435 HydrophobicContact CB-CG 3.58Å; L433-L435 HydrophobicContact CD1-CD2 4.04Å; L433-L435 HydrophobicContact CG-CD2 4.35Å; L433-L435 WeakPolarHBondContact O-CG 3.47Å; L433-L435 PolarHBondContact O-N 2.98Å | ||
| 434 | E | 65.3 | Low | 83.9 | Confident | 140 Ų | 140 | 39.2 Ų | 39.2 | 65% | 0.654 | 21% | 0.212 | S | C | * | . | trans | -72 | 83.6 | 168.2 | -72.4 | -164.7 | 172.8 | 0 | 0 | 108.7 | ||||
| 435 | L | 63.1 | Low | 83.9 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -86.4 | 149.7 | -168.4 | -67.9 | 174.7 | 0 | 0 | 0 | 112.9 | C353 L433 P440 A463 | C353-L435 HydrophobicContact CB-CD2 4Å; L433-L435 HydrophobicContact CB-CD1 4.17Å; L433-L435 HydrophobicContact CB-CD2 3.4Å; L433-L435 VanDerWaalsContact CB-CD2 3.4Å; L433-L435 HydrophobicContact CB-CG 3.58Å; L433-L435 HydrophobicContact CD1-CD2 4.04Å; L433-L435 HydrophobicContact CG-CD2 4.35Å; L433-L435 WeakPolarHBondContact O-CG 3.47Å; L433-L435 PolarHBondContact O-N 2.98Å; L435-P440 HydrophobicContact CD2-CG 4.09Å; L435-A463 HydrophobicContact CD1-CB 3.03Å |
| 436 | P | 57.7 | Low | 83.9 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 160.7 | 161.8 | 28 | -34.4 | 0 | 0 | 0 | 110.6 | Q438 G439 P517 I519 | P436-Q438 PolarHBondContact O-N 2.95Å; P436-Q438 VanDerWaalsContact O-N 3.15Å; P436-G439 PolarHBondContact O-N 3.49Å; P436-P517 HydrophobicContact CB-CG 4.49Å; P436-P517 HydrophobicContact CG-CG 3.62Å; P436-I519 HydrophobicContact CB-CB 4.03Å; P436-I519 HydrophobicContact CB-CD1 3.87Å; P436-I519 HydrophobicContact CB-CG1 3.56Å; P436-I519 HydrophobicContact CB-CG2 3.95Å; P436-I519 HydrophobicContact CG-CD1 3.7Å; P436-I519 HydrophobicContact CG-CG1 3.66Å |
| 437 | P | 52.4 | Low | 83.9 | Confident | 102 Ų | 102 | 37.4 Ų | 37.4 | 66% | 0.662 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 126.1 | 163.4 | -20 | 31.1 | 0 | 0 | 0 | 109 | ||
| 438 | Q | 64.7 | Low | 83.9 | Confident | 156 Ų | 156 | 39.9 Ų | 39.9 | 73% | 0.729 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -17.4 | -175.4 | -49.3 | 177.1 | 25.8 | 0 | 0 | 117.7 | M29 P436 | M29-Q438 HydrophobicContact CE-CB 4.24Å; M29-Q438 WeakPolarHBondContact CE-O 3.14Å; P436-Q438 PolarHBondContact O-N 2.95Å; P436-Q438 VanDerWaalsContact O-N 3.15Å |
| 439 | G | 80.1 | Confident | 83.9 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | trans | 57.2 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | M29 P436 P517 | M29-G439 WeakPolarHBondContact CE-O 3.36Å; P436-G439 PolarHBondContact O-N 3.49Å; G439-P517 WeakPolarHBondContact O-CD 3.35Å; G439-P517 WeakPolarHBondContact O-CG 3.18Å | ||
| 440 | P | 90.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -74.3 | 148.3 | 170.9 | 29.7 | -35.6 | 0 | 0 | 0 | 111.4 | A349 L430 L435 L514 L515 I516 | A349-P440 HydrophobicContact CB-CG 4.44Å; L430-P440 HydrophobicContact CD1-CG 4.06Å; L430-P440 HydrophobicContact CD2-CB 4.48Å; L430-P440 HydrophobicContact CD2-CG 3.61Å; L430-P440 HydrophobicContact CG-CG 4.34Å; L435-P440 HydrophobicContact CD2-CG 4.09Å; P440-L514 HydrophobicContact CB-CD1 4.21Å; P440-L515 CarbonylContact C-O 3.52Å; P440-L515 WeakPolarHBondContact CA-O 3.47Å; P440-L515 WeakPolarHBondContact CB-O 3.39Å; P440-I516 HydrophobicContact CB-CD1 3.79Å | ||
| 441 | V | 94.8 | Very high | 84.2 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.2 | 171.7 | 162.9 | 0 | 0 | 0 | 0 | 108.7 | M29 A33 V460 T461 D462 L514 L515 | M29-V441 HydrophobicContact CB-CB 4.28Å; M29-V441 HydrophobicContact CB-CG2 3.84Å; M29-V441 HydrophobicContact CE-CB 4.09Å; M29-V441 HydrophobicContact CE-CG2 3.47Å; M29-V441 VanDerWaalsContact CE-CG2 3.47Å; A33-V441 HydrophobicContact CB-CG1 3.96Å; V441-V460 HydrophobicContact CG1-CG2 3.65Å; V441-T461 WeakPolarHBondContact CA-O 3.27Å; V441-D462 HydrophobicContact CG2-CB 4.16Å; V441-L514 CarbonylContact O-C 3.57Å; V441-L514 WeakPolarHBondContact O-CA 3.35Å; V441-L515 HydrophobicContact CB-CB 4.43Å; V441-L515 PolarHBondContact N-O 2.89Å; V441-L515 PolarHBondContact O-N 3.26Å |
| 442 | F | 98.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.4 | 174.1 | 178.2 | -93.3 | 0 | 0 | 0 | 110.3 | Y345 L422 A423 V426 V460 T461 H512 V513 L514 | Y345-F442 HydrophobicContact CD1-CD2 4.28Å; Y345-F442 AromaticContact CD1-CE2 3.76Å; Y345-F442 HydrophobicContact CD1-CE2 3.76Å; Y345-F442 AromaticContact CD2-CE2 3.7Å; Y345-F442 HydrophobicContact CD2-CE2 3.7Å; Y345-F442 AromaticContact CD2-CZ 3.9Å; Y345-F442 HydrophobicContact CD2-CZ 3.9Å; Y345-F442 AromaticContact CE1-CE2 3.86Å; Y345-F442 HydrophobicContact CE1-CE2 3.86Å; Y345-F442 AromaticContact CE2-CE2 3.79Å; Y345-F442 HydrophobicContact CE2-CE2 3.79Å; Y345-F442 AromaticContact CE2-CZ 3.91Å; Y345-F442 HydrophobicContact CE2-CZ 3.91Å; Y345-F442 HydrophobicContact CG-CD2 4.3Å; Y345-F442 AromaticContact CG-CE2 3.7Å; Y345-F442 HydrophobicContact CG-CE2 3.7Å; Y345-F442 HydrophobicContact CG-CZ 4.34Å; Y345-F442 AromaticContact CZ-CE2 3.88Å; L422-F442 HydrophobicContact CD2-CE1 4.37Å; L422-F442 HydrophobicContact CD2-CZ 4.02Å; L422-F442 HydrophobicContact CG-CE1 3.97Å; L422-F442 HydrophobicContact CG-CZ 4.02Å; A423-F442 HydrophobicContact CB-CD1 4.48Å; V426-F442 HydrophobicContact CB-CD1 3.83Å; V426-F442 HydrophobicContact CB-CE1 4.19Å; V426-F442 HydrophobicContact CB-CG 4.14Å; V426-F442 HydrophobicContact CG1-CB 3.69Å; V426-F442 HydrophobicContact CG1-CD1 3.85Å; V426-F442 HydrophobicContact CG1-CD2 4.14Å; V426-F442 HydrophobicContact CG1-CG 3.62Å; V426-F442 HydrophobicContact CG2-CD1 3.98Å; V426-F442 HydrophobicContact CG2-CE1 3.84Å; V426-F442 HydrophobicContact CG2-CE2 4.46Å; V426-F442 HydrophobicContact CG2-CG 4.34Å; V426-F442 HydrophobicContact CG2-CZ 4.09Å; F442-V460 CarbonylContact O-C 3.58Å; F442-V460 WeakPolarHBondContact O-CA 3.34Å; F442-T461 HydrophobicContact CB-CG2 3.69Å; F442-T461 HydrophobicContact CD1-CG2 3.98Å; F442-T461 HydrophobicContact CG-CG2 4.31Å; F442-T461 PolarHBondContact N-O 3.43Å; F442-T461 PolarHBondContact O-N 3.01Å; F442-H512 HydrophobicContact CE2-CB 4.09Å; F442-H512 HydrophobicContact CZ-CB 4.13Å; F442-V513 CarbonylContact C-O 3.57Å; F442-V513 VanDerWaalsContact CA-O 3.29Å; F442-V513 WeakPolarHBondContact CA-O 3.46Å; F442-L514 HydrophobicContact CB-CD1 4.15Å; F442-L514 HydrophobicContact CD2-CB 4.07Å; F442-L514 HydrophobicContact CD2-CD1 4.26Å |
| 443 | L | 98.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.5 | 172.4 | 176.4 | 154.9 | 0 | 0 | 0 | 108.6 | A33 R34 F37 V460 L499 H512 V513 | A33-L443 HydrophobicContact CB-CB 4.03Å; A33-L443 HydrophobicContact CB-CD1 4.17Å; R34-L443 HydrophobicContact CB-CD1 4.41Å; R34-L443 HydrophobicContact CG-CD1 3.77Å; F37-L443 HydrophobicContact CB-CD1 4.44Å; F37-L443 HydrophobicContact CB-CD2 3.74Å; F37-L443 HydrophobicContact CD2-CD2 3.86Å; F37-L443 HydrophobicContact CG-CD2 3.96Å; L443-V460 HydrophobicContact CB-CB 4.47Å; L443-V460 HydrophobicContact CB-CG2 4.23Å; L443-L499 HydrophobicContact CD1-CD1 4.17Å; L443-L499 HydrophobicContact CD1-CD2 4.21Å; L443-L499 HydrophobicContact CD2-CD2 3.89Å; L443-L499 HydrophobicContact CG-CD2 4.17Å; L443-H512 CarbonylContact O-C 3.57Å; L443-H512 WeakPolarHBondContact O-CA 3.46Å; L443-V513 HydrophobicContact CB-CB 4.34Å; L443-V513 HydrophobicContact CD2-CG2 4.3Å; L443-V513 PolarHBondContact N-O 3.26Å; L443-V513 PolarHBondContact O-N 2.96Å |
| 444 | S | 98.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.3 | 172.5 | 162 | 0 | 0 | 0 | 0 | 107.9 | N419 G458 A459 V511 H512 | N419-S444 WeakPolarHBondContact CA-OG 3.31Å; N419-S444 VanDerWaalsContact CB-OG 3.27Å; N419-S444 WeakPolarHBondContact CB-OG 3.32Å; N419-S444 PolarHBondContact O-OG 3.46Å; N419-S444 PolarHBondContact OD1-OG 3.22Å; S444-G458 VanDerWaalsContact O-CA 3.3Å; S444-G458 WeakPolarHBondContact O-CA 3.17Å; S444-A459 PolarHBondContact N-O 3.48Å; S444-A459 VanDerWaalsContact N-O 3.16Å; S444-A459 PolarHBondContact O-N 3.47Å; S444-A459 VanDerWaalsContact O-N 3.15Å; S444-V511 WeakPolarHBondContact CA-O 3.23Å; S444-H512 PolarHBondContact OG-CD2 3.21Å |
| 445 | G | 98.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 143.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F37 N419 A457 D510 V511 | F37-G445 WeakPolarHBondContact CE2-O 3.39Å; N419-G445 PolarHBondContact OD1-N 2.93Å; G445-A457 CarbonylContact C-O 3.4Å; G445-A457 WeakPolarHBondContact CA-O 3.26Å; G445-D510 CarbonylContact O-C 3.52Å; G445-D510 VanDerWaalsContact O-CA 3.31Å; G445-D510 WeakPolarHBondContact O-CA 3.31Å; G445-V511 PolarHBondContact N-O 3.46Å; G445-V511 PolarHBondContact O-N 3.45Å |
| 446 | G | 98.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N419 D448 G449 A457 D510 | N419-G446 PolarHBondContact ND2-N 3.28Å; G446-D448 PolarHBondContact O-N 3.11Å; G446-G449 PolarHBondContact O-N 2.95Å; G446-G449 VanDerWaalsContact O-N 3.08Å; G446-A457 PolarHBondContact N-O 2.92Å; G446-D510 WeakPolarHBondContact CA-OD1 3.34Å |
| 447 | T | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.7 | -177.7 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | V41 G449 T504 T506 V508 M509 V511 | V41-T447 HydrophobicContact CG2-CG2 4.15Å; T447-G449 PolarHBondContact O-N 3.42Å; T447-T504 VanDerWaalsContact O-CB 3.24Å; T447-T504 WeakPolarHBondContact O-CB 3.37Å; T447-T504 WeakPolarHBondContact O-CG2 3.37Å; T447-T504 PolarHBondContact O-OG1 3.34Å; T447-T506 CarbonylContact C-O 3.58Å; T447-V508 HydrophobicContact CG2-CG2 3.86Å; T447-V508 PolarHBondContact OG1-N 2.79Å; T447-M509 WeakPolarHBondContact CB-O 3.35Å; T447-M509 VanDerWaalsContact CG2-O 3.31Å; T447-M509 WeakPolarHBondContact CG2-O 3.39Å; T447-M509 PolarHBondContact N-O 3.3Å; T447-M509 PolarHBondContact OG1-N 3.43Å; T447-M509 PolarHBondContact OG1-O 2.71Å; T447-V511 HydrophobicContact CG2-CG2 3.68Å |
| 448 | D | 94.6 | Very high | 94 | Very high | 52 Ų | 52 | 28.6 Ų | 28.6 | 28% | 0.278 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.7 | 171.1 | 66.9 | -4.1 | 0 | 0 | 0 | 114.4 | G446 Q450 T504 T506 N507 | G446-D448 PolarHBondContact O-N 3.11Å; D448-Q450 VanDerWaalsContact C-N 3.3Å; D448-Q450 PolarHBondContact OD1-N 3.44Å; D448-Q450 VanDerWaalsContact OD1-N 3.07Å; D448-T504 WeakPolarHBondContact CA-OG1 3.24Å; D448-T504 PolarHBondContact O-OG1 2.9Å; D448-T506 WeakPolarHBondContact CA-O 3.35Å; D448-T506 PolarHBondContact N-O 2.94Å; D448-N507 HydrophobicContact CB-CB 4.05Å |
| 449 | G | 95.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 83.6 | 4.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | G446 T447 A457 | G446-G449 PolarHBondContact O-N 2.95Å; G446-G449 VanDerWaalsContact O-N 3.08Å; T447-G449 PolarHBondContact O-N 3.42Å; G449-A457 PolarHBondContact O-N 3.27Å |
| 450 | Q | 94.7 | Very high | 96.4 | Very high | 96 Ų | 96 | 21.1 Ų | 21.1 | 45% | 0.449 | 12% | 0.122 | S | C | . | . | trans | -134.5 | 153.8 | -178.7 | -65.3 | 178.5 | 33.1 | 0 | 0 | 111.2 | D448 A456 | D448-Q450 VanDerWaalsContact C-N 3.3Å; D448-Q450 PolarHBondContact OD1-N 3.44Å; D448-Q450 VanDerWaalsContact OD1-N 3.07Å; Q450-A456 CarbonylContact C-O 3.59Å; Q450-A456 VanDerWaalsContact C-O 3.31Å; Q450-A456 WeakPolarHBondContact CA-O 3.37Å | ||
| 451 | D | 97.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | trans | -141.7 | 112 | 176.5 | 177.7 | 49.5 | 0 | 0 | 0 | 109.4 | G417 R418 N419 Q420 T454 A456 A457 | G417-D451 VanDerWaalsContact C-OD1 3.31Å; G417-D451 VanDerWaalsContact CA-CG 3.42Å; G417-D451 WeakPolarHBondContact CA-OD1 3.29Å; G417-D451 WeakPolarHBondContact CA-OD2 3.44Å; R418-D451 WeakPolarHBondContact CG-OD1 3.49Å; R418-D451 PolarHBondContact N-OD1 3.44Å; N419-D451 HydrophobicContact CB-CB 4.24Å; N419-D451 PolarHBondContact N-OD1 2.73Å; N419-D451 PolarHBondContact N-OD2 3.47Å; N419-D451 VanDerWaalsContact N-OD2 3.15Å; N419-D451 PolarHBondContact ND2-OD1 3.06Å; Q420-D451 WeakPolarHBondContact CB-OD2 3.49Å; Q420-D451 VanDerWaalsContact CG-OD2 3.26Å; Q420-D451 WeakPolarHBondContact CG-OD2 3.29Å; Q420-D451 PolarHBondContact N-OD2 3.47Å; Q420-D451 PolarHBondContact NE2-O 3.32Å; Q420-D451 PolarHBondContact NE2-OD2 3.42Å; D451-T454 WeakPolarHBondContact O-CB 3.29Å; D451-T454 WeakPolarHBondContact O-CG2 3.22Å; D451-T454 PolarHBondContact O-OG1 2.86Å; D451-A456 WeakPolarHBondContact CB-O 3.24Å; D451-A456 PolarHBondContact N-O 2.65Å; D451-A457 WeakPolarHBondContact CB-O 3.47Å | ||
| 452 | G | 93.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 22.8 Ų | 22.8 | 44% | 0.443 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 60 | -154.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T454 | G452-T454 PolarHBondContact O-N 3.39Š|
| 453 | P | 94.4 | Very high | 96.2 | Very high | 96 Ų | 96 | 24 Ų | 24 | 62% | 0.623 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -81.3 | 53.2 | 177.3 | 34.6 | -35.2 | 0 | 0 | 0 | 111.5 | R415 G416 | R415-P453 HydrophobicContact CG-CG 4.38Å; R415-P453 PolarHBondContact NE-O 3Å; R415-P453 PolarHBondContact NH2-O 2.85Å; G416-P453 WeakPolarHBondContact O-CD 3.41Å |
| 454 | T | 95.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -132.3 | 160 | -174.3 | 81 | 0 | 0 | 0 | 0 | 113 | R415 Q420 D451 G452 A456 Y486 | R415-T454 HydrophobicContact CG-CG2 3.96Å; Q420-T454 PolarHBondContact NE2-OG1 2.8Å; D451-T454 WeakPolarHBondContact O-CB 3.29Å; D451-T454 WeakPolarHBondContact O-CG2 3.22Å; D451-T454 PolarHBondContact O-OG1 2.86Å; G452-T454 PolarHBondContact O-N 3.39Å; T454-A456 VanDerWaalsContact C-N 3.25Å; T454-A456 PolarHBondContact OG1-N 3.44Å; T454-A456 PolarHBondContact OG1-O 2.9Å; T454-A456 VanDerWaalsContact OG1-O 3.13Å; T454-Y486 VanDerWaalsContact CB-CD2 3.5Å; T454-Y486 HydrophobicContact CG2-CD2 3.63Å; T454-Y486 HydrophobicContact CG2-CE2 4.35Å; T454-Y486 HydrophobicContact CG2-CG 3.71Å |
| 455 | E | 93.4 | Very high | 95.5 | Very high | 136 Ų | 136 | 25.5 Ų | 25.5 | 64% | 0.636 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -81.7 | -5.8 | 176.1 | -55.7 | -61.9 | 155.4 | 0 | 0 | 112.6 | ||
| 456 | A | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | trans | -96.7 | 141.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q450 D451 T454 G458 Y486 L498 L499 | Q450-A456 CarbonylContact C-O 3.59Å; Q450-A456 VanDerWaalsContact C-O 3.31Å; Q450-A456 WeakPolarHBondContact CA-O 3.37Å; D451-A456 WeakPolarHBondContact CB-O 3.24Å; D451-A456 PolarHBondContact N-O 2.65Å; T454-A456 VanDerWaalsContact C-N 3.25Å; T454-A456 PolarHBondContact OG1-N 3.44Å; T454-A456 PolarHBondContact OG1-O 2.9Å; T454-A456 VanDerWaalsContact OG1-O 3.13Å; A456-G458 PolarHBondContact O-N 3.24Å; A456-Y486 HydrophobicContact CB-CD2 4.35Å; A456-Y486 HydrophobicContact CB-CE2 4.15Å; A456-L498 HydrophobicContact CB-CB 4.34Å; A456-L498 HydrophobicContact CB-CD2 3.86Å; A456-L499 CarbonylContact C-O 3.51Å; A456-L499 WeakPolarHBondContact CA-O 3.29Å | ||
| 457 | A | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -73.6 | -17.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | F37 G445 G446 G449 D451 L499 P501 | F37-A457 HydrophobicContact CZ-CB 4.47Å; G445-A457 CarbonylContact C-O 3.4Å; G445-A457 WeakPolarHBondContact CA-O 3.26Å; G446-A457 PolarHBondContact N-O 2.92Å; G449-A457 PolarHBondContact O-N 3.27Å; D451-A457 WeakPolarHBondContact CB-O 3.47Å; A457-L499 HydrophobicContact CB-CD2 4.21Å; A457-L499 HydrophobicContact CB-CG 4.2Å; A457-L499 PolarHBondContact N-O 3.31Å; A457-P501 HydrophobicContact CB-CG 3.76Å |
| 458 | G | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.8 | -153.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S444 A456 L499 | S444-G458 VanDerWaalsContact O-CA 3.3Å; S444-G458 WeakPolarHBondContact O-CA 3.17Å; A456-G458 PolarHBondContact O-N 3.24Å; G458-L499 PolarHBondContact O-N 3.16Å |
| 459 | A | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 163.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q420 A423 S444 F489 R497 | Q420-A459 HydrophobicContact CG-CB 4.37Å; A423-A459 HydrophobicContact CB-CB 3.93Å; S444-A459 PolarHBondContact N-O 3.48Å; S444-A459 VanDerWaalsContact N-O 3.16Å; S444-A459 PolarHBondContact O-N 3.47Å; S444-A459 VanDerWaalsContact O-N 3.15Å; A459-F489 HydrophobicContact CB-CD1 4.09Å; A459-F489 HydrophobicContact CB-CD2 3.73Å; A459-F489 HydrophobicContact CB-CE1 3.92Å; A459-F489 HydrophobicContact CB-CE2 3.58Å; A459-F489 HydrophobicContact CB-CG 4Å; A459-F489 HydrophobicContact CB-CZ 3.67Å; A459-R497 CarbonylContact C-O 3.58Å; A459-R497 VanDerWaalsContact CA-O 3.27Å; A459-R497 WeakPolarHBondContact CA-O 3.48Å; A459-R497 WeakPolarHBondContact CB-O 3.35Å |
| 460 | V | 98.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 145.9 | 171.5 | 69.7 | 0 | 0 | 0 | 0 | 110.5 | D30 V441 F442 L443 R497 | D30-V460 WeakPolarHBondContact OD1-CG1 3.39Å; D30-V460 WeakPolarHBondContact OD1-CG2 3.3Å; V441-V460 HydrophobicContact CG1-CG2 3.65Å; F442-V460 CarbonylContact O-C 3.58Å; F442-V460 WeakPolarHBondContact O-CA 3.34Å; L443-V460 HydrophobicContact CB-CB 4.47Å; L443-V460 HydrophobicContact CB-CG2 4.23Å; V460-R497 HydrophobicContact CG1-CB 4.08Å; V460-R497 HydrophobicContact CG1-CG 4.27Å; V460-R497 WeakPolarHBondContact CG1-O 3.26Å; V460-R497 PolarHBondContact N-O 2.84Å |
| 461 | T | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.1 | -179.2 | -164.4 | 0 | 0 | 0 | 0 | 110.9 | A423 V426 G427 V441 F442 L465 | A423-T461 HydrophobicContact CB-CG2 4.47Å; A423-T461 VanDerWaalsContact O-CB 3.31Å; A423-T461 WeakPolarHBondContact O-CB 3.21Å; A423-T461 WeakPolarHBondContact O-CG2 3.29Å; A423-T461 PolarHBondContact O-OG1 3.47Å; V426-T461 HydrophobicContact CB-CG2 4.3Å; V426-T461 HydrophobicContact CG1-CG2 4.26Å; G427-T461 VanDerWaalsContact CA-OG1 3.23Å; G427-T461 WeakPolarHBondContact CA-OG1 3.35Å; V441-T461 WeakPolarHBondContact CA-O 3.27Å; F442-T461 HydrophobicContact CB-CG2 3.69Å; F442-T461 HydrophobicContact CD1-CG2 3.98Å; F442-T461 HydrophobicContact CG-CG2 4.31Å; F442-T461 PolarHBondContact N-O 3.43Å; F442-T461 PolarHBondContact O-N 3.01Å; T461-L465 WeakPolarHBondContact OG1-CD2 3.48Å |
| 462 | D | 93.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 23% | 0.225 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | -178 | 172.7 | 54.4 | 46.2 | 0 | 0 | 0 | 108.6 | V441 G464 L465 R497 | V441-D462 HydrophobicContact CG2-CB 4.16Å; D462-G464 PolarHBondContact O-N 3.21Å; D462-G464 VanDerWaalsContact OD1-CA 3.27Å; D462-G464 WeakPolarHBondContact OD1-CA 3.43Å; D462-G464 PolarHBondContact OD1-N 3.43Å; D462-L465 WeakPolarHBondContact O-CB 3.49Å; D462-L465 PolarHBondContact O-N 3.15Å; D462-L465 PolarHBondContact OD1-N 3.26Å; D462-R497 IonicContact OD1-CZ 3.6Å; D462-R497 IonicContact OD1-NH1 3.85Å; D462-R497 PolarHBondContact OD1-NH1 3.37Å; D462-R497 IonicContact OD1-NH2 2.89Å; D462-R497 PolarHBondContact OD1-NH2 2.95Å; D462-R497 IonicContact OD2-CZ 3.93Å; D462-R497 IonicContact OD2-NH1 3.5Å; D462-R497 PolarHBondContact OD2-NH1 3.48Å; D462-R497 IonicContact OD2-NH2 3.78Å; D462-R497 PolarHBondContact OD2-NH2 2.98Å |
| 463 | A | 88.6 | Confident | 95.1 | Very high | 24 Ų | 24 | 46.9 Ų | 46.9 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L430 L435 L465 | L430-A463 HydrophobicContact CB-CB 4.21Å; L435-A463 HydrophobicContact CD1-CB 3.03Å; A463-L465 VanDerWaalsContact C-N 3.33Å |
| 464 | G | 90.4 | Very high | 95.3 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -14.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D462 Y466 D467 E468 | D462-G464 PolarHBondContact O-N 3.21Å; D462-G464 VanDerWaalsContact OD1-CA 3.27Å; D462-G464 WeakPolarHBondContact OD1-CA 3.43Å; D462-G464 PolarHBondContact OD1-N 3.43Å; G464-Y466 VanDerWaalsContact C-N 3.3Å; G464-Y466 PolarHBondContact O-N 2.88Å; G464-D467 PolarHBondContact O-N 3.3Å; G464-E468 WeakPolarHBondContact O-CB 3.41Å; G464-E468 PolarHBondContact O-N 3.35Å |
| 465 | L | 93.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -49.2 | -47.8 | -175.6 | -173.4 | 86.2 | 0 | 0 | 0 | 113.1 | L424 T461 D462 A463 A469 F488 F489 L492 | L424-L465 HydrophobicContact CD1-CD2 3.64Å; T461-L465 WeakPolarHBondContact OG1-CD2 3.48Å; D462-L465 WeakPolarHBondContact O-CB 3.49Å; D462-L465 PolarHBondContact O-N 3.15Å; D462-L465 PolarHBondContact OD1-N 3.26Å; A463-L465 VanDerWaalsContact C-N 3.33Å; L465-A469 VanDerWaalsContact O-CB 3.29Å; L465-A469 WeakPolarHBondContact O-CB 3.44Å; L465-A469 PolarHBondContact O-N 3.45Å; L465-F488 HydrophobicContact CD1-CE1 4.25Å; L465-F488 HydrophobicContact CG-CZ 4.5Å; L465-F489 HydrophobicContact CD1-CE1 3.89Å; L465-F489 HydrophobicContact CD1-CZ 4.5Å; L465-L492 HydrophobicContact CD1-CD2 3.42Å; L465-L492 VanDerWaalsContact CD1-CD2 3.42Å; L465-L492 HydrophobicContact CG-CD2 4.34Å |
| 466 | Y | 92.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 41.6 Ų | 41.6 | 25% | 0.247 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -47.3 | -174.9 | -177.5 | -90.5 | 0 | 0 | 0 | 112.1 | L428 G464 E468 A469 R470 I476 | L428-Y466 HydrophobicContact CD2-CD2 3.81Å; L428-Y466 HydrophobicContact CD2-CE2 4.5Å; G464-Y466 VanDerWaalsContact C-N 3.3Å; G464-Y466 PolarHBondContact O-N 2.88Å; Y466-E468 VanDerWaalsContact C-N 3.32Å; Y466-A469 PolarHBondContact O-N 3.14Å; Y466-R470 WeakPolarHBondContact O-CB 3.17Å; Y466-R470 PolarHBondContact O-N 3.26Å; Y466-I476 HydrophobicContact CD2-CD1 3.88Å |
| 467 | D | 92.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 46.9 Ų | 46.9 | 56% | 0.556 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.7 | -36.5 | -178.6 | -69 | -32.2 | 0 | 0 | 0 | 111 | G464 R470 A471 | G464-D467 PolarHBondContact O-N 3.3Å; D467-R470 PolarHBondContact O-N 3.03Å; D467-A471 WeakPolarHBondContact O-CB 3.01Å; D467-A471 PolarHBondContact O-N 3.41Å |
| 468 | E | 94.1 | Very high | 95.4 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 174.3 | -172.3 | 178.2 | -162.3 | 0 | 0 | 112.2 | G464 Y466 R470 A471 Q472 L492 S493 R497 | G464-E468 WeakPolarHBondContact O-CB 3.41Å; G464-E468 PolarHBondContact O-N 3.35Å; Y466-E468 VanDerWaalsContact C-N 3.32Å; E468-R470 VanDerWaalsContact C-N 3.3Å; E468-R470 PolarHBondContact O-N 3.47Å; E468-A471 PolarHBondContact O-N 2.91Å; E468-Q472 WeakPolarHBondContact O-CG 3.07Å; E468-Q472 PolarHBondContact O-N 2.89Å; E468-Q472 PolarHBondContact OE1-NE2 3.29Å; E468-L492 HydrophobicContact CB-CD1 4.28Å; E468-L492 HydrophobicContact CG-CD1 3.76Å; E468-S493 WeakPolarHBondContact OE1-CB 3.48Å; E468-S493 PolarHBondContact OE1-OG 3.04Å; E468-R497 IonicContact OE2-CZ 3.8Å; E468-R497 VanDerWaalsContact OE2-CZ 3.22Å; E468-R497 IonicContact OE2-NE 2.71Å; E468-R497 PolarHBondContact OE2-NE 3.27Å; E468-R497 IonicContact OE2-NH2 2.65Å; E468-R497 PolarHBondContact OE2-NH2 3.48Å |
| 469 | A | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L465 Y466 A471 Q472 G473 L474 I476 F488 L492 | L465-A469 VanDerWaalsContact O-CB 3.29Å; L465-A469 WeakPolarHBondContact O-CB 3.44Å; L465-A469 PolarHBondContact O-N 3.45Å; Y466-A469 PolarHBondContact O-N 3.14Å; A469-A471 PolarHBondContact O-N 3.16Å; A469-Q472 CarbonylContact O-C 3.58Å; A469-Q472 PolarHBondContact O-N 3.23Å; A469-G473 PolarHBondContact O-N 3.18Å; A469-G473 VanDerWaalsContact O-N 3.09Å; A469-L474 HydrophobicContact CB-CB 4.21Å; A469-L474 PolarHBondContact O-N 3.14Å; A469-I476 HydrophobicContact CB-CD1 3.84Å; A469-I476 HydrophobicContact CB-CG1 4Å; A469-F488 HydrophobicContact CB-CE2 3.82Å; A469-F488 HydrophobicContact CB-CZ 3.88Å; A469-L492 HydrophobicContact CB-CD1 4.14Å |
| 470 | R | 94.9 | Very high | 95.3 | Very high | 181 Ų | 181 | 51.5 Ų | 51.5 | 68% | 0.683 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 176.9 | -173.1 | -178.9 | 179.8 | -166.9 | 0.7 | 111.9 | Y466 D467 E468 Q472 G473 | Y466-R470 WeakPolarHBondContact O-CB 3.17Å; Y466-R470 PolarHBondContact O-N 3.26Å; D467-R470 PolarHBondContact O-N 3.03Å; E468-R470 VanDerWaalsContact C-N 3.3Å; E468-R470 PolarHBondContact O-N 3.47Å; R470-Q472 PolarHBondContact O-N 2.73Å; R470-G473 PolarHBondContact O-N 3.39Å; R470-G473 VanDerWaalsContact O-N 3.1Å |
| 471 | A | 96.8 | Very high | 95.2 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 74% | 0.744 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.9 | -30 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D467 E468 A469 | D467-A471 WeakPolarHBondContact O-CB 3.01Å; D467-A471 PolarHBondContact O-N 3.41Å; E468-A471 PolarHBondContact O-N 2.91Å; A469-A471 PolarHBondContact O-N 3.16Å |
| 472 | Q | 97.7 | Very high | 95.3 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 40% | 0.397 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.6 | 176.4 | -62.9 | -179.5 | 37.3 | 0 | 0 | 113.5 | E468 A469 R470 L474 R491 | E468-Q472 WeakPolarHBondContact O-CG 3.07Å; E468-Q472 PolarHBondContact O-N 2.89Å; E468-Q472 PolarHBondContact OE1-NE2 3.29Å; A469-Q472 CarbonylContact O-C 3.58Å; A469-Q472 PolarHBondContact O-N 3.23Å; R470-Q472 PolarHBondContact O-N 2.73Å; Q472-L474 VanDerWaalsContact C-N 3.32Å; Q472-L474 HydrophobicContact CB-CD1 4.4Å; Q472-L474 HydrophobicContact CB-CG 4.29Å; Q472-L474 PolarHBondContact O-N 3.45Å; Q472-R491 PolarHBondContact OE1-O 3.46Å |
| 473 | G | 97.3 | Very high | 95.5 | Very high | 67 Ų | 67 | 56.2 Ų | 56.2 | 69% | 0.691 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 24.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A469 R470 | A469-G473 PolarHBondContact O-N 3.18Å; A469-G473 VanDerWaalsContact O-N 3.09Å; R470-G473 PolarHBondContact O-N 3.39Å; R470-G473 VanDerWaalsContact O-N 3.1Å |
| 474 | L | 97.6 | Very high | 96 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | trans | -91.9 | 122.9 | 177.9 | -59.8 | 175.9 | 0 | 0 | 0 | 110.4 | A469 Q472 I476 F479 F488 R491 L492 | A469-L474 HydrophobicContact CB-CB 4.21Å; A469-L474 PolarHBondContact O-N 3.14Å; Q472-L474 VanDerWaalsContact C-N 3.32Å; Q472-L474 HydrophobicContact CB-CD1 4.4Å; Q472-L474 HydrophobicContact CB-CG 4.29Å; Q472-L474 PolarHBondContact O-N 3.45Å; L474-I476 PolarHBondContact O-N 3.32Å; L474-F479 HydrophobicContact CB-CE2 4.2Å; L474-F479 HydrophobicContact CD2-CE2 4.04Å; L474-F479 HydrophobicContact CD2-CZ 4.18Å; L474-F488 HydrophobicContact CB-CD2 4.24Å; L474-F488 HydrophobicContact CB-CE2 4Å; L474-F488 HydrophobicContact CD1-CD2 4.26Å; L474-F488 HydrophobicContact CD1-CE2 4.16Å; L474-R491 HydrophobicContact CD1-CB 4.09Å; L474-R491 HydrophobicContact CD2-CB 3.96Å; L474-L492 HydrophobicContact CD1-CB 3.87Å; L474-L492 HydrophobicContact CD1-CD1 4Å | ||
| 475 | D | 96.9 | Very high | 96.3 | Very high | 93 Ų | 93 | 54.7 Ų | 54.7 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | trans | -90.4 | 97.9 | 176.1 | 178 | 14.1 | 0 | 0 | 0 | 111.2 | D477 S478 F479 | D475-D477 VanDerWaalsContact C-N 3.27Å; D475-D477 PolarHBondContact O-N 3.41Å; D475-D477 PolarHBondContact OD1-N 2.86Å; D475-S478 WeakPolarHBondContact O-CB 2.96Å; D475-S478 PolarHBondContact O-N 2.81Å; D475-S478 VanDerWaalsContact OD2-CB 3.29Å; D475-S478 WeakPolarHBondContact OD2-CB 3.49Å; D475-F479 WeakPolarHBondContact O-CD2 3.31Å; D475-F479 PolarHBondContact O-N 3.46Å | ||
| 476 | I | 96.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.5 | -40.7 | -177.3 | -66.7 | 170.4 | 0 | 0 | 0 | 112.1 | L424 L428 Y466 A469 L474 S478 F479 L480 F488 | L424-I476 HydrophobicContact CD1-CD1 4.42Å; L424-I476 HydrophobicContact CD1-CG1 4.27Å; L424-I476 HydrophobicContact CD1-CG2 3.69Å; L424-I476 HydrophobicContact CD2-CG2 4.26Å; L424-I476 HydrophobicContact CG-CG2 4.05Å; L428-I476 HydrophobicContact CD1-CG2 3.91Å; L428-I476 HydrophobicContact CD2-CD1 3.93Å; L428-I476 HydrophobicContact CD2-CG2 4.08Å; L428-I476 HydrophobicContact CG-CG2 4.31Å; Y466-I476 HydrophobicContact CD2-CD1 3.88Å; A469-I476 HydrophobicContact CB-CD1 3.84Å; A469-I476 HydrophobicContact CB-CG1 4Å; L474-I476 PolarHBondContact O-N 3.32Å; I476-S478 VanDerWaalsContact C-N 3.34Å; I476-S478 PolarHBondContact O-N 3.42Å; I476-F479 PolarHBondContact O-N 3.41Å; I476-L480 HydrophobicContact CG2-CD1 3.83Å; I476-L480 HydrophobicContact CG2-CG 4.2Å; I476-L480 PolarHBondContact O-N 3.16Å; I476-F488 HydrophobicContact CD1-CE2 4.41Å; I476-F488 HydrophobicContact CD1-CZ 4.25Å; I476-F488 HydrophobicContact CG1-CD2 4.45Å; I476-F488 HydrophobicContact CG1-CE2 3.54Å; I476-F488 HydrophobicContact CG1-CZ 3.82Å |
| 477 | D | 96.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 60% | 0.599 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.5 | -38.1 | -175.9 | -69.6 | -35.6 | 0 | 0 | 0 | 111 | D475 L480 S481 | D475-D477 VanDerWaalsContact C-N 3.27Å; D475-D477 PolarHBondContact O-N 3.41Å; D475-D477 PolarHBondContact OD1-N 2.86Å; D477-L480 PolarHBondContact O-N 3.15Å; D477-S481 WeakPolarHBondContact O-CB 3.27Å; D477-S481 PolarHBondContact O-N 3.11Å; D477-S481 PolarHBondContact O-OG 3.08Å |
| 478 | S | 97.1 | Very high | 97.2 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 44% | 0.441 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 172.5 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | D475 I476 L480 S481 N482 | D475-S478 WeakPolarHBondContact O-CB 2.96Å; D475-S478 PolarHBondContact O-N 2.81Å; D475-S478 VanDerWaalsContact OD2-CB 3.29Å; D475-S478 WeakPolarHBondContact OD2-CB 3.49Å; I476-S478 VanDerWaalsContact C-N 3.34Å; I476-S478 PolarHBondContact O-N 3.42Å; S478-L480 PolarHBondContact O-N 3.45Å; S478-S481 PolarHBondContact O-N 3.4Å; S478-S481 PolarHBondContact O-OG 3.47Å; S478-N482 WeakPolarHBondContact O-CB 3.47Å; S478-N482 PolarHBondContact O-N 3.03Å; S478-N482 VanDerWaalsContact O-N 3.14Å |
| 479 | F | 98 | Very high | 97.4 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 178.4 | -72.7 | -77.1 | 0 | 0 | 0 | 112.6 | L474 D475 I476 N482 N483 D484 T487 F488 | L474-F479 HydrophobicContact CB-CE2 4.2Å; L474-F479 HydrophobicContact CD2-CE2 4.04Å; L474-F479 HydrophobicContact CD2-CZ 4.18Å; D475-F479 WeakPolarHBondContact O-CD2 3.31Å; D475-F479 PolarHBondContact O-N 3.46Å; I476-F479 PolarHBondContact O-N 3.41Å; F479-N482 PolarHBondContact O-N 3.1Å; F479-N483 PolarHBondContact O-N 3.07Å; F479-N483 VanDerWaalsContact O-N 3.16Å; F479-D484 HydrophobicContact CD1-CB 3.94Å; F479-D484 WeakPolarHBondContact CD1-O 3.39Å; F479-D484 PolarHBondContact O-N 2.85Å; F479-T487 HydrophobicContact CE1-CG2 3.99Å; F479-F488 HydrophobicContact CB-CB 4.01Å; F479-F488 HydrophobicContact CB-CD2 4.49Å; F479-F488 HydrophobicContact CD1-CB 3.83Å; F479-F488 HydrophobicContact CD2-CB 4.06Å; F479-F488 AromaticContact CD2-CD2 3.64Å; F479-F488 HydrophobicContact CD2-CD2 3.64Å; F479-F488 HydrophobicContact CD2-CG 4.31Å; F479-F488 HydrophobicContact CE1-CB 4.33Å; F479-F488 HydrophobicContact CE2-CD2 4.06Å; F479-F488 HydrophobicContact CG-CB 3.71Å; F479-F488 HydrophobicContact CG-CD2 4.12Å; F479-F488 HydrophobicContact CG-CG 4.36Å |
| 480 | L | 97.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.1 | -77 | 175.6 | 0 | 0 | 0 | 112.2 | E421 L424 R425 L428 I476 D477 S478 N482 N483 | E421-L480 HydrophobicContact CG-CD2 3.69Å; L424-L480 HydrophobicContact CB-CD2 4.38Å; L424-L480 HydrophobicContact CD2-CD2 3.58Å; L424-L480 HydrophobicContact CD2-CG 3.77Å; L424-L480 HydrophobicContact CG-CD1 4.43Å; L424-L480 HydrophobicContact CG-CD2 3.89Å; L424-L480 HydrophobicContact CG-CG 4.15Å; R425-L480 HydrophobicContact CG-CD1 4.37Å; R425-L480 HydrophobicContact CG-CD2 3.99Å; L428-L480 HydrophobicContact CD1-CD1 3.75Å; I476-L480 HydrophobicContact CG2-CD1 3.83Å; I476-L480 HydrophobicContact CG2-CG 4.2Å; I476-L480 PolarHBondContact O-N 3.16Å; D477-L480 PolarHBondContact O-N 3.15Å; S478-L480 PolarHBondContact O-N 3.45Å; L480-N482 PolarHBondContact O-N 2.87Å; L480-N483 PolarHBondContact O-N 3.46Å; L480-N483 VanDerWaalsContact O-N 3.17Å |
| 481 | S | 96.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 53% | 0.531 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.1 | -27.9 | 179.2 | 70 | 0 | 0 | 0 | 0 | 113.1 | T411 D477 S478 | T411-S481 PolarHBondContact OG1-O 3.24Å; T411-S481 VanDerWaalsContact OG1-O 3.11Å; D477-S481 WeakPolarHBondContact O-CB 3.27Å; D477-S481 PolarHBondContact O-N 3.11Å; D477-S481 PolarHBondContact O-OG 3.08Å; S478-S481 PolarHBondContact O-N 3.4Å; S478-S481 PolarHBondContact O-OG 3.47Å |
| 482 | N | 97.7 | Very high | 97.6 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 32% | 0.316 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.5 | 178.1 | -167 | 38.2 | 0 | 0 | 0 | 113.7 | G412 K413 G414 S478 F479 L480 D484 | G412-N482 WeakPolarHBondContact CA-O 3.48Å; K413-N482 PolarHBondContact N-O 3.15Å; K413-N482 PolarHBondContact N-OD1 2.79Å; G414-N482 WeakPolarHBondContact CA-O 3.49Å; G414-N482 PolarHBondContact N-O 3.01Å; S478-N482 WeakPolarHBondContact O-CB 3.47Å; S478-N482 PolarHBondContact O-N 3.03Å; S478-N482 VanDerWaalsContact O-N 3.14Å; F479-N482 PolarHBondContact O-N 3.1Å; L480-N482 PolarHBondContact O-N 2.87Å; N482-D484 VanDerWaalsContact C-N 3.28Å; N482-D484 HydrophobicContact CB-CB 4.27Å; N482-D484 PolarHBondContact O-N 3.18Å |
| 483 | N | 98.2 | Very high | 97.4 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 44.5 | -171.3 | -56.1 | 106.9 | 0 | 0 | 0 | 113.1 | E409 L410 T411 G412 G414 R415 E421 F479 L480 | E409-N483 PolarHBondContact O-ND2 3Å; L410-N483 HydrophobicContact CD2-CB 4.48Å; T411-N483 PolarHBondContact N-OD1 3.34Å; T411-N483 PolarHBondContact OG1-OD1 2.88Å; G412-N483 PolarHBondContact N-OD1 3.33Å; G414-N483 CarbonylContact C-O 3.48Å; G414-N483 VanDerWaalsContact C-O 3.28Å; R415-N483 CarbonylContact C-O 3.51Å; R415-N483 PolarHBondContact N-O 2.81Å; E421-N483 PolarHBondContact OE2-ND2 2.98Å; F479-N483 PolarHBondContact O-N 3.07Å; F479-N483 VanDerWaalsContact O-N 3.16Å; L480-N483 PolarHBondContact O-N 3.46Å; L480-N483 VanDerWaalsContact O-N 3.17Å |
| 484 | D | 98.3 | Very high | 97.3 | Very high | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | trans | -113.6 | 39.8 | -171.2 | -161.7 | 31.4 | 0 | 0 | 0 | 112.9 | R415 F479 N482 Y486 T487 F488 | R415-D484 PolarHBondContact N-OD1 3.48Å; R415-D484 CarbonylContact O-C 3.48Å; R415-D484 VanDerWaalsContact O-C 3.27Å; R415-D484 WeakPolarHBondContact O-CA 3.41Å; F479-D484 HydrophobicContact CD1-CB 3.94Å; F479-D484 WeakPolarHBondContact CD1-O 3.39Å; F479-D484 PolarHBondContact O-N 2.85Å; N482-D484 VanDerWaalsContact C-N 3.28Å; N482-D484 HydrophobicContact CB-CB 4.27Å; N482-D484 PolarHBondContact O-N 3.18Å; D484-Y486 VanDerWaalsContact C-N 3.28Å; D484-Y486 PolarHBondContact O-N 3.23Å; D484-T487 VanDerWaalsContact CG-CB 3.43Å; D484-T487 VanDerWaalsContact CG-OG1 3.28Å; D484-T487 PolarHBondContact O-N 3.07Å; D484-T487 VanDerWaalsContact OD1-CB 3.27Å; D484-T487 WeakPolarHBondContact OD1-CB 3.42Å; D484-T487 PolarHBondContact OD1-OG1 3.34Å; D484-T487 VanDerWaalsContact OD2-CB 3.23Å; D484-T487 WeakPolarHBondContact OD2-CB 3.48Å; D484-T487 PolarHBondContact OD2-OG1 3.43Å; D484-F488 PolarHBondContact O-N 3.08Å; D484-F488 VanDerWaalsContact O-N 3.12Å | ||
| 485 | S | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -31 | -175.9 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | R415 G416 Q420 F488 F489 | R415-S485 PolarHBondContact O-N 3.47Å; G416-S485 WeakPolarHBondContact CA-OG 3.19Å; Q420-S485 WeakPolarHBondContact CB-OG 3.42Å; S485-F488 WeakPolarHBondContact O-CB 3.39Å; S485-F488 PolarHBondContact O-N 3.46Å; S485-F489 VanDerWaalsContact O-CD2 3.25Å; S485-F489 WeakPolarHBondContact O-CD2 3.33Å; S485-F489 PolarHBondContact O-N 2.96Å |
| 486 | Y | 98.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 176.5 | -178.4 | -99.1 | 0 | 0 | 0 | 111.8 | R415 T454 A456 D484 F488 F489 S490 L498 | R415-Y486 WeakPolarHBondContact O-CB 3.17Å; R415-Y486 PolarHBondContact O-N 2.94Å; T454-Y486 VanDerWaalsContact CB-CD2 3.5Å; T454-Y486 HydrophobicContact CG2-CD2 3.63Å; T454-Y486 HydrophobicContact CG2-CE2 4.35Å; T454-Y486 HydrophobicContact CG2-CG 3.71Å; A456-Y486 HydrophobicContact CB-CD2 4.35Å; A456-Y486 HydrophobicContact CB-CE2 4.15Å; D484-Y486 VanDerWaalsContact C-N 3.28Å; D484-Y486 PolarHBondContact O-N 3.23Å; Y486-F488 VanDerWaalsContact C-N 3.29Å; Y486-F488 PolarHBondContact O-N 2.89Å; Y486-F489 PolarHBondContact O-N 3.36Å; Y486-S490 WeakPolarHBondContact CE1-OG 3.45Å; Y486-S490 VanDerWaalsContact O-CB 3.23Å; Y486-S490 WeakPolarHBondContact O-CB 3.29Å; Y486-S490 PolarHBondContact O-N 2.9Å; Y486-S490 PolarHBondContact O-OG 2.89Å; Y486-L498 HydrophobicContact CD2-CD2 4.31Å; Y486-L498 HydrophobicContact CE2-CD1 4.17Å |
| 487 | T | 98.1 | Very high | 97.1 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 178.7 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | F479 D484 R491 | F479-T487 HydrophobicContact CE1-CG2 3.99Å; D484-T487 VanDerWaalsContact CG-CB 3.43Å; D484-T487 VanDerWaalsContact CG-OG1 3.28Å; D484-T487 PolarHBondContact O-N 3.07Å; D484-T487 VanDerWaalsContact OD1-CB 3.27Å; D484-T487 WeakPolarHBondContact OD1-CB 3.42Å; D484-T487 PolarHBondContact OD1-OG1 3.34Å; D484-T487 VanDerWaalsContact OD2-CB 3.23Å; D484-T487 WeakPolarHBondContact OD2-CB 3.48Å; D484-T487 PolarHBondContact OD2-OG1 3.43Å; T487-R491 WeakPolarHBondContact O-CG 3.2Å; T487-R491 PolarHBondContact O-N 3.46Å; T487-R491 VanDerWaalsContact O-N 3.16Å |
| 488 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.4 | -58.5 | 172.7 | 172.3 | -97 | 0 | 0 | 0 | 111.5 | L424 L465 A469 L474 I476 F479 D484 S485 Y486 S490 R491 L492 | L424-F488 HydrophobicContact CD1-CD1 3.88Å; L424-F488 HydrophobicContact CD1-CE1 3.41Å; L424-F488 VanDerWaalsContact CD1-CE1 3.41Å; L424-F488 HydrophobicContact CD1-CE2 4.44Å; L424-F488 HydrophobicContact CD1-CZ 3.71Å; L424-F488 HydrophobicContact CD2-CD1 4.02Å; L424-F488 HydrophobicContact CD2-CE1 4.4Å; L424-F488 HydrophobicContact CD2-CG 4.26Å; L424-F488 HydrophobicContact CG-CE1 4.47Å; L465-F488 HydrophobicContact CD1-CE1 4.25Å; L465-F488 HydrophobicContact CG-CZ 4.5Å; A469-F488 HydrophobicContact CB-CE2 3.82Å; A469-F488 HydrophobicContact CB-CZ 3.88Å; L474-F488 HydrophobicContact CB-CD2 4.24Å; L474-F488 HydrophobicContact CB-CE2 4Å; L474-F488 HydrophobicContact CD1-CD2 4.26Å; L474-F488 HydrophobicContact CD1-CE2 4.16Å; I476-F488 HydrophobicContact CD1-CE2 4.41Å; I476-F488 HydrophobicContact CD1-CZ 4.25Å; I476-F488 HydrophobicContact CG1-CD2 4.45Å; I476-F488 HydrophobicContact CG1-CE2 3.54Å; I476-F488 HydrophobicContact CG1-CZ 3.82Å; F479-F488 HydrophobicContact CB-CB 4.01Å; F479-F488 HydrophobicContact CB-CD2 4.49Å; F479-F488 HydrophobicContact CD1-CB 3.83Å; F479-F488 HydrophobicContact CD2-CB 4.06Å; F479-F488 AromaticContact CD2-CD2 3.64Å; F479-F488 HydrophobicContact CD2-CD2 3.64Å; F479-F488 HydrophobicContact CD2-CG 4.31Å; F479-F488 HydrophobicContact CE1-CB 4.33Å; F479-F488 HydrophobicContact CE2-CD2 4.06Å; F479-F488 HydrophobicContact CG-CB 3.71Å; F479-F488 HydrophobicContact CG-CD2 4.12Å; F479-F488 HydrophobicContact CG-CG 4.36Å; D484-F488 PolarHBondContact O-N 3.08Å; D484-F488 VanDerWaalsContact O-N 3.12Å; S485-F488 WeakPolarHBondContact O-CB 3.39Å; S485-F488 PolarHBondContact O-N 3.46Å; Y486-F488 VanDerWaalsContact C-N 3.29Å; Y486-F488 PolarHBondContact O-N 2.89Å; F488-S490 VanDerWaalsContact C-N 3.33Å; F488-S490 PolarHBondContact O-N 3.4Å; F488-R491 PolarHBondContact O-N 2.85Å; F488-R491 VanDerWaalsContact O-N 3.16Å; F488-L492 HydrophobicContact CE1-CD2 3.65Å; F488-L492 HydrophobicContact CZ-CD2 3.71Å; F488-L492 WeakPolarHBondContact O-CB 3.4Å; F488-L492 PolarHBondContact O-N 3.48Å |
| 489 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.2 | -30.8 | -177.4 | -79.1 | -66.7 | 0 | 0 | 0 | 113.1 | Q420 A423 L424 A459 L465 S485 Y486 R491 L492 G495 R497 L498 | Q420-F489 HydrophobicContact CB-CD2 4.36Å; Q420-F489 HydrophobicContact CB-CE2 4.46Å; Q420-F489 WeakPolarHBondContact O-CE2 3.48Å; A423-F489 HydrophobicContact CB-CZ 4.23Å; L424-F489 HydrophobicContact CB-CE2 3.98Å; L424-F489 HydrophobicContact CB-CZ 4.13Å; A459-F489 HydrophobicContact CB-CD1 4.09Å; A459-F489 HydrophobicContact CB-CD2 3.73Å; A459-F489 HydrophobicContact CB-CE1 3.92Å; A459-F489 HydrophobicContact CB-CE2 3.58Å; A459-F489 HydrophobicContact CB-CG 4Å; A459-F489 HydrophobicContact CB-CZ 3.67Å; L465-F489 HydrophobicContact CD1-CE1 3.89Å; L465-F489 HydrophobicContact CD1-CZ 4.5Å; S485-F489 VanDerWaalsContact O-CD2 3.25Å; S485-F489 WeakPolarHBondContact O-CD2 3.33Å; S485-F489 PolarHBondContact O-N 2.96Å; Y486-F489 PolarHBondContact O-N 3.36Å; F489-R491 VanDerWaalsContact C-N 3.25Å; F489-R491 PolarHBondContact O-N 3.35Å; F489-L492 HydrophobicContact CD1-CD2 4.34Å; F489-L492 HydrophobicContact CE1-CD2 4.48Å; F489-L492 VanDerWaalsContact O-O 3.06Å; F489-G495 VanDerWaalsContact O-CA 3.27Å; F489-G495 WeakPolarHBondContact O-CA 3.03Å; F489-G495 PolarHBondContact O-N 3.04Å; F489-R497 HydrophobicContact CD1-CB 3.73Å; F489-R497 HydrophobicContact CE1-CB 4.08Å; F489-L498 HydrophobicContact CB-CD2 3.45Å; F489-L498 VanDerWaalsContact CB-CD2 3.45Å; F489-L498 HydrophobicContact CB-CG 3.84Å; F489-L498 HydrophobicContact CG-CD2 4.3Å |
| 490 | S | 98 | Very high | 97.2 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -32.9 | 174.1 | -62 | 0 | 0 | 0 | 0 | 112.2 | Y486 F488 A494 G495 | Y486-S490 WeakPolarHBondContact CE1-OG 3.45Å; Y486-S490 VanDerWaalsContact O-CB 3.23Å; Y486-S490 WeakPolarHBondContact O-CB 3.29Å; Y486-S490 PolarHBondContact O-N 2.9Å; Y486-S490 PolarHBondContact O-OG 2.89Å; F488-S490 VanDerWaalsContact C-N 3.33Å; F488-S490 PolarHBondContact O-N 3.4Å; S490-A494 CarbonylContact O-C 3.46Å; S490-G495 PolarHBondContact O-N 3.44Å |
| 491 | R | 97.8 | Very high | 97.1 | Very high | 150 Ų | 150 | 43.3 Ų | 43.3 | 57% | 0.566 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -83.5 | -43.7 | 177.3 | -69.6 | 179.5 | -172.6 | -167.2 | 6.3 | 111.6 | Q472 L474 T487 F488 F489 S493 A494 | Q472-R491 PolarHBondContact OE1-O 3.46Å; L474-R491 HydrophobicContact CD1-CB 4.09Å; L474-R491 HydrophobicContact CD2-CB 3.96Å; T487-R491 WeakPolarHBondContact O-CG 3.2Å; T487-R491 PolarHBondContact O-N 3.46Å; T487-R491 VanDerWaalsContact O-N 3.16Å; F488-R491 PolarHBondContact O-N 2.85Å; F488-R491 VanDerWaalsContact O-N 3.16Å; F489-R491 VanDerWaalsContact C-N 3.25Å; F489-R491 PolarHBondContact O-N 3.35Å; R491-S493 PolarHBondContact O-N 3.23Å; R491-A494 PolarHBondContact O-N 3.46Å |
| 492 | L | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.2 | 118.1 | -179.1 | -173.4 | 69 | 0 | 0 | 0 | 110 | L465 E468 A469 L474 F488 F489 A494 G495 | L465-L492 HydrophobicContact CD1-CD2 3.42Å; L465-L492 VanDerWaalsContact CD1-CD2 3.42Å; L465-L492 HydrophobicContact CG-CD2 4.34Å; E468-L492 HydrophobicContact CB-CD1 4.28Å; E468-L492 HydrophobicContact CG-CD1 3.76Å; A469-L492 HydrophobicContact CB-CD1 4.14Å; L474-L492 HydrophobicContact CD1-CB 3.87Å; L474-L492 HydrophobicContact CD1-CD1 4Å; F488-L492 HydrophobicContact CE1-CD2 3.65Å; F488-L492 HydrophobicContact CZ-CD2 3.71Å; F488-L492 WeakPolarHBondContact O-CB 3.4Å; F488-L492 PolarHBondContact O-N 3.48Å; F489-L492 HydrophobicContact CD1-CD2 4.34Å; F489-L492 HydrophobicContact CE1-CD2 4.48Å; F489-L492 VanDerWaalsContact O-O 3.06Å; L492-A494 PolarHBondContact O-N 2.93Å; L492-A494 VanDerWaalsContact O-N 3.1Å; L492-G495 PolarHBondContact O-N 3.07Å |
| 493 | S | 92.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | 55.1 | 33.7 | 177.8 | -23.3 | 0 | 0 | 0 | 0 | 111.9 | E468 R491 G495 E496 | E468-S493 WeakPolarHBondContact OE1-CB 3.48Å; E468-S493 PolarHBondContact OE1-OG 3.04Å; R491-S493 PolarHBondContact O-N 3.23Å; S493-G495 PolarHBondContact O-N 2.88Å; S493-G495 VanDerWaalsContact O-N 3.13Å; S493-E496 WeakPolarHBondContact O-CB 3.39Å; S493-E496 VanDerWaalsContact O-CG 3.26Å; S493-E496 WeakPolarHBondContact O-CG 3.28Å; S493-E496 PolarHBondContact O-N 3.27Å; S493-E496 VanDerWaalsContact O-N 3.13Å |
| 494 | A | 95.3 | Very high | 96.4 | Very high | 94 Ų | 94 | 40.6 Ų | 40.6 | 78% | 0.777 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | 52.7 | 33.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S490 R491 L492 | S490-A494 CarbonylContact O-C 3.46Å; R491-A494 PolarHBondContact O-N 3.46Å; L492-A494 PolarHBondContact O-N 2.93Å; L492-A494 VanDerWaalsContact O-N 3.1Å |
| 495 | G | 96.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | 88.8 | 1.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F489 S490 L492 S493 R497 L498 | F489-G495 VanDerWaalsContact O-CA 3.27Å; F489-G495 WeakPolarHBondContact O-CA 3.03Å; F489-G495 PolarHBondContact O-N 3.04Å; S490-G495 PolarHBondContact O-N 3.44Å; L492-G495 PolarHBondContact O-N 3.07Å; S493-G495 PolarHBondContact O-N 2.88Å; S493-G495 VanDerWaalsContact O-N 3.13Å; G495-R497 PolarHBondContact O-N 2.87Å; G495-R497 VanDerWaalsContact O-N 3.11Å; G495-L498 WeakPolarHBondContact O-CB 3.46Å; G495-L498 PolarHBondContact O-N 2.88Å |
| 496 | E | 95.8 | Very high | 96 | Very high | 151 Ų | 151 | 40.9 Ų | 40.9 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30 | -178.8 | -75.8 | 177.6 | -175.8 | 0 | 0 | 112.8 | R34 S493 L498 | R34-E496 PolarHBondContact NH2-O 3.34Å; S493-E496 WeakPolarHBondContact O-CB 3.39Å; S493-E496 VanDerWaalsContact O-CG 3.26Å; S493-E496 WeakPolarHBondContact O-CG 3.28Å; S493-E496 PolarHBondContact O-N 3.27Å; S493-E496 VanDerWaalsContact O-N 3.13Å; E496-L498 VanDerWaalsContact C-N 3.33Å; E496-L498 PolarHBondContact O-N 3.48Å |
| 497 | R | 96.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 40 Ų | 40 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.9 | 178.5 | -68.3 | -172.9 | -179.7 | -104 | 11.2 | 114.3 | A459 V460 D462 E468 F489 G495 | A459-R497 CarbonylContact C-O 3.58Å; A459-R497 VanDerWaalsContact CA-O 3.27Å; A459-R497 WeakPolarHBondContact CA-O 3.48Å; A459-R497 WeakPolarHBondContact CB-O 3.35Å; V460-R497 HydrophobicContact CG1-CB 4.08Å; V460-R497 HydrophobicContact CG1-CG 4.27Å; V460-R497 WeakPolarHBondContact CG1-O 3.26Å; V460-R497 PolarHBondContact N-O 2.84Å; D462-R497 IonicContact OD1-CZ 3.6Å; D462-R497 IonicContact OD1-NH1 3.85Å; D462-R497 PolarHBondContact OD1-NH1 3.37Å; D462-R497 IonicContact OD1-NH2 2.89Å; D462-R497 PolarHBondContact OD1-NH2 2.95Å; D462-R497 IonicContact OD2-CZ 3.93Å; D462-R497 IonicContact OD2-NH1 3.5Å; D462-R497 PolarHBondContact OD2-NH1 3.48Å; D462-R497 IonicContact OD2-NH2 3.78Å; D462-R497 PolarHBondContact OD2-NH2 2.98Å; E468-R497 IonicContact OE2-CZ 3.8Å; E468-R497 VanDerWaalsContact OE2-CZ 3.22Å; E468-R497 IonicContact OE2-NE 2.71Å; E468-R497 PolarHBondContact OE2-NE 3.27Å; E468-R497 IonicContact OE2-NH2 2.65Å; E468-R497 PolarHBondContact OE2-NH2 3.48Å; F489-R497 HydrophobicContact CD1-CB 3.73Å; F489-R497 HydrophobicContact CE1-CB 4.08Å; G495-R497 PolarHBondContact O-N 2.87Å; G495-R497 VanDerWaalsContact O-N 3.11Å |
| 498 | L | 98.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 141.8 | 173.2 | -70.3 | 170.7 | 0 | 0 | 0 | 110.8 | R34 A456 Y486 F489 G495 E496 | R34-L498 PolarHBondContact NH1-O 2.96Å; R34-L498 PolarHBondContact NH2-O 3.16Å; A456-L498 HydrophobicContact CB-CB 4.34Å; A456-L498 HydrophobicContact CB-CD2 3.86Å; Y486-L498 HydrophobicContact CD2-CD2 4.31Å; Y486-L498 HydrophobicContact CE2-CD1 4.17Å; F489-L498 HydrophobicContact CB-CD2 3.45Å; F489-L498 VanDerWaalsContact CB-CD2 3.45Å; F489-L498 HydrophobicContact CB-CG 3.84Å; F489-L498 HydrophobicContact CG-CD2 4.3Å; G495-L498 WeakPolarHBondContact O-CB 3.46Å; G495-L498 PolarHBondContact O-N 2.88Å; E496-L498 VanDerWaalsContact C-N 3.33Å; E496-L498 PolarHBondContact O-N 3.48Å |
| 499 | L | 98.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 107.2 | 170.2 | -178.5 | 63.2 | 0 | 0 | 0 | 108.5 | R34 F37 L443 A456 A457 G458 P501 | R34-L499 HydrophobicContact CG-CD1 4.22Å; F37-L499 HydrophobicContact CD1-CD1 4.18Å; F37-L499 HydrophobicContact CD1-CD2 3.78Å; F37-L499 HydrophobicContact CD1-CG 4.37Å; F37-L499 HydrophobicContact CD2-CD2 4.15Å; F37-L499 HydrophobicContact CE1-CD2 3.77Å; F37-L499 HydrophobicContact CE1-CG 4.34Å; F37-L499 HydrophobicContact CE2-CD2 4.16Å; F37-L499 HydrophobicContact CG-CD2 3.97Å; F37-L499 HydrophobicContact CZ-CD2 3.96Å; L443-L499 HydrophobicContact CD1-CD1 4.17Å; L443-L499 HydrophobicContact CD1-CD2 4.21Å; L443-L499 HydrophobicContact CD2-CD2 3.89Å; L443-L499 HydrophobicContact CG-CD2 4.17Å; A456-L499 CarbonylContact C-O 3.51Å; A456-L499 WeakPolarHBondContact CA-O 3.29Å; A457-L499 HydrophobicContact CB-CD2 4.21Å; A457-L499 HydrophobicContact CB-CG 4.2Å; A457-L499 PolarHBondContact N-O 3.31Å; G458-L499 PolarHBondContact O-N 3.16Å; L499-P501 WeakPolarHBondContact O-CD 3.28Å |
| 500 | A | 96.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 38.5 Ų | 38.5 | 59% | 0.587 | 24% | 0.235 | S | C | * | . | trans | -125.3 | 75.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | G502 | A500-G502 PolarHBondContact O-N 3.26Š| ||
| 501 | P | 94.5 | Very high | 95.7 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | trans | -73.9 | -9.3 | 179.4 | 33.5 | -36.6 | 0 | 0 | 0 | 112.9 | F37 A457 L499 T504 | F37-P501 HydrophobicContact CE1-CG 4.22Å; A457-P501 HydrophobicContact CB-CG 3.76Å; L499-P501 WeakPolarHBondContact O-CD 3.28Å; P501-T504 HydrophobicContact CB-CG2 4.32Å; P501-T504 HydrophobicContact CG-CG2 4.07Å | ||
| 502 | G | 93.1 | Very high | 95.7 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 40% | 0.402 | 19% | 0.194 | S | C | . | . | trans | 73.1 | -161.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A500 T504 | A500-G502 PolarHBondContact O-N 3.26Å; G502-T504 PolarHBondContact O-N 2.93Å; G502-T504 VanDerWaalsContact O-N 3.16Å | ||
| 503 | L | 92 | Very high | 95.8 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | trans | -69.3 | 109.5 | -178.3 | -175.5 | 70 | 0 | 0 | 0 | 111.8 | T112 L113 H116 K118 | T112-L503 HydrophobicContact CG2-CD2 3.68Å; L113-L503 HydrophobicContact CD2-CD2 4.35Å; H116-L503 HydrophobicContact CB-CD2 4.14Å; K118-L503 WeakPolarHBondContact CE-O 3.4Å | ||
| 504 | T | 93.8 | Very high | 96 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | trans | -84.3 | -23.7 | -177.7 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | V41 T447 D448 P501 G502 T506 | V41-T504 HydrophobicContact CG1-CG2 3.73Å; T447-T504 VanDerWaalsContact O-CB 3.24Å; T447-T504 WeakPolarHBondContact O-CB 3.37Å; T447-T504 WeakPolarHBondContact O-CG2 3.37Å; T447-T504 PolarHBondContact O-OG1 3.34Å; D448-T504 WeakPolarHBondContact CA-OG1 3.24Å; D448-T504 PolarHBondContact O-OG1 2.9Å; P501-T504 HydrophobicContact CB-CG2 4.32Å; P501-T504 HydrophobicContact CG-CG2 4.07Å; G502-T504 PolarHBondContact O-N 2.93Å; G502-T504 VanDerWaalsContact O-N 3.16Å; T504-T506 VanDerWaalsContact C-N 3.25Å; T504-T506 PolarHBondContact O-N 2.94Å; T504-T506 PolarHBondContact OG1-O 3.39Å | ||
| 505 | C | 93.2 | Very high | 96 | Very high | 24 Ų | 24 | 24.2 Ų | 24.2 | 16% | 0.162 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 66.1 | 15.8 | -178.6 | -51 | 0 | 0 | 0 | 0 | 115.5 | P46 L113 L121 | P46-C505 WeakPolarHBondContact CG-O 3.29Å; L113-C505 WeakPolarHBondContact CD2-SG 3.46Å; L121-C505 HydrophobicContact CD1-CB 3.66Å |
| 506 | T | 94.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | trans | -136.5 | 162.7 | 176.9 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | V41 V44 T447 D448 T504 | V41-T506 HydrophobicContact CG1-CG2 4.03Å; V44-T506 HydrophobicContact CG2-CG2 3.89Å; V44-T506 VanDerWaalsContact O-CB 3.25Å; V44-T506 WeakPolarHBondContact O-CB 3.4Å; V44-T506 PolarHBondContact O-OG1 3.47Å; T447-T506 CarbonylContact C-O 3.58Å; D448-T506 WeakPolarHBondContact CA-O 3.35Å; D448-T506 PolarHBondContact N-O 2.94Å; T504-T506 VanDerWaalsContact C-N 3.25Å; T504-T506 PolarHBondContact O-N 2.94Å; T504-T506 PolarHBondContact OG1-O 3.39Å | ||
| 507 | N | 95.2 | Very high | 95.2 | Very high | 27 Ų | 27 | 16.9 Ų | 16.9 | 14% | 0.144 | 11% | 0.113 | C | C | . | . | trans | -152 | 111.2 | 171.2 | -178.7 | 22.4 | 0 | 0 | 0 | 109.5 | D448 M509 | D448-N507 HydrophobicContact CB-CB 4.05Å; N507-M509 PolarHBondContact OD1-N 2.86Å; N507-M509 VanDerWaalsContact OD1-N 3.09Å | ||
| 508 | V | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -127.4 | 37.9 | 172.3 | -59 | 0 | 0 | 0 | 0 | 110.1 | V44 L234 N309 A312 T447 | V44-V508 HydrophobicContact CB-CG1 4.13Å; V44-V508 HydrophobicContact CB-CG2 4.31Å; V44-V508 HydrophobicContact CG1-CG1 4.3Å; V44-V508 HydrophobicContact CG1-CG2 4.28Å; V44-V508 HydrophobicContact CG2-CG1 4.25Å; V44-V508 HydrophobicContact CG2-CG2 3.7Å; L234-V508 HydrophobicContact CG-CG1 4.28Å; N309-V508 WeakPolarHBondContact CB-O 3.48Å; N309-V508 PolarHBondContact ND2-O 3.1Å; A312-V508 HydrophobicContact CB-CG2 4.07Å; T447-V508 HydrophobicContact CG2-CG2 3.86Å; T447-V508 PolarHBondContact OG1-N 2.79Å | ||
| 509 | M | 96.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | trans | 70.3 | -145.4 | -177.2 | -44.4 | 167.9 | -75.1 | 0 | 0 | 112.9 | I238 N309 G404 E405 T447 N507 | I238-M509 HydrophobicContact CB-SD 4.26Å; I238-M509 HydrophobicContact CD1-SD 4.44Å; I238-M509 HydrophobicContact CG1-CE 4.11Å; I238-M509 HydrophobicContact CG1-SD 3.34Å; I238-M509 WeakPolarHBondContact CG1-SD 3.02Å; I238-M509 PolarHBondContact N-SD 2.99Å; N309-M509 HydrophobicContact CB-CE 3.58Å; G404-M509 WeakPolarHBondContact O-CB 3.33Å; E405-M509 HydrophobicContact CB-CB 4.28Å; E405-M509 HydrophobicContact CB-CG 4.33Å; E405-M509 HydrophobicContact CB-SD 4.14Å; T447-M509 WeakPolarHBondContact CB-O 3.35Å; T447-M509 VanDerWaalsContact CG2-O 3.31Å; T447-M509 WeakPolarHBondContact CG2-O 3.39Å; T447-M509 PolarHBondContact N-O 3.3Å; T447-M509 PolarHBondContact OG1-N 3.43Å; T447-M509 PolarHBondContact OG1-O 2.71Å; N507-M509 PolarHBondContact OD1-N 2.86Å; N507-M509 VanDerWaalsContact OD1-N 3.09Å | ||
| 510 | D | 98.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 153.9 | -174.5 | -52.4 | -36 | 0 | 0 | 0 | 112.5 | N309 G403 G404 P406 R418 N419 G445 G446 | N309-D510 PolarHBondContact ND2-O 3.26Å; G403-D510 WeakPolarHBondContact CA-O 3.44Å; G404-D510 PolarHBondContact N-O 2.99Å; G404-D510 VanDerWaalsContact O-CB 3.28Å; G404-D510 WeakPolarHBondContact O-CB 3.26Å; G404-D510 PolarHBondContact O-N 3Å; P406-D510 VanDerWaalsContact CD-OD2 3.24Å; P406-D510 WeakPolarHBondContact CD-OD2 3.43Å; R418-D510 WeakPolarHBondContact CD-OD2 3.39Å; R418-D510 IonicContact CZ-OD1 2.84Å; R418-D510 IonicContact CZ-OD2 3.76Å; R418-D510 IonicContact NE-OD1 3.2Å; R418-D510 PolarHBondContact NE-OD1 3.33Å; R418-D510 IonicContact NE-OD2 3.97Å; R418-D510 PolarHBondContact NE-OD2 2.88Å; R418-D510 IonicContact NH2-OD1 2.72Å; R418-D510 PolarHBondContact NH2-OD1 2.96Å; R418-D510 IonicContact NH2-OD2 3.89Å; R418-D510 PolarHBondContact NH2-OD2 2.88Å; N419-D510 VanDerWaalsContact ND2-CG 3.31Å; N419-D510 PolarHBondContact ND2-OD1 3.44Å; N419-D510 WeakPolarHBondContact OD1-CB 3.36Å; N419-D510 VanDerWaalsContact OD1-CG 3.28Å; G445-D510 CarbonylContact O-C 3.52Å; G445-D510 VanDerWaalsContact O-CA 3.31Å; G445-D510 WeakPolarHBondContact O-CA 3.31Å; G446-D510 WeakPolarHBondContact CA-OD1 3.34Å |
| 511 | V | 98.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.2 | 171.3 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | F37 A40 L313 S444 G445 T447 V513 | F37-V511 HydrophobicContact CD2-CB 3.91Å; F37-V511 HydrophobicContact CD2-CG1 4.16Å; F37-V511 HydrophobicContact CE2-CB 4.06Å; A40-V511 HydrophobicContact CB-CG1 4.14Å; A40-V511 HydrophobicContact CB-CG2 4.06Å; L313-V511 HydrophobicContact CD2-CG1 4.08Å; L313-V511 HydrophobicContact CD2-CG2 4.28Å; S444-V511 WeakPolarHBondContact CA-O 3.23Å; G445-V511 PolarHBondContact N-O 3.46Å; G445-V511 PolarHBondContact O-N 3.45Å; T447-V511 HydrophobicContact CG2-CG2 3.68Å; V511-V513 HydrophobicContact CG1-CG2 4.14Å |
| 512 | H | 98.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.5 | 176.6 | -53.1 | 156.8 | 0 | 0 | 0 | 109.9 | Y345 L401 A402 L422 F442 L443 S444 | Y345-H512 HydrophobicContact CE2-CB 4.48Å; Y345-H512 AromaticContact CE2-ND1 3.68Å; Y345-H512 AromaticContact CZ-ND1 3.64Å; Y345-H512 VanDerWaalsContact OH-CB 3.31Å; Y345-H512 WeakPolarHBondContact OH-CB 3.22Å; Y345-H512 PolarHBondContact OH-ND1 3.27Å; L401-H512 WeakPolarHBondContact CA-O 3.24Å; A402-H512 HydrophobicContact CB-CB 4.37Å; A402-H512 PolarHBondContact N-O 3.02Å; A402-H512 PolarHBondContact O-N 3.4Å; L422-H512 WeakPolarHBondContact CD2-NE2 3.34Å; F442-H512 HydrophobicContact CE2-CB 4.09Å; F442-H512 HydrophobicContact CZ-CB 4.13Å; L443-H512 CarbonylContact O-C 3.57Å; L443-H512 WeakPolarHBondContact O-CA 3.46Å; S444-H512 PolarHBondContact OG-CD2 3.21Å |
| 513 | V | 98.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 113.1 | -178.5 | -175.2 | 0 | 0 | 0 | 0 | 108 | A33 T36 L401 F442 L443 V511 L515 | A33-V513 HydrophobicContact CB-CG1 4.25Å; T36-V513 HydrophobicContact CG2-CG1 3.98Å; T36-V513 HydrophobicContact CG2-CG2 3.87Å; L401-V513 HydrophobicContact CD2-CG1 4.36Å; L401-V513 HydrophobicContact CD2-CG2 4.04Å; F442-V513 CarbonylContact C-O 3.57Å; F442-V513 VanDerWaalsContact CA-O 3.29Å; F442-V513 WeakPolarHBondContact CA-O 3.46Å; L443-V513 HydrophobicContact CB-CB 4.34Å; L443-V513 HydrophobicContact CD2-CG2 4.3Å; L443-V513 PolarHBondContact N-O 3.26Å; L443-V513 PolarHBondContact O-N 2.96Å; V511-V513 HydrophobicContact CG1-CG2 4.14Å; V513-L515 HydrophobicContact CG1-CD2 4.12Å; V513-L515 HydrophobicContact CG1-CG 4.11Å |
| 514 | L | 97.6 | Very high | 82.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 105.4 | 170.9 | 176.6 | 65.8 | 0 | 0 | 0 | 109 | Y345 L348 A349 C399 V400 P440 V441 F442 I516 | Y345-L514 HydrophobicContact CD1-CD2 4.27Å; L348-L514 HydrophobicContact CB-CD2 4.47Å; A349-L514 HydrophobicContact CB-CD2 4.41Å; C399-L514 CarbonylContact C-O 3.58Å; C399-L514 WeakPolarHBondContact CA-O 3.33Å; V400-L514 HydrophobicContact CB-CB 4.18Å; V400-L514 PolarHBondContact N-O 3.29Å; V400-L514 PolarHBondContact O-N 3.35Å; P440-L514 HydrophobicContact CB-CD1 4.21Å; V441-L514 CarbonylContact O-C 3.57Å; V441-L514 WeakPolarHBondContact O-CA 3.35Å; F442-L514 HydrophobicContact CB-CD1 4.15Å; F442-L514 HydrophobicContact CD2-CB 4.07Å; F442-L514 HydrophobicContact CD2-CD1 4.26Å; L514-I516 HydrophobicContact CD1-CD1 4.13Å; L514-I516 HydrophobicContact CD2-CD1 4.1Å; L514-I516 HydrophobicContact CG-CD1 3.86Å |
| 515 | L | 94.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.3 | 173.5 | -63.1 | -179.2 | 0 | 0 | 0 | 109.9 | M29 Q32 A33 F325 C399 P440 V441 V513 | M29-L515 HydrophobicContact CB-CD1 4.32Å; M29-L515 VanDerWaalsContact O-CD1 3.29Å; M29-L515 WeakPolarHBondContact O-CD1 3.4Å; Q32-L515 HydrophobicContact CB-CD1 4Å; A33-L515 HydrophobicContact CB-CD1 3.82Å; A33-L515 HydrophobicContact CB-CG 4.39Å; F325-L515 HydrophobicContact CD1-CD2 3.98Å; F325-L515 HydrophobicContact CE1-CB 4.16Å; F325-L515 HydrophobicContact CE1-CD2 3.96Å; F325-L515 HydrophobicContact CE1-CG 4.48Å; F325-L515 HydrophobicContact CG-CD2 4.3Å; F325-L515 HydrophobicContact CZ-CD1 4.33Å; F325-L515 HydrophobicContact CZ-CD2 4.26Å; C399-L515 HydrophobicContact CB-CD2 3.59Å; C399-L515 VanDerWaalsContact SG-CD2 3.54Å; P440-L515 CarbonylContact C-O 3.52Å; P440-L515 WeakPolarHBondContact CA-O 3.47Å; P440-L515 WeakPolarHBondContact CB-O 3.39Å; V441-L515 HydrophobicContact CB-CB 4.43Å; V441-L515 PolarHBondContact N-O 2.89Å; V441-L515 PolarHBondContact O-N 3.26Å; V513-L515 HydrophobicContact CG1-CD2 4.12Å; V513-L515 HydrophobicContact CG1-CG 4.11Å |
| 516 | I | 90.9 | Very high | 81.5 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.1 | 169.7 | -51.3 | -56.9 | 0 | 0 | 0 | 107 | A352 L387 A397 T398 P440 L514 | A352-I516 HydrophobicContact CB-CD1 4.15Å; A352-I516 HydrophobicContact CB-CG1 4.04Å; A352-I516 HydrophobicContact CB-CG2 4.11Å; L387-I516 HydrophobicContact CD2-CG1 4.48Å; A397-I516 WeakPolarHBondContact CA-O 3.43Å; T398-I516 PolarHBondContact N-O 3.43Å; T398-I516 PolarHBondContact O-N 3Å; P440-I516 HydrophobicContact CB-CD1 3.79Å; L514-I516 HydrophobicContact CD1-CD1 4.13Å; L514-I516 HydrophobicContact CD2-CD1 4.1Å; L514-I516 HydrophobicContact CG-CD1 3.86Å |
| 517 | P | 83.8 | Confident | 80.8 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 159.6 | 179.4 | 29.6 | -36.8 | 0 | 0 | 0 | 111.2 | M29 P436 G439 I519 | M29-P517 HydrophobicContact CE-CB 4.4Å; M29-P517 HydrophobicContact CE-CG 4.32Å; M29-P517 HydrophobicContact SD-CB 3.69Å; M29-P517 HydrophobicContact SD-CG 4.18Å; P436-P517 HydrophobicContact CB-CG 4.49Å; P436-P517 HydrophobicContact CG-CG 3.62Å; G439-P517 WeakPolarHBondContact O-CD 3.35Å; G439-P517 WeakPolarHBondContact O-CG 3.18Å; P517-I519 PolarHBondContact O-N 2.99Å |
| 518 | A | 79.1 | Confident | 80 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 133.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | W395 A397 | W395-A518 WeakPolarHBondContact O-CA 3.47Å; W395-A518 WeakPolarHBondContact O-CB 2.98Å; A397-A518 HydrophobicContact CB-CB 4.35Å |
| 519 | I | 68.4 | Low | 78.9 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 116.3 | 177.4 | -48.4 | -165.1 | 0 | 0 | 0 | 107.7 | G394 W395 P436 P517 I521 | G394-I519 VanDerWaalsContact O-O 3.13Å; W395-I519 HydrophobicContact CB-CB 3.6Å; W395-I519 HydrophobicContact CB-CD1 4.44Å; W395-I519 HydrophobicContact CB-CG1 3.63Å; W395-I519 VanDerWaalsContact CB-N 3.33Å; W395-I519 HydrophobicContact CD2-CB 3.5Å; W395-I519 VanDerWaalsContact CD2-CB 3.5Å; W395-I519 HydrophobicContact CD2-CD1 3.75Å; W395-I519 HydrophobicContact CD2-CG1 3.75Å; W395-I519 HydrophobicContact CD2-CG2 4.1Å; W395-I519 HydrophobicContact CE3-CB 3.44Å; W395-I519 VanDerWaalsContact CE3-CB 3.44Å; W395-I519 HydrophobicContact CE3-CD1 4.38Å; W395-I519 HydrophobicContact CE3-CG1 4.23Å; W395-I519 HydrophobicContact CE3-CG2 3.68Å; W395-I519 HydrophobicContact CG-CB 3.59Å; W395-I519 HydrophobicContact CG-CD1 3.75Å; W395-I519 HydrophobicContact CG-CG1 3.47Å; W395-I519 VanDerWaalsContact CG-CG1 3.47Å; W395-I519 HydrophobicContact CZ3-CB 4.26Å; W395-I519 HydrophobicContact CZ3-CG2 3.98Å; W395-I519 PolarHBondContact O-N 3.38Å; P436-I519 HydrophobicContact CB-CB 4.03Å; P436-I519 HydrophobicContact CB-CD1 3.87Å; P436-I519 HydrophobicContact CB-CG1 3.56Å; P436-I519 HydrophobicContact CB-CG2 3.95Å; P436-I519 HydrophobicContact CG-CD1 3.7Å; P436-I519 HydrophobicContact CG-CG1 3.66Å; P517-I519 PolarHBondContact O-N 2.99Å; I519-I521 PolarHBondContact O-N 3.11Å; I519-I521 VanDerWaalsContact O-N 3.08Å |
| 520 | P | 60.4 | Low | 77.8 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -63 | 117.1 | 177.5 | -15.3 | 27.3 | 0 | 0 | 0 | 109.9 | K522 | P520-K522 PolarHBondContact O-N 2.98Å; P520-K522 VanDerWaalsContact O-N 3.15Å |
| 521 | I | 57.7 | Low | 76.3 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | trans | -66.5 | 114.4 | 166.1 | -58.2 | 168.1 | 0 | 0 | 0 | 107.1 | W395 I519 I523 | W395-I521 HydrophobicContact CE3-CG1 4.25Å; W395-I521 HydrophobicContact CZ3-CG1 4.19Å; I519-I521 PolarHBondContact O-N 3.11Å; I519-I521 VanDerWaalsContact O-N 3.08Å; I521-I523 HydrophobicContact CG2-CG1 4.19Å; I521-I523 PolarHBondContact O-N 3Å; I521-I523 VanDerWaalsContact O-N 3.11Å | ||
| 522 | K | 52.6 | Low | 74.6 | Confident | 194 Ų | 194 | 62 Ų | 62 | 84% | 0.843 | 36% | 0.355 | S | S | * | . | trans | -72.3 | 99.9 | 159.6 | -76.7 | -173 | 179 | -178.6 | 0 | 106.9 | P520 S524 | P520-K522 PolarHBondContact O-N 2.98Å; P520-K522 VanDerWaalsContact O-N 3.15Å; K522-S524 VanDerWaalsContact C-N 3.32Å; K522-S524 PolarHBondContact O-N 3.37Å | ||
| 523 | I | 46.6 | Very low | 72.6 | Confident | 160 Ų | 160 | 67.2 Ų | 67.2 | 82% | 0.821 | 38% | 0.384 | S | S | * | . | trans | -68.1 | 99.2 | 164.7 | -54.4 | 175.5 | 0 | 0 | 0 | 105.3 | I521 | I521-I523 HydrophobicContact CG2-CG1 4.19Å; I521-I523 PolarHBondContact O-N 3Å; I521-I523 VanDerWaalsContact O-N 3.11Å | ||
| 524 | S | 40.9 | Very low | 70.3 | Confident | 178 Ų | 178 | 73.3 Ų | 73.3 | 100% | 1.245 | 42% | 0.419 | S | S | * | . | trans | -78.4 | 0 | 172.8 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | K522 | K522-S524 VanDerWaalsContact C-N 3.32Å; K522-S524 PolarHBondContact O-N 3.37Å |
Retrieved 524 of 524 residues in 98.4 ms
(Link to these results)