| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.7 | Very low | 30.7 | Very low | 242 Ų | 242 | 138.3 Ų | 138.3 | 100% | 1.192 | 80% | 0.801 | S | S | * | * | 0 | 87.2 | 0 | -65.2 | 178.2 | -169.3 | 0 | 0 | 105.9 | |||||
| 2 | A | 32 | Very low | 31.1 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 77.7 | 97.1 | 103.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 3 | K | 27.7 | Very low | 31.7 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | 80.2 | 126 | 110.6 | -72.3 | -177.5 | 178 | -176.5 | 0 | 110.7 | |||||
| 4 | D | 31.4 | Very low | 32.3 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | cis | -157 | 146.9 | 42.1 | -92.7 | -45.3 | 0 | 0 | 0 | 110.2 | ||||
| 5 | A | 26.1 | Very low | 33 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | trans | -129.2 | 95.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 6 | G | 26.9 | Very low | 33.8 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -91.7 | 129.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 7 | L | 27.2 | Very low | 34.6 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | trans | -37.5 | 128.6 | 170.7 | -154.2 | 69.9 | 0 | 0 | 0 | 114.2 | E9 | L7-E9 HydrophobicContact CD2-CG 4.24Š| ||
| 8 | I | 32.5 | Very low | 35.5 | Very low | 162 Ų | 162 | 119.7 Ų | 119.7 | 83% | 0.831 | 68% | 0.676 | S | S | * | * | trans | -97.4 | 106.8 | 164.3 | -60.8 | 175.4 | 0 | 0 | 0 | 106.8 | ||||
| 9 | E | 29.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | trans | -84.5 | 128.3 | 163 | -69.3 | -179.1 | 161.7 | 0 | 0 | 108 | L7 | L7-E9 HydrophobicContact CD2-CG 4.24Š| ||
| 10 | A | 34.9 | Very low | 36.6 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 61% | 0.612 | 67% | 0.671 | S | S | * | * | trans | -132.4 | 90.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | N | 34.9 | Very low | 36.7 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | trans | -103.6 | 80.1 | 173.7 | 41.9 | -22.5 | 0 | 0 | 0 | 108.7 | ||||
| 12 | G | 35.3 | Very low | 37.2 | Very low | 54 Ų | 54 | 115 Ų | 115 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 121.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 13 | E | 38.9 | Very low | 37.9 | Very low | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -82 | 120 | 174.5 | -164.1 | 179.1 | 172.9 | 0 | 0 | 108.6 | ||
| 14 | L | 39.7 | Very low | 39.1 | Very low | 73 Ų | 73 | 113 Ų | 113 | 38% | 0.382 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.7 | 173.9 | -168.3 | 80 | 0 | 0 | 0 | 108.3 | V16 L31 I262 | L14-V16 HydrophobicContact CD2-CG2 4.1Å; L14-V16 HydrophobicContact CG-CG2 4.45Å; L14-L31 HydrophobicContact CD2-CD2 4.23Å; L14-I262 HydrophobicContact CD2-CD1 3.32Å; L14-I262 HydrophobicContact CD2-CG1 3.77Å; L14-I262 HydrophobicContact CD2-CG2 4.4Å |
| 15 | K | 44 | Very low | 40.4 | Very low | 109 Ų | 109 | 107.1 Ų | 107.1 | 47% | 0.474 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 117.7 | 171.4 | -72 | -175.9 | 179.6 | 178.9 | 0 | 108.9 | F17 V32 | K15-F17 HydrophobicContact CB-CE2 3.81Å; K15-F17 HydrophobicContact CB-CZ 4.2Å; K15-F17 HydrophobicContact CD-CZ 4.26Å; K15-V32 PolarHBondContact N-O 3.05Å; K15-V32 PolarHBondContact O-N 2.73Å |
| 16 | V | 45.5 | Very low | 42.1 | Very low | 54 Ų | 54 | 108.4 Ų | 108.4 | 33% | 0.327 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.9 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | L14 I18 V29 L31 I262 I293 | L14-V16 HydrophobicContact CD2-CG2 4.1Å; L14-V16 HydrophobicContact CG-CG2 4.45Å; V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 3.91Å; V16-V29 HydrophobicContact CG1-CG1 4.07Å; V16-L31 HydrophobicContact CB-CD2 4.07Å; V16-L31 HydrophobicContact CG1-CD2 3.82Å; V16-L31 HydrophobicContact CG2-CD2 3.64Å; V16-I262 HydrophobicContact CG2-CD1 4.48Å; V16-I293 HydrophobicContact CG1-CD1 3.76Å |
| 17 | F | 47.8 | Very low | 44.2 | Very low | 117 Ų | 117 | 105.4 Ų | 105.4 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.9 | 170.1 | -60 | -85 | 0 | 0 | 0 | 108.4 | K15 S30 V32 | K15-F17 HydrophobicContact CB-CE2 3.81Å; K15-F17 HydrophobicContact CB-CZ 4.2Å; K15-F17 HydrophobicContact CD-CZ 4.26Å; F17-S30 PolarHBondContact N-O 3.19Å; F17-S30 PolarHBondContact O-N 2.77Å; F17-V32 HydrophobicContact CE2-CG2 4.39Å |
| 18 | I | 50.3 | Low | 46.2 | Very low | 85 Ų | 85 | 100 Ų | 100 | 44% | 0.436 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 107.5 | 179.7 | -56.4 | 176.6 | 0 | 0 | 0 | 107.4 | V16 Q20 I293 | V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 3.91Å; I18-Q20 HydrophobicContact CG2-CG 4.02Å; I18-I293 HydrophobicContact CD1-CD1 4.07Å |
| 19 | D | 47.7 | Very low | 48.3 | Very low | 99 Ų | 99 | 92.3 Ų | 92.3 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 102.3 | 169.1 | -97 | -47.2 | 0 | 0 | 0 | 109.2 | N21 V28 | D19-N21 VanDerWaalsContact C-N 3.32Å; D19-N21 PolarHBondContact O-N 3.14Å; D19-V28 PolarHBondContact N-O 2.76Å; D19-V28 PolarHBondContact O-N 3.25Å |
| 20 | Q | 45.1 | Very low | 50.5 | Low | 153 Ų | 153 | 86 Ų | 86 | 72% | 0.715 | 48% | 0.484 | S | S | * | . | trans | -92.9 | 61 | 167.8 | -73.9 | -179.4 | 33.7 | 0 | 0 | 109.6 | I18 | I18-Q20 HydrophobicContact CG2-CG 4.02Š| ||
| 21 | N | 39.7 | Very low | 52.5 | Low | 129 Ų | 129 | 83.6 Ų | 83.6 | 69% | 0.69 | 46% | 0.46 | S | S | * | . | trans | -116.9 | 18.3 | -177.7 | -91.4 | -58.6 | 0 | 0 | 0 | 115.3 | D19 | D19-N21 VanDerWaalsContact C-N 3.32Å; D19-N21 PolarHBondContact O-N 3.14Å | ||
| 22 | L | 45.1 | Very low | 54.2 | Low | 120 Ų | 120 | 79.7 Ų | 79.7 | 63% | 0.628 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -134.9 | 91.6 | 173.7 | -77 | 96.9 | 0 | 0 | 0 | 112.6 | K26 | L22-K26 WeakPolarHBondContact O-CB 3.48Š|
| 23 | S | 45.5 | Very low | 55.8 | Low | 98 Ų | 98 | 78.7 Ų | 78.7 | 69% | 0.685 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 140.3 | 171.2 | -128.1 | 0 | 0 | 0 | 0 | 115.3 | G25 K26 | S23-G25 VanDerWaalsContact C-N 3.32Å; S23-G25 PolarHBondContact O-N 3.43Å; S23-K26 PolarHBondContact O-N 3.15Å |
| 24 | P | 53.4 | Low | 56.5 | Low | 141 Ų | 141 | 74.8 Ų | 74.8 | 92% | 0.916 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 92.2 | 177.5 | 27.3 | -31 | 0 | 0 | 0 | 109.2 | ||
| 25 | G | 58.1 | Low | 56.8 | Low | 31 Ų | 31 | 75.7 Ų | 75.7 | 32% | 0.32 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 147 | -22.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S23 D288 N289 | S23-G25 VanDerWaalsContact C-N 3.32Å; S23-G25 PolarHBondContact O-N 3.43Å; G25-D288 CarbonylContact O-C 3.55Å; G25-N289 CarbonylContact O-C 3.56Å; G25-N289 VanDerWaalsContact O-C 3.3Å; G25-N289 WeakPolarHBondContact O-CA 3.4Å; G25-N289 PolarHBondContact O-N 2.94Å |
| 26 | K | 62.7 | Low | 57.1 | Low | 134 Ų | 134 | 74.4 Ų | 74.4 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | trans | -108.7 | 143.2 | 173.9 | -51.4 | -176 | 174.5 | -174.8 | 0 | 110.3 | L22 S23 F287 | L22-K26 WeakPolarHBondContact O-CB 3.48Å; S23-K26 PolarHBondContact O-N 3.15Å; K26-F287 WeakPolarHBondContact CA-O 3.26Å | ||
| 27 | G | 70.6 | Confident | 57.3 | Low | 6 Ų | 6 | 76.3 Ų | 76.3 | 6% | 0.062 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F287 | G27-F287 PolarHBondContact N-O 2.88Å; G27-F287 VanDerWaalsContact N-O 3.14Å; G27-F287 PolarHBondContact O-N 3Å |
| 28 | V | 69.9 | Low | 57.3 | Low | 38 Ų | 38 | 76 Ų | 76 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.6 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | D19 L284 F285 | D19-V28 PolarHBondContact N-O 2.76Å; D19-V28 PolarHBondContact O-N 3.25Å; V28-L284 HydrophobicContact CG1-CD1 3.48Å; V28-L284 VanDerWaalsContact CG1-CD1 3.48Å; V28-L284 HydrophobicContact CG1-CG 4.41Å; V28-F285 WeakPolarHBondContact CA-O 3.22Å |
| 29 | V | 76.2 | Confident | 57 | Low | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.006 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.8 | 172.1 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | V16 L31 F285 F287 F291 | V16-V29 HydrophobicContact CG1-CG1 4.07Å; V29-L31 HydrophobicContact CG1-CD2 3.76Å; V29-L31 HydrophobicContact CG1-CG 3.92Å; V29-F285 HydrophobicContact CB-CB 4.45Å; V29-F285 PolarHBondContact N-O 2.98Å; V29-F285 PolarHBondContact O-N 3.15Å; V29-F287 HydrophobicContact CB-CE2 4.1Å; V29-F287 HydrophobicContact CG2-CD2 4.27Å; V29-F287 HydrophobicContact CG2-CE2 3.69Å; V29-F291 HydrophobicContact CG2-CD1 4.46Å; V29-F291 HydrophobicContact CG2-CD2 4.07Å; V29-F291 HydrophobicContact CG2-CE1 3.69Å; V29-F291 HydrophobicContact CG2-CE2 3.23Å; V29-F291 HydrophobicContact CG2-CZ 3.02Å |
| 30 | S | 74.8 | Confident | 56.4 | Low | 22 Ų | 22 | 78.8 Ų | 78.8 | 15% | 0.154 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.6 | 166.4 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | F17 Y283 | F17-S30 PolarHBondContact N-O 3.19Å; F17-S30 PolarHBondContact O-N 2.77Å; S30-Y283 WeakPolarHBondContact CA-O 3.44Å |
| 31 | L | 76.4 | Confident | 56 | Low | 22 Ų | 22 | 77.8 Ų | 77.8 | 12% | 0.115 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.2 | 175.2 | -59.4 | 179.3 | 0 | 0 | 0 | 108.7 | L14 V16 V29 I262 Y283 F285 | L14-L31 HydrophobicContact CD2-CD2 4.23Å; V16-L31 HydrophobicContact CB-CD2 4.07Å; V16-L31 HydrophobicContact CG1-CD2 3.82Å; V16-L31 HydrophobicContact CG2-CD2 3.64Å; V29-L31 HydrophobicContact CG1-CD2 3.76Å; V29-L31 HydrophobicContact CG1-CG 3.92Å; L31-I262 HydrophobicContact CD1-CD1 4.42Å; L31-I262 HydrophobicContact CD2-CD1 4.3Å; L31-Y283 PolarHBondContact N-O 3.4Å; L31-Y283 PolarHBondContact O-N 3.26Å; L31-F285 HydrophobicContact CD1-CD2 4.38Å; L31-F285 HydrophobicContact CD1-CE2 3.91Å; L31-F285 HydrophobicContact CG-CE2 4.5Å |
| 32 | V | 71.8 | Confident | 55.9 | Low | 45 Ų | 45 | 79 Ų | 79 | 27% | 0.273 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.1 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | K15 F17 F281 E282 | K15-V32 PolarHBondContact N-O 3.05Å; K15-V32 PolarHBondContact O-N 2.73Å; F17-V32 HydrophobicContact CE2-CG2 4.39Å; V32-F281 CarbonylContact C-O 3.57Å; V32-F281 WeakPolarHBondContact CA-O 3.36Å; V32-E282 HydrophobicContact CG2-CG 4.45Å |
| 33 | A | 68.3 | Low | 55.2 | Low | 34 Ų | 34 | 76.9 Ų | 76.9 | 28% | 0.281 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | F281 | A33-F281 HydrophobicContact CB-CD1 4.19Å; A33-F281 PolarHBondContact N-O 3.23Å; A33-F281 WeakPolarHBondContact O-CD1 3.4Å |
| 34 | V | 54.6 | Low | 54.9 | Low | 60 Ų | 60 | 80.3 Ų | 80.3 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | trans | -106.5 | 123.5 | 175.8 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 35 | H | 45.7 | Very low | 53.9 | Low | 92 Ų | 92 | 82.5 Ų | 82.5 | 43% | 0.426 | 48% | 0.481 | S | S | . | . | trans | -66.3 | 136.6 | 177 | -157.8 | -103.6 | 0 | 0 | 0 | 110.5 | S37 T38 F281 | H35-S37 PolarHBondContact ND1-OG 3.02Å; H35-S37 PolarHBondContact O-N 3.42Å; H35-T38 PolarHBondContact O-N 3.35Å; H35-T38 VanDerWaalsContact O-N 3.1Å; H35-T38 PolarHBondContact O-OG1 2.86Å; H35-F281 HydrophobicContact CB-CE1 3.6Å; H35-F281 HydrophobicContact CB-CZ 3.75Å; H35-F281 AromaticContact CD2-CE1 3.9Å; H35-F281 AromaticContact CD2-CZ 3.66Å; H35-F281 AromaticContact CG-CZ 3.95Å | ||
| 36 | P | 50.2 | Low | 52.8 | Low | 81 Ų | 81 | 87.2 Ų | 87.2 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -63.5 | -13.2 | -176.8 | 23.4 | -33.6 | 0 | 0 | 0 | 114.1 | T38 V39 | P36-T38 VanDerWaalsContact C-N 3.28Å; P36-T38 PolarHBondContact O-N 3Å; P36-V39 WeakPolarHBondContact O-CG2 3.32Å |
| 37 | S | 48.6 | Very low | 51.8 | Low | 95 Ų | 95 | 86.7 Ų | 86.7 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -77.7 | -8.7 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | H35 | H35-S37 PolarHBondContact ND1-OG 3.02Å; H35-S37 PolarHBondContact O-N 3.42Å |
| 38 | T | 49 | Very low | 50.3 | Low | 109 Ų | 109 | 92.4 Ų | 92.4 | 67% | 0.669 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -95.3 | -1.3 | 179.3 | -19.3 | 0 | 0 | 0 | 0 | 112.7 | H35 P36 | H35-T38 PolarHBondContact O-N 3.35Å; H35-T38 VanDerWaalsContact O-N 3.1Å; H35-T38 PolarHBondContact O-OG1 2.86Å; P36-T38 VanDerWaalsContact C-N 3.28Å; P36-T38 PolarHBondContact O-N 3Å |
| 39 | V | 44.3 | Very low | 48.7 | Very low | 91 Ų | 91 | 98.8 Ų | 98.8 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -100.1 | 113.5 | 171.7 | -69 | 0 | 0 | 0 | 0 | 109.7 | P36 | P36-V39 WeakPolarHBondContact O-CG2 3.32Š|
| 40 | N | 35 | Very low | 47 | Very low | 153 Ų | 153 | 105 Ų | 105 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | trans | -44.9 | 130 | 179 | -105.4 | -2.1 | 0 | 0 | 0 | 112 | L42 | N40-L42 PolarHBondContact O-N 2.84Š| ||
| 41 | P | 36.4 | Very low | 45.2 | Very low | 132 Ų | 132 | 113.9 Ų | 113.9 | 86% | 0.857 | 64% | 0.636 | S | S | * | * | trans | -80.7 | 72 | 176.4 | 34.7 | -33 | 0 | 0 | 0 | 109 | ||||
| 42 | L | 36.9 | Very low | 43.1 | Very low | 153 Ų | 153 | 116.4 Ų | 116.4 | 80% | 0.801 | 67% | 0.667 | S | S | * | * | trans | -120.6 | 94 | 165.6 | -164 | 67.5 | 0 | 0 | 0 | 108.7 | N40 K44 | N40-L42 PolarHBondContact O-N 2.84Å; L42-K44 PolarHBondContact O-N 3.41Å; L42-K44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | G | 31 | Very low | 41.2 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | trans | -50.9 | 115.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 44 | K | 38.1 | Very low | 39.6 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -146.3 | 119 | 149.4 | -66 | -169.9 | -179.3 | 173.9 | 0 | 107.2 | L42 L46 | L42-K44 PolarHBondContact O-N 3.41Å; L42-K44 VanDerWaalsContact O-N 3.14Å; K44-L46 PolarHBondContact O-N 3.38Å | ||
| 45 | Q | 33.6 | Very low | 38.4 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -36.2 | 102.9 | 164.2 | -173.4 | 177 | 67 | 0 | 0 | 110.5 | L47 | Q45-L47 PolarHBondContact O-N 2.9Š| ||
| 46 | L | 35.6 | Very low | 38 | Very low | 131 Ų | 131 | 133 Ų | 133 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | -92.1 | 91.8 | 179.2 | -80.4 | 167 | 0 | 0 | 0 | 109.1 | K44 K49 | K44-L46 PolarHBondContact O-N 3.38Å; L46-K49 HydrophobicContact CD2-CD 3.82Å; L46-K49 HydrophobicContact CD2-CG 4.09Å | ||
| 47 | L | 40.5 | Very low | 37 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | trans | -55.8 | 153.7 | 140.9 | -79.9 | 86.5 | 0 | 0 | 0 | 108.9 | Q45 K49 | Q45-L47 PolarHBondContact O-N 2.9Å; L47-K49 PolarHBondContact O-N 2.91Å | ||
| 48 | P | 38.8 | Very low | 36.4 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -57 | 112.4 | 171.4 | -17.3 | 29 | 0 | 0 | 0 | 109.6 | T50 | P48-T50 PolarHBondContact O-N 2.68Š| ||
| 49 | K | 36.1 | Very low | 35.5 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -76.8 | 110.1 | 171.3 | -74.4 | 178.7 | 176.9 | 170.2 | 0 | 108 | L46 L47 | L46-K49 HydrophobicContact CD2-CD 3.82Å; L46-K49 HydrophobicContact CD2-CG 4.09Å; L47-K49 PolarHBondContact O-N 2.91Å | ||
| 50 | T | 41.5 | Very low | 35 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -92 | 117.7 | 160.1 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | P48 | P48-T50 PolarHBondContact O-N 2.68Š| ||
| 51 | F | 36.6 | Very low | 34.7 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | 57.6 | 100.6 | 154.9 | -92 | -100.8 | 0 | 0 | 0 | 120.6 | ||||
| 52 | G | 31.9 | Very low | 34.6 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | 65.5 | 99.9 | 113.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 53 | Q | 33.6 | Very low | 34.2 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -79.9 | 120 | 155.7 | -71.7 | 177.3 | -51.5 | 0 | 0 | 109.3 | ||||
| 54 | S | 32.7 | Very low | 34.4 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -96.8 | 105.9 | 158.5 | 52.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 55 | N | 30.5 | Very low | 34.2 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -77.1 | 121.7 | 164.2 | -80.4 | -38.5 | 0 | 0 | 0 | 108 | ||||
| 56 | V | 36.6 | Very low | 34.5 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -123 | 122.7 | 160 | -164.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 57 | N | 28.8 | Very low | 34.7 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -78.7 | 115.9 | -174.9 | -149.1 | 11.2 | 0 | 0 | 0 | 108.7 | ||||
| 58 | I | 36.2 | Very low | 34.3 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -136.3 | 111.9 | 158.4 | -64.7 | -179.5 | 0 | 0 | 0 | 107.7 | ||||
| 59 | A | 30.2 | Very low | 34.2 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | trans | -68.8 | 134.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 60 | Q | 35.1 | Very low | 34.3 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | -174 | 138 | 117.2 | -96 | 172.5 | 5.1 | 0 | 0 | 111 | |||||
| 61 | Q | 28 | Very low | 33.9 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -51.9 | 155.6 | 179.9 | -66 | 153.3 | -38 | 0 | 0 | 111.9 | ||||
| 62 | V | 33.3 | Very low | 34.1 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | -158.8 | 141.2 | 72.9 | -176 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 63 | V | 29.2 | Very low | 34.3 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -82 | 151.7 | 178.9 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 64 | I | 35.9 | Very low | 34.6 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | 169.1 | 119.9 | 142 | -81.4 | 146.6 | 0 | 0 | 0 | 104.8 | ||||
| 65 | G | 32.5 | Very low | 34.7 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | cis | 113.5 | 95 | 36.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 66 | T | 40.1 | Very low | 35.2 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -66.5 | 170.2 | 176.4 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 67 | P | 39.9 | Very low | 35.3 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | -149.8 | 155.7 | 97.8 | 34.6 | -15.7 | 0 | 0 | 0 | 117.6 | |||||
| 68 | Q | 33.6 | Very low | 35.6 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -64.2 | 154.6 | 160.4 | -68.3 | 168 | -74.5 | 0 | 0 | 112.9 | ||||
| 69 | R | 36.8 | Very low | 35.7 | Very low | 237 Ų | 237 | 134.7 Ų | 134.7 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | 178.8 | 171.8 | 127.5 | -128.7 | -164.6 | 160.3 | -176.5 | -5.2 | 113.5 | |||||
| 70 | P | 36.9 | Very low | 36.1 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | -126.4 | -168.7 | -99 | 45.2 | -26.9 | 0 | 0 | 0 | 115.8 | |||||
| 71 | A | 34.1 | Very low | 36.6 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -58.2 | 157 | -171.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 72 | A | 39.4 | Very low | 37.1 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -157.7 | 133.1 | 139 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 73 | S | 35.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 152.3 | 178.5 | -48.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 74 | N | 41.5 | Very low | 38.3 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | -167.7 | 128 | 129.1 | -92.9 | -14.4 | 0 | 0 | 0 | 112.6 | |||||
| 75 | T | 33.6 | Very low | 38.1 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -68.1 | 152.9 | 171.1 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 76 | L | 40.9 | Very low | 38.7 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | 161 | 102.5 | 137.1 | -82.2 | 168.9 | 0 | 0 | 0 | 108.3 | ||||
| 77 | V | 39 | Very low | 38.7 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | 87.9 | 109.5 | 84.6 | 169.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 78 | V | 35.2 | Very low | 38.9 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | 69.3 | 126.6 | 139.3 | 176.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 79 | G | 39.1 | Very low | 39.3 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 157.4 | 86.8 | 157 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 80 | S | 37.5 | Very low | 39.1 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -67.8 | -171.6 | 161.8 | -149.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 81 | P | 45.4 | Very low | 39.4 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 56% | 0.558 | 79% | 0.791 | S | S | * | * | cis | -131.6 | 179.9 | -21.2 | 16.1 | 10.1 | 0 | 0 | 0 | 112.5 | ||||
| 82 | H | 39.9 | Very low | 39.6 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | 153.4 | 114.5 | 123.6 | -78.7 | -59.6 | 0 | 0 | 0 | 114.3 | |||||
| 83 | T | 37.7 | Very low | 39.8 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -95.1 | 153.4 | 154.8 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 84 | P | 49.9 | Very low | 39.8 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -118.5 | 127.6 | 149.3 | 29.3 | -14.9 | 0 | 0 | 0 | 111.5 | ||||
| 85 | S | 31.3 | Very low | 39.7 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -89.6 | 136.1 | 159.9 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 86 | T | 45.3 | Very low | 40 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -135.8 | 108.7 | 166.4 | 21.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 87 | H | 40.1 | Very low | 39.8 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -52.6 | 143.5 | 154.7 | -74.6 | -106.6 | 0 | 0 | 0 | 110.8 | ||||
| 88 | F | 44.6 | Very low | 39.5 | Very low | 208 Ų | 208 | 132.4 Ų | 132.4 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | trans | -148.2 | 135.6 | 139.6 | -95.4 | -71.5 | 0 | 0 | 0 | 112 | ||||
| 89 | A | 41.1 | Very low | 39.7 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -82.8 | 158.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 90 | S | 33.6 | Very low | 39.5 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -57.4 | 130.6 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 91 | Q | 42.8 | Very low | 39.4 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -158.3 | 130.3 | 134.4 | -146.3 | 163.4 | 8.2 | 0 | 0 | 112.8 | ||||
| 92 | N | 38.2 | Very low | 39 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -49.5 | 138.3 | -179.5 | -76.7 | -27.8 | 0 | 0 | 0 | 116.3 | ||||
| 93 | Q | 43.5 | Very low | 38.8 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | -153.2 | 143.7 | 128.5 | -110.1 | -172.9 | 7.8 | 0 | 0 | 111 | |||||
| 94 | P | 36.8 | Very low | 38.9 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -98.7 | 129.7 | -166.9 | 35.8 | -27.2 | 0 | 0 | 0 | 111.7 | ||||
| 95 | S | 38.2 | Very low | 38.5 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | 173.7 | 141.2 | 145.1 | 31.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 96 | D | 40.7 | Very low | 38.6 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | 80.7 | 86.5 | 163.9 | -62.2 | -35.1 | 0 | 0 | 0 | 120.6 | ||||
| 97 | S | 36.7 | Very low | 38.4 | Very low | 107 Ų | 107 | 153.3 Ų | 153.3 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | 67.5 | 88.1 | 116.8 | -55.1 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 98 | S | 32.3 | Very low | 38.3 | Very low | 102 Ų | 102 | 153.8 Ų | 153.8 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | trans | -65.3 | 131.3 | 162.5 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | W100 | S98-W100 PolarHBondContact OG-N 2.88Š| ||
| 99 | P | 39.1 | Very low | 38 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -103.9 | 55.6 | 169.7 | 38.2 | -29.1 | 0 | 0 | 0 | 111.5 | ||||
| 100 | W | 34 | Very low | 38.6 | Very low | 241 Ų | 241 | 150.7 Ų | 150.7 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -113.4 | 71.5 | 158.2 | -103.2 | -47.1 | 0 | 0 | 0 | 109.1 | S98 | S98-W100 PolarHBondContact OG-N 2.88Š| ||
| 101 | S | 37.2 | Very low | 39.6 | Very low | 112 Ų | 112 | 153.9 Ų | 153.9 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -166.2 | 117.4 | 162.7 | -84.7 | 0 | 0 | 0 | 0 | 110.7 | G103 | S101-G103 PolarHBondContact O-N 2.94Š|
| 102 | A | 35.8 | Very low | 40.4 | Very low | 113 Ų | 113 | 152 Ų | 152 | 93% | 0.934 | 82% | 0.816 | S | S | * | * | trans | 42.1 | 68.1 | 145.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 103 | G | 35.8 | Very low | 42 | Very low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -110.5 | 98.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S101 R105 | S101-G103 PolarHBondContact O-N 2.94Å; G103-R105 PolarHBondContact O-N 2.85Å | ||
| 104 | K | 40.1 | Very low | 43.8 | Very low | 209 Ų | 209 | 141.6 Ų | 141.6 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -33.5 | 106.6 | 166.3 | -73.9 | 175.1 | 174.4 | 177 | 0 | 112.9 | ||||
| 105 | R | 40.4 | Very low | 46.2 | Very low | 250 Ų | 250 | 137.6 Ų | 137.6 | 94% | 0.943 | 75% | 0.749 | S | S | * | * | trans | -106.3 | 71.7 | 157.6 | -79.1 | -172.2 | 172.9 | 164.1 | -0.2 | 109.8 | G103 R107 | G103-R105 PolarHBondContact O-N 2.85Å; R105-R107 PolarHBondContact O-N 2.84Å | ||
| 106 | N | 34.2 | Very low | 48.8 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -84.4 | 90.4 | 159.5 | -164 | -4 | 0 | 0 | 0 | 107.6 | ||||
| 107 | R | 41.4 | Very low | 51.3 | Low | 243 Ų | 243 | 139.2 Ų | 139.2 | 92% | 0.917 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -154.4 | 109.1 | 156 | -74.8 | -152.9 | -174.5 | -169.6 | 3.1 | 110.1 | R105 | R105-R107 PolarHBondContact O-N 2.84Š|
| 108 | K | 37 | Very low | 53.9 | Low | 178 Ų | 178 | 136.2 Ų | 136.2 | 77% | 0.774 | 71% | 0.707 | S | S | * | * | trans | 81.6 | 84.1 | 154 | -147.8 | 162 | -175.2 | 175.9 | 0 | 117.6 | E110 | K108-E110 PolarHBondContact O-N 3.02Š| ||
| 109 | G | 39.2 | Very low | 56.9 | Low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 54.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 110 | E | 53.8 | Low | 59.6 | Low | 165 Ų | 165 | 127.4 Ų | 127.4 | 77% | 0.771 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | -8.4 | 173.4 | -79.2 | 166.8 | 131.4 | 0 | 0 | 113.9 | K108 | K108-E110 PolarHBondContact O-N 3.02Š|
| 111 | K | 54.3 | Low | 62.5 | Low | 181 Ų | 181 | 119.7 Ų | 119.7 | 79% | 0.787 | 62% | 0.623 | S | S | * | * | trans | -98.1 | 0.7 | -175.6 | -70.8 | -174.7 | 175.7 | -175.1 | 0 | 115.2 | G113 K114 | K111-G113 PolarHBondContact O-N 2.84Å; K111-G113 VanDerWaalsContact O-N 3.15Å; K111-K114 PolarHBondContact O-N 3.32Å | ||
| 112 | N | 58.9 | Low | 65.2 | Low | 151 Ų | 151 | 117 Ų | 117 | 81% | 0.807 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -17.8 | -174.9 | -84 | 47.2 | 0 | 0 | 0 | 114 | ||
| 113 | G | 71.9 | Confident | 68.1 | Low | 28 Ų | 28 | 111.6 Ų | 111.6 | 29% | 0.289 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -9.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K111 H118 F146 | K111-G113 PolarHBondContact O-N 2.84Å; K111-G113 VanDerWaalsContact O-N 3.15Å; G113-H118 PolarHBondContact O-CE1 2.96Å; G113-H118 PolarHBondContact O-ND1 3.47Å; G113-F146 WeakPolarHBondContact O-CE1 3.4Å |
| 114 | K | 81.3 | Confident | 70.9 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -109.7 | 11.2 | -171.3 | -59.5 | -167 | -179.2 | -167.9 | 0 | 114.4 | K111 F119 D150 D161 | K111-K114 PolarHBondContact O-N 3.32Å; K114-F119 VanDerWaalsContact O-CE2 3.25Å; K114-F119 WeakPolarHBondContact O-CE2 3.32Å; K114-D150 IonicContact NZ-OD2 3.49Å; K114-D150 PolarHBondContact NZ-OD2 3.18Å; K114-D161 IonicContact NZ-OD2 3.02Å; K114-D161 PolarHBondContact NZ-OD2 2.59Å |
| 115 | G | 88.6 | Confident | 73.6 | Confident | 34 Ų | 34 | 102.4 Ų | 102.4 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -87.5 | 162.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | R117 H118 F119 | G115-R117 VanDerWaalsContact C-N 3.26Å; G115-R117 PolarHBondContact O-N 3.11Å; G115-H118 WeakPolarHBondContact O-CB 3.03Å; G115-H118 PolarHBondContact O-N 3.03Å; G115-F119 WeakPolarHBondContact O-CD2 3.39Å; G115-F119 PolarHBondContact O-N 3.18Å; G115-F119 VanDerWaalsContact O-N 3.14Å |
| 116 | L | 92.6 | Very high | 76.2 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 41% | 0.414 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -54.8 | -40 | 177.8 | -177.7 | 66.5 | 0 | 0 | 0 | 112.2 | H118 F119 S120 R168 D171 | L116-H118 VanDerWaalsContact C-N 3.26Å; L116-H118 PolarHBondContact O-N 2.84Å; L116-F119 PolarHBondContact O-N 3.29Å; L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 3.12Å; L116-S120 PolarHBondContact O-OG 3.06Å; L116-R168 HydrophobicContact CD1-CB 4.29Å; L116-D171 HydrophobicContact CD1-CB 3.75Å |
| 117 | R | 92.5 | Very high | 79.2 | Confident | 213 Ų | 213 | 83.9 Ų | 83.9 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -55.3 | -40.8 | 175.8 | -175.5 | 178.7 | -177.1 | -81.7 | -0.6 | 112.5 | G115 M121 | G115-R117 VanDerWaalsContact C-N 3.26Å; G115-R117 PolarHBondContact O-N 3.11Å; R117-M121 WeakPolarHBondContact O-CB 3.34Å; R117-M121 PolarHBondContact O-N 3.24Å; R117-M121 VanDerWaalsContact O-N 3.15Å |
| 118 | H | 92.4 | Very high | 81.7 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 20% | 0.204 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -73.2 | -42.9 | -179.8 | -174 | -115.5 | 0 | 0 | 0 | 111.2 | G113 G115 L116 M121 K122 F146 | G113-H118 PolarHBondContact O-CE1 2.96Å; G113-H118 PolarHBondContact O-ND1 3.47Å; G115-H118 WeakPolarHBondContact O-CB 3.03Å; G115-H118 PolarHBondContact O-N 3.03Å; L116-H118 VanDerWaalsContact C-N 3.26Å; L116-H118 PolarHBondContact O-N 2.84Å; H118-M121 WeakPolarHBondContact O-CB 3.38Å; H118-M121 PolarHBondContact O-N 2.91Å; H118-K122 WeakPolarHBondContact O-CG 3.29Å; H118-K122 PolarHBondContact O-N 3.19Å; H118-F146 AromaticContact CE1-CE1 3.68Å; H118-F146 AromaticContact CE1-CZ 3.25Å; H118-F146 WeakPolarHBondContact CE1-CZ 3.29Å; H118-F146 AromaticContact ND1-CE1 3.66Å; H118-F146 AromaticContact ND1-CZ 3.27Å; H118-F146 VanDerWaalsContact ND1-CZ 3.27Å; H118-F146 WeakPolarHBondContact ND1-CZ 3.28Å |
| 119 | F | 94.9 | Very high | 84.5 | Confident | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.4 | -66.8 | -55.1 | 0 | 0 | 0 | 112.6 | K114 G115 L116 M121 K122 V123 F146 I165 R168 | K114-F119 VanDerWaalsContact O-CE2 3.25Å; K114-F119 WeakPolarHBondContact O-CE2 3.32Å; G115-F119 WeakPolarHBondContact O-CD2 3.39Å; G115-F119 PolarHBondContact O-N 3.18Å; G115-F119 VanDerWaalsContact O-N 3.14Å; L116-F119 PolarHBondContact O-N 3.29Å; F119-M121 VanDerWaalsContact C-N 3.3Å; F119-M121 PolarHBondContact O-N 2.97Å; F119-K122 PolarHBondContact O-N 3.35Å; F119-V123 WeakPolarHBondContact O-CB 3.47Å; F119-V123 VanDerWaalsContact O-CG2 3.22Å; F119-V123 WeakPolarHBondContact O-CG2 3.44Å; F119-V123 PolarHBondContact O-N 2.5Å; F119-F146 HydrophobicContact CD1-CE2 4.38Å; F119-F146 HydrophobicContact CD1-CZ 4.08Å; F119-F146 HydrophobicContact CE1-CD1 4.46Å; F119-F146 AromaticContact CE1-CE1 3.94Å; F119-F146 HydrophobicContact CE1-CE1 3.94Å; F119-F146 HydrophobicContact CE1-CE2 4Å; F119-F146 AromaticContact CE1-CZ 3.62Å; F119-F146 HydrophobicContact CE1-CZ 3.62Å; F119-F146 HydrophobicContact CZ-CE1 4.46Å; F119-I165 HydrophobicContact CE1-CB 4.43Å; F119-I165 HydrophobicContact CE1-CD1 4.35Å; F119-I165 HydrophobicContact CE1-CG1 3.63Å; F119-I165 HydrophobicContact CE1-CG2 4.34Å; F119-I165 HydrophobicContact CZ-CG1 3.66Å; F119-R168 HydrophobicContact CB-CB 4.04Å; F119-R168 HydrophobicContact CD2-CB 3.6Å; F119-R168 HydrophobicContact CD2-CG 3.64Å; F119-R168 HydrophobicContact CE2-CB 4.28Å; F119-R168 HydrophobicContact CE2-CG 3.96Å; F119-R168 HydrophobicContact CG-CB 3.96Å; F119-R168 HydrophobicContact CG-CG 4.48Å |
| 120 | S | 95.5 | Very high | 87.2 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 112 | L116 C124 | L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 3.12Å; L116-S120 PolarHBondContact O-OG 3.06Å; S120-C124 VanDerWaalsContact O-CB 3.29Å; S120-C124 WeakPolarHBondContact O-CB 3.49Å; S120-C124 PolarHBondContact O-N 3.32Å |
| 121 | M | 93.7 | Very high | 89.1 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 39% | 0.389 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 174.8 | -175.2 | 176.8 | 75.9 | 0 | 0 | 111.3 | R117 H118 F119 V123 C124 E125 | R117-M121 WeakPolarHBondContact O-CB 3.34Å; R117-M121 PolarHBondContact O-N 3.24Å; R117-M121 VanDerWaalsContact O-N 3.15Å; H118-M121 WeakPolarHBondContact O-CB 3.38Å; H118-M121 PolarHBondContact O-N 2.91Å; F119-M121 VanDerWaalsContact C-N 3.3Å; F119-M121 PolarHBondContact O-N 2.97Å; M121-V123 PolarHBondContact O-N 3.08Å; M121-C124 WeakPolarHBondContact O-CB 3.24Å; M121-C124 PolarHBondContact O-N 3.31Å; M121-E125 WeakPolarHBondContact O-CG 3.45Å; M121-E125 PolarHBondContact O-N 3.23Å |
| 122 | K | 95.5 | Very high | 91.1 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 179.1 | -73.6 | -71.4 | 169.7 | -157.3 | 0 | 113.7 | H118 F119 E125 K126 L142 | H118-K122 WeakPolarHBondContact O-CG 3.29Å; H118-K122 PolarHBondContact O-N 3.19Å; F119-K122 PolarHBondContact O-N 3.35Å; K122-E125 IonicContact NZ-OE2 3.04Å; K122-E125 PolarHBondContact NZ-OE2 2.89Å; K122-E125 VanDerWaalsContact NZ-OE2 3.08Å; K122-K126 WeakPolarHBondContact O-CB 3.4Å; K122-K126 PolarHBondContact O-N 2.97Å; K122-L142 HydrophobicContact CB-CD1 4.47Å; K122-L142 HydrophobicContact CB-CD2 3.67Å; K122-L142 HydrophobicContact CG-CD2 4.44Å |
| 123 | V | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 173.6 | 169.7 | 0 | 0 | 0 | 0 | 110.2 | F119 M121 K126 V127 V138 L142 V169 A172 L173 L176 | F119-V123 WeakPolarHBondContact O-CB 3.47Å; F119-V123 VanDerWaalsContact O-CG2 3.22Å; F119-V123 WeakPolarHBondContact O-CG2 3.44Å; F119-V123 PolarHBondContact O-N 2.5Å; M121-V123 PolarHBondContact O-N 3.08Å; V123-K126 PolarHBondContact O-N 2.85Å; V123-V127 HydrophobicContact CG1-CG2 4.38Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 2.85Å; V123-V138 HydrophobicContact CG1-CG1 4.34Å; V123-V138 HydrophobicContact CG2-CG1 4.15Å; V123-L142 HydrophobicContact CG2-CD1 3.64Å; V123-V169 HydrophobicContact CG2-CB 4.33Å; V123-V169 HydrophobicContact CG2-CG1 4.19Å; V123-V169 HydrophobicContact CG2-CG2 3.92Å; V123-A172 HydrophobicContact CB-CB 4.06Å; V123-A172 HydrophobicContact CG1-CB 4.1Å; V123-A172 HydrophobicContact CG2-CB 4.07Å; V123-L173 HydrophobicContact CG1-CD2 3.64Å; V123-L173 HydrophobicContact CG1-CG 4.05Å; V123-L176 HydrophobicContact CG1-CD1 3.93Å |
| 124 | C | 94.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -51.5 | 177.5 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | S120 M121 K126 V127 Q128 L176 | S120-C124 VanDerWaalsContact O-CB 3.29Å; S120-C124 WeakPolarHBondContact O-CB 3.49Å; S120-C124 PolarHBondContact O-N 3.32Å; M121-C124 WeakPolarHBondContact O-CB 3.24Å; M121-C124 PolarHBondContact O-N 3.31Å; C124-K126 VanDerWaalsContact C-N 3.29Å; C124-K126 PolarHBondContact O-N 2.97Å; C124-V127 PolarHBondContact O-N 3.2Å; C124-Q128 VanDerWaalsContact O-CB 3.28Å; C124-Q128 WeakPolarHBondContact O-CB 3.46Å; C124-Q128 PolarHBondContact O-N 3.1Å; C124-L176 HydrophobicContact CB-CD1 4.32Å |
| 125 | E | 95.1 | Very high | 94.9 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.2 | -41.9 | 176.6 | -73.7 | 172.2 | -172.7 | 0 | 0 | 112.3 | M121 K122 R129 | M121-E125 WeakPolarHBondContact O-CG 3.45Å; M121-E125 PolarHBondContact O-N 3.23Å; K122-E125 IonicContact NZ-OE2 3.04Å; K122-E125 PolarHBondContact NZ-OE2 2.89Å; K122-E125 VanDerWaalsContact NZ-OE2 3.08Å; E125-R129 VanDerWaalsContact O-CB 3.28Å; E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 PolarHBondContact O-N 2.95Å |
| 126 | K | 96 | Very high | 95.3 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.6 | -46.3 | -176.7 | -167.7 | 73.2 | 86.6 | 168.1 | 0 | 111.8 | K122 V123 C124 Q128 R129 K130 V138 E141 E145 | K122-K126 WeakPolarHBondContact O-CB 3.4Å; K122-K126 PolarHBondContact O-N 2.97Å; V123-K126 PolarHBondContact O-N 2.85Å; C124-K126 VanDerWaalsContact C-N 3.29Å; C124-K126 PolarHBondContact O-N 2.97Å; K126-Q128 VanDerWaalsContact C-N 3.33Å; K126-R129 PolarHBondContact O-N 3.19Å; K126-K130 HydrophobicContact CG-CD 4.42Å; K126-K130 PolarHBondContact O-N 3.1Å; K126-K130 VanDerWaalsContact O-N 3.07Å; K126-V138 HydrophobicContact CG-CG2 4.35Å; K126-E141 WeakPolarHBondContact CD-OE2 3.46Å; K126-E141 WeakPolarHBondContact CE-OE2 3.42Å; K126-E141 IonicContact NZ-OE2 3.05Å; K126-E141 PolarHBondContact NZ-OE2 3.22Å; K126-E145 WeakPolarHBondContact CE-OE1 3.46Å; K126-E145 IonicContact NZ-OE1 2.89Å; K126-E145 PolarHBondContact NZ-OE1 3.2Å |
| 127 | V | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.3 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | V123 C124 K130 G131 T133 V138 L173 I182 I189 W191 | V123-V127 HydrophobicContact CG1-CG2 4.38Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 2.85Å; C124-V127 PolarHBondContact O-N 3.2Å; V127-K130 PolarHBondContact O-N 2.83Å; V127-G131 PolarHBondContact O-N 3.26Å; V127-T133 HydrophobicContact CB-CG2 4.37Å; V127-T133 HydrophobicContact CG1-CG2 4.2Å; V127-T133 HydrophobicContact CG2-CG2 3.97Å; V127-V138 HydrophobicContact CG2-CG2 4.1Å; V127-L173 HydrophobicContact CG2-CD2 4.25Å; V127-I182 HydrophobicContact CB-CG2 4.39Å; V127-I182 HydrophobicContact CG1-CG2 3.71Å; V127-I189 HydrophobicContact CG1-CG2 3.95Å; V127-I189 HydrophobicContact CG2-CG2 4.37Å; V127-W191 HydrophobicContact CB-CE3 4.29Å; V127-W191 HydrophobicContact CG1-CB 4.25Å; V127-W191 HydrophobicContact CG1-CE3 4.1Å |
| 128 | Q | 94.2 | Very high | 95.7 | Very high | 101 Ų | 101 | 46.6 Ų | 46.6 | 47% | 0.472 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 174.7 | -176.8 | 174.4 | 21.6 | 0 | 0 | 112.5 | C124 K126 K130 G131 W191 | C124-Q128 VanDerWaalsContact O-CB 3.28Å; C124-Q128 WeakPolarHBondContact O-CB 3.46Å; C124-Q128 PolarHBondContact O-N 3.1Å; K126-Q128 VanDerWaalsContact C-N 3.33Å; Q128-K130 PolarHBondContact O-N 2.71Å; Q128-G131 PolarHBondContact O-N 2.94Å; Q128-W191 VanDerWaalsContact CA-CD2 3.47Å; Q128-W191 HydrophobicContact CB-CD2 3.74Å; Q128-W191 HydrophobicContact CB-CE3 3.74Å; Q128-W191 HydrophobicContact CB-CG 4.46Å; Q128-W191 HydrophobicContact CB-CH2 3.77Å; Q128-W191 HydrophobicContact CB-CZ2 3.76Å; Q128-W191 HydrophobicContact CB-CZ3 3.75Å; Q128-W191 HydrophobicContact CG-CD2 4.05Å; Q128-W191 HydrophobicContact CG-CE3 4.49Å; Q128-W191 HydrophobicContact CG-CH2 4.09Å; Q128-W191 HydrophobicContact CG-CZ2 3.59Å |
| 129 | R | 95.8 | Very high | 95.8 | Very high | 166 Ų | 166 | 44.5 Ų | 44.5 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.6 | -38.5 | -177.7 | -171.6 | -175.6 | -59 | 121.8 | 5.4 | 112.6 | E125 K126 | E125-R129 VanDerWaalsContact O-CB 3.28Å; E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 PolarHBondContact O-N 2.95Å; K126-R129 PolarHBondContact O-N 3.19Å |
| 130 | K | 95.9 | Very high | 95.9 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 30% | 0.3 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -80 | -26.2 | -178.6 | -72.7 | -178.4 | 176.3 | -81.5 | 0 | 113.1 | K126 V127 Q128 T132 T133 E137 E141 | K126-K130 HydrophobicContact CG-CD 4.42Å; K126-K130 PolarHBondContact O-N 3.1Å; K126-K130 VanDerWaalsContact O-N 3.07Å; V127-K130 PolarHBondContact O-N 2.83Å; Q128-K130 PolarHBondContact O-N 2.71Å; K130-T132 PolarHBondContact O-N 3.34Å; K130-T133 WeakPolarHBondContact CD-OG1 3.33Å; K130-E137 HydrophobicContact CD-CG 4.44Å; K130-E137 WeakPolarHBondContact CE-OE1 3.4Å; K130-E137 IonicContact NZ-OE1 3.26Å; K130-E137 PolarHBondContact NZ-OE1 3.02Å; K130-E141 VanDerWaalsContact CE-CD 3.49Å; K130-E141 WeakPolarHBondContact CE-OE1 3.26Å; K130-E141 WeakPolarHBondContact CE-OE2 3.48Å; K130-E141 IonicContact NZ-OE1 3.46Å; K130-E141 PolarHBondContact NZ-OE1 2.93Å; K130-E141 IonicContact NZ-OE2 2.77Å |
| 131 | G | 93.4 | Very high | 95.9 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 73.4 | -54.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V127 Q128 K190 W191 | V127-G131 PolarHBondContact O-N 3.26Å; Q128-G131 PolarHBondContact O-N 2.94Å; G131-K190 CarbonylContact O-C 3.53Å; G131-K190 WeakPolarHBondContact O-CA 3.47Å; G131-W191 WeakPolarHBondContact O-CB 3.34Å; G131-W191 PolarHBondContact O-N 2.77Å |
| 132 | T | 96.7 | Very high | 95.9 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 44% | 0.436 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.1 | 173.2 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | K130 E188 I189 K190 | K130-T132 PolarHBondContact O-N 3.34Å; T132-E188 HydrophobicContact CG2-CG 3.52Å; T132-I189 CarbonylContact C-O 3.58Å; T132-I189 WeakPolarHBondContact CA-O 3.39Å; T132-K190 HydrophobicContact CG2-CG 4.1Å |
| 133 | T | 97.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | -173.2 | -175.7 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | V127 K130 E137 V138 I189 | V127-T133 HydrophobicContact CB-CG2 4.37Å; V127-T133 HydrophobicContact CG1-CG2 4.2Å; V127-T133 HydrophobicContact CG2-CG2 3.97Å; K130-T133 WeakPolarHBondContact CD-OG1 3.33Å; T133-E137 WeakPolarHBondContact CA-OE2 3.26Å; T133-E137 WeakPolarHBondContact CB-OE2 3.46Å; T133-E137 VanDerWaalsContact OG1-CD 3.25Å; T133-E137 PolarHBondContact OG1-OE2 3.2Å; T133-V138 HydrophobicContact CG2-CG2 3.61Å; T133-I189 HydrophobicContact CG2-CB 4.16Å; T133-I189 HydrophobicContact CG2-CG2 4.43Å; T133-I189 PolarHBondContact N-O 3.22Å; T133-I189 PolarHBondContact O-N 3.21Å |
| 134 | S | 97.5 | Very high | 95.5 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 162.7 | 174.1 | 72.9 | 0 | 0 | 0 | 0 | 112.1 | N136 E137 V138 K187 | S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 3.29Å; S134-E137 PolarHBondContact N-OE2 3.4Å; S134-E137 PolarHBondContact O-N 3.31Å; S134-E137 WeakPolarHBondContact OG-CB 3.44Å; S134-E137 PolarHBondContact OG-N 3.37Å; S134-V138 WeakPolarHBondContact O-CG2 3.47Å; S134-V138 PolarHBondContact O-N 3.06Å; S134-K187 WeakPolarHBondContact CA-O 3.22Å; S134-K187 WeakPolarHBondContact CB-O 3.22Å |
| 135 | Y | 97.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.4 | -45.5 | 177.8 | 161.6 | -98.9 | 0 | 0 | 0 | 112.6 | A139 R166 V169 Y170 L173 | Y135-A139 HydrophobicContact CE2-CB 4.18Å; Y135-A139 VanDerWaalsContact O-CB 3.28Å; Y135-A139 WeakPolarHBondContact O-CB 3.37Å; Y135-A139 PolarHBondContact O-N 2.87Å; Y135-R166 WeakPolarHBondContact OH-CB 3.34Å; Y135-V169 HydrophobicContact CD2-CG1 3.85Å; Y135-V169 HydrophobicContact CE2-CB 4.15Å; Y135-V169 HydrophobicContact CE2-CG1 3.78Å; Y135-Y170 AromaticContact CD1-CE1 3.91Å; Y135-Y170 HydrophobicContact CD1-CE1 3.91Å; Y135-Y170 AromaticContact CD2-CD1 3.68Å; Y135-Y170 HydrophobicContact CD2-CD1 3.68Å; Y135-Y170 AromaticContact CD2-CE1 3.4Å; Y135-Y170 HydrophobicContact CD2-CE1 3.4Å; Y135-Y170 AromaticContact CE1-CE1 3.67Å; Y135-Y170 HydrophobicContact CE1-CE1 3.67Å; Y135-Y170 HydrophobicContact CE1-CE2 4.34Å; Y135-Y170 AromaticContact CE1-CZ 3.44Å; Y135-Y170 VanDerWaalsContact CE1-CZ 3.44Å; Y135-Y170 WeakPolarHBondContact CE1-OH 3.19Å; Y135-Y170 AromaticContact CE2-CD1 3.42Å; Y135-Y170 HydrophobicContact CE2-CD1 3.42Å; Y135-Y170 VanDerWaalsContact CE2-CD1 3.42Å; Y135-Y170 HydrophobicContact CE2-CD2 4.14Å; Y135-Y170 AromaticContact CE2-CE1 3.12Å; Y135-Y170 HydrophobicContact CE2-CE1 3.12Å; Y135-Y170 AromaticContact CE2-CE2 3.9Å; Y135-Y170 HydrophobicContact CE2-CE2 3.9Å; Y135-Y170 AromaticContact CE2-CG 3.93Å; Y135-Y170 HydrophobicContact CE2-CG 3.93Å; Y135-Y170 AromaticContact CE2-CZ 3.4Å; Y135-Y170 HydrophobicContact CG-CD1 4.45Å; Y135-Y170 AromaticContact CG-CE1 3.79Å; Y135-Y170 HydrophobicContact CG-CE1 3.79Å; Y135-Y170 AromaticContact CZ-CE1 3.28Å; Y135-Y170 AromaticContact CZ-CE2 3.57Å; Y135-Y170 AromaticContact CZ-CZ 3.02Å; Y135-Y170 WeakPolarHBondContact OH-CE2 3.4Å; Y135-Y170 PolarHBondContact OH-OH 3.31Å; Y135-Y170 VanDerWaalsContact OH-OH 3.11Å; Y135-L173 HydrophobicContact CD2-CD1 3.96Å |
| 136 | N | 96.4 | Very high | 95 | Very high | 87 Ų | 87 | 47.2 Ų | 47.2 | 47% | 0.465 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.9 | -44.4 | -176.8 | -69 | -42.8 | 0 | 0 | 0 | 110.7 | S134 V138 A139 D140 | S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 3.29Å; N136-V138 PolarHBondContact O-N 3.27Å; N136-A139 PolarHBondContact O-N 3.48Å; N136-D140 WeakPolarHBondContact O-CB 3.49Å; N136-D140 PolarHBondContact O-N 3.01Å; N136-D140 VanDerWaalsContact O-OD2 3.12Å |
| 137 | E | 96.5 | Very high | 94.5 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 178 | -174.2 | -177.7 | -168.2 | 0 | 0 | 111.9 | K130 T133 S134 A139 E141 | K130-E137 HydrophobicContact CD-CG 4.44Å; K130-E137 WeakPolarHBondContact CE-OE1 3.4Å; K130-E137 IonicContact NZ-OE1 3.26Å; K130-E137 PolarHBondContact NZ-OE1 3.02Å; T133-E137 WeakPolarHBondContact CA-OE2 3.26Å; T133-E137 WeakPolarHBondContact CB-OE2 3.46Å; T133-E137 VanDerWaalsContact OG1-CD 3.25Å; T133-E137 PolarHBondContact OG1-OE2 3.2Å; S134-E137 PolarHBondContact N-OE2 3.4Å; S134-E137 PolarHBondContact O-N 3.31Å; S134-E137 WeakPolarHBondContact OG-CB 3.44Å; S134-E137 PolarHBondContact OG-N 3.37Å; E137-A139 PolarHBondContact O-N 2.8Å; E137-E141 WeakPolarHBondContact O-CB 3.35Å; E137-E141 WeakPolarHBondContact O-CG 3.2Å; E137-E141 PolarHBondContact O-N 3.4Å; E137-E141 VanDerWaalsContact O-N 3.11Å |
| 138 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | V123 K126 V127 T133 S134 N136 L142 V169 | V123-V138 HydrophobicContact CG1-CG1 4.34Å; V123-V138 HydrophobicContact CG2-CG1 4.15Å; K126-V138 HydrophobicContact CG-CG2 4.35Å; V127-V138 HydrophobicContact CG2-CG2 4.1Å; T133-V138 HydrophobicContact CG2-CG2 3.61Å; S134-V138 WeakPolarHBondContact O-CG2 3.47Å; S134-V138 PolarHBondContact O-N 3.06Å; N136-V138 PolarHBondContact O-N 3.27Å; V138-L142 HydrophobicContact CG1-CD1 4.07Å; V138-L142 VanDerWaalsContact O-CG 3.23Å; V138-L142 WeakPolarHBondContact O-CG 3.45Å; V138-L142 PolarHBondContact O-N 2.84Å; V138-V169 HydrophobicContact CG1-CG1 4.17Å |
| 139 | A | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y135 N136 E137 L142 V143 R166 V169 | Y135-A139 HydrophobicContact CE2-CB 4.18Å; Y135-A139 VanDerWaalsContact O-CB 3.28Å; Y135-A139 WeakPolarHBondContact O-CB 3.37Å; Y135-A139 PolarHBondContact O-N 2.87Å; N136-A139 PolarHBondContact O-N 3.48Å; E137-A139 PolarHBondContact O-N 2.8Å; A139-L142 PolarHBondContact O-N 2.98Å; A139-V143 VanDerWaalsContact O-CG2 3.23Å; A139-V143 WeakPolarHBondContact O-CG2 3.47Å; A139-V143 PolarHBondContact O-N 2.93Å; A139-R166 HydrophobicContact CB-CG 4.08Å; A139-V169 HydrophobicContact CB-CG1 4.48Å; A139-V169 HydrophobicContact CB-CG2 4.44Å |
| 140 | D | 95.2 | Very high | 91.6 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | -177.1 | -71.7 | -37.7 | 0 | 0 | 0 | 111.9 | N136 L142 V143 A144 R166 | N136-D140 WeakPolarHBondContact O-CB 3.49Å; N136-D140 PolarHBondContact O-N 3.01Å; N136-D140 VanDerWaalsContact O-OD2 3.12Å; D140-L142 PolarHBondContact O-N 3.47Å; D140-V143 PolarHBondContact O-N 2.88Å; D140-A144 WeakPolarHBondContact O-CB 3.49Å; D140-A144 PolarHBondContact O-N 3.5Å; D140-R166 IonicContact OD1-CZ 3.08Å; D140-R166 IonicContact OD1-NH2 2.67Å; D140-R166 PolarHBondContact OD1-NH2 3.34Å; D140-R166 IonicContact OD2-NH2 2.6Å; D140-R166 PolarHBondContact OD2-NH2 3.49Å |
| 141 | E | 95.2 | Very high | 90 | Very high | 58 Ų | 58 | 50.3 Ų | 50.3 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 174 | -73.1 | -175.2 | -152.8 | 0 | 0 | 112.3 | K126 K130 E137 A144 E145 | K126-E141 WeakPolarHBondContact CD-OE2 3.46Å; K126-E141 WeakPolarHBondContact CE-OE2 3.42Å; K126-E141 IonicContact NZ-OE2 3.05Å; K126-E141 PolarHBondContact NZ-OE2 3.22Å; K130-E141 VanDerWaalsContact CE-CD 3.49Å; K130-E141 WeakPolarHBondContact CE-OE1 3.26Å; K130-E141 WeakPolarHBondContact CE-OE2 3.48Å; K130-E141 IonicContact NZ-OE1 3.46Å; K130-E141 PolarHBondContact NZ-OE1 2.93Å; K130-E141 IonicContact NZ-OE2 2.77Å; E137-E141 WeakPolarHBondContact O-CB 3.35Å; E137-E141 WeakPolarHBondContact O-CG 3.2Å; E137-E141 PolarHBondContact O-N 3.4Å; E137-E141 VanDerWaalsContact O-N 3.11Å; E141-A144 PolarHBondContact O-N 2.91Å; E141-E145 WeakPolarHBondContact O-CB 3.37Å; E141-E145 WeakPolarHBondContact O-CG 3.17Å; E141-E145 PolarHBondContact O-N 3.38Å |
| 142 | L | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.8 | -37.7 | 175.7 | -67.8 | 178.6 | 0 | 0 | 0 | 112.2 | K122 V123 V138 A139 D140 A144 F146 I165 V169 | K122-L142 HydrophobicContact CB-CD1 4.47Å; K122-L142 HydrophobicContact CB-CD2 3.67Å; K122-L142 HydrophobicContact CG-CD2 4.44Å; V123-L142 HydrophobicContact CG2-CD1 3.64Å; V138-L142 HydrophobicContact CG1-CD1 4.07Å; V138-L142 VanDerWaalsContact O-CG 3.23Å; V138-L142 WeakPolarHBondContact O-CG 3.45Å; V138-L142 PolarHBondContact O-N 2.84Å; A139-L142 PolarHBondContact O-N 2.98Å; D140-L142 PolarHBondContact O-N 3.47Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.42Å; L142-F146 WeakPolarHBondContact O-CD2 3.33Å; L142-F146 PolarHBondContact O-N 3.05Å; L142-F146 VanDerWaalsContact O-N 3.17Å; L142-I165 HydrophobicContact CB-CG2 4Å; L142-V169 HydrophobicContact CD1-CG2 3.83Å |
| 143 | V | 93.3 | Very high | 86.4 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 9% | 0.085 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | A139 D140 S147 Q162 I165 | A139-V143 VanDerWaalsContact O-CG2 3.23Å; A139-V143 WeakPolarHBondContact O-CG2 3.47Å; A139-V143 PolarHBondContact O-N 2.93Å; D140-V143 PolarHBondContact O-N 2.88Å; V143-S147 VanDerWaalsContact O-CB 3.27Å; V143-S147 WeakPolarHBondContact O-CB 3.41Å; V143-S147 PolarHBondContact O-N 3.43Å; V143-S147 PolarHBondContact O-OG 3.48Å; V143-Q162 HydrophobicContact CG1-CB 4.02Å; V143-Q162 HydrophobicContact CG1-CG 3.87Å; V143-Q162 HydrophobicContact CG2-CB 4.38Å; V143-Q162 HydrophobicContact CG2-CG 3.94Å; V143-I165 HydrophobicContact CG2-CB 4.01Å; V143-I165 HydrophobicContact CG2-CD1 4.09Å; V143-I165 HydrophobicContact CG2-CG2 3.86Å |
| 144 | A | 91.5 | Very high | 84.7 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D140 E141 L142 F146 S147 A148 | D140-A144 WeakPolarHBondContact O-CB 3.49Å; D140-A144 PolarHBondContact O-N 3.5Å; E141-A144 PolarHBondContact O-N 2.91Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.42Å; A144-F146 PolarHBondContact O-N 3.32Å; A144-S147 PolarHBondContact O-N 2.92Å; A144-A148 WeakPolarHBondContact O-CB 3.23Å; A144-A148 PolarHBondContact O-N 3.35Å |
| 145 | E | 90.8 | Very high | 83.1 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 179 | -78.6 | 177 | -159.8 | 0 | 0 | 112.6 | K126 E141 A149 | K126-E145 WeakPolarHBondContact CE-OE1 3.46Å; K126-E145 IonicContact NZ-OE1 2.89Å; K126-E145 PolarHBondContact NZ-OE1 3.2Å; E141-E145 WeakPolarHBondContact O-CB 3.37Å; E141-E145 WeakPolarHBondContact O-CG 3.17Å; E141-E145 PolarHBondContact O-N 3.38Å; E145-A149 PolarHBondContact O-N 3.37Å |
| 146 | F | 87.3 | Confident | 81.6 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 16% | 0.158 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -78.3 | -30.9 | -179.3 | -80.2 | -104.3 | 0 | 0 | 0 | 113 | G113 H118 F119 L142 A144 A148 D150 I165 | G113-F146 WeakPolarHBondContact O-CE1 3.4Å; H118-F146 AromaticContact CE1-CE1 3.68Å; H118-F146 AromaticContact CE1-CZ 3.25Å; H118-F146 WeakPolarHBondContact CE1-CZ 3.29Å; H118-F146 AromaticContact ND1-CE1 3.66Å; H118-F146 AromaticContact ND1-CZ 3.27Å; H118-F146 VanDerWaalsContact ND1-CZ 3.27Å; H118-F146 WeakPolarHBondContact ND1-CZ 3.28Å; F119-F146 HydrophobicContact CD1-CE2 4.38Å; F119-F146 HydrophobicContact CD1-CZ 4.08Å; F119-F146 HydrophobicContact CE1-CD1 4.46Å; F119-F146 AromaticContact CE1-CE1 3.94Å; F119-F146 HydrophobicContact CE1-CE1 3.94Å; F119-F146 HydrophobicContact CE1-CE2 4Å; F119-F146 AromaticContact CE1-CZ 3.62Å; F119-F146 HydrophobicContact CE1-CZ 3.62Å; F119-F146 HydrophobicContact CZ-CE1 4.46Å; L142-F146 WeakPolarHBondContact O-CD2 3.33Å; L142-F146 PolarHBondContact O-N 3.05Å; L142-F146 VanDerWaalsContact O-N 3.17Å; A144-F146 PolarHBondContact O-N 3.32Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-D150 PolarHBondContact O-N 3.27Å; F146-I165 HydrophobicContact CB-CD1 4.09Å; F146-I165 HydrophobicContact CG-CD1 4.39Å |
| 147 | S | 86 | Confident | 80.4 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 33% | 0.329 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.5 | -32.4 | 175.2 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | V143 A144 | V143-S147 VanDerWaalsContact O-CB 3.27Å; V143-S147 WeakPolarHBondContact O-CB 3.41Å; V143-S147 PolarHBondContact O-N 3.43Å; V143-S147 PolarHBondContact O-OG 3.48Å; A144-S147 PolarHBondContact O-N 2.92Å |
| 148 | A | 81.1 | Confident | 79.4 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 55% | 0.554 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -76.8 | -28.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A144 F146 | A144-A148 WeakPolarHBondContact O-CB 3.23Å; A144-A148 PolarHBondContact O-N 3.35Å; F146-A148 VanDerWaalsContact C-N 3.33Å |
| 149 | A | 76.6 | Confident | 78.6 | Confident | 82 Ų | 82 | 73 Ų | 73 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -75.6 | -25.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E145 | E145-A149 PolarHBondContact O-N 3.37Å |
| 150 | D | 68.6 | Low | 77.9 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 34% | 0.342 | 45% | 0.451 | S | S | . | . | trans | -105.7 | 73.9 | -173.6 | -145.2 | -6 | 0 | 0 | 0 | 108.2 | K114 F146 H152 I153 | K114-D150 IonicContact NZ-OD2 3.49Å; K114-D150 PolarHBondContact NZ-OD2 3.18Å; F146-D150 PolarHBondContact O-N 3.27Å; D150-H152 PolarHBondContact O-N 3.06Å; D150-I153 HydrophobicContact CB-CD1 3.61Å; D150-I153 HydrophobicContact CB-CG1 3.89Å; D150-I153 WeakPolarHBondContact O-CG1 3.39Å; D150-I153 PolarHBondContact O-N 3.41Å | ||
| 151 | N | 61.3 | Low | 77.5 | Confident | 155 Ų | 155 | 78.6 Ų | 78.6 | 83% | 0.829 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 9.5 | -173.5 | -81.9 | -40 | 0 | 0 | 0 | 115.6 | ||
| 152 | H | 55.4 | Low | 77.3 | Confident | 175 Ų | 175 | 79.5 Ų | 79.5 | 81% | 0.81 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 21.5 | -174.6 | -141.6 | -62.5 | 0 | 0 | 0 | 114.6 | D150 L154 | D150-H152 PolarHBondContact O-N 3.06Å; H152-L154 PolarHBondContact O-N 3.43Å |
| 153 | I | 60 | Low | 77.3 | Confident | 42 Ų | 42 | 87.2 Ų | 87.2 | 22% | 0.215 | 48% | 0.48 | C | S | . | . | trans | -73.2 | 124 | -176.5 | -68.7 | 165.9 | 0 | 0 | 0 | 112.4 | D150 E157 | D150-I153 HydrophobicContact CB-CD1 3.61Å; D150-I153 HydrophobicContact CB-CG1 3.89Å; D150-I153 WeakPolarHBondContact O-CG1 3.39Å; D150-I153 PolarHBondContact O-N 3.41Å; I153-E157 HydrophobicContact CG2-CB 3.98Å | ||
| 154 | L | 60.7 | Low | 77.2 | Confident | 124 Ų | 124 | 88.9 Ų | 88.9 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | trans | -64.6 | 141.7 | 162.4 | -73.3 | 164.5 | 0 | 0 | 0 | 109.7 | H152 N156 E157 | H152-L154 PolarHBondContact O-N 3.43Å; L154-N156 PolarHBondContact O-N 3.28Å; L154-E157 PolarHBondContact O-N 2.97Å | ||
| 155 | P | 64.2 | Low | 77.3 | Confident | 114 Ų | 114 | 86.2 Ų | 86.2 | 74% | 0.74 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -52.2 | -22.3 | -174.7 | -27.1 | 33.2 | 0 | 0 | 0 | 115.8 | S158 | P155-S158 PolarHBondContact O-OG 3.35Å |
| 156 | N | 65.8 | Low | 77.5 | Confident | 145 Ų | 145 | 85.4 Ų | 85.4 | 78% | 0.775 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -84 | -26.1 | -177.5 | -143.7 | 21 | 0 | 0 | 0 | 113.3 | L154 | L154-N156 PolarHBondContact O-N 3.28Å |
| 157 | E | 71 | Confident | 77.9 | Confident | 115 Ų | 115 | 89.6 Ų | 89.6 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -79.3 | -33.5 | 179.4 | -76.8 | -169.9 | 151.9 | 0 | 0 | 112.2 | I153 L154 A159 Y160 D161 | I153-E157 HydrophobicContact CG2-CB 3.98Å; L154-E157 PolarHBondContact O-N 2.97Å; E157-A159 VanDerWaalsContact C-N 3.3Å; E157-A159 PolarHBondContact O-N 3.21Å; E157-Y160 PolarHBondContact O-N 3.02Å; E157-Y160 VanDerWaalsContact O-N 3.11Å; E157-D161 PolarHBondContact O-N 3.35Å |
| 158 | S | 75 | Confident | 78.4 | Confident | 42 Ų | 42 | 90.8 Ų | 90.8 | 29% | 0.294 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 177.6 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | P155 D161 Q162 | P155-S158 PolarHBondContact O-OG 3.35Å; S158-D161 PolarHBondContact O-N 2.99Å; S158-Q162 WeakPolarHBondContact O-CB 3.49Å; S158-Q162 PolarHBondContact O-N 3.27Å |
| 159 | A | 81.1 | Confident | 79.1 | Confident | 44 Ų | 44 | 87.6 Ų | 87.6 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E157 K163 | E157-A159 VanDerWaalsContact C-N 3.3Å; E157-A159 PolarHBondContact O-N 3.21Å; A159-K163 PolarHBondContact O-N 2.75Å |
| 160 | Y | 81.9 | Confident | 80.1 | Confident | 154 Ų | 154 | 88.8 Ų | 88.8 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.6 | -46.6 | 175.1 | -178 | -91.8 | 0 | 0 | 0 | 111.1 | E157 Q162 K163 N164 | E157-Y160 PolarHBondContact O-N 3.02Å; E157-Y160 VanDerWaalsContact O-N 3.11Å; Y160-Q162 VanDerWaalsContact C-N 3.3Å; Y160-Q162 PolarHBondContact O-N 2.86Å; Y160-K163 PolarHBondContact O-N 2.77Å; Y160-N164 WeakPolarHBondContact O-CB 3.44Å; Y160-N164 PolarHBondContact O-N 2.97Å |
| 161 | D | 86 | Confident | 81.4 | Confident | 33 Ų | 33 | 87.4 Ų | 87.4 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 178.1 | -82.9 | 0.6 | 0 | 0 | 0 | 110.7 | K114 E157 S158 K163 N164 I165 | K114-D161 IonicContact NZ-OD2 3.02Å; K114-D161 PolarHBondContact NZ-OD2 2.59Å; E157-D161 PolarHBondContact O-N 3.35Å; S158-D161 PolarHBondContact O-N 2.99Å; D161-K163 PolarHBondContact O-N 3.24Å; D161-N164 PolarHBondContact O-N 3.28Å; D161-I165 WeakPolarHBondContact O-CB 3.39Å; D161-I165 WeakPolarHBondContact O-CG1 3.24Å; D161-I165 PolarHBondContact O-N 3.13Å |
| 162 | Q | 92.3 | Very high | 83.2 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 174.4 | -176.3 | 177.2 | 26.2 | 0 | 0 | 112.9 | V143 S158 Y160 N164 R166 | V143-Q162 HydrophobicContact CG1-CB 4.02Å; V143-Q162 HydrophobicContact CG1-CG 3.87Å; V143-Q162 HydrophobicContact CG2-CB 4.38Å; V143-Q162 HydrophobicContact CG2-CG 3.94Å; S158-Q162 WeakPolarHBondContact O-CB 3.49Å; S158-Q162 PolarHBondContact O-N 3.27Å; Y160-Q162 VanDerWaalsContact C-N 3.3Å; Y160-Q162 PolarHBondContact O-N 2.86Å; Q162-N164 VanDerWaalsContact C-N 3.32Å; Q162-N164 PolarHBondContact O-N 3.12Å; Q162-R166 WeakPolarHBondContact O-CB 3.38Å; Q162-R166 WeakPolarHBondContact O-CG 3.5Å; Q162-R166 PolarHBondContact O-N 2.84Å; Q162-R166 VanDerWaalsContact O-N 3.11Å |
| 163 | K | 92.6 | Very high | 85.1 | Confident | 162 Ų | 162 | 72 Ų | 72 | 70% | 0.704 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 177.4 | -73.1 | 179.1 | -179 | 177.8 | 0 | 111.5 | A159 Y160 D161 R167 | A159-K163 PolarHBondContact O-N 2.75Å; Y160-K163 PolarHBondContact O-N 2.77Å; D161-K163 PolarHBondContact O-N 3.24Å; K163-R167 PolarHBondContact O-N 3.49Å |
| 164 | N | 91.8 | Very high | 86.8 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.6 | -51.5 | 179 | -164.3 | -73.8 | 0 | 0 | 0 | 111.4 | Y160 D161 Q162 R166 R167 R168 | Y160-N164 WeakPolarHBondContact O-CB 3.44Å; Y160-N164 PolarHBondContact O-N 2.97Å; D161-N164 PolarHBondContact O-N 3.28Å; Q162-N164 VanDerWaalsContact C-N 3.32Å; Q162-N164 PolarHBondContact O-N 3.12Å; N164-R166 PolarHBondContact O-N 3.43Å; N164-R167 WeakPolarHBondContact O-CB 3.47Å; N164-R167 PolarHBondContact O-N 3.34Å; N164-R167 VanDerWaalsContact O-N 3.16Å; N164-R168 VanDerWaalsContact O-CG 3.31Å; N164-R168 WeakPolarHBondContact O-CG 3.38Å; N164-R168 PolarHBondContact O-N 2.91Å |
| 165 | I | 93.4 | Very high | 88.5 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.3 | -49.9 | 179 | -67.4 | 167.2 | 0 | 0 | 0 | 110.2 | F119 L142 V143 F146 D161 R167 R168 V169 | F119-I165 HydrophobicContact CE1-CB 4.43Å; F119-I165 HydrophobicContact CE1-CD1 4.35Å; F119-I165 HydrophobicContact CE1-CG1 3.63Å; F119-I165 HydrophobicContact CE1-CG2 4.34Å; F119-I165 HydrophobicContact CZ-CG1 3.66Å; L142-I165 HydrophobicContact CB-CG2 4Å; V143-I165 HydrophobicContact CG2-CB 4.01Å; V143-I165 HydrophobicContact CG2-CD1 4.09Å; V143-I165 HydrophobicContact CG2-CG2 3.86Å; F146-I165 HydrophobicContact CB-CD1 4.09Å; F146-I165 HydrophobicContact CG-CD1 4.39Å; D161-I165 WeakPolarHBondContact O-CB 3.39Å; D161-I165 WeakPolarHBondContact O-CG1 3.24Å; D161-I165 PolarHBondContact O-N 3.13Å; I165-R167 VanDerWaalsContact C-N 3.32Å; I165-R167 PolarHBondContact O-N 3.49Å; I165-R168 CarbonylContact O-C 3.54Å; I165-R168 PolarHBondContact O-N 3.41Å; I165-V169 HydrophobicContact CG2-CG2 4.19Å; I165-V169 WeakPolarHBondContact O-CG2 3.49Å; I165-V169 PolarHBondContact O-N 3.43Å |
| 166 | R | 96 | Very high | 89.9 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.7 | -45.2 | 177.9 | -79.8 | 178.8 | 173.1 | -88.7 | 7 | 112.5 | Y135 A139 D140 Q162 N164 R168 V169 Y170 | Y135-R166 WeakPolarHBondContact OH-CB 3.34Å; A139-R166 HydrophobicContact CB-CG 4.08Å; D140-R166 IonicContact OD1-CZ 3.08Å; D140-R166 IonicContact OD1-NH2 2.67Å; D140-R166 PolarHBondContact OD1-NH2 3.34Å; D140-R166 IonicContact OD2-NH2 2.6Å; D140-R166 PolarHBondContact OD2-NH2 3.49Å; Q162-R166 WeakPolarHBondContact O-CB 3.38Å; Q162-R166 WeakPolarHBondContact O-CG 3.5Å; Q162-R166 PolarHBondContact O-N 2.84Å; Q162-R166 VanDerWaalsContact O-N 3.11Å; N164-R166 PolarHBondContact O-N 3.43Å; R166-R168 VanDerWaalsContact C-N 3.34Å; R166-R168 PolarHBondContact O-N 2.89Å; R166-V169 PolarHBondContact O-N 3.49Å; R166-Y170 VanDerWaalsContact O-CD2 3.23Å; R166-Y170 WeakPolarHBondContact O-CD2 3.26Å; R166-Y170 PolarHBondContact O-N 3.35Å |
| 167 | R | 95.3 | Very high | 91.2 | Very high | 124 Ų | 124 | 64.9 Ų | 64.9 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.7 | -179.9 | 65.3 | -166.8 | 81.4 | 5.8 | 111.9 | K163 N164 I165 Y170 D171 | K163-R167 PolarHBondContact O-N 3.49Å; N164-R167 WeakPolarHBondContact O-CB 3.47Å; N164-R167 PolarHBondContact O-N 3.34Å; N164-R167 VanDerWaalsContact O-N 3.16Å; I165-R167 VanDerWaalsContact C-N 3.32Å; I165-R167 PolarHBondContact O-N 3.49Å; R167-Y170 PolarHBondContact O-N 3.48Å; R167-D171 IonicContact CZ-OD1 2.81Å; R167-D171 IonicContact CZ-OD2 2.76Å; R167-D171 IonicContact NH1-OD1 3.41Å; R167-D171 PolarHBondContact NH1-OD1 3.39Å; R167-D171 IonicContact NH1-OD2 3.6Å; R167-D171 PolarHBondContact NH1-OD2 3.39Å; R167-D171 IonicContact NH2-OD1 3.51Å; R167-D171 PolarHBondContact NH2-OD1 3.41Å; R167-D171 IonicContact NH2-OD2 3.16Å; R167-D171 PolarHBondContact O-N 3.26Å |
| 168 | R | 95.8 | Very high | 92.3 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 28% | 0.275 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.4 | -33.3 | -179.8 | -62.6 | -71.1 | 85 | 124.4 | -2.4 | 112.9 | L116 F119 N164 I165 R166 Y170 D171 A172 | L116-R168 HydrophobicContact CD1-CB 4.29Å; F119-R168 HydrophobicContact CB-CB 4.04Å; F119-R168 HydrophobicContact CD2-CB 3.6Å; F119-R168 HydrophobicContact CD2-CG 3.64Å; F119-R168 HydrophobicContact CE2-CB 4.28Å; F119-R168 HydrophobicContact CE2-CG 3.96Å; F119-R168 HydrophobicContact CG-CB 3.96Å; F119-R168 HydrophobicContact CG-CG 4.48Å; N164-R168 VanDerWaalsContact O-CG 3.31Å; N164-R168 WeakPolarHBondContact O-CG 3.38Å; N164-R168 PolarHBondContact O-N 2.91Å; I165-R168 CarbonylContact O-C 3.54Å; I165-R168 PolarHBondContact O-N 3.41Å; R166-R168 VanDerWaalsContact C-N 3.34Å; R166-R168 PolarHBondContact O-N 2.89Å; R168-Y170 VanDerWaalsContact C-N 3.33Å; R168-Y170 PolarHBondContact O-N 2.92Å; R168-D171 IonicContact CZ-OD2 2.64Å; R168-D171 VanDerWaalsContact CZ-OD2 3.3Å; R168-D171 IonicContact NE-OD2 2.76Å; R168-D171 PolarHBondContact NE-OD2 2.94Å; R168-D171 IonicContact NH2-OD2 3.3Å; R168-D171 PolarHBondContact NH2-OD2 3.42Å; R168-D171 PolarHBondContact O-N 2.92Å; R168-A172 PolarHBondContact O-N 3.36Å |
| 169 | V | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | V123 Y135 V138 A139 L142 I165 R166 D171 A172 L173 | V123-V169 HydrophobicContact CG2-CB 4.33Å; V123-V169 HydrophobicContact CG2-CG1 4.19Å; V123-V169 HydrophobicContact CG2-CG2 3.92Å; Y135-V169 HydrophobicContact CD2-CG1 3.85Å; Y135-V169 HydrophobicContact CE2-CB 4.15Å; Y135-V169 HydrophobicContact CE2-CG1 3.78Å; V138-V169 HydrophobicContact CG1-CG1 4.17Å; A139-V169 HydrophobicContact CB-CG1 4.48Å; A139-V169 HydrophobicContact CB-CG2 4.44Å; L142-V169 HydrophobicContact CD1-CG2 3.83Å; I165-V169 HydrophobicContact CG2-CG2 4.19Å; I165-V169 WeakPolarHBondContact O-CG2 3.49Å; I165-V169 PolarHBondContact O-N 3.43Å; R166-V169 PolarHBondContact O-N 3.49Å; V169-D171 PolarHBondContact O-N 2.85Å; V169-A172 PolarHBondContact O-N 2.99Å; V169-L173 HydrophobicContact CG1-CD1 3.79Å; V169-L173 HydrophobicContact CG1-CG 4.22Å; V169-L173 WeakPolarHBondContact O-CB 3.33Å; V169-L173 VanDerWaalsContact O-CG 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.33Å; V169-L173 PolarHBondContact O-N 3.41Å |
| 170 | Y | 96.7 | Very high | 93.4 | Very high | 107 Ų | 107 | 70 Ų | 70 | 42% | 0.42 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 174.2 | -67.8 | -56.3 | 0 | 0 | 0 | 113 | Y135 R166 R167 R168 A172 L173 N174 | Y135-Y170 AromaticContact CD1-CE1 3.91Å; Y135-Y170 HydrophobicContact CD1-CE1 3.91Å; Y135-Y170 AromaticContact CD2-CD1 3.68Å; Y135-Y170 HydrophobicContact CD2-CD1 3.68Å; Y135-Y170 AromaticContact CD2-CE1 3.4Å; Y135-Y170 HydrophobicContact CD2-CE1 3.4Å; Y135-Y170 AromaticContact CE1-CE1 3.67Å; Y135-Y170 HydrophobicContact CE1-CE1 3.67Å; Y135-Y170 HydrophobicContact CE1-CE2 4.34Å; Y135-Y170 AromaticContact CE1-CZ 3.44Å; Y135-Y170 VanDerWaalsContact CE1-CZ 3.44Å; Y135-Y170 WeakPolarHBondContact CE1-OH 3.19Å; Y135-Y170 AromaticContact CE2-CD1 3.42Å; Y135-Y170 HydrophobicContact CE2-CD1 3.42Å; Y135-Y170 VanDerWaalsContact CE2-CD1 3.42Å; Y135-Y170 HydrophobicContact CE2-CD2 4.14Å; Y135-Y170 AromaticContact CE2-CE1 3.12Å; Y135-Y170 HydrophobicContact CE2-CE1 3.12Å; Y135-Y170 AromaticContact CE2-CE2 3.9Å; Y135-Y170 HydrophobicContact CE2-CE2 3.9Å; Y135-Y170 AromaticContact CE2-CG 3.93Å; Y135-Y170 HydrophobicContact CE2-CG 3.93Å; Y135-Y170 AromaticContact CE2-CZ 3.4Å; Y135-Y170 HydrophobicContact CG-CD1 4.45Å; Y135-Y170 AromaticContact CG-CE1 3.79Å; Y135-Y170 HydrophobicContact CG-CE1 3.79Å; Y135-Y170 AromaticContact CZ-CE1 3.28Å; Y135-Y170 AromaticContact CZ-CE2 3.57Å; Y135-Y170 AromaticContact CZ-CZ 3.02Å; Y135-Y170 WeakPolarHBondContact OH-CE2 3.4Å; Y135-Y170 PolarHBondContact OH-OH 3.31Å; Y135-Y170 VanDerWaalsContact OH-OH 3.11Å; R166-Y170 VanDerWaalsContact O-CD2 3.23Å; R166-Y170 WeakPolarHBondContact O-CD2 3.26Å; R166-Y170 PolarHBondContact O-N 3.35Å; R167-Y170 PolarHBondContact O-N 3.48Å; R168-Y170 VanDerWaalsContact C-N 3.33Å; R168-Y170 PolarHBondContact O-N 2.92Å; Y170-A172 VanDerWaalsContact C-N 3.34Å; Y170-A172 PolarHBondContact O-N 3.43Å; Y170-L173 PolarHBondContact O-N 2.9Å; Y170-N174 VanDerWaalsContact O-CG 3.27Å; Y170-N174 PolarHBondContact O-N 2.99Å; Y170-N174 VanDerWaalsContact O-N 3.1Å |
| 171 | D | 97 | Very high | 93.9 | Very high | 34 Ų | 34 | 63.3 Ų | 63.3 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 177.2 | -71.9 | -36.2 | 0 | 0 | 0 | 110.8 | L116 R167 R168 V169 V175 | L116-D171 HydrophobicContact CD1-CB 3.75Å; R167-D171 IonicContact CZ-OD1 2.81Å; R167-D171 IonicContact CZ-OD2 2.76Å; R167-D171 IonicContact NH1-OD1 3.41Å; R167-D171 PolarHBondContact NH1-OD1 3.39Å; R167-D171 IonicContact NH1-OD2 3.6Å; R167-D171 PolarHBondContact NH1-OD2 3.39Å; R167-D171 IonicContact NH2-OD1 3.51Å; R167-D171 PolarHBondContact NH2-OD1 3.41Å; R167-D171 IonicContact NH2-OD2 3.16Å; R167-D171 PolarHBondContact O-N 3.26Å; R168-D171 IonicContact CZ-OD2 2.64Å; R168-D171 VanDerWaalsContact CZ-OD2 3.3Å; R168-D171 IonicContact NE-OD2 2.76Å; R168-D171 PolarHBondContact NE-OD2 2.94Å; R168-D171 IonicContact NH2-OD2 3.3Å; R168-D171 PolarHBondContact NH2-OD2 3.42Å; R168-D171 PolarHBondContact O-N 2.92Å; V169-D171 PolarHBondContact O-N 2.85Å; D171-V175 WeakPolarHBondContact O-CG2 3.19Å; D171-V175 PolarHBondContact O-N 3.22Å |
| 172 | A | 97.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V123 R168 V169 Y170 N174 V175 L176 | V123-A172 HydrophobicContact CB-CB 4.06Å; V123-A172 HydrophobicContact CG1-CB 4.1Å; V123-A172 HydrophobicContact CG2-CB 4.07Å; R168-A172 PolarHBondContact O-N 3.36Å; V169-A172 PolarHBondContact O-N 2.99Å; Y170-A172 VanDerWaalsContact C-N 3.34Å; Y170-A172 PolarHBondContact O-N 3.43Å; A172-N174 VanDerWaalsContact C-N 3.34Å; A172-N174 PolarHBondContact O-N 3.25Å; A172-V175 PolarHBondContact O-N 3.17Å; A172-L176 WeakPolarHBondContact O-CB 3.4Å; A172-L176 VanDerWaalsContact O-CG 3.26Å; A172-L176 WeakPolarHBondContact O-CG 3.34Å; A172-L176 PolarHBondContact O-N 3.41Å |
| 173 | L | 97 | Very high | 94.4 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | -178.8 | -71.1 | 173.5 | 0 | 0 | 0 | 112.2 | V123 V127 Y135 V169 Y170 V175 L176 M177 I182 I189 | V123-L173 HydrophobicContact CG1-CD2 3.64Å; V123-L173 HydrophobicContact CG1-CG 4.05Å; V127-L173 HydrophobicContact CG2-CD2 4.25Å; Y135-L173 HydrophobicContact CD2-CD1 3.96Å; V169-L173 HydrophobicContact CG1-CD1 3.79Å; V169-L173 HydrophobicContact CG1-CG 4.22Å; V169-L173 WeakPolarHBondContact O-CB 3.33Å; V169-L173 VanDerWaalsContact O-CG 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.33Å; V169-L173 PolarHBondContact O-N 3.41Å; Y170-L173 PolarHBondContact O-N 2.9Å; L173-V175 VanDerWaalsContact C-N 3.35Å; L173-V175 PolarHBondContact O-N 2.88Å; L173-L176 PolarHBondContact O-N 3.17Å; L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 PolarHBondContact O-N 3.31Å; L173-I182 HydrophobicContact CB-CD1 4.29Å; L173-I182 HydrophobicContact CD2-CD1 3.46Å; L173-I182 VanDerWaalsContact CD2-CD1 3.46Å; L173-I182 HydrophobicContact CG-CD1 4.49Å; L173-I189 HydrophobicContact CD1-CD1 3.77Å; L173-I189 HydrophobicContact CD2-CD1 4.06Å; L173-I189 HydrophobicContact CD2-CG2 4.46Å |
| 174 | N | 95.9 | Very high | 94.5 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 178.8 | -72 | -9.8 | 0 | 0 | 0 | 112 | Y170 A172 A178 | Y170-N174 VanDerWaalsContact O-CG 3.27Å; Y170-N174 PolarHBondContact O-N 2.99Å; Y170-N174 VanDerWaalsContact O-N 3.1Å; A172-N174 VanDerWaalsContact C-N 3.34Å; A172-N174 PolarHBondContact O-N 3.25Å; N174-A178 WeakPolarHBondContact O-CB 3.33Å; N174-A178 PolarHBondContact O-N 3.25Å |
| 175 | V | 95.1 | Very high | 94.6 | Very high | 93 Ų | 93 | 61.2 Ų | 61.2 | 56% | 0.564 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.4 | -44.4 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 111 | D171 A172 L173 M177 A178 M179 | D171-V175 WeakPolarHBondContact O-CG2 3.19Å; D171-V175 PolarHBondContact O-N 3.22Å; A172-V175 PolarHBondContact O-N 3.17Å; L173-V175 VanDerWaalsContact C-N 3.35Å; L173-V175 PolarHBondContact O-N 2.88Å; V175-M177 VanDerWaalsContact C-N 3.26Å; V175-M177 PolarHBondContact O-N 3.33Å; V175-A178 PolarHBondContact O-N 3.49Å; V175-M179 HydrophobicContact CG1-CG 4.44Å; V175-M179 WeakPolarHBondContact O-CB 3.16Å; V175-M179 VanDerWaalsContact O-CG 3.31Å; V175-M179 WeakPolarHBondContact O-CG 3.2Å; V175-M179 PolarHBondContact O-N 3.41Å |
| 176 | L | 94.8 | Very high | 94.5 | Very high | 20 Ų | 20 | 69.7 Ų | 69.7 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 177.1 | -70 | 173.1 | 0 | 0 | 0 | 111.8 | V123 C124 A172 L173 M179 N180 I181 I182 | V123-L176 HydrophobicContact CG1-CD1 3.93Å; C124-L176 HydrophobicContact CB-CD1 4.32Å; A172-L176 WeakPolarHBondContact O-CB 3.4Å; A172-L176 VanDerWaalsContact O-CG 3.26Å; A172-L176 WeakPolarHBondContact O-CG 3.34Å; A172-L176 PolarHBondContact O-N 3.41Å; L173-L176 PolarHBondContact O-N 3.17Å; L176-M179 PolarHBondContact O-N 3.14Å; L176-N180 PolarHBondContact O-N 3.07Å; L176-I181 HydrophobicContact CB-CB 4.45Å; L176-I181 HydrophobicContact CD2-CB 4.2Å; L176-I181 HydrophobicContact CD2-CD1 3.81Å; L176-I181 HydrophobicContact CD2-CG2 4.06Å; L176-I181 WeakPolarHBondContact O-CB 3.38Å; L176-I181 PolarHBondContact O-N 2.79Å; L176-I182 HydrophobicContact CB-CD1 3.7Å; L176-I182 HydrophobicContact CB-CG1 3.8Å; L176-I182 HydrophobicContact CB-CG2 4.35Å; L176-I182 HydrophobicContact CD1-CD1 4.46Å; L176-I182 PolarHBondContact O-N 3.27Å |
| 177 | M | 93 | Very high | 94.4 | Very high | 67 Ų | 67 | 75.2 Ų | 75.2 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 175.8 | -169.1 | -170.7 | -33.1 | 0 | 0 | 111.6 | L173 V175 M179 N180 I182 K184 | L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 PolarHBondContact O-N 3.31Å; V175-M177 VanDerWaalsContact C-N 3.26Å; V175-M177 PolarHBondContact O-N 3.33Å; M177-M179 PolarHBondContact O-N 3.22Å; M177-N180 PolarHBondContact O-N 3.28Å; M177-I182 HydrophobicContact CB-CG1 4.12Å; M177-K184 HydrophobicContact CE-CB 3.74Å; M177-K184 HydrophobicContact CE-CD 3.65Å; M177-K184 HydrophobicContact CE-CG 4.34Å; M177-K184 HydrophobicContact SD-CB 3.99Å |
| 178 | A | 93.2 | Very high | 94.4 | Very high | 86 Ų | 86 | 73 Ų | 73 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.7 | -30.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N174 V175 N180 | N174-A178 WeakPolarHBondContact O-CB 3.33Å; N174-A178 PolarHBondContact O-N 3.25Å; V175-A178 PolarHBondContact O-N 3.49Å; A178-N180 VanDerWaalsContact C-N 3.27Å |
| 179 | M | 90.3 | Very high | 94.5 | Very high | 112 Ų | 112 | 69.6 Ų | 69.6 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 6.9 | 175.3 | -65.9 | -61.7 | -62.3 | 0 | 0 | 113.6 | V175 L176 M177 I181 | V175-M179 HydrophobicContact CG1-CG 4.44Å; V175-M179 WeakPolarHBondContact O-CB 3.16Å; V175-M179 VanDerWaalsContact O-CG 3.31Å; V175-M179 WeakPolarHBondContact O-CG 3.2Å; V175-M179 PolarHBondContact O-N 3.41Å; L176-M179 PolarHBondContact O-N 3.14Å; M177-M179 PolarHBondContact O-N 3.22Å; M179-I181 HydrophobicContact CB-CD1 3.86Å; M179-I181 HydrophobicContact CB-CG1 3.99Å; M179-I181 PolarHBondContact O-N 3.46Å; M179-I181 VanDerWaalsContact O-N 3.16Å |
| 180 | N | 89.7 | Confident | 94.4 | Very high | 110 Ų | 110 | 73.6 Ų | 73.6 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 30.9 | -177.3 | -157.3 | 52.1 | 0 | 0 | 0 | 113.8 | L176 M177 A178 I192 | L176-N180 PolarHBondContact O-N 3.07Å; M177-N180 PolarHBondContact O-N 3.28Å; A178-N180 VanDerWaalsContact C-N 3.27Å; N180-I192 WeakPolarHBondContact O-CD1 3.46Å; N180-I192 WeakPolarHBondContact OD1-CD1 3.14Å |
| 181 | I | 92.1 | Very high | 94.3 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -84.8 | -29.4 | 175.9 | -63.4 | 170.7 | 0 | 0 | 0 | 110.7 | L176 M179 W191 I192 G193 L194 P195 | L176-I181 HydrophobicContact CB-CB 4.45Å; L176-I181 HydrophobicContact CD2-CB 4.2Å; L176-I181 HydrophobicContact CD2-CD1 3.81Å; L176-I181 HydrophobicContact CD2-CG2 4.06Å; L176-I181 WeakPolarHBondContact O-CB 3.38Å; L176-I181 PolarHBondContact O-N 2.79Å; M179-I181 HydrophobicContact CB-CD1 3.86Å; M179-I181 HydrophobicContact CB-CG1 3.99Å; M179-I181 PolarHBondContact O-N 3.46Å; M179-I181 VanDerWaalsContact O-N 3.16Å; I181-W191 HydrophobicContact CG2-CE3 4.34Å; I181-W191 HydrophobicContact CG2-CH2 3.8Å; I181-W191 HydrophobicContact CG2-CZ3 3.64Å; I181-I192 WeakPolarHBondContact O-CB 3.47Å; I181-I192 PolarHBondContact O-N 3.01Å; I181-G193 VanDerWaalsContact CA-O 3.29Å; I181-G193 WeakPolarHBondContact CA-O 3.4Å; I181-G193 PolarHBondContact O-N 3.13Å; I181-G193 VanDerWaalsContact O-N 3.16Å; I181-L194 HydrophobicContact CD1-CD2 4.09Å; I181-L194 HydrophobicContact CG2-CD2 4.22Å; I181-P195 HydrophobicContact CG1-CG 4.47Å |
| 182 | I | 94.1 | Very high | 94 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.2 | 176.1 | 67.6 | 177.4 | 0 | 0 | 0 | 109.6 | V127 L173 L176 M177 I189 K190 W191 I192 | V127-I182 HydrophobicContact CB-CG2 4.39Å; V127-I182 HydrophobicContact CG1-CG2 3.71Å; L173-I182 HydrophobicContact CB-CD1 4.29Å; L173-I182 HydrophobicContact CD2-CD1 3.46Å; L173-I182 VanDerWaalsContact CD2-CD1 3.46Å; L173-I182 HydrophobicContact CG-CD1 4.49Å; L176-I182 HydrophobicContact CB-CD1 3.7Å; L176-I182 HydrophobicContact CB-CG1 3.8Å; L176-I182 HydrophobicContact CB-CG2 4.35Å; L176-I182 HydrophobicContact CD1-CD1 4.46Å; L176-I182 PolarHBondContact O-N 3.27Å; M177-I182 HydrophobicContact CB-CG1 4.12Å; I182-I189 HydrophobicContact CB-CG2 4.25Å; I182-I189 HydrophobicContact CD1-CG2 3.95Å; I182-K190 CarbonylContact C-O 3.53Å; I182-K190 WeakPolarHBondContact CA-O 3.3Å; I182-K190 WeakPolarHBondContact CB-O 3.49Å; I182-W191 HydrophobicContact CG2-CE3 4.02Å; I182-W191 HydrophobicContact CG2-CZ3 4.4Å; I182-I192 VanDerWaalsContact C-CD1 3.42Å |
| 183 | S | 94.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 73 Ų | 73 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145.8 | 166.9 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | I189 K190 | S183-I189 CarbonylContact O-C 3.6Å; S183-I189 VanDerWaalsContact O-CA 3.28Å; S183-I189 WeakPolarHBondContact O-CA 3.46Å; S183-K190 PolarHBondContact N-O 3.1Å; S183-K190 PolarHBondContact O-N 3.16Å |
| 184 | K | 94.3 | Very high | 92.6 | Very high | 98 Ų | 98 | 76.7 Ų | 76.7 | 43% | 0.426 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 111.2 | 173.9 | -178.7 | 176.3 | 178.4 | -69.7 | 0 | 110.1 | M177 K186 E188 I189 | M177-K184 HydrophobicContact CE-CB 3.74Å; M177-K184 HydrophobicContact CE-CD 3.65Å; M177-K184 HydrophobicContact CE-CG 4.34Å; M177-K184 HydrophobicContact SD-CB 3.99Å; K184-K186 PolarHBondContact NZ-O 3.44Å; K184-E188 CarbonylContact C-O 3.57Å; K184-E188 VanDerWaalsContact CA-O 3.31Å; K184-E188 WeakPolarHBondContact CA-O 3.37Å; K184-I189 HydrophobicContact CB-CG1 4.46Å; K184-I189 HydrophobicContact CD-CG1 4.46Å; K184-I189 HydrophobicContact CG-CG1 4.14Å |
| 185 | E | 93.7 | Very high | 91.3 | Very high | 120 Ų | 120 | 75.3 Ų | 75.3 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 111.3 | 174.2 | -168.4 | 177.8 | 176.2 | 0 | 0 | 109.6 | K187 E188 | E185-K187 PolarHBondContact O-N 2.86Å; E185-E188 PolarHBondContact N-O 3.33Å; E185-E188 WeakPolarHBondContact O-CB 3.49Å; E185-E188 PolarHBondContact O-N 3.33Å |
| 186 | K | 92 | Very high | 89.8 | Confident | 184 Ų | 184 | 76.1 Ų | 76.1 | 80% | 0.8 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -103.5 | -172.2 | -61.7 | 172.7 | -179.9 | 168.2 | 0 | 111.7 | K184 | K184-K186 PolarHBondContact NZ-O 3.44Š|
| 187 | K | 93.8 | Very high | 88.2 | Confident | 177 Ų | 177 | 79 Ų | 79 | 77% | 0.77 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -13.3 | -179.7 | -65.2 | -175.3 | 179.8 | 179.3 | 0 | 113.1 | S134 E185 | S134-K187 WeakPolarHBondContact CA-O 3.22Å; S134-K187 WeakPolarHBondContact CB-O 3.22Å; E185-K187 PolarHBondContact O-N 2.86Å |
| 188 | E | 96.2 | Very high | 86.9 | Confident | 78 Ų | 78 | 78.9 Ų | 78.9 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 135.5 | -178.3 | -172.1 | 173.8 | 79.4 | 0 | 0 | 110.2 | T132 K184 E185 K190 | T132-E188 HydrophobicContact CG2-CG 3.52Å; K184-E188 CarbonylContact C-O 3.57Å; K184-E188 VanDerWaalsContact CA-O 3.31Å; K184-E188 WeakPolarHBondContact CA-O 3.37Å; E185-E188 PolarHBondContact N-O 3.33Å; E185-E188 WeakPolarHBondContact O-CB 3.49Å; E185-E188 PolarHBondContact O-N 3.33Å; E188-K190 HydrophobicContact CG-CG 4.35Å; E188-K190 WeakPolarHBondContact OE1-CE 3.34Å; E188-K190 IonicContact OE1-NZ 3.84Å; E188-K190 PolarHBondContact OE1-NZ 3.44Å |
| 189 | I | 96.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.6 | 177.6 | -58.8 | 173.4 | 0 | 0 | 0 | 107.2 | V127 T132 T133 L173 I182 S183 K184 | V127-I189 HydrophobicContact CG1-CG2 3.95Å; V127-I189 HydrophobicContact CG2-CG2 4.37Å; T132-I189 CarbonylContact C-O 3.58Å; T132-I189 WeakPolarHBondContact CA-O 3.39Å; T133-I189 HydrophobicContact CG2-CB 4.16Å; T133-I189 HydrophobicContact CG2-CG2 4.43Å; T133-I189 PolarHBondContact N-O 3.22Å; T133-I189 PolarHBondContact O-N 3.21Å; L173-I189 HydrophobicContact CD1-CD1 3.77Å; L173-I189 HydrophobicContact CD2-CD1 4.06Å; L173-I189 HydrophobicContact CD2-CG2 4.46Å; I182-I189 HydrophobicContact CB-CG2 4.25Å; I182-I189 HydrophobicContact CD1-CG2 3.95Å; S183-I189 CarbonylContact O-C 3.6Å; S183-I189 VanDerWaalsContact O-CA 3.28Å; S183-I189 WeakPolarHBondContact O-CA 3.46Å; K184-I189 HydrophobicContact CB-CG1 4.46Å; K184-I189 HydrophobicContact CD-CG1 4.46Å; K184-I189 HydrophobicContact CG-CG1 4.14Å |
| 190 | K | 95.2 | Very high | 85.2 | Confident | 83 Ų | 83 | 77 Ų | 77 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.3 | 179.4 | -69.6 | 178.3 | 173.1 | 141.7 | 0 | 110.6 | G131 T132 I182 S183 E188 | G131-K190 CarbonylContact O-C 3.53Å; G131-K190 WeakPolarHBondContact O-CA 3.47Å; T132-K190 HydrophobicContact CG2-CG 4.1Å; I182-K190 CarbonylContact C-O 3.53Å; I182-K190 WeakPolarHBondContact CA-O 3.3Å; I182-K190 WeakPolarHBondContact CB-O 3.49Å; S183-K190 PolarHBondContact N-O 3.1Å; S183-K190 PolarHBondContact O-N 3.16Å; E188-K190 HydrophobicContact CG-CG 4.35Å; E188-K190 WeakPolarHBondContact OE1-CE 3.34Å; E188-K190 IonicContact OE1-NZ 3.84Å; E188-K190 PolarHBondContact OE1-NZ 3.44Å |
| 191 | W | 94.3 | Very high | 84.4 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 21% | 0.212 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.9 | 169.2 | -178.9 | -105.2 | 0 | 0 | 0 | 110 | V127 Q128 G131 I181 I182 L194 | V127-W191 HydrophobicContact CB-CE3 4.29Å; V127-W191 HydrophobicContact CG1-CB 4.25Å; V127-W191 HydrophobicContact CG1-CE3 4.1Å; Q128-W191 VanDerWaalsContact CA-CD2 3.47Å; Q128-W191 HydrophobicContact CB-CD2 3.74Å; Q128-W191 HydrophobicContact CB-CE3 3.74Å; Q128-W191 HydrophobicContact CB-CG 4.46Å; Q128-W191 HydrophobicContact CB-CH2 3.77Å; Q128-W191 HydrophobicContact CB-CZ2 3.76Å; Q128-W191 HydrophobicContact CB-CZ3 3.75Å; Q128-W191 HydrophobicContact CG-CD2 4.05Å; Q128-W191 HydrophobicContact CG-CE3 4.49Å; Q128-W191 HydrophobicContact CG-CH2 4.09Å; Q128-W191 HydrophobicContact CG-CZ2 3.59Å; G131-W191 WeakPolarHBondContact O-CB 3.34Å; G131-W191 PolarHBondContact O-N 2.77Å; I181-W191 HydrophobicContact CG2-CE3 4.34Å; I181-W191 HydrophobicContact CG2-CH2 3.8Å; I181-W191 HydrophobicContact CG2-CZ3 3.64Å; I182-W191 HydrophobicContact CG2-CE3 4.02Å; I182-W191 HydrophobicContact CG2-CZ3 4.4Å; W191-L194 HydrophobicContact CH2-CD2 4.39Å; W191-L194 HydrophobicContact CH2-CG 4.33Å; W191-L194 HydrophobicContact CZ2-CG 4.44Å |
| 192 | I | 90.1 | Very high | 83.9 | Confident | 63 Ų | 63 | 80.1 Ų | 80.1 | 32% | 0.323 | 42% | 0.418 | S | S | . | . | trans | -97.4 | -48.3 | 172.9 | -57.7 | 173 | 0 | 0 | 0 | 109.2 | N180 I181 I182 | N180-I192 WeakPolarHBondContact O-CD1 3.46Å; N180-I192 WeakPolarHBondContact OD1-CD1 3.14Å; I181-I192 WeakPolarHBondContact O-CB 3.47Å; I181-I192 PolarHBondContact O-N 3.01Å; I182-I192 VanDerWaalsContact C-CD1 3.42Å | ||
| 193 | G | 83.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 85.5 Ų | 85.5 | 12% | 0.124 | 44% | 0.444 | C | S | . | . | trans | 136.7 | 158.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I181 | I181-G193 VanDerWaalsContact CA-O 3.29Å; I181-G193 WeakPolarHBondContact CA-O 3.4Å; I181-G193 PolarHBondContact O-N 3.13Å; I181-G193 VanDerWaalsContact O-N 3.16Å | ||
| 194 | L | 81.7 | Confident | 83.2 | Confident | 82 Ų | 82 | 87.2 Ų | 87.2 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | trans | -64.4 | 157.5 | 168.1 | -67.6 | 175.3 | 0 | 0 | 0 | 109.4 | I181 W191 T196 N197 | I181-L194 HydrophobicContact CD1-CD2 4.09Å; I181-L194 HydrophobicContact CG2-CD2 4.22Å; W191-L194 HydrophobicContact CH2-CD2 4.39Å; W191-L194 HydrophobicContact CH2-CG 4.33Å; W191-L194 HydrophobicContact CZ2-CG 4.44Å; L194-T196 PolarHBondContact O-N 3.01Å; L194-N197 PolarHBondContact O-N 3.33Å | ||
| 195 | P | 69 | Low | 83 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -10.4 | 176.6 | -27.2 | 36.4 | 0 | 0 | 0 | 114.3 | I181 N197 S198 | I181-P195 HydrophobicContact CG1-CG 4.47Å; P195-N197 PolarHBondContact O-N 2.96Å; P195-S198 WeakPolarHBondContact O-CA 3.34Å; P195-S198 WeakPolarHBondContact O-CB 3.34Å; P195-S198 PolarHBondContact O-N 3.44Å; P195-S198 PolarHBondContact O-OG 3.02Å |
| 196 | T | 62.7 | Low | 82.9 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 67% | 0.669 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -27.6 | 165.9 | -42.2 | 0 | 0 | 0 | 0 | 114.1 | L194 S198 A199 | L194-T196 PolarHBondContact O-N 3.01Å; T196-S198 PolarHBondContact O-N 3.46Å; T196-A199 WeakPolarHBondContact O-CB 3.47Å; T196-A199 PolarHBondContact O-N 3.47Å; T196-A199 VanDerWaalsContact O-N 3.07Å |
| 197 | N | 61.8 | Low | 83 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 43% | 0.433 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -28.7 | 171.3 | -162.9 | -3.2 | 0 | 0 | 0 | 111.8 | L194 P195 A199 Q200 E201 | L194-N197 PolarHBondContact O-N 3.33Å; P195-N197 PolarHBondContact O-N 2.96Å; N197-A199 PolarHBondContact O-N 3.35Å; N197-Q200 PolarHBondContact O-N 3.04Å; N197-E201 PolarHBondContact O-N 3.34Å |
| 198 | S | 65.3 | Low | 83 | Confident | 64 Ų | 64 | 77 Ų | 77 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64 | -20 | 174.1 | 75.7 | 0 | 0 | 0 | 0 | 113.8 | P195 T196 E201 C202 | P195-S198 WeakPolarHBondContact O-CA 3.34Å; P195-S198 WeakPolarHBondContact O-CB 3.34Å; P195-S198 PolarHBondContact O-N 3.44Å; P195-S198 PolarHBondContact O-OG 3.02Å; T196-S198 PolarHBondContact O-N 3.46Å; S198-E201 PolarHBondContact O-N 2.96Å; S198-C202 WeakPolarHBondContact O-CB 3.38Å; S198-C202 PolarHBondContact O-N 3.37Å |
| 199 | A | 72.6 | Confident | 83 | Confident | 63 Ų | 63 | 79 Ų | 79 | 52% | 0.521 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T196 N197 C202 Q203 | T196-A199 WeakPolarHBondContact O-CB 3.47Å; T196-A199 PolarHBondContact O-N 3.47Å; T196-A199 VanDerWaalsContact O-N 3.07Å; N197-A199 PolarHBondContact O-N 3.35Å; A199-C202 PolarHBondContact O-N 3.43Å; A199-Q203 WeakPolarHBondContact O-CB 3.41Å; A199-Q203 PolarHBondContact O-N 3.34Å |
| 200 | Q | 75.6 | Confident | 83 | Confident | 97 Ų | 97 | 84.3 Ų | 84.3 | 45% | 0.453 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | 174.1 | -172.5 | 62.5 | 52.9 | 0 | 0 | 111.1 | N197 C202 Q203 N204 | N197-Q200 PolarHBondContact O-N 3.04Å; Q200-C202 VanDerWaalsContact C-N 3.35Å; Q200-Q203 PolarHBondContact O-N 3.24Å; Q200-N204 PolarHBondContact NE2-OD1 3.04Å; Q200-N204 VanDerWaalsContact NE2-OD1 3.08Å; Q200-N204 WeakPolarHBondContact O-CB 3.41Å; Q200-N204 PolarHBondContact O-N 3.12Å; Q200-N204 PolarHBondContact O-OD1 3.41Å |
| 201 | E | 73 | Confident | 83.1 | Confident | 111 Ų | 111 | 88.1 Ų | 88.1 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 173.1 | -67.1 | -179.6 | -178.9 | 0 | 0 | 111.6 | N197 S198 Q203 N204 L205 | N197-E201 PolarHBondContact O-N 3.34Å; S198-E201 PolarHBondContact O-N 2.96Å; E201-Q203 PolarHBondContact O-N 2.93Å; E201-N204 PolarHBondContact O-N 2.97Å; E201-L205 VanDerWaalsContact O-CB 3.31Å; E201-L205 WeakPolarHBondContact O-CB 3.3Å; E201-L205 WeakPolarHBondContact O-CG 3.32Å; E201-L205 PolarHBondContact O-N 2.98Å |
| 202 | C | 81.9 | Confident | 83.2 | Confident | 78 Ų | 78 | 92.3 Ų | 92.3 | 53% | 0.527 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175 | -174.5 | 0 | 0 | 0 | 0 | 111 | S198 A199 Q200 L205 E206 | S198-C202 WeakPolarHBondContact O-CB 3.38Å; S198-C202 PolarHBondContact O-N 3.37Å; A199-C202 PolarHBondContact O-N 3.43Å; Q200-C202 VanDerWaalsContact C-N 3.35Å; C202-L205 PolarHBondContact O-N 3.16Å; C202-E206 WeakPolarHBondContact O-CB 3.32Å; C202-E206 PolarHBondContact O-N 3.23Å |
| 203 | Q | 85.7 | Confident | 83.5 | Confident | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 174.9 | -172.2 | 178.8 | 11.5 | 0 | 0 | 111.9 | A199 Q200 E201 L205 E206 V207 | A199-Q203 WeakPolarHBondContact O-CB 3.41Å; A199-Q203 PolarHBondContact O-N 3.34Å; Q200-Q203 PolarHBondContact O-N 3.24Å; E201-Q203 PolarHBondContact O-N 2.93Å; Q203-L205 VanDerWaalsContact C-N 3.32Å; Q203-L205 PolarHBondContact O-N 3.26Å; Q203-E206 PolarHBondContact O-N 2.87Å; Q203-V207 WeakPolarHBondContact O-CG2 3.19Å; Q203-V207 PolarHBondContact O-N 3.43Å |
| 204 | N | 88.3 | Confident | 84 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 177.3 | -68.7 | -7.8 | 0 | 0 | 0 | 111.6 | Q200 E201 V207 E208 | Q200-N204 PolarHBondContact NE2-OD1 3.04Å; Q200-N204 VanDerWaalsContact NE2-OD1 3.08Å; Q200-N204 WeakPolarHBondContact O-CB 3.41Å; Q200-N204 PolarHBondContact O-N 3.12Å; Q200-N204 PolarHBondContact O-OD1 3.41Å; E201-N204 PolarHBondContact O-N 2.97Å; N204-V207 PolarHBondContact O-N 3.45Å; N204-E208 WeakPolarHBondContact O-CB 3.42Å; N204-E208 PolarHBondContact O-N 3.36Å |
| 205 | L | 89.8 | Confident | 84.8 | Confident | 120 Ų | 120 | 95.4 Ų | 95.4 | 63% | 0.628 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.9 | -36.4 | 175.3 | -73.5 | 172.1 | 0 | 0 | 0 | 111.9 | E201 C202 Q203 E208 R209 | E201-L205 VanDerWaalsContact O-CB 3.31Å; E201-L205 WeakPolarHBondContact O-CB 3.3Å; E201-L205 WeakPolarHBondContact O-CG 3.32Å; E201-L205 PolarHBondContact O-N 2.98Å; C202-L205 PolarHBondContact O-N 3.16Å; Q203-L205 VanDerWaalsContact C-N 3.32Å; Q203-L205 PolarHBondContact O-N 3.26Å; L205-E208 PolarHBondContact O-N 3.14Å; L205-R209 WeakPolarHBondContact O-CB 3.3Å; L205-R209 PolarHBondContact O-N 2.92Å |
| 206 | E | 91.8 | Very high | 86.1 | Confident | 88 Ų | 88 | 96 Ų | 96 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 175.7 | -165.5 | 59.4 | -143.1 | 0 | 0 | 111.4 | C202 Q203 R209 Q210 | C202-E206 WeakPolarHBondContact O-CB 3.32Å; C202-E206 PolarHBondContact O-N 3.23Å; Q203-E206 PolarHBondContact O-N 2.87Å; E206-R209 WeakPolarHBondContact O-CB 3.36Å; E206-R209 PolarHBondContact O-N 3.23Å; E206-R209 IonicContact OE1-CZ 2.64Å; E206-R209 IonicContact OE1-NH1 2.62Å; E206-R209 PolarHBondContact OE1-NH1 3.32Å; E206-R209 IonicContact OE2-NH1 2.66Å; E206-Q210 WeakPolarHBondContact O-CB 3.34Å; E206-Q210 PolarHBondContact O-N 2.99Å |
| 207 | V | 94.1 | Very high | 87.6 | Confident | 96 Ų | 96 | 96.7 Ų | 96.7 | 58% | 0.582 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.7 | -45.8 | 173 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | Q203 N204 R209 Q210 R211 | Q203-V207 WeakPolarHBondContact O-CG2 3.19Å; Q203-V207 PolarHBondContact O-N 3.43Å; N204-V207 PolarHBondContact O-N 3.45Å; V207-R209 VanDerWaalsContact C-N 3.35Å; V207-Q210 PolarHBondContact O-N 3.16Å; V207-R211 WeakPolarHBondContact O-CB 3.21Å; V207-R211 PolarHBondContact O-N 3.25Å |
| 208 | E | 94 | Very high | 89.2 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 28% | 0.28 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 176.6 | 177.3 | 59.6 | -165.9 | 0 | 0 | 111.8 | N204 L205 R211 R212 | N204-E208 WeakPolarHBondContact O-CB 3.42Å; N204-E208 PolarHBondContact O-N 3.36Å; L205-E208 PolarHBondContact O-N 3.14Å; E208-R211 PolarHBondContact O-N 3.38Å; E208-R212 WeakPolarHBondContact O-CB 3.48Å; E208-R212 VanDerWaalsContact O-CG 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3.37Å; E208-R212 IonicContact OE1-CZ 2.75Å; E208-R212 IonicContact OE1-NE 3.93Å; E208-R212 PolarHBondContact OE1-NE 2.96Å; E208-R212 IonicContact OE1-NH2 2.77Å; E208-R212 PolarHBondContact OE1-NH2 3.23Å |
| 209 | R | 95.5 | Very high | 90.8 | Very high | 121 Ų | 121 | 100.8 Ų | 100.8 | 46% | 0.457 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 172 | 178.1 | 179.7 | 178.7 | -105.4 | -3 | 110.2 | L205 E206 V207 R211 R212 L213 | L205-R209 WeakPolarHBondContact O-CB 3.3Å; L205-R209 PolarHBondContact O-N 2.92Å; E206-R209 WeakPolarHBondContact O-CB 3.36Å; E206-R209 PolarHBondContact O-N 3.23Å; E206-R209 IonicContact OE1-CZ 2.64Å; E206-R209 IonicContact OE1-NH1 2.62Å; E206-R209 PolarHBondContact OE1-NH1 3.32Å; E206-R209 IonicContact OE2-NH1 2.66Å; V207-R209 VanDerWaalsContact C-N 3.35Å; R209-R211 VanDerWaalsContact C-N 3.34Å; R209-R211 PolarHBondContact O-N 3.03Å; R209-R212 PolarHBondContact O-N 2.67Å; R209-L213 HydrophobicContact CG-CD1 4.16Å; R209-L213 HydrophobicContact CG-CG 4.46Å; R209-L213 WeakPolarHBondContact O-CG 3.48Å; R209-L213 PolarHBondContact O-N 2.91Å |
| 210 | Q | 96.5 | Very high | 91.8 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 178.4 | -170.8 | 59.4 | 26.7 | 0 | 0 | 111.8 | E206 V207 R212 L213 E214 | E206-Q210 WeakPolarHBondContact O-CB 3.34Å; E206-Q210 PolarHBondContact O-N 2.99Å; V207-Q210 PolarHBondContact O-N 3.16Å; Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.33Å; Q210-L213 PolarHBondContact O-N 3.1Å; Q210-E214 PolarHBondContact O-N 3.2Å |
| 211 | R | 97.3 | Very high | 92.7 | Very high | 164 Ų | 164 | 98.1 Ų | 98.1 | 62% | 0.619 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 175.4 | -170 | -178 | -166.9 | -177.4 | 7.2 | 112.4 | V207 E208 R209 R215 | V207-R211 WeakPolarHBondContact O-CB 3.21Å; V207-R211 PolarHBondContact O-N 3.25Å; E208-R211 PolarHBondContact O-N 3.38Å; R209-R211 VanDerWaalsContact C-N 3.34Å; R209-R211 PolarHBondContact O-N 3.03Å; R211-R215 PolarHBondContact O-N 3.3Å |
| 212 | R | 96.5 | Very high | 93.8 | Very high | 143 Ų | 143 | 98.6 Ų | 98.6 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 176.7 | -73.8 | -179.8 | -174.9 | -156.2 | 3.9 | 112 | E208 R209 Q210 R215 I216 | E208-R212 WeakPolarHBondContact O-CB 3.48Å; E208-R212 VanDerWaalsContact O-CG 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3.37Å; E208-R212 IonicContact OE1-CZ 2.75Å; E208-R212 IonicContact OE1-NE 3.93Å; E208-R212 PolarHBondContact OE1-NE 2.96Å; E208-R212 IonicContact OE1-NH2 2.77Å; E208-R212 PolarHBondContact OE1-NH2 3.23Å; R209-R212 PolarHBondContact O-N 2.67Å; Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.33Å; R212-R215 PolarHBondContact O-N 2.87Å; R212-I216 WeakPolarHBondContact O-CB 3.45Å; R212-I216 VanDerWaalsContact O-CG1 3.26Å; R212-I216 WeakPolarHBondContact O-CG1 3.32Å; R212-I216 PolarHBondContact O-N 3.38Å |
| 213 | L | 96.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 97.4 Ų | 97.4 | 19% | 0.194 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.2 | -73.6 | 176.7 | 0 | 0 | 0 | 111.6 | R209 Q210 R215 I216 K217 I347 | R209-L213 HydrophobicContact CG-CD1 4.16Å; R209-L213 HydrophobicContact CG-CG 4.46Å; R209-L213 WeakPolarHBondContact O-CG 3.48Å; R209-L213 PolarHBondContact O-N 2.91Å; Q210-L213 PolarHBondContact O-N 3.1Å; L213-R215 PolarHBondContact O-N 3.37Å; L213-I216 PolarHBondContact O-N 3.21Å; L213-K217 PolarHBondContact O-N 3.42Å; L213-I347 HydrophobicContact CD2-CD1 3.65Å; L213-I347 HydrophobicContact CD2-CG1 3.81Å; L213-I347 HydrophobicContact CD2-CG2 4.31Å |
| 214 | E | 95.7 | Very high | 94.9 | Very high | 81 Ų | 81 | 93.6 Ų | 93.6 | 38% | 0.379 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176 | -176.3 | 53.6 | -145.9 | 0 | 0 | 111.7 | Q210 I216 K217 Q218 | Q210-E214 PolarHBondContact O-N 3.2Å; E214-I216 VanDerWaalsContact C-N 3.33Å; E214-I216 PolarHBondContact O-N 2.77Å; E214-K217 WeakPolarHBondContact O-CB 3.35Å; E214-K217 PolarHBondContact O-N 3.24Å; E214-Q218 WeakPolarHBondContact O-CG 3.46Å; E214-Q218 PolarHBondContact O-N 3.05Å; E214-Q218 PolarHBondContact OE1-NE2 3.42Å; E214-Q218 VanDerWaalsContact OE1-NE2 3.13Å |
| 215 | R | 97 | Very high | 95.2 | Very high | 105 Ų | 105 | 92.1 Ų | 92.1 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 175.8 | -163.2 | -170.8 | -57.1 | 144.1 | 4.4 | 112.5 | R211 R212 L213 K219 | R211-R215 PolarHBondContact O-N 3.3Å; R212-R215 PolarHBondContact O-N 2.87Å; L213-R215 PolarHBondContact O-N 3.37Å; R215-K219 WeakPolarHBondContact O-CB 3.44Å; R215-K219 WeakPolarHBondContact O-CG 3.47Å; R215-K219 PolarHBondContact O-N 2.96Å |
| 216 | I | 96.8 | Very high | 95.6 | Very high | 79 Ų | 79 | 91.3 Ų | 91.3 | 41% | 0.405 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 175.6 | -73.6 | 165.3 | 0 | 0 | 0 | 109.7 | R212 L213 E214 Q218 K219 Q220 | R212-I216 WeakPolarHBondContact O-CB 3.45Å; R212-I216 VanDerWaalsContact O-CG1 3.26Å; R212-I216 WeakPolarHBondContact O-CG1 3.32Å; R212-I216 PolarHBondContact O-N 3.38Å; L213-I216 PolarHBondContact O-N 3.21Å; E214-I216 VanDerWaalsContact C-N 3.33Å; E214-I216 PolarHBondContact O-N 2.77Å; I216-Q218 PolarHBondContact O-N 3.04Å; I216-K219 PolarHBondContact O-N 3.25Å; I216-Q220 HydrophobicContact CG2-CG 4.29Å; I216-Q220 WeakPolarHBondContact O-CB 3.36Å; I216-Q220 VanDerWaalsContact O-CG 3.31Å; I216-Q220 WeakPolarHBondContact O-CG 3.35Å; I216-Q220 PolarHBondContact O-N 3.25Å |
| 217 | K | 94.9 | Very high | 95.8 | Very high | 124 Ų | 124 | 87.3 Ų | 87.3 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.1 | -48.6 | 177 | -177 | -175.2 | 176.3 | -171.6 | 0 | 111.9 | L213 E214 K219 Q220 S221 | L213-K217 PolarHBondContact O-N 3.42Å; E214-K217 WeakPolarHBondContact O-CB 3.35Å; E214-K217 PolarHBondContact O-N 3.24Å; K217-K219 PolarHBondContact O-N 3.45Å; K217-Q220 WeakPolarHBondContact O-CB 3.49Å; K217-Q220 PolarHBondContact O-N 3.29Å; K217-S221 PolarHBondContact O-N 2.83Å; K217-S221 PolarHBondContact O-OG 2.89Å |
| 218 | Q | 95.7 | Very high | 95.9 | Very high | 102 Ų | 102 | 83.2 Ų | 83.2 | 48% | 0.477 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 177.2 | -69.2 | 174.3 | 7.4 | 0 | 0 | 112.2 | E214 I216 Q220 S221 Q222 | E214-Q218 WeakPolarHBondContact O-CG 3.46Å; E214-Q218 PolarHBondContact O-N 3.05Å; E214-Q218 PolarHBondContact OE1-NE2 3.42Å; E214-Q218 VanDerWaalsContact OE1-NE2 3.13Å; I216-Q218 PolarHBondContact O-N 3.04Å; Q218-Q220 VanDerWaalsContact C-N 3.33Å; Q218-Q220 PolarHBondContact O-N 3.28Å; Q218-S221 PolarHBondContact O-N 3.48Å; Q218-Q222 WeakPolarHBondContact O-CG 3.31Å; Q218-Q222 PolarHBondContact O-N 3.27Å |
| 219 | K | 97.2 | Very high | 96.1 | Very high | 129 Ų | 129 | 84 Ų | 84 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.9 | -32.6 | 177.7 | -75.4 | -176.6 | 175.7 | -168 | 0 | 113 | R215 I216 K217 L223 | R215-K219 WeakPolarHBondContact O-CB 3.44Å; R215-K219 WeakPolarHBondContact O-CG 3.47Å; R215-K219 PolarHBondContact O-N 2.96Å; I216-K219 PolarHBondContact O-N 3.25Å; K217-K219 PolarHBondContact O-N 3.45Å; K219-L223 VanDerWaalsContact O-CB 3.29Å; K219-L223 WeakPolarHBondContact O-CB 3.29Å; K219-L223 PolarHBondContact O-N 2.96Å |
| 220 | Q | 94.4 | Very high | 96.1 | Very high | 36 Ų | 36 | 81.7 Ų | 81.7 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.1 | -48.5 | 173 | -77.7 | 172.7 | -29.8 | 0 | 0 | 110.6 | I216 K217 Q218 Q222 L223 Q224 F346 | I216-Q220 HydrophobicContact CG2-CG 4.29Å; I216-Q220 WeakPolarHBondContact O-CB 3.36Å; I216-Q220 VanDerWaalsContact O-CG 3.31Å; I216-Q220 WeakPolarHBondContact O-CG 3.35Å; I216-Q220 PolarHBondContact O-N 3.25Å; K217-Q220 WeakPolarHBondContact O-CB 3.49Å; K217-Q220 PolarHBondContact O-N 3.29Å; Q218-Q220 VanDerWaalsContact C-N 3.33Å; Q218-Q220 PolarHBondContact O-N 3.28Å; Q220-Q222 VanDerWaalsContact C-N 3.34Å; Q220-Q222 PolarHBondContact O-N 2.85Å; Q220-L223 PolarHBondContact O-N 2.85Å; Q220-Q224 VanDerWaalsContact O-CG 3.32Å; Q220-Q224 WeakPolarHBondContact O-CG 3.49Å; Q220-Q224 PolarHBondContact O-N 3.34Å; Q220-F346 VanDerWaalsContact NE2-CD2 3.27Å |
| 221 | S | 94 | Very high | 96.2 | Very high | 69 Ų | 69 | 76.4 Ų | 76.4 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | K217 Q218 Q224 E225 | K217-S221 PolarHBondContact O-N 2.83Å; K217-S221 PolarHBondContact O-OG 2.89Å; Q218-S221 PolarHBondContact O-N 3.48Å; S221-Q224 PolarHBondContact O-N 3.14Å; S221-E225 PolarHBondContact O-N 2.97Å |
| 222 | Q | 96.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 68.6 Ų | 68.6 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 174.8 | -72.7 | 173.8 | -3.5 | 0 | 0 | 112.3 | Q218 Q220 Q224 E225 L226 | Q218-Q222 WeakPolarHBondContact O-CG 3.31Å; Q218-Q222 PolarHBondContact O-N 3.27Å; Q220-Q222 VanDerWaalsContact C-N 3.34Å; Q220-Q222 PolarHBondContact O-N 2.85Å; Q222-Q224 VanDerWaalsContact C-N 3.31Å; Q222-Q224 PolarHBondContact O-N 3.23Å; Q222-E225 PolarHBondContact O-N 3.09Å; Q222-L226 WeakPolarHBondContact O-CG 3.38Å; Q222-L226 PolarHBondContact O-N 3.47Å |
| 223 | L | 96.6 | Very high | 96.2 | Very high | 54 Ų | 54 | 67 Ų | 67 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 177.9 | 177.1 | 62.3 | 0 | 0 | 0 | 111.4 | K219 Q220 L226 I227 Y333 | K219-L223 VanDerWaalsContact O-CB 3.29Å; K219-L223 WeakPolarHBondContact O-CB 3.29Å; K219-L223 PolarHBondContact O-N 2.96Å; Q220-L223 PolarHBondContact O-N 2.85Å; L223-L226 PolarHBondContact O-N 3.45Å; L223-I227 HydrophobicContact CD1-CD1 4.18Å; L223-I227 HydrophobicContact CD1-CG1 4.39Å; L223-I227 HydrophobicContact CG-CD1 3.99Å; L223-I227 VanDerWaalsContact O-CG1 3.3Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 2.88Å; L223-Y333 HydrophobicContact CD2-CD1 3.99Å; L223-Y333 HydrophobicContact CD2-CD2 4.4Å; L223-Y333 HydrophobicContact CD2-CE1 3.81Å; L223-Y333 HydrophobicContact CD2-CE2 4.25Å; L223-Y333 HydrophobicContact CD2-CG 4.27Å |
| 224 | Q | 94.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 68.8 Ų | 68.8 | 16% | 0.164 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 177.4 | -72.8 | -177.2 | -27.3 | 0 | 0 | 112.1 | Q220 S221 Q222 L226 I227 L228 M337 | Q220-Q224 VanDerWaalsContact O-CG 3.32Å; Q220-Q224 WeakPolarHBondContact O-CG 3.49Å; Q220-Q224 PolarHBondContact O-N 3.34Å; S221-Q224 PolarHBondContact O-N 3.14Å; Q222-Q224 VanDerWaalsContact C-N 3.31Å; Q222-Q224 PolarHBondContact O-N 3.23Å; Q224-L226 VanDerWaalsContact C-N 3.31Å; Q224-L226 PolarHBondContact O-N 2.96Å; Q224-I227 PolarHBondContact O-N 3.47Å; Q224-I227 VanDerWaalsContact O-N 3.12Å; Q224-L228 WeakPolarHBondContact O-CG 3.47Å; Q224-L228 PolarHBondContact O-N 2.94Å; Q224-M337 HydrophobicContact CB-CE 4.06Å; Q224-M337 HydrophobicContact CB-SD 4.2Å; Q224-M337 HydrophobicContact CG-CE 4.34Å; Q224-M337 HydrophobicContact CG-CG 3.99Å; Q224-M337 HydrophobicContact CG-SD 3.88Å |
| 225 | E | 95.2 | Very high | 96.4 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 176.4 | -174.1 | 55 | -144 | 0 | 0 | 111.4 | S221 Q222 I227 L228 Q229 K301 | S221-E225 PolarHBondContact O-N 2.97Å; Q222-E225 PolarHBondContact O-N 3.09Å; E225-I227 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.31Å; E225-L228 PolarHBondContact O-N 3.44Å; E225-Q229 WeakPolarHBondContact O-CG 3.46Å; E225-Q229 PolarHBondContact O-N 3.37Å; E225-K301 WeakPolarHBondContact OE1-CE 3.38Å; E225-K301 IonicContact OE1-NZ 3.75Å; E225-K301 PolarHBondContact OE1-NZ 3.45Å; E225-K301 IonicContact OE2-NZ 2.66Å; E225-K301 PolarHBondContact OE2-NZ 3.22Å |
| 226 | L | 97.5 | Very high | 96.5 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 53% | 0.534 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 174.9 | -70.1 | 172.4 | 0 | 0 | 0 | 112.9 | Q222 L223 Q224 Q230 | Q222-L226 WeakPolarHBondContact O-CG 3.38Å; Q222-L226 PolarHBondContact O-N 3.47Å; L223-L226 PolarHBondContact O-N 3.45Å; Q224-L226 VanDerWaalsContact C-N 3.31Å; Q224-L226 PolarHBondContact O-N 2.96Å; L226-Q230 WeakPolarHBondContact O-CB 3.49Å; L226-Q230 PolarHBondContact O-N 2.95Å |
| 227 | I | 96.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 174.8 | -73.2 | 169.7 | 0 | 0 | 0 | 110.5 | L223 Q224 E225 Q229 Q230 I231 V326 L330 Y333 V334 M337 | L223-I227 HydrophobicContact CD1-CD1 4.18Å; L223-I227 HydrophobicContact CD1-CG1 4.39Å; L223-I227 HydrophobicContact CG-CD1 3.99Å; L223-I227 VanDerWaalsContact O-CG1 3.3Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 2.88Å; Q224-I227 PolarHBondContact O-N 3.47Å; Q224-I227 VanDerWaalsContact O-N 3.12Å; E225-I227 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.31Å; I227-Q229 VanDerWaalsContact C-N 3.34Å; I227-Q229 PolarHBondContact O-N 3.43Å; I227-Q230 PolarHBondContact O-N 2.78Å; I227-I231 HydrophobicContact CG2-CD1 3.75Å; I227-I231 HydrophobicContact CG2-CG1 4.49Å; I227-I231 VanDerWaalsContact O-CG1 3.32Å; I227-I231 WeakPolarHBondContact O-CG1 3.31Å; I227-I231 PolarHBondContact O-N 2.88Å; I227-V326 HydrophobicContact CG2-CG1 4.33Å; I227-L330 HydrophobicContact CD1-CB 4.47Å; I227-L330 HydrophobicContact CG1-CD1 4.28Å; I227-Y333 HydrophobicContact CD1-CG 4.34Å; I227-V334 HydrophobicContact CG2-CG2 3.81Å; I227-M337 HydrophobicContact CB-SD 4.34Å; I227-M337 HydrophobicContact CD1-SD 4.49Å; I227-M337 HydrophobicContact CG2-CE 4.26Å; I227-M337 HydrophobicContact CG2-SD 3.95Å |
| 228 | L | 96.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 175.5 | -67.1 | 175.4 | 0 | 0 | 0 | 110.8 | Q224 E225 Q230 I231 A232 A306 L309 E310 M337 | Q224-L228 WeakPolarHBondContact O-CG 3.47Å; Q224-L228 PolarHBondContact O-N 2.94Å; E225-L228 PolarHBondContact O-N 3.44Å; L228-Q230 PolarHBondContact O-N 2.91Å; L228-I231 PolarHBondContact O-N 3.18Å; L228-A232 WeakPolarHBondContact O-CB 3.45Å; L228-A232 PolarHBondContact O-N 2.85Å; L228-A306 HydrophobicContact CD2-CB 4.21Å; L228-L309 HydrophobicContact CD2-CB 3.54Å; L228-E310 HydrophobicContact CD1-CB 3.98Å; L228-E310 HydrophobicContact CD2-CB 4.44Å; L228-M337 HydrophobicContact CD1-CE 4.24Å; L228-M337 HydrophobicContact CD2-CE 3.42Å; L228-M337 VanDerWaalsContact CD2-CE 3.42Å; L228-M337 HydrophobicContact CG-CE 3.54Å |
| 229 | Q | 96.6 | Very high | 96.6 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 175.3 | -74.9 | 174.3 | 16.2 | 0 | 0 | 112.4 | E225 I227 I231 A232 F233 I297 | E225-Q229 WeakPolarHBondContact O-CG 3.46Å; E225-Q229 PolarHBondContact O-N 3.37Å; I227-Q229 VanDerWaalsContact C-N 3.34Å; I227-Q229 PolarHBondContact O-N 3.43Å; Q229-I231 PolarHBondContact O-N 2.86Å; Q229-A232 PolarHBondContact O-N 3.02Å; Q229-F233 VanDerWaalsContact O-CB 3.26Å; Q229-F233 WeakPolarHBondContact O-CB 3.2Å; Q229-F233 PolarHBondContact O-N 3.35Å; Q229-I297 HydrophobicContact CB-CD1 4.12Å; Q229-I297 HydrophobicContact CG-CB 4.47Å; Q229-I297 HydrophobicContact CG-CD1 3.55Å; Q229-I297 HydrophobicContact CG-CG1 3.6Å |
| 230 | Q | 97 | Very high | 96.6 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 178.9 | 177.8 | 71.9 | -11.6 | 0 | 0 | 112.1 | L226 I227 L228 K234 | L226-Q230 WeakPolarHBondContact O-CB 3.49Å; L226-Q230 PolarHBondContact O-N 2.95Å; I227-Q230 PolarHBondContact O-N 2.78Å; L228-Q230 PolarHBondContact O-N 2.91Å; Q230-K234 WeakPolarHBondContact O-CB 3.46Å; Q230-K234 WeakPolarHBondContact O-CG 3.17Å; Q230-K234 PolarHBondContact O-N 2.77Å; Q230-K234 VanDerWaalsContact O-N 3.16Å |
| 231 | I | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.3 | -52.6 | 178.9 | -69.9 | 169.5 | 0 | 0 | 0 | 109.4 | I227 L228 Q229 F233 K234 N235 L309 A322 L325 V326 V334 | I227-I231 HydrophobicContact CG2-CD1 3.75Å; I227-I231 HydrophobicContact CG2-CG1 4.49Å; I227-I231 VanDerWaalsContact O-CG1 3.32Å; I227-I231 WeakPolarHBondContact O-CG1 3.31Å; I227-I231 PolarHBondContact O-N 2.88Å; L228-I231 PolarHBondContact O-N 3.18Å; Q229-I231 PolarHBondContact O-N 2.86Å; I231-F233 PolarHBondContact O-N 3.08Å; I231-K234 PolarHBondContact O-N 3.24Å; I231-N235 WeakPolarHBondContact O-CB 3.26Å; I231-N235 PolarHBondContact O-N 3.33Å; I231-L309 HydrophobicContact CD1-CD1 3.46Å; I231-L309 VanDerWaalsContact CD1-CD1 3.46Å; I231-A322 HydrophobicContact CD1-CB 4.06Å; I231-A322 HydrophobicContact CG2-CB 4.41Å; I231-L325 HydrophobicContact CG1-CB 4.4Å; I231-L325 HydrophobicContact CG2-CD1 4.03Å; I231-V326 HydrophobicContact CD1-CG1 3.88Å; I231-V326 HydrophobicContact CG1-CG1 3.63Å; I231-V334 HydrophobicContact CD1-CG2 4.09Å |
| 232 | A | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L228 Q229 N235 L236 I297 L300 M305 A306 | L228-A232 WeakPolarHBondContact O-CB 3.45Å; L228-A232 PolarHBondContact O-N 2.85Å; Q229-A232 PolarHBondContact O-N 3.02Å; A232-N235 PolarHBondContact O-N 3.38Å; A232-L236 WeakPolarHBondContact O-CB 3.17Å; A232-L236 PolarHBondContact O-N 2.88Å; A232-I297 HydrophobicContact CB-CD1 3.98Å; A232-L300 HydrophobicContact CB-CB 4.16Å; A232-L300 HydrophobicContact CB-CD2 4.15Å; A232-M305 WeakPolarHBondContact CA-O 3.49Å; A232-M305 HydrophobicContact CB-CB 3.99Å; A232-A306 HydrophobicContact CB-CB 4.34Å |
| 233 | F | 97.8 | Very high | 96.8 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -50.2 | 178.5 | -179.1 | -99.3 | 0 | 0 | 0 | 111.8 | Q229 I231 N235 L236 V237 L259 | Q229-F233 VanDerWaalsContact O-CB 3.26Å; Q229-F233 WeakPolarHBondContact O-CB 3.2Å; Q229-F233 PolarHBondContact O-N 3.35Å; I231-F233 PolarHBondContact O-N 3.08Å; F233-N235 VanDerWaalsContact C-N 3.33Å; F233-N235 PolarHBondContact O-N 3.28Å; F233-L236 PolarHBondContact O-N 3.49Å; F233-V237 HydrophobicContact CD1-CG2 4.35Å; F233-V237 HydrophobicContact CE1-CG2 3.97Å; F233-V237 HydrophobicContact CE2-CG2 4.36Å; F233-V237 HydrophobicContact CZ-CG2 3.98Å; F233-V237 WeakPolarHBondContact O-CG2 3.31Å; F233-V237 PolarHBondContact O-N 3.19Å; F233-L259 HydrophobicContact CD2-CD2 4.44Å |
| 234 | K | 97.9 | Very high | 96.8 | Very high | 75 Ų | 75 | 62 Ų | 62 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 179.8 | -75.5 | -177.9 | 168.2 | -177.8 | 0 | 112.5 | Q230 I231 V237 Q238 L325 | Q230-K234 WeakPolarHBondContact O-CB 3.46Å; Q230-K234 WeakPolarHBondContact O-CG 3.17Å; Q230-K234 PolarHBondContact O-N 2.77Å; Q230-K234 VanDerWaalsContact O-N 3.16Å; I231-K234 PolarHBondContact O-N 3.24Å; K234-V237 PolarHBondContact O-N 3.26Å; K234-Q238 WeakPolarHBondContact O-CB 3.47Å; K234-Q238 WeakPolarHBondContact O-CG 3.38Å; K234-Q238 PolarHBondContact O-N 3.47Å; K234-L325 HydrophobicContact CB-CD2 3.96Å; K234-L325 HydrophobicContact CD-CB 4.38Å; K234-L325 WeakPolarHBondContact CD-O 3.07Å; K234-L325 PolarHBondContact NZ-O 2.8Å |
| 235 | N | 97.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.1 | -163.9 | 2.4 | 0 | 0 | 0 | 110.5 | I231 A232 F233 V237 Q238 R239 M305 L325 | I231-N235 WeakPolarHBondContact O-CB 3.26Å; I231-N235 PolarHBondContact O-N 3.33Å; A232-N235 PolarHBondContact O-N 3.38Å; F233-N235 VanDerWaalsContact C-N 3.33Å; F233-N235 PolarHBondContact O-N 3.28Å; N235-V237 PolarHBondContact O-N 2.76Å; N235-Q238 PolarHBondContact O-N 2.84Å; N235-R239 WeakPolarHBondContact O-CB 3.28Å; N235-R239 PolarHBondContact O-N 3.22Å; N235-M305 WeakPolarHBondContact CB-O 3.31Å; N235-M305 PolarHBondContact ND2-O 2.95Å; N235-L325 HydrophobicContact CB-CD1 3.82Å |
| 236 | L | 97.9 | Very high | 96.8 | Very high | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 174.2 | 177.9 | 63.9 | 0 | 0 | 0 | 111.9 | A232 F233 Q238 R239 N240 L259 L300 M305 | A232-L236 WeakPolarHBondContact O-CB 3.17Å; A232-L236 PolarHBondContact O-N 2.88Å; F233-L236 PolarHBondContact O-N 3.49Å; L236-Q238 PolarHBondContact O-N 2.76Å; L236-R239 PolarHBondContact O-N 3.32Å; L236-N240 WeakPolarHBondContact O-CB 3.48Å; L236-N240 VanDerWaalsContact O-CG 3.23Å; L236-N240 PolarHBondContact O-N 3.5Å; L236-N240 PolarHBondContact O-OD1 3.29Å; L236-L259 HydrophobicContact CD2-CD1 3.91Å; L236-L300 HydrophobicContact CB-CD2 4.42Å; L236-L300 HydrophobicContact CD2-CD1 4.08Å; L236-L300 HydrophobicContact CD2-CD2 3.88Å; L236-L300 HydrophobicContact CD2-CG 4.11Å; L236-M305 HydrophobicContact CB-CG 4.42Å; L236-M305 HydrophobicContact CB-SD 4.18Å; L236-M305 HydrophobicContact CD1-SD 4.3Å |
| 237 | V | 97.6 | Very high | 96.7 | Very high | 59 Ų | 59 | 69 Ų | 69 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 179.2 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | F233 K234 N235 R241 | F233-V237 HydrophobicContact CD1-CG2 4.35Å; F233-V237 HydrophobicContact CE1-CG2 3.97Å; F233-V237 HydrophobicContact CE2-CG2 4.36Å; F233-V237 HydrophobicContact CZ-CG2 3.98Å; F233-V237 WeakPolarHBondContact O-CG2 3.31Å; F233-V237 PolarHBondContact O-N 3.19Å; K234-V237 PolarHBondContact O-N 3.26Å; N235-V237 PolarHBondContact O-N 2.76Å; V237-R241 WeakPolarHBondContact O-CB 3.49Å; V237-R241 PolarHBondContact O-N 2.93Å |
| 238 | Q | 96.7 | Very high | 96.4 | Very high | 94 Ų | 94 | 74.3 Ų | 74.3 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 177.3 | -76.5 | -176.3 | -3.8 | 0 | 0 | 112 | K234 N235 L236 R241 H242 | K234-Q238 WeakPolarHBondContact O-CB 3.47Å; K234-Q238 WeakPolarHBondContact O-CG 3.38Å; K234-Q238 PolarHBondContact O-N 3.47Å; N235-Q238 PolarHBondContact O-N 2.84Å; L236-Q238 PolarHBondContact O-N 2.76Å; Q238-R241 PolarHBondContact O-N 2.74Å; Q238-H242 WeakPolarHBondContact O-CB 3.29Å; Q238-H242 PolarHBondContact O-N 2.95Å |
| 239 | R | 97.1 | Very high | 96.1 | Very high | 108 Ų | 108 | 82.7 Ų | 82.7 | 41% | 0.408 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 176.9 | -174 | -167.7 | 73.2 | 159.2 | 2.6 | 111.6 | N235 L236 H242 A243 M305 | N235-R239 WeakPolarHBondContact O-CB 3.28Å; N235-R239 PolarHBondContact O-N 3.22Å; L236-R239 PolarHBondContact O-N 3.32Å; R239-H242 PolarHBondContact O-N 3.2Å; R239-A243 WeakPolarHBondContact O-CB 3.45Å; R239-A243 PolarHBondContact O-N 3.47Å; R239-M305 VanDerWaalsContact NH1-CE 3.26Å |
| 240 | N | 96.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 83.2 Ų | 83.2 | 33% | 0.332 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | -178.9 | -67.7 | 0.1 | 0 | 0 | 0 | 111.1 | L236 H242 A243 E244 | L236-N240 WeakPolarHBondContact O-CB 3.48Å; L236-N240 VanDerWaalsContact O-CG 3.23Å; L236-N240 PolarHBondContact O-N 3.5Å; L236-N240 PolarHBondContact O-OD1 3.29Å; N240-H242 VanDerWaalsContact C-N 3.32Å; N240-H242 PolarHBondContact O-N 3.18Å; N240-A243 PolarHBondContact O-N 3.07Å; N240-E244 WeakPolarHBondContact O-CG 3.5Å; N240-E244 PolarHBondContact O-N 3.36Å |
| 241 | R | 96.2 | Very high | 95.8 | Very high | 151 Ų | 151 | 82.5 Ų | 82.5 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.7 | -45.4 | 174.1 | 177.6 | -179.8 | -68.1 | -179.5 | -1 | 111.8 | V237 Q238 Q245 | V237-R241 WeakPolarHBondContact O-CB 3.49Å; V237-R241 PolarHBondContact O-N 2.93Å; Q238-R241 PolarHBondContact O-N 2.74Å; R241-Q245 WeakPolarHBondContact O-CB 3.42Å; R241-Q245 WeakPolarHBondContact O-CG 3.28Å; R241-Q245 PolarHBondContact O-N 3.08Å |
| 242 | H | 95.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 85.7 Ų | 85.7 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 177.8 | 178 | -103 | 0 | 0 | 0 | 111.9 | Q238 R239 N240 E244 Q245 Q246 | Q238-H242 WeakPolarHBondContact O-CB 3.29Å; Q238-H242 PolarHBondContact O-N 2.95Å; R239-H242 PolarHBondContact O-N 3.2Å; N240-H242 VanDerWaalsContact C-N 3.32Å; N240-H242 PolarHBondContact O-N 3.18Å; H242-E244 PolarHBondContact O-N 2.94Å; H242-Q245 PolarHBondContact O-N 2.95Å; H242-Q246 VanDerWaalsContact CE1-CD 3.48Å; H242-Q246 PolarHBondContact CE1-NE2 2.91Å; H242-Q246 PolarHBondContact NE2-NE2 3.29Å; H242-Q246 WeakPolarHBondContact O-CG 3.38Å; H242-Q246 PolarHBondContact O-N 2.54Å |
| 243 | A | 95.8 | Very high | 95.5 | Very high | 51 Ų | 51 | 91.6 Ų | 91.6 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R239 N240 Q246 A247 | R239-A243 WeakPolarHBondContact O-CB 3.45Å; R239-A243 PolarHBondContact O-N 3.47Å; N240-A243 PolarHBondContact O-N 3.07Å; A243-Q246 PolarHBondContact O-N 2.94Å; A243-A247 WeakPolarHBondContact O-CB 3.44Å; A243-A247 PolarHBondContact O-N 3.41Å |
| 244 | E | 95.9 | Very high | 95.4 | Very high | 88 Ų | 88 | 93.7 Ų | 93.7 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 175.7 | -73.7 | 176.2 | -167.3 | 0 | 0 | 112.3 | N240 H242 A247 S248 | N240-E244 WeakPolarHBondContact O-CG 3.5Å; N240-E244 PolarHBondContact O-N 3.36Å; H242-E244 PolarHBondContact O-N 2.94Å; E244-A247 PolarHBondContact O-N 3.49Å; E244-S248 WeakPolarHBondContact O-CA 3.46Å; E244-S248 PolarHBondContact O-N 3.48Å |
| 245 | Q | 94.9 | Very high | 95.3 | Very high | 132 Ų | 132 | 93.8 Ų | 93.8 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 174.9 | -74.4 | 170.7 | 7 | 0 | 0 | 112 | R241 H242 S248 | R241-Q245 WeakPolarHBondContact O-CB 3.42Å; R241-Q245 WeakPolarHBondContact O-CG 3.28Å; R241-Q245 PolarHBondContact O-N 3.08Å; H242-Q245 PolarHBondContact O-N 2.95Å; Q245-S248 PolarHBondContact O-N 3.16Å |
| 246 | Q | 95.5 | Very high | 95.3 | Very high | 142 Ų | 142 | 95 Ų | 95 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69 | -39.6 | 176.8 | -72 | -174.3 | -15.3 | 0 | 0 | 112.8 | H242 A243 S248 | H242-Q246 VanDerWaalsContact CE1-CD 3.48Å; H242-Q246 PolarHBondContact CE1-NE2 2.91Å; H242-Q246 PolarHBondContact NE2-NE2 3.29Å; H242-Q246 WeakPolarHBondContact O-CG 3.38Å; H242-Q246 PolarHBondContact O-N 2.54Å; A243-Q246 PolarHBondContact O-N 2.94Å; Q246-S248 VanDerWaalsContact C-N 3.3Å |
| 247 | A | 94.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 99.8 Ų | 99.8 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.5 | -14.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A243 E244 R249 | A243-A247 WeakPolarHBondContact O-CB 3.44Å; A243-A247 PolarHBondContact O-N 3.41Å; E244-A247 PolarHBondContact O-N 3.49Å; A247-R249 PolarHBondContact O-N 3.31Å |
| 248 | S | 91.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 104.2 Ų | 104.2 | 81% | 0.811 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.7 | 15.9 | -173.1 | -152.8 | 0 | 0 | 0 | 0 | 114.1 | E244 Q245 Q246 | E244-S248 WeakPolarHBondContact O-CA 3.46Å; E244-S248 PolarHBondContact O-N 3.48Å; Q245-S248 PolarHBondContact O-N 3.16Å; Q246-S248 VanDerWaalsContact C-N 3.3Å |
| 249 | R | 90.5 | Very high | 95.1 | Very high | 186 Ų | 186 | 102.7 Ų | 102.7 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -153.6 | 137.8 | -178 | -169.6 | -175.2 | 170.8 | 169 | -0.3 | 109.9 | A247 | A247-R249 PolarHBondContact O-N 3.31Š|
| 250 | P | 91.8 | Very high | 95.1 | Very high | 87 Ų | 87 | 102 Ų | 102 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 146.6 | 168.9 | -22.5 | 33.5 | 0 | 0 | 0 | 111.9 | ||
| 251 | P | 95 | Very high | 95.1 | Very high | 60 Ų | 60 | 100.9 Ų | 100.9 | 39% | 0.39 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 151.2 | 174.1 | 25.4 | -36.2 | 0 | 0 | 0 | 112.2 | V256 | P251-V256 HydrophobicContact CB-CG2 3.64Å; P251-V256 HydrophobicContact CG-CG2 3.41Å; P251-V256 VanDerWaalsContact CG-CG2 3.41Å |
| 252 | P | 95.2 | Very high | 95.1 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 141.1 | 173.6 | -26.2 | 34.3 | 0 | 0 | 0 | 112.8 | N254 S255 | P252-N254 WeakPolarHBondContact CB-OD1 3.29Å; P252-N254 PolarHBondContact O-N 3.47Å; P252-N254 VanDerWaalsContact O-N 3.1Å; P252-S255 WeakPolarHBondContact CD-OG 3.44Å; P252-S255 PolarHBondContact O-N 3.16Å; P252-S255 PolarHBondContact O-OG 2.91Å |
| 253 | P | 94.7 | Very high | 95.1 | Very high | 124 Ų | 124 | 94.1 Ų | 94.1 | 81% | 0.805 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -57 | -31.9 | -175.1 | -26.3 | 34.2 | 0 | 0 | 0 | 114.8 | S255 | P253-S255 VanDerWaalsContact C-N 3.3Å; P253-S255 PolarHBondContact O-N 2.9Å |
| 254 | N | 95.3 | Very high | 95.1 | Very high | 152 Ų | 152 | 94.3 Ų | 94.3 | 81% | 0.813 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -81.3 | -4.7 | -179.9 | 63.7 | -32.1 | 0 | 0 | 0 | 114.4 | P252 | P252-N254 WeakPolarHBondContact CB-OD1 3.29Å; P252-N254 PolarHBondContact O-N 3.47Å; P252-N254 VanDerWaalsContact O-N 3.1Å |
| 255 | S | 95.8 | Very high | 95.1 | Very high | 78 Ų | 78 | 93 Ų | 93 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -102.6 | 5.2 | 176.8 | 65 | 0 | 0 | 0 | 0 | 113.6 | P252 P253 | P252-S255 WeakPolarHBondContact CD-OG 3.44Å; P252-S255 PolarHBondContact O-N 3.16Å; P252-S255 PolarHBondContact O-OG 2.91Å; P253-S255 VanDerWaalsContact C-N 3.3Å; P253-S255 PolarHBondContact O-N 2.9Å |
| 256 | V | 96.2 | Very high | 95.1 | Very high | 51 Ų | 51 | 88.8 Ų | 88.8 | 31% | 0.309 | 50% | 0.5 | S | S | . | . | trans | -128.5 | 140.1 | -173.2 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | P251 | P251-V256 HydrophobicContact CB-CG2 3.64Å; P251-V256 HydrophobicContact CG-CG2 3.41Å; P251-V256 VanDerWaalsContact CG-CG2 3.41Å | ||
| 257 | I | 96.9 | Very high | 95.2 | Very high | 116 Ų | 116 | 84.9 Ų | 84.9 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | trans | -118.2 | 119.3 | 170.1 | -56 | 175.3 | 0 | 0 | 0 | 106.8 | F261 | I257-F261 HydrophobicContact CG2-CB 4.08Å; I257-F261 HydrophobicContact CG2-CD1 3.63Å; I257-F261 HydrophobicContact CG2-CD2 4.4Å; I257-F261 HydrophobicContact CG2-CE1 4.14Å; I257-F261 HydrophobicContact CG2-CG 3.78Å | ||
| 258 | H | 96.1 | Very high | 95.3 | Very high | 151 Ų | 151 | 92 Ų | 92 | 70% | 0.699 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 148.7 | 177.5 | -69.9 | -76.2 | 0 | 0 | 0 | 110.9 | F261 | H258-F261 WeakPolarHBondContact O-CD1 3.47Š|
| 259 | L | 96.5 | Very high | 95.6 | Very high | 63 Ų | 63 | 95.4 Ų | 95.4 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -75 | 150.6 | 170.2 | -73.3 | 76.6 | 0 | 0 | 0 | 110.1 | F233 L236 F261 D296 L300 | F233-L259 HydrophobicContact CD2-CD2 4.44Å; L236-L259 HydrophobicContact CD2-CD1 3.91Å; L259-F261 HydrophobicContact CD1-CD1 4.45Å; L259-F261 HydrophobicContact CD1-CE1 3.92Å; L259-F261 HydrophobicContact CG-CD1 4.23Å; L259-F261 HydrophobicContact CG-CE1 4.01Å; L259-D296 HydrophobicContact CD2-CB 4.3Å; L259-D296 HydrophobicContact CG-CB 4.16Å; L259-D296 WeakPolarHBondContact CG-OD2 3.35Å; L259-L300 HydrophobicContact CD2-CD1 4.45Å; L259-L300 HydrophobicContact CD2-CD2 4.23Å |
| 260 | P | 96.2 | Very high | 95.8 | Very high | 93 Ų | 93 | 87.3 Ų | 87.3 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | S | Bend | cis | -81.3 | 146.2 | -3.7 | 32.4 | -33.9 | 0 | 0 | 0 | 113.1 | D296 | P260-D296 VanDerWaalsContact CA-OD2 3.26Å; P260-D296 WeakPolarHBondContact CA-OD2 3.46Å |
| 261 | F | 96.2 | Very high | 96.1 | Very high | 38 Ų | 38 | 87.1 Ų | 87.1 | 17% | 0.167 | 48% | 0.475 | C | S | . | . | trans | -147.2 | 162.5 | 174.2 | 65.7 | -96.7 | 0 | 0 | 0 | 112 | I257 H258 L259 I263 D296 V299 | I257-F261 HydrophobicContact CG2-CB 4.08Å; I257-F261 HydrophobicContact CG2-CD1 3.63Å; I257-F261 HydrophobicContact CG2-CD2 4.4Å; I257-F261 HydrophobicContact CG2-CE1 4.14Å; I257-F261 HydrophobicContact CG2-CG 3.78Å; H258-F261 WeakPolarHBondContact O-CD1 3.47Å; L259-F261 HydrophobicContact CD1-CD1 4.45Å; L259-F261 HydrophobicContact CD1-CE1 3.92Å; L259-F261 HydrophobicContact CG-CD1 4.23Å; L259-F261 HydrophobicContact CG-CE1 4.01Å; F261-I263 HydrophobicContact CD2-CD1 3.84Å; F261-I263 HydrophobicContact CD2-CG1 3.82Å; F261-I263 HydrophobicContact CE2-CD1 3.88Å; F261-I263 HydrophobicContact CE2-CG1 3.62Å; F261-D296 HydrophobicContact CD1-CB 3.95Å; F261-D296 HydrophobicContact CD2-CB 4.08Å; F261-D296 HydrophobicContact CE1-CB 3.8Å; F261-D296 HydrophobicContact CE2-CB 3.9Å; F261-D296 HydrophobicContact CG-CB 4.09Å; F261-D296 HydrophobicContact CZ-CB 3.76Å; F261-D296 PolarHBondContact N-OD2 3.14Å; F261-D296 WeakPolarHBondContact O-CB 3.45Å; F261-D296 PolarHBondContact O-N 3.23Å; F261-V299 HydrophobicContact CE2-CB 4.42Å; F261-V299 HydrophobicContact CE2-CG2 4.25Å; F261-V299 HydrophobicContact CZ-CG1 4.41Å | ||
| 262 | I | 96.6 | Very high | 96 | Very high | 56 Ų | 56 | 88.1 Ų | 88.1 | 29% | 0.287 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 151.5 | 165.2 | 60.3 | 156.5 | 0 | 0 | 0 | 109.6 | L14 V16 L31 I293 | L14-I262 HydrophobicContact CD2-CD1 3.32Å; L14-I262 HydrophobicContact CD2-CG1 3.77Å; L14-I262 HydrophobicContact CD2-CG2 4.4Å; V16-I262 HydrophobicContact CG2-CD1 4.48Å; L31-I262 HydrophobicContact CD1-CD1 4.42Å; L31-I262 HydrophobicContact CD2-CD1 4.3Å; I262-I293 HydrophobicContact CD1-CG2 4.38Å |
| 263 | I | 95.8 | Very high | 96 | Very high | 57 Ų | 57 | 89.8 Ų | 89.8 | 29% | 0.292 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.4 | 174.1 | -63.3 | -62.5 | 0 | 0 | 0 | 109.2 | F261 I293 H294 V299 | F261-I263 HydrophobicContact CD2-CD1 3.84Å; F261-I263 HydrophobicContact CD2-CG1 3.82Å; F261-I263 HydrophobicContact CE2-CD1 3.88Å; F261-I263 HydrophobicContact CE2-CG1 3.62Å; I263-I293 CarbonylContact O-C 3.51Å; I263-I293 WeakPolarHBondContact O-CA 3.37Å; I263-H294 PolarHBondContact N-O 3.25Å; I263-H294 PolarHBondContact O-N 2.95Å; I263-V299 HydrophobicContact CB-CG2 4.45Å; I263-V299 HydrophobicContact CG1-CG2 3.96Å |
| 264 | V | 96.2 | Very high | 96 | Very high | 55 Ų | 55 | 86.8 Ų | 86.8 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116.9 | 166.4 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | F287 F291 E292 I293 | V264-F287 HydrophobicContact CG1-CE1 4.25Å; V264-F287 HydrophobicContact CG1-CZ 3.92Å; V264-F291 HydrophobicContact CG1-CB 4.13Å; V264-F291 HydrophobicContact CG1-CD2 4.06Å; V264-F291 HydrophobicContact CG1-CG 4.32Å; V264-E292 WeakPolarHBondContact CA-O 3.31Å; V264-I293 HydrophobicContact CG2-CG1 4.28Å |
| 265 | N | 95.8 | Very high | 96 | Very high | 60 Ų | 60 | 82.9 Ų | 82.9 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 144.1 | 174.7 | 65.4 | -52.3 | 0 | 0 | 0 | 110.6 | F291 E292 H294 | N265-F291 CarbonylContact O-C 3.32Å; N265-F291 VanDerWaalsContact O-CA 3.24Å; N265-F291 WeakPolarHBondContact O-CA 3.37Å; N265-F291 WeakPolarHBondContact O-CB 3.35Å; N265-E292 PolarHBondContact N-O 3.47Å; N265-E292 PolarHBondContact ND2-OE2 3.31Å; N265-E292 PolarHBondContact O-N 3.02Å; N265-E292 WeakPolarHBondContact OD1-CB 3.36Å; N265-E292 PolarHBondContact OD1-O 3.42Å; N265-E292 VanDerWaalsContact OD1-O 3.11Å; N265-H294 PolarHBondContact OD1-CD2 3.31Å; N265-H294 PolarHBondContact OD1-NE2 3.38Å |
| 266 | T | 96.1 | Very high | 96 | Very high | 45 Ų | 45 | 83.4 Ų | 83.4 | 28% | 0.276 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 175.6 | 173.8 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | T270 I272 F287 T290 | T266-T270 HydrophobicContact CG2-CG2 3.97Å; T266-T270 WeakPolarHBondContact OG1-CB 3.48Å; T266-T270 WeakPolarHBondContact OG1-CG2 3Å; T266-T270 PolarHBondContact OG1-OG1 2.67Å; T266-I272 HydrophobicContact CG2-CD1 3.9Å; T266-F287 HydrophobicContact CG2-CD1 4.33Å; T266-F287 HydrophobicContact CG2-CE1 4.39Å; T266-T290 PolarHBondContact OG1-O 2.97Å |
| 267 | S | 97.1 | Very high | 95.9 | Very high | 59 Ų | 59 | 82.5 Ų | 82.5 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | trans | -61 | 145.1 | 174.5 | 178.2 | 0 | 0 | 0 | 0 | 111 | K269 T270 | S267-K269 PolarHBondContact O-N 3.39Å; S267-K269 PolarHBondContact OG-N 3.06Å; S267-T270 WeakPolarHBondContact CB-OG1 3.5Å; S267-T270 PolarHBondContact N-OG1 3.02Å; S267-T270 VanDerWaalsContact O-CB 3.32Å; S267-T270 WeakPolarHBondContact O-CB 2.89Å; S267-T270 PolarHBondContact O-N 2.83Å; S267-T270 PolarHBondContact O-OG1 3.48Å; S267-T270 VanDerWaalsContact O-OG1 3.05Å | ||
| 268 | K | 97.2 | Very high | 95.9 | Very high | 219 Ų | 219 | 85.5 Ų | 85.5 | 95% | 0.952 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.8 | 174 | -65 | -175 | 179 | -178.3 | 0 | 113.7 | ||
| 269 | K | 96.8 | Very high | 95.8 | Very high | 187 Ų | 187 | 83 Ų | 83 | 81% | 0.813 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -8 | 179.4 | -60.4 | -177.7 | -179.5 | 179.1 | 0 | 113.1 | S267 | S267-K269 PolarHBondContact O-N 3.39Å; S267-K269 PolarHBondContact OG-N 3.06Å |
| 270 | T | 95.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 86.4 Ų | 86.4 | 10% | 0.104 | 46% | 0.46 | C | S | . | . | trans | -69.3 | 130.4 | -178 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | T266 S267 I272 F287 D288 N289 | T266-T270 HydrophobicContact CG2-CG2 3.97Å; T266-T270 WeakPolarHBondContact OG1-CB 3.48Å; T266-T270 WeakPolarHBondContact OG1-CG2 3Å; T266-T270 PolarHBondContact OG1-OG1 2.67Å; S267-T270 WeakPolarHBondContact CB-OG1 3.5Å; S267-T270 PolarHBondContact N-OG1 3.02Å; S267-T270 VanDerWaalsContact O-CB 3.32Å; S267-T270 WeakPolarHBondContact O-CB 2.89Å; S267-T270 PolarHBondContact O-N 2.83Å; S267-T270 PolarHBondContact O-OG1 3.48Å; S267-T270 VanDerWaalsContact O-OG1 3.05Å; T270-I272 HydrophobicContact CG2-CG1 4.15Å; T270-F287 HydrophobicContact CG2-CB 4.22Å; T270-F287 HydrophobicContact CG2-CD1 4.16Å; T270-D288 VanDerWaalsContact CA-OD1 3.29Å; T270-D288 WeakPolarHBondContact CA-OD1 3.46Å; T270-D288 VanDerWaalsContact CG2-OD1 3.28Å; T270-D288 WeakPolarHBondContact CG2-OD1 3.2Å; T270-N289 HydrophobicContact CG2-CB 3.72Å; T270-N289 WeakPolarHBondContact OG1-CB 3.45Å | ||
| 271 | V | 96.1 | Very high | 95.6 | Very high | 83 Ų | 83 | 85.5 Ų | 85.5 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | trans | -83.5 | 129.5 | 168.8 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | D288 | V271-D288 HydrophobicContact CB-CB 4.34Å; V271-D288 WeakPolarHBondContact CG2-OD2 3.5Å; V271-D288 PolarHBondContact N-OD1 3.41Å; V271-D288 PolarHBondContact O-N 3.49Å; V271-D288 VanDerWaalsContact O-N 3.15Å | ||
| 272 | I | 94.9 | Very high | 95.4 | Very high | 80 Ų | 80 | 88.7 Ų | 88.7 | 41% | 0.41 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117.9 | -177.5 | -50.7 | 172.3 | 0 | 0 | 0 | 108.4 | T266 T270 F285 N286 F287 | T266-I272 HydrophobicContact CG2-CD1 3.9Å; T270-I272 HydrophobicContact CG2-CG1 4.15Å; I272-F285 HydrophobicContact CG2-CD1 4.1Å; I272-N286 WeakPolarHBondContact CA-O 3.18Å; I272-F287 HydrophobicContact CD1-CD1 4.13Å; I272-F287 HydrophobicContact CD1-CE1 3.83Å; I272-F287 HydrophobicContact CG1-CD1 3.8Å; I272-F287 HydrophobicContact CG1-CE1 3.96Å; I272-F287 HydrophobicContact CG2-CD1 4.27Å; I272-F287 HydrophobicContact CG2-CE1 4.01Å; I272-F287 HydrophobicContact CG2-CZ 4.36Å |
| 273 | D | 95.1 | Very high | 95.2 | Very high | 101 Ų | 101 | 89.1 Ų | 89.1 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131 | 169.9 | -61 | -49.4 | 0 | 0 | 0 | 109.1 | F285 N286 | D273-F285 CarbonylContact O-C 3.3Å; D273-F285 WeakPolarHBondContact O-CA 3.34Å; D273-N286 HydrophobicContact CB-CB 4.26Å; D273-N286 PolarHBondContact N-O 3.07Å; D273-N286 PolarHBondContact O-N 2.78Å |
| 274 | C | 94.1 | Very high | 95.2 | Very high | 61 Ų | 61 | 89.3 Ų | 89.3 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.2 | -178 | -179 | 0 | 0 | 0 | 0 | 110.5 | I276 L284 F285 | C274-I276 WeakPolarHBondContact SG-CG1 3.38Å; C274-L284 CarbonylContact C-O 3.52Å; C274-L284 WeakPolarHBondContact CA-O 3.44Å; C274-F285 HydrophobicContact CB-CD1 3.91Å; C274-F285 HydrophobicContact CB-CE1 3.94Å; C274-F285 WeakPolarHBondContact SG-CE1 3.34Å |
| 275 | S | 94.5 | Very high | 95.1 | Very high | 70 Ų | 70 | 89.1 Ų | 89.1 | 49% | 0.49 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.6 | 169.3 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | Y283 L284 | S275-Y283 WeakPolarHBondContact O-CA 3.21Å; S275-L284 PolarHBondContact N-O 2.85Å; S275-L284 PolarHBondContact O-N 3.34Å |
| 276 | I | 95.3 | Very high | 95 | Very high | 90 Ų | 90 | 89 Ų | 89 | 46% | 0.462 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.9 | -174.1 | -48.2 | 173.5 | 0 | 0 | 0 | 107.8 | C274 K280 Y283 | C274-I276 WeakPolarHBondContact SG-CG1 3.38Å; I276-K280 HydrophobicContact CG2-CB 4.46Å; I276-K280 HydrophobicContact CG2-CG 4.14Å; I276-Y283 HydrophobicContact CB-CD1 4.26Å; I276-Y283 HydrophobicContact CB-CE1 4.26Å; I276-Y283 HydrophobicContact CD1-CD1 4.02Å; I276-Y283 HydrophobicContact CD1-CE1 3.72Å; I276-Y283 HydrophobicContact CG1-CD1 3.65Å; I276-Y283 HydrophobicContact CG1-CE1 3.79Å; I276-Y283 HydrophobicContact CG2-CD1 3.8Å; I276-Y283 HydrophobicContact CG2-CE1 3.47Å; I276-Y283 VanDerWaalsContact CG2-CE1 3.47Å; I276-Y283 HydrophobicContact CG2-CE2 4.25Å; I276-Y283 HydrophobicContact CG2-CG 4.3Å |
| 277 | S | 95.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 87.4 Ų | 87.4 | 22% | 0.224 | 45% | 0.446 | C | S | . | . | trans | -63.4 | 155 | 172.4 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | D279 K280 F281 E282 | S277-D279 VanDerWaalsContact CB-OD1 3.22Å; S277-D279 WeakPolarHBondContact CB-OD1 3.33Å; S277-D279 PolarHBondContact O-N 3.48Å; S277-D279 PolarHBondContact OG-OD1 2.99Å; S277-K280 PolarHBondContact O-N 2.65Å; S277-K280 PolarHBondContact OG-N 3.3Å; S277-F281 PolarHBondContact OG-N 2.99Å; S277-E282 PolarHBondContact N-O 2.82Å; S277-E282 PolarHBondContact OG-N 2.97Å; S277-E282 PolarHBondContact OG-O 2.87Å | ||
| 278 | N | 96.1 | Very high | 94.8 | Very high | 178 Ų | 178 | 88.1 Ų | 88.1 | 95% | 0.952 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.5 | -178.4 | -70.4 | -39.1 | 0 | 0 | 0 | 113 | K280 | N278-K280 VanDerWaalsContact C-N 3.33Š|
| 279 | D | 95.1 | Very high | 94.5 | Very high | 98 Ų | 98 | 80.7 Ų | 80.7 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -5.1 | 178.9 | 61.1 | 6 | 0 | 0 | 0 | 113.4 | S277 F281 | S277-D279 VanDerWaalsContact CB-OD1 3.22Å; S277-D279 WeakPolarHBondContact CB-OD1 3.33Å; S277-D279 PolarHBondContact O-N 3.48Å; S277-D279 PolarHBondContact OG-OD1 2.99Å; D279-F281 HydrophobicContact CB-CD2 3.64Å; D279-F281 HydrophobicContact CB-CE2 4.13Å; D279-F281 VanDerWaalsContact CG-CD2 3.42Å; D279-F281 PolarHBondContact O-N 3.49Å; D279-F281 PolarHBondContact OD1-N 2.81Å; D279-F281 VanDerWaalsContact OD1-N 3.08Å; D279-F281 WeakPolarHBondContact OD2-CD2 3.45Å |
| 280 | K | 93.9 | Very high | 94.4 | Very high | 136 Ų | 136 | 76.6 Ų | 76.6 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 58.6 | 28.3 | -177.4 | -58.3 | -177.8 | -178.9 | -178.2 | 0 | 113.8 | I276 S277 N278 Y283 | I276-K280 HydrophobicContact CG2-CB 4.46Å; I276-K280 HydrophobicContact CG2-CG 4.14Å; S277-K280 PolarHBondContact O-N 2.65Å; S277-K280 PolarHBondContact OG-N 3.3Å; N278-K280 VanDerWaalsContact C-N 3.33Å; K280-Y283 HydrophobicContact CB-CE2 4.33Å; K280-Y283 WeakPolarHBondContact CB-OH 3.27Å; K280-Y283 WeakPolarHBondContact O-CE2 3.25Å |
| 281 | F | 93.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 77.3 Ų | 77.3 | 32% | 0.32 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -91.9 | -19.4 | 171.5 | -73 | -67.8 | 0 | 0 | 0 | 113.1 | V32 A33 H35 S277 D279 | V32-F281 CarbonylContact C-O 3.57Å; V32-F281 WeakPolarHBondContact CA-O 3.36Å; A33-F281 HydrophobicContact CB-CD1 4.19Å; A33-F281 PolarHBondContact N-O 3.23Å; A33-F281 WeakPolarHBondContact O-CD1 3.4Å; H35-F281 HydrophobicContact CB-CE1 3.6Å; H35-F281 HydrophobicContact CB-CZ 3.75Å; H35-F281 AromaticContact CD2-CE1 3.9Å; H35-F281 AromaticContact CD2-CZ 3.66Å; H35-F281 AromaticContact CG-CZ 3.95Å; S277-F281 PolarHBondContact OG-N 2.99Å; D279-F281 HydrophobicContact CB-CD2 3.64Å; D279-F281 HydrophobicContact CB-CE2 4.13Å; D279-F281 VanDerWaalsContact CG-CD2 3.42Å; D279-F281 PolarHBondContact O-N 3.49Å; D279-F281 PolarHBondContact OD1-N 2.81Å; D279-F281 VanDerWaalsContact OD1-N 3.08Å; D279-F281 WeakPolarHBondContact OD2-CD2 3.45Å |
| 282 | E | 92.6 | Very high | 94.4 | Very high | 106 Ų | 106 | 78.5 Ų | 78.5 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 129.3 | 178.8 | -170.3 | 175.3 | -166.5 | 0 | 0 | 110.4 | V32 S277 | V32-E282 HydrophobicContact CG2-CG 4.45Å; S277-E282 PolarHBondContact N-O 2.82Å; S277-E282 PolarHBondContact OG-N 2.97Å; S277-E282 PolarHBondContact OG-O 2.87Å |
| 283 | Y | 93.5 | Very high | 94.4 | Very high | 65 Ų | 65 | 77.3 Ų | 77.3 | 26% | 0.255 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.9 | 175 | -66.2 | -109 | 0 | 0 | 0 | 109.3 | S30 L31 S275 I276 K280 F285 | S30-Y283 WeakPolarHBondContact CA-O 3.44Å; L31-Y283 PolarHBondContact N-O 3.4Å; L31-Y283 PolarHBondContact O-N 3.26Å; S275-Y283 WeakPolarHBondContact O-CA 3.21Å; I276-Y283 HydrophobicContact CB-CD1 4.26Å; I276-Y283 HydrophobicContact CB-CE1 4.26Å; I276-Y283 HydrophobicContact CD1-CD1 4.02Å; I276-Y283 HydrophobicContact CD1-CE1 3.72Å; I276-Y283 HydrophobicContact CG1-CD1 3.65Å; I276-Y283 HydrophobicContact CG1-CE1 3.79Å; I276-Y283 HydrophobicContact CG2-CD1 3.8Å; I276-Y283 HydrophobicContact CG2-CE1 3.47Å; I276-Y283 VanDerWaalsContact CG2-CE1 3.47Å; I276-Y283 HydrophobicContact CG2-CE2 4.25Å; I276-Y283 HydrophobicContact CG2-CG 4.3Å; K280-Y283 HydrophobicContact CB-CE2 4.33Å; K280-Y283 WeakPolarHBondContact CB-OH 3.27Å; K280-Y283 WeakPolarHBondContact O-CE2 3.25Å; Y283-F285 HydrophobicContact CD1-CE2 4.14Å; Y283-F285 AromaticContact CD1-CZ 3.97Å; Y283-F285 HydrophobicContact CD1-CZ 3.97Å; Y283-F285 HydrophobicContact CG-CE2 4.18Å; Y283-F285 HydrophobicContact CG-CZ 4.47Å |
| 284 | L | 94.2 | Very high | 94.4 | Very high | 60 Ų | 60 | 73.5 Ų | 73.5 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.2 | 173.4 | -175.8 | 69.6 | 0 | 0 | 0 | 109.1 | V28 C274 S275 | V28-L284 HydrophobicContact CG1-CD1 3.48Å; V28-L284 VanDerWaalsContact CG1-CD1 3.48Å; V28-L284 HydrophobicContact CG1-CG 4.41Å; C274-L284 CarbonylContact C-O 3.52Å; C274-L284 WeakPolarHBondContact CA-O 3.44Å; S275-L284 PolarHBondContact N-O 2.85Å; S275-L284 PolarHBondContact O-N 3.34Å |
| 285 | F | 94.8 | Very high | 94.5 | Very high | 51 Ų | 51 | 74.7 Ų | 74.7 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.2 | 176.3 | -62.1 | -91.3 | 0 | 0 | 0 | 110 | V28 V29 L31 I272 D273 C274 Y283 F287 | V28-F285 WeakPolarHBondContact CA-O 3.22Å; V29-F285 HydrophobicContact CB-CB 4.45Å; V29-F285 PolarHBondContact N-O 2.98Å; V29-F285 PolarHBondContact O-N 3.15Å; L31-F285 HydrophobicContact CD1-CD2 4.38Å; L31-F285 HydrophobicContact CD1-CE2 3.91Å; L31-F285 HydrophobicContact CG-CE2 4.5Å; I272-F285 HydrophobicContact CG2-CD1 4.1Å; D273-F285 CarbonylContact O-C 3.3Å; D273-F285 WeakPolarHBondContact O-CA 3.34Å; C274-F285 HydrophobicContact CB-CD1 3.91Å; C274-F285 HydrophobicContact CB-CE1 3.94Å; C274-F285 WeakPolarHBondContact SG-CE1 3.34Å; Y283-F285 HydrophobicContact CD1-CE2 4.14Å; Y283-F285 AromaticContact CD1-CZ 3.97Å; Y283-F285 HydrophobicContact CD1-CZ 3.97Å; Y283-F285 HydrophobicContact CG-CE2 4.18Å; Y283-F285 HydrophobicContact CG-CZ 4.47Å; F285-F287 HydrophobicContact CB-CD2 4.24Å; F285-F287 HydrophobicContact CB-CE2 3.4Å; F285-F287 HydrophobicContact CB-CZ 3.77Å; F285-F287 HydrophobicContact CG-CE2 4.43Å; F285-F287 HydrophobicContact CG-CZ 4.41Å |
| 286 | N | 93.8 | Very high | 94.5 | Very high | 57 Ų | 57 | 72.4 Ų | 72.4 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.3 | 170.8 | -60.9 | -42.8 | 0 | 0 | 0 | 109.1 | I272 D273 | I272-N286 WeakPolarHBondContact CA-O 3.18Å; D273-N286 HydrophobicContact CB-CB 4.26Å; D273-N286 PolarHBondContact N-O 3.07Å; D273-N286 PolarHBondContact O-N 2.78Å |
| 287 | F | 95 | Very high | 94.5 | Very high | 13 Ų | 13 | 69 Ų | 69 | 6% | 0.057 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.4 | 177.3 | -58.5 | -98.9 | 0 | 0 | 0 | 109.5 | K26 G27 V29 V264 T266 T270 I272 F285 N289 F291 | K26-F287 WeakPolarHBondContact CA-O 3.26Å; G27-F287 PolarHBondContact N-O 2.88Å; G27-F287 VanDerWaalsContact N-O 3.14Å; G27-F287 PolarHBondContact O-N 3Å; V29-F287 HydrophobicContact CB-CE2 4.1Å; V29-F287 HydrophobicContact CG2-CD2 4.27Å; V29-F287 HydrophobicContact CG2-CE2 3.69Å; V264-F287 HydrophobicContact CG1-CE1 4.25Å; V264-F287 HydrophobicContact CG1-CZ 3.92Å; T266-F287 HydrophobicContact CG2-CD1 4.33Å; T266-F287 HydrophobicContact CG2-CE1 4.39Å; T270-F287 HydrophobicContact CG2-CB 4.22Å; T270-F287 HydrophobicContact CG2-CD1 4.16Å; I272-F287 HydrophobicContact CD1-CD1 4.13Å; I272-F287 HydrophobicContact CD1-CE1 3.83Å; I272-F287 HydrophobicContact CG1-CD1 3.8Å; I272-F287 HydrophobicContact CG1-CE1 3.96Å; I272-F287 HydrophobicContact CG2-CD1 4.27Å; I272-F287 HydrophobicContact CG2-CE1 4.01Å; I272-F287 HydrophobicContact CG2-CZ 4.36Å; F285-F287 HydrophobicContact CB-CD2 4.24Å; F285-F287 HydrophobicContact CB-CE2 3.4Å; F285-F287 HydrophobicContact CB-CZ 3.77Å; F285-F287 HydrophobicContact CG-CE2 4.43Å; F285-F287 HydrophobicContact CG-CZ 4.41Å; F287-N289 VanDerWaalsContact CB-O 3.29Å; F287-N289 WeakPolarHBondContact CB-O 3.39Å; F287-N289 PolarHBondContact O-N 3.36Å; F287-F291 HydrophobicContact CB-CD1 3.88Å; F287-F291 HydrophobicContact CB-CE1 4.38Å; F287-F291 HydrophobicContact CD1-CB 4.2Å; F287-F291 HydrophobicContact CD1-CD1 4.02Å; F287-F291 HydrophobicContact CD1-CG 4.36Å; F287-F291 AromaticContact CD2-CD1 3.45Å; F287-F291 HydrophobicContact CD2-CD1 3.45Å; F287-F291 VanDerWaalsContact CD2-CD1 3.45Å; F287-F291 AromaticContact CD2-CE1 3.62Å; F287-F291 HydrophobicContact CD2-CE1 3.62Å; F287-F291 HydrophobicContact CD2-CG 4.22Å; F287-F291 HydrophobicContact CE1-CB 4.27Å; F287-F291 HydrophobicContact CE1-CD1 4.45Å; F287-F291 HydrophobicContact CE1-CG 4.43Å; F287-F291 AromaticContact CE2-CD1 3.93Å; F287-F291 HydrophobicContact CE2-CD1 3.93Å; F287-F291 HydrophobicContact CE2-CE1 4.11Å; F287-F291 HydrophobicContact CE2-CG 4.29Å; F287-F291 AromaticContact CG-CD1 3.51Å; F287-F291 HydrophobicContact CG-CD1 3.51Å; F287-F291 HydrophobicContact CG-CE1 4.1Å; F287-F291 HydrophobicContact CG-CG 4.27Å; F287-F291 HydrophobicContact CZ-CD1 4.41Å; F287-F291 HydrophobicContact CZ-CG 4.41Å |
| 288 | D | 93.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 70.5 Ų | 70.5 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -81 | -0 | 172.6 | 80.1 | -22.2 | 0 | 0 | 0 | 113.7 | G25 T270 V271 | G25-D288 CarbonylContact O-C 3.55Å; T270-D288 VanDerWaalsContact CA-OD1 3.29Å; T270-D288 WeakPolarHBondContact CA-OD1 3.46Å; T270-D288 VanDerWaalsContact CG2-OD1 3.28Å; T270-D288 WeakPolarHBondContact CG2-OD1 3.2Å; V271-D288 HydrophobicContact CB-CB 4.34Å; V271-D288 WeakPolarHBondContact CG2-OD2 3.5Å; V271-D288 PolarHBondContact N-OD1 3.41Å; V271-D288 PolarHBondContact O-N 3.49Å; V271-D288 VanDerWaalsContact O-N 3.15Å |
| 289 | N | 92.7 | Very high | 94.6 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -144.3 | 174.2 | -179.9 | -148.8 | -27.1 | 0 | 0 | 0 | 110.9 | G25 T270 F287 | G25-N289 CarbonylContact O-C 3.56Å; G25-N289 VanDerWaalsContact O-C 3.3Å; G25-N289 WeakPolarHBondContact O-CA 3.4Å; G25-N289 PolarHBondContact O-N 2.94Å; T270-N289 HydrophobicContact CG2-CB 3.72Å; T270-N289 WeakPolarHBondContact OG1-CB 3.45Å; F287-N289 VanDerWaalsContact CB-O 3.29Å; F287-N289 WeakPolarHBondContact CB-O 3.39Å; F287-N289 PolarHBondContact O-N 3.36Å |
| 290 | T | 94.4 | Very high | 94.7 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | trans | -64.6 | 147.6 | 175.1 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | T266 | T266-T290 PolarHBondContact OG1-O 2.97Š| ||
| 291 | F | 95.4 | Very high | 94.8 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 163 | 171.5 | 60 | -91.2 | 0 | 0 | 0 | 109.2 | V29 V264 N265 F287 I293 | V29-F291 HydrophobicContact CG2-CD1 4.46Å; V29-F291 HydrophobicContact CG2-CD2 4.07Å; V29-F291 HydrophobicContact CG2-CE1 3.69Å; V29-F291 HydrophobicContact CG2-CE2 3.23Å; V29-F291 HydrophobicContact CG2-CZ 3.02Å; V264-F291 HydrophobicContact CG1-CB 4.13Å; V264-F291 HydrophobicContact CG1-CD2 4.06Å; V264-F291 HydrophobicContact CG1-CG 4.32Å; N265-F291 CarbonylContact O-C 3.32Å; N265-F291 VanDerWaalsContact O-CA 3.24Å; N265-F291 WeakPolarHBondContact O-CA 3.37Å; N265-F291 WeakPolarHBondContact O-CB 3.35Å; F287-F291 HydrophobicContact CB-CD1 3.88Å; F287-F291 HydrophobicContact CB-CE1 4.38Å; F287-F291 HydrophobicContact CD1-CB 4.2Å; F287-F291 HydrophobicContact CD1-CD1 4.02Å; F287-F291 HydrophobicContact CD1-CG 4.36Å; F287-F291 AromaticContact CD2-CD1 3.45Å; F287-F291 HydrophobicContact CD2-CD1 3.45Å; F287-F291 VanDerWaalsContact CD2-CD1 3.45Å; F287-F291 AromaticContact CD2-CE1 3.62Å; F287-F291 HydrophobicContact CD2-CE1 3.62Å; F287-F291 HydrophobicContact CD2-CG 4.22Å; F287-F291 HydrophobicContact CE1-CB 4.27Å; F287-F291 HydrophobicContact CE1-CD1 4.45Å; F287-F291 HydrophobicContact CE1-CG 4.43Å; F287-F291 AromaticContact CE2-CD1 3.93Å; F287-F291 HydrophobicContact CE2-CD1 3.93Å; F287-F291 HydrophobicContact CE2-CE1 4.11Å; F287-F291 HydrophobicContact CE2-CG 4.29Å; F287-F291 AromaticContact CG-CD1 3.51Å; F287-F291 HydrophobicContact CG-CD1 3.51Å; F287-F291 HydrophobicContact CG-CE1 4.1Å; F287-F291 HydrophobicContact CG-CG 4.27Å; F287-F291 HydrophobicContact CZ-CD1 4.41Å; F287-F291 HydrophobicContact CZ-CG 4.41Å; F291-I293 HydrophobicContact CD2-CG1 4.09Å; F291-I293 HydrophobicContact CE2-CD1 4.09Å; F291-I293 HydrophobicContact CE2-CG1 4.09Å |
| 292 | E | 95.1 | Very high | 94.9 | Very high | 108 Ų | 108 | 57.5 Ų | 57.5 | 51% | 0.505 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 154.5 | 171 | -43.8 | 169.9 | 137.9 | 0 | 0 | 109.3 | V264 N265 H294 | V264-E292 WeakPolarHBondContact CA-O 3.31Å; N265-E292 PolarHBondContact N-O 3.47Å; N265-E292 PolarHBondContact ND2-OE2 3.31Å; N265-E292 PolarHBondContact O-N 3.02Å; N265-E292 WeakPolarHBondContact OD1-CB 3.36Å; N265-E292 PolarHBondContact OD1-O 3.42Å; N265-E292 VanDerWaalsContact OD1-O 3.11Å; E292-H294 WeakPolarHBondContact CB-NE2 2.96Å; E292-H294 IonicContact OE2-CE1 3.5Å; E292-H294 IonicContact OE2-NE2 3.12Å; E292-H294 PolarHBondContact OE2-NE2 2.79Å; E292-H294 VanDerWaalsContact OE2-NE2 3.12Å |
| 293 | I | 95.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126 | 177.3 | -52.9 | -177.2 | 0 | 0 | 0 | 107.7 | V16 I18 I262 I263 V264 F291 | V16-I293 HydrophobicContact CG1-CD1 3.76Å; I18-I293 HydrophobicContact CD1-CD1 4.07Å; I262-I293 HydrophobicContact CD1-CG2 4.38Å; I263-I293 CarbonylContact O-C 3.51Å; I263-I293 WeakPolarHBondContact O-CA 3.37Å; V264-I293 HydrophobicContact CG2-CG1 4.28Å; F291-I293 HydrophobicContact CD2-CG1 4.09Å; F291-I293 HydrophobicContact CE2-CD1 4.09Å; F291-I293 HydrophobicContact CE2-CG1 4.09Å |
| 294 | H | 94.8 | Very high | 95.2 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.6 | 177.9 | -52.7 | -75.7 | 0 | 0 | 0 | 109.4 | I263 N265 E292 E298 V299 R302 | I263-H294 PolarHBondContact N-O 3.25Å; I263-H294 PolarHBondContact O-N 2.95Å; N265-H294 PolarHBondContact OD1-CD2 3.31Å; N265-H294 PolarHBondContact OD1-NE2 3.38Å; E292-H294 WeakPolarHBondContact CB-NE2 2.96Å; E292-H294 IonicContact OE2-CE1 3.5Å; E292-H294 IonicContact OE2-NE2 3.12Å; E292-H294 PolarHBondContact OE2-NE2 2.79Å; E292-H294 VanDerWaalsContact OE2-NE2 3.12Å; H294-E298 HydrophobicContact CB-CG 4.4Å; H294-V299 HydrophobicContact CB-CG2 4.15Å; H294-R302 PolarHBondContact CE1-NH1 2.87Å; H294-R302 PolarHBondContact CE1-NH2 3.15Å; H294-R302 PolarHBondContact ND1-NH1 2.76Å; H294-R302 PolarHBondContact ND1-NH2 2.87Å |
| 295 | D | 95.5 | Very high | 95.3 | Very high | 86 Ų | 86 | 53 Ų | 53 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 157.9 | 172.3 | -160.9 | 10.6 | 0 | 0 | 0 | 110.6 | I297 E298 V299 | D295-I297 HydrophobicContact CB-CG2 4.14Å; D295-I297 PolarHBondContact O-N 3.28Å; D295-E298 WeakPolarHBondContact O-CB 3.31Å; D295-E298 PolarHBondContact O-N 3.23Å; D295-V299 PolarHBondContact O-N 2.66Å; D295-V299 VanDerWaalsContact O-N 3.1Å |
| 296 | D | 96.1 | Very high | 95.4 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.9 | -38.3 | -178.7 | 58.4 | 16.4 | 0 | 0 | 0 | 112.3 | L259 P260 F261 E298 V299 L300 | L259-D296 HydrophobicContact CD2-CB 4.3Å; L259-D296 HydrophobicContact CG-CB 4.16Å; L259-D296 WeakPolarHBondContact CG-OD2 3.35Å; P260-D296 VanDerWaalsContact CA-OD2 3.26Å; P260-D296 WeakPolarHBondContact CA-OD2 3.46Å; F261-D296 HydrophobicContact CD1-CB 3.95Å; F261-D296 HydrophobicContact CD2-CB 4.08Å; F261-D296 HydrophobicContact CE1-CB 3.8Å; F261-D296 HydrophobicContact CE2-CB 3.9Å; F261-D296 HydrophobicContact CG-CB 4.09Å; F261-D296 HydrophobicContact CZ-CB 3.76Å; F261-D296 PolarHBondContact N-OD2 3.14Å; F261-D296 WeakPolarHBondContact O-CB 3.45Å; F261-D296 PolarHBondContact O-N 3.23Å; D296-E298 VanDerWaalsContact C-N 3.32Å; D296-E298 PolarHBondContact O-N 3.03Å; D296-V299 WeakPolarHBondContact O-CB 3.49Å; D296-V299 PolarHBondContact O-N 2.66Å; D296-L300 WeakPolarHBondContact O-CD1 3.43Å; D296-L300 PolarHBondContact O-N 2.62Å |
| 297 | I | 95.1 | Very high | 95.4 | Very high | 19 Ų | 19 | 48 Ų | 48 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 178.4 | -176.7 | 58.1 | 0 | 0 | 0 | 112 | Q229 A232 D295 V299 L300 K301 | Q229-I297 HydrophobicContact CB-CD1 4.12Å; Q229-I297 HydrophobicContact CG-CB 4.47Å; Q229-I297 HydrophobicContact CG-CD1 3.55Å; Q229-I297 HydrophobicContact CG-CG1 3.6Å; A232-I297 HydrophobicContact CB-CD1 3.98Å; D295-I297 HydrophobicContact CB-CG2 4.14Å; D295-I297 PolarHBondContact O-N 3.28Å; I297-V299 VanDerWaalsContact C-N 3.34Å; I297-L300 WeakPolarHBondContact O-CB 3.28Å; I297-L300 PolarHBondContact O-N 3.11Å; I297-K301 WeakPolarHBondContact O-CG 3.49Å; I297-K301 PolarHBondContact O-N 2.98Å |
| 298 | E | 95.6 | Very high | 95.3 | Very high | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 177.2 | 177.4 | 57.3 | -161.4 | 0 | 0 | 110.5 | H294 D295 D296 L300 K301 R302 | H294-E298 HydrophobicContact CB-CG 4.4Å; D295-E298 WeakPolarHBondContact O-CB 3.31Å; D295-E298 PolarHBondContact O-N 3.23Å; D296-E298 VanDerWaalsContact C-N 3.32Å; D296-E298 PolarHBondContact O-N 3.03Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.47Å; E298-K301 PolarHBondContact O-N 3.31Å; E298-R302 WeakPolarHBondContact O-CG 3.34Å; E298-R302 PolarHBondContact O-N 3.22Å; E298-R302 IonicContact OE1-CZ 3.33Å; E298-R302 IonicContact OE1-NE 2.83Å; E298-R302 PolarHBondContact OE1-NE 3.34Å; E298-R302 IonicContact OE1-NH2 2.95Å; E298-R302 PolarHBondContact OE1-NH2 2.9Å |
| 299 | V | 97.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 172.3 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | F261 I263 H294 D295 D296 I297 K301 R302 M303 | F261-V299 HydrophobicContact CE2-CB 4.42Å; F261-V299 HydrophobicContact CE2-CG2 4.25Å; F261-V299 HydrophobicContact CZ-CG1 4.41Å; I263-V299 HydrophobicContact CB-CG2 4.45Å; I263-V299 HydrophobicContact CG1-CG2 3.96Å; H294-V299 HydrophobicContact CB-CG2 4.15Å; D295-V299 PolarHBondContact O-N 2.66Å; D295-V299 VanDerWaalsContact O-N 3.1Å; D296-V299 WeakPolarHBondContact O-CB 3.49Å; D296-V299 PolarHBondContact O-N 2.66Å; I297-V299 VanDerWaalsContact C-N 3.34Å; V299-K301 PolarHBondContact O-N 2.64Å; V299-R302 PolarHBondContact O-N 3.31Å; V299-M303 HydrophobicContact CG1-CG 4.48Å; V299-M303 HydrophobicContact CG1-SD 3.98Å; V299-M303 VanDerWaalsContact O-CG 3.26Å; V299-M303 WeakPolarHBondContact O-CG 3.37Å; V299-M303 PolarHBondContact O-N 3.21Å |
| 300 | L | 97.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 177.5 | -95.2 | 65.2 | 0 | 0 | 0 | 112.3 | A232 L236 L259 D296 I297 E298 M303 G304 M305 | A232-L300 HydrophobicContact CB-CB 4.16Å; A232-L300 HydrophobicContact CB-CD2 4.15Å; L236-L300 HydrophobicContact CB-CD2 4.42Å; L236-L300 HydrophobicContact CD2-CD1 4.08Å; L236-L300 HydrophobicContact CD2-CD2 3.88Å; L236-L300 HydrophobicContact CD2-CG 4.11Å; L259-L300 HydrophobicContact CD2-CD1 4.45Å; L259-L300 HydrophobicContact CD2-CD2 4.23Å; D296-L300 WeakPolarHBondContact O-CD1 3.43Å; D296-L300 PolarHBondContact O-N 2.62Å; I297-L300 WeakPolarHBondContact O-CB 3.28Å; I297-L300 PolarHBondContact O-N 3.11Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.47Å; L300-M303 PolarHBondContact O-N 3.42Å; L300-G304 PolarHBondContact O-N 3.06Å; L300-M305 HydrophobicContact CB-CB 4.26Å; L300-M305 HydrophobicContact CB-CG 4.39Å; L300-M305 HydrophobicContact CG-CB 4.48Å; L300-M305 HydrophobicContact CG-CG 4.28Å; L300-M305 VanDerWaalsContact O-CB 3.23Å; L300-M305 WeakPolarHBondContact O-CB 3.49Å; L300-M305 WeakPolarHBondContact O-CG 3.15Å; L300-M305 PolarHBondContact O-N 3.49Å |
| 301 | K | 96 | Very high | 95 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 173.9 | -73 | 170.6 | -175.4 | 171.7 | 0 | 110.9 | E225 I297 E298 V299 M303 G304 A306 E310 | E225-K301 WeakPolarHBondContact OE1-CE 3.38Å; E225-K301 IonicContact OE1-NZ 3.75Å; E225-K301 PolarHBondContact OE1-NZ 3.45Å; E225-K301 IonicContact OE2-NZ 2.66Å; E225-K301 PolarHBondContact OE2-NZ 3.22Å; I297-K301 WeakPolarHBondContact O-CG 3.49Å; I297-K301 PolarHBondContact O-N 2.98Å; E298-K301 PolarHBondContact O-N 3.31Å; V299-K301 PolarHBondContact O-N 2.64Å; K301-M303 PolarHBondContact O-N 3.17Å; K301-G304 WeakPolarHBondContact O-CA 3.23Å; K301-G304 PolarHBondContact O-N 2.62Å; K301-A306 HydrophobicContact CG-CB 3.98Å; K301-E310 HydrophobicContact CB-CG 4.47Å; K301-E310 HydrophobicContact CD-CB 4.37Å |
| 302 | R | 95.6 | Very high | 94.7 | Very high | 151 Ų | 151 | 44.2 Ų | 44.2 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.3 | -27.7 | 177.4 | -67.9 | -177.2 | -168.6 | 174.6 | 12.6 | 113.9 | H294 E298 V299 G304 | H294-R302 PolarHBondContact CE1-NH1 2.87Å; H294-R302 PolarHBondContact CE1-NH2 3.15Å; H294-R302 PolarHBondContact ND1-NH1 2.76Å; H294-R302 PolarHBondContact ND1-NH2 2.87Å; E298-R302 WeakPolarHBondContact O-CG 3.34Å; E298-R302 PolarHBondContact O-N 3.22Å; E298-R302 IonicContact OE1-CZ 3.33Å; E298-R302 IonicContact OE1-NE 2.83Å; E298-R302 PolarHBondContact OE1-NE 3.34Å; E298-R302 IonicContact OE1-NH2 2.95Å; E298-R302 PolarHBondContact OE1-NH2 2.9Å; V299-R302 PolarHBondContact O-N 3.31Å; R302-G304 PolarHBondContact O-N 3.34Å |
| 303 | M | 96.5 | Very high | 94.4 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 42% | 0.419 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -1.7 | 171.2 | -72 | 173.6 | 63.2 | 0 | 0 | 113.3 | V299 L300 K301 M305 | V299-M303 HydrophobicContact CG1-CG 4.48Å; V299-M303 HydrophobicContact CG1-SD 3.98Å; V299-M303 VanDerWaalsContact O-CG 3.26Å; V299-M303 WeakPolarHBondContact O-CG 3.37Å; V299-M303 PolarHBondContact O-N 3.21Å; L300-M303 PolarHBondContact O-N 3.42Å; K301-M303 PolarHBondContact O-N 3.17Å; M303-M305 VanDerWaalsContact C-N 3.3Å; M303-M305 HydrophobicContact CB-CE 4.02Å; M303-M305 HydrophobicContact CB-CG 4.05Å; M303-M305 HydrophobicContact CE-CE 4.23Å; M303-M305 WeakPolarHBondContact O-CE 3.35Å |
| 304 | G | 95.7 | Very high | 94.1 | Very high | 38 Ų | 38 | 42 Ų | 42 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 11.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L300 K301 R302 A306 C307 | L300-G304 PolarHBondContact O-N 3.06Å; K301-G304 WeakPolarHBondContact O-CA 3.23Å; K301-G304 PolarHBondContact O-N 2.62Å; R302-G304 PolarHBondContact O-N 3.34Å; G304-A306 PolarHBondContact O-N 3.5Å; G304-C307 PolarHBondContact O-N 3.4Å |
| 305 | M | 96.8 | Very high | 94 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -25.3 | -177.5 | -59.8 | -65.2 | 126.5 | 0 | 0 | 111.9 | A232 N235 L236 R239 L300 M303 C307 | A232-M305 WeakPolarHBondContact CA-O 3.49Å; A232-M305 HydrophobicContact CB-CB 3.99Å; N235-M305 WeakPolarHBondContact CB-O 3.31Å; N235-M305 PolarHBondContact ND2-O 2.95Å; L236-M305 HydrophobicContact CB-CG 4.42Å; L236-M305 HydrophobicContact CB-SD 4.18Å; L236-M305 HydrophobicContact CD1-SD 4.3Å; R239-M305 VanDerWaalsContact NH1-CE 3.26Å; L300-M305 HydrophobicContact CB-CB 4.26Å; L300-M305 HydrophobicContact CB-CG 4.39Å; L300-M305 HydrophobicContact CG-CB 4.48Å; L300-M305 HydrophobicContact CG-CG 4.28Å; L300-M305 VanDerWaalsContact O-CB 3.23Å; L300-M305 WeakPolarHBondContact O-CB 3.49Å; L300-M305 WeakPolarHBondContact O-CG 3.15Å; L300-M305 PolarHBondContact O-N 3.49Å; M303-M305 VanDerWaalsContact C-N 3.3Å; M303-M305 HydrophobicContact CB-CE 4.02Å; M303-M305 HydrophobicContact CB-CG 4.05Å; M303-M305 HydrophobicContact CE-CE 4.23Å; M303-M305 WeakPolarHBondContact O-CE 3.35Å; M305-C307 PolarHBondContact O-N 3.19Å |
| 306 | A | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 9.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L228 A232 K301 G304 G308 L309 E310 | L228-A306 HydrophobicContact CD2-CB 4.21Å; A232-A306 HydrophobicContact CB-CB 4.34Å; K301-A306 HydrophobicContact CG-CB 3.98Å; G304-A306 PolarHBondContact O-N 3.5Å; A306-G308 PolarHBondContact O-N 3.48Å; A306-L309 WeakPolarHBondContact O-CB 3.25Å; A306-L309 WeakPolarHBondContact O-CG 3.49Å; A306-L309 PolarHBondContact O-N 3.33Å; A306-L309 VanDerWaalsContact O-N 3.17Å; A306-E310 VanDerWaalsContact CB-OE2 3.24Å; A306-E310 WeakPolarHBondContact CB-OE2 3.38Å |
| 307 | C | 94.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 25.3 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 114 | G304 M305 L309 C314 D318 A322 | G304-C307 PolarHBondContact O-N 3.4Å; M305-C307 PolarHBondContact O-N 3.19Å; C307-L309 PolarHBondContact O-N 3.48Å; C307-C314 PolarHBondContact O-SG 3.36Å; C307-D318 HydrophobicContact CB-CB 3.94Å; C307-A322 HydrophobicContact CB-CB 4.16Å |
| 308 | G | 92.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 12 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A306 E310 S311 G312 S313 | A306-G308 PolarHBondContact O-N 3.48Å; G308-E310 VanDerWaalsContact C-N 3.27Å; G308-E310 WeakPolarHBondContact CA-OE2 3.43Å; G308-E310 PolarHBondContact O-N 3.38Å; G308-S311 PolarHBondContact O-N 2.87Å; G308-S311 PolarHBondContact O-OG 3.47Å; G308-G312 PolarHBondContact O-N 3.02Å; G308-S313 PolarHBondContact O-N 3.25Å |
| 309 | L | 93.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -69.1 | -26.3 | -178.9 | -72.9 | 173 | 0 | 0 | 0 | 112.9 | L228 I231 A306 C307 S311 G312 C314 L319 A322 V334 M337 A338 | L228-L309 HydrophobicContact CD2-CB 3.54Å; I231-L309 HydrophobicContact CD1-CD1 3.46Å; I231-L309 VanDerWaalsContact CD1-CD1 3.46Å; A306-L309 WeakPolarHBondContact O-CB 3.25Å; A306-L309 WeakPolarHBondContact O-CG 3.49Å; A306-L309 PolarHBondContact O-N 3.33Å; A306-L309 VanDerWaalsContact O-N 3.17Å; C307-L309 PolarHBondContact O-N 3.48Å; L309-S311 PolarHBondContact O-N 3.1Å; L309-G312 PolarHBondContact O-N 2.95Å; L309-C314 HydrophobicContact CD2-CB 4.07Å; L309-L319 HydrophobicContact CD2-CD1 4.46Å; L309-A322 HydrophobicContact CD1-CB 3.71Å; L309-V334 HydrophobicContact CD1-CG1 3.95Å; L309-V334 HydrophobicContact CD2-CG1 4.27Å; L309-M337 HydrophobicContact CB-CE 4.46Å; L309-M337 HydrophobicContact CD2-CB 4.43Å; L309-A338 HydrophobicContact CD2-CB 3.78Å |
| 310 | E | 91.3 | Very high | 93.7 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -61.8 | -25.9 | 177.7 | 66.1 | -78 | 179.9 | 0 | 0 | 113.1 | L228 K301 A306 G308 | L228-E310 HydrophobicContact CD1-CB 3.98Å; L228-E310 HydrophobicContact CD2-CB 4.44Å; K301-E310 HydrophobicContact CB-CG 4.47Å; K301-E310 HydrophobicContact CD-CB 4.37Å; A306-E310 VanDerWaalsContact CB-OE2 3.24Å; A306-E310 WeakPolarHBondContact CB-OE2 3.38Å; G308-E310 VanDerWaalsContact C-N 3.27Å; G308-E310 WeakPolarHBondContact CA-OE2 3.43Å; G308-E310 PolarHBondContact O-N 3.38Å |
| 311 | S | 89.7 | Confident | 93.6 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -117.5 | 5.2 | -179.4 | 62 | 0 | 0 | 0 | 0 | 113.2 | G308 L309 S313 | G308-S311 PolarHBondContact O-N 2.87Å; G308-S311 PolarHBondContact O-OG 3.47Å; L309-S311 PolarHBondContact O-N 3.1Å; S311-S313 PolarHBondContact O-N 3.37Å; S311-S313 WeakPolarHBondContact OG-CB 3.33Å; S311-S313 PolarHBondContact OG-OG 3.36Å |
| 312 | G | 89.1 | Confident | 93.7 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 11.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G308 L309 C314 | G308-G312 PolarHBondContact O-N 3.02Å; L309-G312 PolarHBondContact O-N 2.95Å; G312-C314 VanDerWaalsContact C-N 3.31Å; G312-C314 PolarHBondContact O-N 3.47Å |
| 313 | S | 88.7 | Confident | 93.7 | Very high | 89 Ų | 89 | 56.7 Ų | 56.7 | 62% | 0.622 | 33% | 0.327 | S | S | * | . | trans | -94.3 | 52.8 | -176.7 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | G308 S311 | G308-S313 PolarHBondContact O-N 3.25Å; S311-S313 PolarHBondContact O-N 3.37Å; S311-S313 WeakPolarHBondContact OG-CB 3.33Å; S311-S313 PolarHBondContact OG-OG 3.36Å | ||
| 314 | C | 88.9 | Confident | 93.7 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | trans | -96.5 | 124 | -172.1 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | C307 L309 G312 L319 A338 | C307-C314 PolarHBondContact O-SG 3.36Å; L309-C314 HydrophobicContact CD2-CB 4.07Å; G312-C314 VanDerWaalsContact C-N 3.31Å; G312-C314 PolarHBondContact O-N 3.47Å; C314-L319 VanDerWaalsContact SG-CA 3.53Å; C314-L319 PolarHBondContact SG-N 3.39Å; C314-A338 HydrophobicContact CB-CB 4.15Å | ||
| 315 | S | 92.6 | Very high | 93.8 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | trans | -70.5 | 164.7 | 172.9 | 81.3 | 0 | 0 | 0 | 0 | 111.6 | E317 D318 L319 | S315-E317 VanDerWaalsContact C-N 3.26Å; S315-E317 PolarHBondContact O-N 2.99Å; S315-D318 WeakPolarHBondContact CB-OD2 3.23Å; S315-D318 PolarHBondContact O-N 3.37Å; S315-D318 WeakPolarHBondContact OG-CB 3.33Å; S315-D318 PolarHBondContact OG-N 2.83Å; S315-D318 VanDerWaalsContact OG-N 3.12Å; S315-D318 PolarHBondContact OG-OD2 2.95Å; S315-L319 WeakPolarHBondContact O-CB 3.28Å; S315-L319 PolarHBondContact O-N 2.95Å | ||
| 316 | A | 93 | Very high | 93.8 | Very high | 88 Ų | 88 | 54.9 Ų | 54.9 | 73% | 0.727 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.8 | -33.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K320 | A316-K320 PolarHBondContact O-N 3.24Å |
| 317 | E | 94.4 | Very high | 93.9 | Very high | 163 Ų | 163 | 58.2 Ų | 58.2 | 76% | 0.762 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.3 | -44 | 176.9 | -62.9 | -174.8 | 171.1 | 0 | 0 | 111.1 | S315 L319 K320 M321 | S315-E317 VanDerWaalsContact C-N 3.26Å; S315-E317 PolarHBondContact O-N 2.99Å; E317-L319 VanDerWaalsContact C-N 3.32Å; E317-L319 PolarHBondContact O-N 2.92Å; E317-K320 WeakPolarHBondContact O-CB 3.41Å; E317-K320 PolarHBondContact O-N 2.66Å; E317-M321 PolarHBondContact O-N 2.79Å |
| 318 | D | 95.2 | Very high | 94 | Very high | 65 Ų | 65 | 66.4 Ų | 66.4 | 35% | 0.348 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.7 | -71 | -43.1 | 0 | 0 | 0 | 111.6 | C307 S315 K320 M321 A322 | C307-D318 HydrophobicContact CB-CB 3.94Å; S315-D318 WeakPolarHBondContact CB-OD2 3.23Å; S315-D318 PolarHBondContact O-N 3.37Å; S315-D318 WeakPolarHBondContact OG-CB 3.33Å; S315-D318 PolarHBondContact OG-N 2.83Å; S315-D318 VanDerWaalsContact OG-N 3.12Å; S315-D318 PolarHBondContact OG-OD2 2.95Å; D318-K320 VanDerWaalsContact C-N 3.33Å; D318-K320 PolarHBondContact O-N 2.99Å; D318-M321 WeakPolarHBondContact O-CB 3.37Å; D318-M321 PolarHBondContact O-N 2.94Å; D318-A322 VanDerWaalsContact O-CB 3.3Å; D318-A322 WeakPolarHBondContact O-CB 3.27Å; D318-A322 PolarHBondContact O-N 3.32Å |
| 319 | L | 95.1 | Very high | 94.2 | Very high | 34 Ų | 34 | 69.7 Ų | 69.7 | 18% | 0.178 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66 | -39.1 | 177.6 | -176.2 | 58.8 | 0 | 0 | 0 | 111.4 | L309 C314 S315 E317 R323 V334 A338 | L309-L319 HydrophobicContact CD2-CD1 4.46Å; C314-L319 VanDerWaalsContact SG-CA 3.53Å; C314-L319 PolarHBondContact SG-N 3.39Å; S315-L319 WeakPolarHBondContact O-CB 3.28Å; S315-L319 PolarHBondContact O-N 2.95Å; E317-L319 VanDerWaalsContact C-N 3.32Å; E317-L319 PolarHBondContact O-N 2.92Å; L319-R323 WeakPolarHBondContact O-CB 2.99Å; L319-R323 WeakPolarHBondContact O-CG 3.4Å; L319-R323 PolarHBondContact O-N 3.46Å; L319-V334 HydrophobicContact CD1-CG1 4.01Å; L319-A338 HydrophobicContact CD1-CB 3.63Å; L319-A338 HydrophobicContact CD2-CB 4.35Å |
| 320 | K | 96 | Very high | 94.3 | Very high | 167 Ų | 167 | 71.7 Ų | 71.7 | 73% | 0.726 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 175 | -175 | -176.9 | 177.7 | -174.9 | 0 | 110.9 | A316 E317 D318 S324 | A316-K320 PolarHBondContact O-N 3.24Å; E317-K320 WeakPolarHBondContact O-CB 3.41Å; E317-K320 PolarHBondContact O-N 2.66Å; D318-K320 VanDerWaalsContact C-N 3.33Å; D318-K320 PolarHBondContact O-N 2.99Å; K320-S324 PolarHBondContact O-N 2.85Å |
| 321 | M | 95.7 | Very high | 94.5 | Very high | 75 Ų | 75 | 71.2 Ų | 71.2 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -53.8 | 174.6 | 179.8 | 62.7 | 86 | 0 | 0 | 110.6 | E317 D318 R323 S324 L325 | E317-M321 PolarHBondContact O-N 2.79Å; D318-M321 WeakPolarHBondContact O-CB 3.37Å; D318-M321 PolarHBondContact O-N 2.94Å; M321-R323 VanDerWaalsContact C-N 3.34Å; M321-R323 PolarHBondContact O-N 3.47Å; M321-S324 WeakPolarHBondContact O-CA 3.17Å; M321-S324 WeakPolarHBondContact O-CB 3.42Å; M321-S324 PolarHBondContact O-N 3.11Å; M321-S324 PolarHBondContact O-OG 3.4Å; M321-L325 HydrophobicContact CG-CD1 4.1Å; M321-L325 WeakPolarHBondContact O-CG 3.23Å; M321-L325 PolarHBondContact O-N 3Å; M321-L325 HydrophobicContact SD-CD1 4.38Å; M321-L325 HydrophobicContact SD-CG 4.45Å |
| 322 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -53.9 | -46.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | I231 C307 L309 D318 S324 L325 V334 | I231-A322 HydrophobicContact CD1-CB 4.06Å; I231-A322 HydrophobicContact CG2-CB 4.41Å; C307-A322 HydrophobicContact CB-CB 4.16Å; L309-A322 HydrophobicContact CD1-CB 3.71Å; D318-A322 VanDerWaalsContact O-CB 3.3Å; D318-A322 WeakPolarHBondContact O-CB 3.27Å; D318-A322 PolarHBondContact O-N 3.32Å; A322-S324 VanDerWaalsContact C-N 3.28Å; A322-S324 PolarHBondContact O-N 3.04Å; A322-L325 PolarHBondContact O-N 3.3Å; A322-L325 VanDerWaalsContact O-N 3.14Å; A322-V334 HydrophobicContact CB-CG1 3.95Å |
| 323 | R | 96.6 | Very high | 95 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 175.8 | -75.1 | 176.2 | 176.6 | 172.4 | 0.5 | 112.5 | L319 M321 L325 V326 E331 V334 T335 | L319-R323 WeakPolarHBondContact O-CB 2.99Å; L319-R323 WeakPolarHBondContact O-CG 3.4Å; L319-R323 PolarHBondContact O-N 3.46Å; M321-R323 VanDerWaalsContact C-N 3.34Å; M321-R323 PolarHBondContact O-N 3.47Å; R323-L325 PolarHBondContact O-N 3.33Å; R323-V326 WeakPolarHBondContact O-CG2 3.1Å; R323-V326 PolarHBondContact O-N 3.43Å; R323-E331 HydrophobicContact CB-CG 4.37Å; R323-E331 HydrophobicContact CG-CG 4.48Å; R323-V334 HydrophobicContact CG-CG1 4.07Å; R323-T335 PolarHBondContact NE-OG1 3.46Å; R323-T335 VanDerWaalsContact NH2-CG2 3.27Å; R323-T335 PolarHBondContact NH2-OG1 3.24Å |
| 324 | S | 96.7 | Very high | 95.3 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -70 | -20.1 | 178.3 | 80.9 | 0 | 0 | 0 | 0 | 113.9 | K320 M321 A322 | K320-S324 PolarHBondContact O-N 2.85Å; M321-S324 WeakPolarHBondContact O-CA 3.17Å; M321-S324 WeakPolarHBondContact O-CB 3.42Å; M321-S324 PolarHBondContact O-N 3.11Å; M321-S324 PolarHBondContact O-OG 3.4Å; A322-S324 VanDerWaalsContact C-N 3.28Å; A322-S324 PolarHBondContact O-N 3.04Å |
| 325 | L | 96.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -88.2 | -14 | -178.1 | -63.3 | 174.7 | 0 | 0 | 0 | 113.1 | I231 K234 N235 M321 A322 R323 | I231-L325 HydrophobicContact CG1-CB 4.4Å; I231-L325 HydrophobicContact CG2-CD1 4.03Å; K234-L325 HydrophobicContact CB-CD2 3.96Å; K234-L325 HydrophobicContact CD-CB 4.38Å; K234-L325 WeakPolarHBondContact CD-O 3.07Å; K234-L325 PolarHBondContact NZ-O 2.8Å; N235-L325 HydrophobicContact CB-CD1 3.82Å; M321-L325 HydrophobicContact CG-CD1 4.1Å; M321-L325 WeakPolarHBondContact O-CG 3.23Å; M321-L325 PolarHBondContact O-N 3Å; M321-L325 HydrophobicContact SD-CD1 4.38Å; M321-L325 HydrophobicContact SD-CG 4.45Å; A322-L325 PolarHBondContact O-N 3.3Å; A322-L325 VanDerWaalsContact O-N 3.14Å; R323-L325 PolarHBondContact O-N 3.33Å |
| 326 | V | 97 | Very high | 95.5 | Very high | 12 Ų | 12 | 67.8 Ų | 67.8 | 7% | 0.073 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -107 | 155.3 | 179.4 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | I227 I231 R323 L330 E331 V334 | I227-V326 HydrophobicContact CG2-CG1 4.33Å; I231-V326 HydrophobicContact CD1-CG1 3.88Å; I231-V326 HydrophobicContact CG1-CG1 3.63Å; R323-V326 WeakPolarHBondContact O-CG2 3.1Å; R323-V326 PolarHBondContact O-N 3.43Å; V326-L330 HydrophobicContact CB-CB 4.29Å; V326-L330 HydrophobicContact CG2-CB 4.44Å; V326-E331 HydrophobicContact CG2-CG 4.17Å; V326-V334 HydrophobicContact CB-CG2 4.5Å; V326-V334 HydrophobicContact CG1-CG2 4.05Å; V326-V334 HydrophobicContact CG2-CG2 3.8Å |
| 327 | P | 97.5 | Very high | 95.5 | Very high | 70 Ų | 70 | 64.1 Ų | 64.1 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | trans | -59.7 | 147.5 | 167.4 | -21.5 | 33.2 | 0 | 0 | 0 | 111.8 | A329 L330 | P327-A329 PolarHBondContact O-N 3.48Å; P327-L330 PolarHBondContact O-N 3.19Å | ||
| 328 | K | 96.1 | Very high | 95.4 | Very high | 177 Ų | 177 | 57.3 Ų | 57.3 | 77% | 0.77 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -50.4 | -35.2 | -178.7 | -65.9 | -173 | 176.3 | -176.7 | 0 | 114.4 | L330 E331 | K328-L330 PolarHBondContact O-N 3.16Å; K328-E331 PolarHBondContact O-N 2.89Å |
| 329 | A | 97.1 | Very high | 95 | Very high | 81 Ų | 81 | 60.5 Ų | 60.5 | 67% | 0.669 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -65 | -20.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | P327 | P327-A329 PolarHBondContact O-N 3.48Š|
| 330 | L | 96.5 | Very high | 94.2 | Very high | 48 Ų | 48 | 61.6 Ų | 61.6 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -101.4 | -7.9 | -178.8 | -57.3 | -175 | 0 | 0 | 0 | 113.5 | I227 V326 P327 K328 P332 Y333 V334 | I227-L330 HydrophobicContact CD1-CB 4.47Å; I227-L330 HydrophobicContact CG1-CD1 4.28Å; V326-L330 HydrophobicContact CB-CB 4.29Å; V326-L330 HydrophobicContact CG2-CB 4.44Å; P327-L330 PolarHBondContact O-N 3.19Å; K328-L330 PolarHBondContact O-N 3.16Å; L330-P332 VanDerWaalsContact C-N 3.31Å; L330-Y333 HydrophobicContact CD2-CD2 4.23Å; L330-Y333 HydrophobicContact CD2-CE2 4.47Å; L330-Y333 PolarHBondContact O-N 3.43Å; L330-Y333 VanDerWaalsContact O-N 3.09Å; L330-V334 PolarHBondContact O-N 3.11Å |
| 331 | E | 95.4 | Very high | 93 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.1 | -35.9 | 176.8 | -69.3 | 177.9 | -158.4 | 0 | 0 | 114.4 | R323 V326 K328 Y333 V334 T335 | R323-E331 HydrophobicContact CB-CG 4.37Å; R323-E331 HydrophobicContact CG-CG 4.48Å; V326-E331 HydrophobicContact CG2-CG 4.17Å; K328-E331 PolarHBondContact O-N 2.89Å; E331-Y333 VanDerWaalsContact C-N 3.33Å; E331-Y333 PolarHBondContact O-N 3.03Å; E331-V334 PolarHBondContact O-N 2.76Å; E331-T335 PolarHBondContact O-N 2.64Å; E331-T335 VanDerWaalsContact O-N 3.1Å; E331-T335 PolarHBondContact O-OG1 3.05Å |
| 332 | P | 94.6 | Very high | 91.4 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.5 | -25.8 | 36.3 | 0 | 0 | 0 | 112.8 | L330 T335 E336 | L330-P332 VanDerWaalsContact C-N 3.31Å; P332-T335 WeakPolarHBondContact O-CB 3.39Å; P332-T335 PolarHBondContact O-N 2.81Å; P332-E336 PolarHBondContact O-N 3.41Å |
| 333 | Y | 94.6 | Very high | 89.6 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 29% | 0.286 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 179.3 | -64.8 | -81 | 0 | 0 | 0 | 111.9 | L223 I227 L330 E331 T335 E336 M337 F346 | L223-Y333 HydrophobicContact CD2-CD1 3.99Å; L223-Y333 HydrophobicContact CD2-CD2 4.4Å; L223-Y333 HydrophobicContact CD2-CE1 3.81Å; L223-Y333 HydrophobicContact CD2-CE2 4.25Å; L223-Y333 HydrophobicContact CD2-CG 4.27Å; I227-Y333 HydrophobicContact CD1-CG 4.34Å; L330-Y333 HydrophobicContact CD2-CD2 4.23Å; L330-Y333 HydrophobicContact CD2-CE2 4.47Å; L330-Y333 PolarHBondContact O-N 3.43Å; L330-Y333 VanDerWaalsContact O-N 3.09Å; E331-Y333 VanDerWaalsContact C-N 3.33Å; E331-Y333 PolarHBondContact O-N 3.03Å; Y333-T335 PolarHBondContact O-N 3.02Å; Y333-E336 PolarHBondContact O-N 2.6Å; Y333-M337 WeakPolarHBondContact O-CG 3.31Å; Y333-M337 PolarHBondContact O-N 3.44Å; Y333-F346 HydrophobicContact CE1-CZ 4.23Å |
| 334 | V | 95.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 173.6 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | I227 I231 L309 L319 A322 R323 V326 L330 E331 A338 | I227-V334 HydrophobicContact CG2-CG2 3.81Å; I231-V334 HydrophobicContact CD1-CG2 4.09Å; L309-V334 HydrophobicContact CD1-CG1 3.95Å; L309-V334 HydrophobicContact CD2-CG1 4.27Å; L319-V334 HydrophobicContact CD1-CG1 4.01Å; A322-V334 HydrophobicContact CB-CG1 3.95Å; R323-V334 HydrophobicContact CG-CG1 4.07Å; V326-V334 HydrophobicContact CB-CG2 4.5Å; V326-V334 HydrophobicContact CG1-CG2 4.05Å; V326-V334 HydrophobicContact CG2-CG2 3.8Å; L330-V334 PolarHBondContact O-N 3.11Å; E331-V334 PolarHBondContact O-N 2.76Å; V334-A338 PolarHBondContact O-N 3.03Å; V334-A338 VanDerWaalsContact O-N 3.07Å |
| 335 | T | 93.3 | Very high | 85.3 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.5 | -41.1 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 112 | R323 E331 P332 Y333 A338 Q339 | R323-T335 PolarHBondContact NE-OG1 3.46Å; R323-T335 VanDerWaalsContact NH2-CG2 3.27Å; R323-T335 PolarHBondContact NH2-OG1 3.24Å; E331-T335 PolarHBondContact O-N 2.64Å; E331-T335 VanDerWaalsContact O-N 3.1Å; E331-T335 PolarHBondContact O-OG1 3.05Å; P332-T335 WeakPolarHBondContact O-CB 3.39Å; P332-T335 PolarHBondContact O-N 2.81Å; Y333-T335 PolarHBondContact O-N 3.02Å; T335-A338 PolarHBondContact O-N 2.9Å; T335-Q339 WeakPolarHBondContact O-CG 3.42Å; T335-Q339 PolarHBondContact O-N 3.47Å |
| 336 | E | 92.4 | Very high | 83.2 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 174.9 | -168.1 | -176.1 | 168 | 0 | 0 | 111.3 | P332 Y333 A338 Q339 G340 T341 V342 G343 F346 | P332-E336 PolarHBondContact O-N 3.41Å; Y333-E336 PolarHBondContact O-N 2.6Å; E336-A338 PolarHBondContact O-N 3.4Å; E336-Q339 PolarHBondContact O-N 3.3Å; E336-G340 PolarHBondContact O-N 3.49Å; E336-G340 VanDerWaalsContact O-N 3.14Å; E336-T341 PolarHBondContact O-N 2.92Å; E336-V342 HydrophobicContact CG-CG2 3.94Å; E336-V342 VanDerWaalsContact OE1-CA 3.3Å; E336-V342 WeakPolarHBondContact OE1-CA 3.49Å; E336-G343 PolarHBondContact OE1-N 2.81Å; E336-F346 WeakPolarHBondContact OE1-CE2 3.36Å; E336-F346 WeakPolarHBondContact OE2-CE2 3.4Å; E336-F346 WeakPolarHBondContact OE2-CZ 3.46Å |
| 337 | M | 92.7 | Very high | 80.8 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.7 | -68.7 | 164.3 | 71.8 | 0 | 0 | 112.2 | Q224 I227 L228 L309 Y333 Q339 G340 V342 | Q224-M337 HydrophobicContact CB-CE 4.06Å; Q224-M337 HydrophobicContact CB-SD 4.2Å; Q224-M337 HydrophobicContact CG-CE 4.34Å; Q224-M337 HydrophobicContact CG-CG 3.99Å; Q224-M337 HydrophobicContact CG-SD 3.88Å; I227-M337 HydrophobicContact CB-SD 4.34Å; I227-M337 HydrophobicContact CD1-SD 4.49Å; I227-M337 HydrophobicContact CG2-CE 4.26Å; I227-M337 HydrophobicContact CG2-SD 3.95Å; L228-M337 HydrophobicContact CD1-CE 4.24Å; L228-M337 HydrophobicContact CD2-CE 3.42Å; L228-M337 VanDerWaalsContact CD2-CE 3.42Å; L228-M337 HydrophobicContact CG-CE 3.54Å; L309-M337 HydrophobicContact CB-CE 4.46Å; L309-M337 HydrophobicContact CD2-CB 4.43Å; Y333-M337 WeakPolarHBondContact O-CG 3.31Å; Y333-M337 PolarHBondContact O-N 3.44Å; M337-Q339 PolarHBondContact O-N 3.23Å; M337-G340 PolarHBondContact O-N 2.9Å; M337-V342 HydrophobicContact CG-CG2 4.44Å |
| 338 | A | 92.2 | Very high | 77.8 | Confident | 20 Ų | 20 | 65 Ų | 65 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.7 | -24.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L309 C314 L319 V334 T335 E336 | L309-A338 HydrophobicContact CD2-CB 3.78Å; C314-A338 HydrophobicContact CB-CB 4.15Å; L319-A338 HydrophobicContact CD1-CB 3.63Å; L319-A338 HydrophobicContact CD2-CB 4.35Å; V334-A338 PolarHBondContact O-N 3.03Å; V334-A338 VanDerWaalsContact O-N 3.07Å; T335-A338 PolarHBondContact O-N 2.9Å; E336-A338 PolarHBondContact O-N 3.4Å |
| 339 | Q | 86.8 | Confident | 75 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 61% | 0.612 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -93.2 | -11.3 | 179.5 | -68.7 | 174.4 | 7.4 | 0 | 0 | 113.1 | T335 E336 M337 T341 | T335-Q339 WeakPolarHBondContact O-CG 3.42Å; T335-Q339 PolarHBondContact O-N 3.47Å; E336-Q339 PolarHBondContact O-N 3.3Å; M337-Q339 PolarHBondContact O-N 3.23Å; Q339-T341 HydrophobicContact CB-CG2 4.09Å; Q339-T341 PolarHBondContact O-N 2.95Å |
| 340 | G | 78.3 | Confident | 72.1 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 60% | 0.598 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 13.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | E336 M337 V342 | E336-G340 PolarHBondContact O-N 3.49Å; E336-G340 VanDerWaalsContact O-N 3.14Å; M337-G340 PolarHBondContact O-N 2.9Å; G340-V342 PolarHBondContact O-N 3.11Å |
| 341 | T | 70.5 | Confident | 69.1 | Low | 68 Ų | 68 | 64.9 Ų | 64.9 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | trans | -83.2 | 16.8 | -177.7 | 46.3 | 0 | 0 | 0 | 0 | 113.4 | E336 Q339 G343 | E336-T341 PolarHBondContact O-N 2.92Å; Q339-T341 HydrophobicContact CB-CG2 4.09Å; Q339-T341 PolarHBondContact O-N 2.95Å; T341-G343 PolarHBondContact O-N 3.34Å; T341-G343 VanDerWaalsContact O-N 3.16Å | ||
| 342 | V | 63.1 | Low | 66.1 | Low | 54 Ų | 54 | 66.8 Ų | 66.8 | 33% | 0.327 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 114 | -172.8 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | E336 M337 G340 | E336-V342 HydrophobicContact CG-CG2 3.94Å; E336-V342 VanDerWaalsContact OE1-CA 3.3Å; E336-V342 WeakPolarHBondContact OE1-CA 3.49Å; M337-V342 HydrophobicContact CG-CG2 4.44Å; G340-V342 PolarHBondContact O-N 3.11Å |
| 343 | G | 58 | Low | 63 | Low | 38 Ų | 38 | 69.7 Ų | 69.7 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.1 | -6.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E336 T341 | E336-G343 PolarHBondContact OE1-N 2.81Å; T341-G343 PolarHBondContact O-N 3.34Å; T341-G343 VanDerWaalsContact O-N 3.16Å |
| 344 | G | 52.6 | Low | 60.1 | Low | 42 Ų | 42 | 71.4 Ų | 71.4 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -94.8 | -33.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 345 | V | 50 | Low | 57.2 | Low | 84 Ų | 84 | 79.8 Ų | 79.8 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -25.2 | -154.4 | -177.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 346 | F | 53.4 | Low | 54.4 | Low | 100 Ų | 100 | 81.4 Ų | 81.4 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -11.1 | -173 | -47.6 | -75.7 | 0 | 0 | 0 | 114.3 | Q220 Y333 E336 | Q220-F346 VanDerWaalsContact NE2-CD2 3.27Å; Y333-F346 HydrophobicContact CE1-CZ 4.23Å; E336-F346 WeakPolarHBondContact OE1-CE2 3.36Å; E336-F346 WeakPolarHBondContact OE2-CE2 3.4Å; E336-F346 WeakPolarHBondContact OE2-CZ 3.46Å |
| 347 | I | 46.4 | Very low | 51.7 | Low | 87 Ų | 87 | 86.9 Ų | 86.9 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | -14.6 | -179.4 | -61.4 | 171.3 | 0 | 0 | 0 | 111.2 | L213 | L213-I347 HydrophobicContact CD2-CD1 3.65Å; L213-I347 HydrophobicContact CD2-CG1 3.81Å; L213-I347 HydrophobicContact CD2-CG2 4.31Å |
| 348 | T | 35.4 | Very low | 48.8 | Very low | 94 Ų | 94 | 97.4 Ų | 97.4 | 58% | 0.577 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -112.8 | 52.9 | -172.7 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 349 | T | 37.3 | Very low | 46.1 | Very low | 124 Ų | 124 | 106.2 Ų | 106.2 | 76% | 0.761 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -139.4 | 8.3 | 172.2 | 42.9 | 0 | 0 | 0 | 0 | 116 | ||
| 350 | A | 36 | Very low | 43.5 | Very low | 109 Ų | 109 | 105.6 Ų | 105.6 | 90% | 0.901 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -112.1 | 10.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 351 | G | 33.6 | Very low | 41.3 | Very low | 72 Ų | 72 | 107 Ų | 107 | 74% | 0.742 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -147.9 | 5.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 352 | S | 30.4 | Very low | 39.8 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | trans | -116.7 | 68.5 | -177.1 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 353 | T | 29.6 | Very low | 38.4 | Very low | 143 Ų | 143 | 113 Ų | 113 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | trans | -96.6 | 81.3 | 157.4 | 53.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 354 | S | 35.2 | Very low | 37.5 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | -149.9 | 92.3 | 154.1 | 61.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 355 | N | 34.8 | Very low | 36.9 | Very low | 176 Ų | 176 | 122.5 Ų | 122.5 | 94% | 0.941 | 74% | 0.741 | S | S | * | * | trans | -46.6 | 136.8 | 155.8 | -76.3 | -26.9 | 0 | 0 | 0 | 110 | ||||
| 356 | G | 33 | Very low | 36.4 | Very low | 63 Ų | 63 | 126.1 Ų | 126.1 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | 131.7 | 113.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 357 | T | 35.5 | Very low | 35.5 | Very low | 133 Ų | 133 | 125 Ų | 125 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | 80.5 | 94 | 148.6 | 13.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 358 | R | 33.2 | Very low | 35.2 | Very low | 231 Ų | 231 | 125 Ų | 125 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -8.6 | 131 | 133.6 | -70.9 | 173.9 | -179.1 | 159.4 | 0.3 | 114 | ||||
| 359 | F | 33.9 | Very low | 35.6 | Very low | 206 Ų | 206 | 128.6 Ų | 128.6 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | -156.7 | 125.3 | 120.6 | -83.9 | -65.8 | 0 | 0 | 0 | 109.8 | |||||
| 360 | S | 33.6 | Very low | 35.9 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -86.7 | 154.2 | 171.6 | -63 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 361 | A | 32.7 | Very low | 36.2 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 80.3 | 134.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 362 | S | 37.9 | Very low | 36.7 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | 77.8 | 113.8 | 146.2 | 56.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 363 | D | 33.1 | Very low | 37.3 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | 48 | 122.2 | 125.8 | -60.8 | -32.1 | 0 | 0 | 0 | 118.5 | |||||
| 364 | L | 40.5 | Very low | 37.6 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | -163.2 | 135.7 | 126.4 | -96.9 | 160.2 | 0 | 0 | 0 | 109.6 | |||||
| 365 | T | 39.4 | Very low | 37.8 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 63% | 0.632 | 80% | 0.802 | S | S | * | * | trans | -100.7 | 175.2 | -161.1 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 366 | N | 38.8 | Very low | 37.9 | Very low | 161 Ų | 161 | 129 Ų | 129 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 83.2 | 130.7 | 158.7 | -56.5 | -19.7 | 0 | 0 | 0 | 116.5 | ||||
| 367 | G | 34.2 | Very low | 38.3 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | cis | 160.6 | 144.4 | 3.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 368 | A | 41.8 | Very low | 38.4 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | trans | -174.7 | 133.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 369 | D | 42.6 | Very low | 38.6 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 80.6 | 125.8 | 152.3 | -56.1 | -29.6 | 0 | 0 | 0 | 121.6 | ||||
| 370 | G | 44.2 | Very low | 38.9 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 140.5 | 47.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 371 | M | 42.3 | Very low | 39 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | 11 | 114.3 | 143.5 | -156.2 | 139.9 | 159.7 | 0 | 0 | 119.5 | ||||
| 372 | L | 44.9 | Very low | 39.4 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | 154.1 | 117.9 | 123.9 | -80.7 | 164.7 | 0 | 0 | 0 | 115.3 | |||||
| 373 | A | 41.4 | Very low | 39.3 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | trans | 53.3 | 102.2 | 137.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 374 | T | 36.6 | Very low | 39.7 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | 39.6 | 117.6 | 123.5 | 57 | 0 | 0 | 0 | 0 | 121 | |||||
| 375 | S | 38.8 | Very low | 39.8 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | 154.5 | 149.8 | 94.6 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 376 | S | 37.7 | Very low | 40.2 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | -55.5 | 141.8 | -173.6 | 48.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 377 | N | 42 | Very low | 40.3 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | 178.4 | 137.4 | 130.2 | -100.3 | 5.5 | 0 | 0 | 0 | 106.3 | ||||
| 378 | G | 37.2 | Very low | 40.5 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | cis | 125.7 | 120.3 | 48.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 379 | S | 37.8 | Very low | 40.8 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -55.5 | 148.8 | -173 | 62 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 380 | Q | 39.7 | Very low | 40.5 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -169.8 | 140.7 | 132.6 | -105 | 165.9 | 19.7 | 0 | 0 | 113.1 | ||||
| 381 | Y | 36 | Very low | 40.3 | Very low | 226 Ų | 226 | 138.3 Ų | 138.3 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | trans | -50.5 | 145.1 | 167.1 | -91.2 | -113.8 | 0 | 0 | 0 | 112.8 | ||||
| 382 | S | 41.4 | Very low | 40.2 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -163.5 | 131.1 | 143.1 | -84.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 383 | G | 34.1 | Very low | 40.2 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -73.8 | 145.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 384 | S | 42.4 | Very low | 40.2 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -100.7 | 109.1 | 176.2 | 167 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 385 | R | 42.8 | Very low | 40.6 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 125.3 | 165.4 | -174.1 | 176.9 | -174.7 | 164.3 | 0.1 | 107.8 | ||
| 386 | V | 47.5 | Very low | 40.8 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 120.6 | 171.7 | 174.6 | 0 | 0 | 0 | 0 | 107.9 | ||
| 387 | E | 41.9 | Very low | 41.4 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 133.2 | 167.9 | -72.8 | -177.4 | 147.4 | 0 | 0 | 110.1 | ||
| 388 | T | 36.9 | Very low | 41.6 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 137.3 | 168.7 | 6.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 389 | P | 49.1 | Very low | 42.2 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 133.7 | 175 | 18.9 | -9.5 | 0 | 0 | 0 | 111.8 | ||
| 390 | V | 36.4 | Very low | 42.7 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 132.3 | 170.3 | 165 | 0 | 0 | 0 | 0 | 110.8 | ||
| 391 | S | 39.4 | Very low | 43.2 | Very low | 105 Ų | 105 | 150.1 Ų | 150.1 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 125.8 | 166.8 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 392 | Y | 41 | Very low | 43.8 | Very low | 206 Ų | 206 | 146.2 Ų | 146.2 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 127.4 | 171.6 | -171.6 | -96.3 | 0 | 0 | 0 | 109.9 | ||
| 393 | V | 44.9 | Very low | 44.4 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 130.1 | 167.9 | -144.6 | 0 | 0 | 0 | 0 | 106 | ||
| 394 | G | 41.1 | Very low | 45.3 | Very low | 50 Ų | 50 | 151.4 Ų | 151.4 | 52% | 0.515 | 80% | 0.801 | S | S | . | * | trans | -149.4 | 93.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 395 | E | 45.7 | Very low | 46.1 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | 64.6 | 113.4 | 140.8 | -63.9 | 171.7 | 171.5 | 0 | 0 | 119.2 | ||||
| 396 | D | 42.9 | Very low | 46.5 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -60.7 | 137.2 | 161.5 | -58.1 | -62.2 | 0 | 0 | 0 | 110.9 | ||||
| 397 | D | 49 | Very low | 46.9 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -131.8 | 104.9 | 156.3 | -81.4 | -41.6 | 0 | 0 | 0 | 107.3 | ||||
| 398 | E | 46.1 | Very low | 47.6 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -80.7 | 122.4 | 166.8 | -65.7 | 179.8 | 160.1 | 0 | 0 | 108.3 | ||||
| 399 | E | 50.2 | Low | 48.5 | Very low | 194 Ų | 194 | 151 Ų | 151 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -129.1 | 104.3 | 159.5 | -79.3 | -173.1 | 168.4 | 0 | 0 | 108.7 | ||||
| 400 | D | 49.2 | Very low | 49 | Very low | 144 Ų | 144 | 156.6 Ų | 156.6 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -63.9 | 138.2 | 163 | -69.4 | -50.3 | 0 | 0 | 0 | 110.1 | ||||
| 401 | D | 48.9 | Very low | 49.6 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -151.2 | 104.8 | 149.2 | -97.8 | -32.5 | 0 | 0 | 0 | 109.5 | ||||
| 402 | D | 49.8 | Very low | 50.1 | Low | 145 Ų | 145 | 160.1 Ų | 160.1 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | trans | -88.5 | 119.1 | 178.1 | -158 | 5.1 | 0 | 0 | 0 | 107.9 | ||||
| 403 | F | 53 | Low | 50.6 | Low | 185 Ų | 185 | 157.6 Ų | 157.6 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -134.3 | 97.4 | 166 | -88.7 | -80.8 | 0 | 0 | 0 | 109.6 | ||||
| 404 | N | 53.6 | Low | 51 | Low | 131 Ų | 131 | 158.8 Ų | 158.8 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -101.4 | 108.6 | 167.8 | -162.6 | 24.6 | 0 | 0 | 0 | 107.5 | ||||
| 405 | E | 57.9 | Low | 51.6 | Low | 186 Ų | 186 | 165.6 Ų | 165.6 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | trans | -107.4 | 102.1 | 160.9 | -87.8 | -176 | 166.7 | 0 | 0 | 107.6 | ||||
| 406 | N | 52.8 | Low | 52 | Low | 127 Ų | 127 | 164.7 Ų | 164.7 | 68% | 0.679 | 84% | 0.836 | S | S | * | * | trans | -70.4 | 146.1 | 150.1 | -81.4 | -36.3 | 0 | 0 | 0 | 108.2 | ||||
| 407 | D | 55 | Low | 52.6 | Low | 147 Ų | 147 | 165.6 Ų | 165.6 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | trans | 159.9 | 136.5 | 148.4 | -79 | -16.7 | 0 | 0 | 0 | 104.8 | ||||
| 408 | E | 56.4 | Low | 52.9 | Low | 165 Ų | 165 | 165.5 Ų | 165.5 | 77% | 0.771 | 83% | 0.834 | S | S | * | * | cis | -168.5 | 146.2 | 0.1 | -101.6 | 176.3 | 157.4 | 0 | 0 | 103.9 | ||||
| 409 | D | 56.6 | Low | 53.5 | Low | 151 Ų | 151 | 164.7 Ų | 164.7 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | trans | 5.8 | 117.6 | 152.6 | -56.1 | -43.2 | 0 | 0 | 0 | 120.7 | ||||
| 410 | D | 58.2 | Low | 53.8 | Low | 244 Ų | 244 | 162 Ų | 162 | 100% | 1.305 | 83% | 0.829 | S | S | * | * | -174.5 | 0 | 115 | -111.8 | -16.2 | 0 | 0 | 0 | 112 |
Retrieved 410 of 410 residues in 1201.1 ms
(Link to these results)