| 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 | 37.2 | Very low | 37.3 | Very low | 238 Ų | 238 | 165 Ų | 165 | 100% | 1.172 | 82% | 0.821 | S | S | * | * | 0 | 138.1 | 0 | -72.7 | 177.4 | 164.9 | 0 | 0 | 108.1 | |||||
| 2 | P | 36.9 | Very low | 37.4 | Very low | 126 Ų | 126 | 169 Ų | 169 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -75.7 | 145.3 | -179.9 | 31.4 | -34.1 | 0 | 0 | 0 | 111.5 | ||||
| 3 | Q | 36 | Very low | 37.2 | Very low | 196 Ų | 196 | 169.2 Ų | 169.2 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -72.7 | 155.2 | 169 | -68.9 | 169.2 | -39.5 | 0 | 0 | 110.1 | ||||
| 4 | K | 36.3 | Very low | 37.5 | Very low | 197 Ų | 197 | 163.8 Ų | 163.8 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -110.8 | 122 | 168.6 | -71.8 | -173.3 | 176.3 | -176.3 | 0 | 108.8 | ||||
| 5 | E | 33.9 | Very low | 37.3 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -72 | 136.9 | 173.3 | -62.1 | 176 | 117.4 | 0 | 0 | 110.2 | ||||
| 6 | Y | 38.8 | Very low | 37.7 | Very low | 230 Ų | 230 | 151.4 Ų | 151.4 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -91.8 | 122.6 | 163.7 | -86 | -97.3 | 0 | 0 | 0 | 108.2 | ||||
| 7 | H | 35.7 | Very low | 38 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | -130.1 | 104.2 | 178.9 | -127 | 89.5 | 0 | 0 | 0 | 112.3 | ||||
| 8 | N | 35 | Very low | 38.2 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | 32.3 | 87.1 | 154.3 | -67.4 | -59.4 | 0 | 0 | 0 | 118.7 | A10 | N8-A10 VanDerWaalsContact C-N 3.27Å; N8-A10 PolarHBondContact O-N 3.19Å | ||
| 9 | Q | 36.3 | Very low | 38.2 | Very low | 199 Ų | 199 | 142.7 Ų | 142.7 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 61.4 | 162.8 | -169.3 | 163.7 | -14.7 | 0 | 0 | 111.1 | ||
| 10 | A | 41.8 | Very low | 38.3 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | -8.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N8 | N8-A10 VanDerWaalsContact C-N 3.27Å; N8-A10 PolarHBondContact O-N 3.19Å |
| 11 | T | 42.5 | Very low | 38.7 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -97.5 | -11.6 | -164.8 | -21.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 12 | W | 38.1 | Very low | 39.1 | Very low | 213 Ų | 213 | 138.7 Ų | 138.7 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -85.7 | -31.8 | -167.1 | -76.1 | 94.5 | 0 | 0 | 0 | 115 | ||
| 13 | E | 35.4 | Very low | 39.7 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -79 | -39.9 | -175.6 | -62.4 | -169.5 | 136.7 | 0 | 0 | 112.7 | G15 V16 A17 | E13-G15 VanDerWaalsContact C-N 3.26Å; E13-G15 PolarHBondContact O-N 3Å; E13-V16 VanDerWaalsContact O-CG2 3.29Å; E13-V16 WeakPolarHBondContact O-CG2 3.45Å; E13-V16 PolarHBondContact O-N 3.13Å; E13-A17 PolarHBondContact O-N 3.29Å |
| 14 | S | 40.6 | Very low | 40.8 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -64 | -29.7 | 175 | -56.5 | 0 | 0 | 0 | 0 | 113.2 | S18 | S14-S18 PolarHBondContact O-N 2.98Å |
| 15 | G | 35.1 | Very low | 42.5 | Very low | 36 Ų | 36 | 127.2 Ų | 127.2 | 37% | 0.371 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -68.5 | -45.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E13 S18 M19 | E13-G15 VanDerWaalsContact C-N 3.26Å; E13-G15 PolarHBondContact O-N 3Å; G15-S18 PolarHBondContact O-N 2.84Å; G15-M19 PolarHBondContact O-N 2.67Å; G15-M19 VanDerWaalsContact O-N 3.08Å |
| 16 | V | 44.1 | Very low | 44.6 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72 | -33.9 | -176.5 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | E13 M20 | E13-V16 VanDerWaalsContact O-CG2 3.29Å; E13-V16 WeakPolarHBondContact O-CG2 3.45Å; E13-V16 PolarHBondContact O-N 3.13Å; V16-M20 PolarHBondContact O-N 3.4Å |
| 17 | A | 42.1 | Very low | 46.6 | Very low | 65 Ų | 65 | 113.8 Ų | 113.8 | 54% | 0.537 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.7 | -44 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E13 | E13-A17 PolarHBondContact O-N 3.29Å |
| 18 | S | 42.3 | Very low | 48.8 | Very low | 77 Ų | 77 | 108.2 Ų | 108.2 | 54% | 0.538 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.4 | -44.7 | 178.6 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | S14 G15 M20 Q21 | S14-S18 PolarHBondContact O-N 2.98Å; G15-S18 PolarHBondContact O-N 2.84Å; S18-M20 VanDerWaalsContact C-N 3.33Å; S18-M20 PolarHBondContact O-N 2.92Å; S18-Q21 PolarHBondContact O-N 3.09Å |
| 19 | M | 37.9 | Very low | 51 | Low | 146 Ų | 146 | 112.5 Ų | 112.5 | 72% | 0.719 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.2 | -32.6 | -179.7 | -82.2 | -172.3 | 156.1 | 0 | 0 | 114.4 | G15 S23 | G15-M19 PolarHBondContact O-N 2.67Å; G15-M19 VanDerWaalsContact O-N 3.08Å; M19-S23 PolarHBondContact O-OG 3.05Å; M19-S23 VanDerWaalsContact O-OG 3.05Å |
| 20 | M | 40.9 | Very low | 52.8 | Low | 153 Ų | 153 | 106 Ų | 106 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.8 | -30.2 | -177.9 | -77.4 | -160.9 | 164.2 | 0 | 0 | 114.3 | V16 S18 | V16-M20 PolarHBondContact O-N 3.4Å; S18-M20 VanDerWaalsContact C-N 3.33Å; S18-M20 PolarHBondContact O-N 2.92Å |
| 21 | Q | 45.1 | Very low | 54.4 | Low | 156 Ų | 156 | 104.1 Ų | 104.1 | 73% | 0.729 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.5 | -45 | 179 | -68.1 | -168.2 | -8.3 | 0 | 0 | 112.2 | S18 S23 S25 | S18-Q21 PolarHBondContact O-N 3.09Å; Q21-S23 PolarHBondContact O-N 2.89Å; Q21-S23 VanDerWaalsContact O-N 3.07Å; Q21-S25 PolarHBondContact O-OG 2.92Å |
| 22 | N | 46.1 | Very low | 56.1 | Low | 131 Ų | 131 | 99.3 Ų | 99.3 | 70% | 0.701 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -1.4 | -175.1 | -85.8 | 15.6 | 0 | 0 | 0 | 115.9 | ||
| 23 | S | 49.9 | Very low | 58.1 | Low | 90 Ų | 90 | 92.5 Ų | 92.5 | 63% | 0.629 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -3.5 | -175.5 | -61 | 0 | 0 | 0 | 0 | 114.6 | M19 Q21 | M19-S23 PolarHBondContact O-OG 3.05Å; M19-S23 VanDerWaalsContact O-OG 3.05Å; Q21-S23 PolarHBondContact O-N 2.89Å; Q21-S23 VanDerWaalsContact O-N 3.07Å |
| 24 | H | 59.8 | Low | 60.3 | Low | 141 Ų | 141 | 88.1 Ų | 88.1 | 65% | 0.653 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.2 | -13 | -173.9 | -64.2 | 94.3 | 0 | 0 | 0 | 114.8 | ||
| 25 | S | 71.8 | Confident | 62.4 | Low | 47 Ų | 47 | 87.1 Ų | 87.1 | 33% | 0.329 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.6 | 169.6 | 37.3 | 0 | 0 | 0 | 0 | 110.3 | Q21 F34 | Q21-S25 PolarHBondContact O-OG 2.92Å; S25-F34 CarbonylContact C-O 3.52Å; S25-F34 WeakPolarHBondContact CA-O 3.49Å |
| 26 | G | 77.3 | Confident | 64.6 | Low | 24 Ų | 24 | 91.8 Ų | 91.8 | 25% | 0.247 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 154 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V33 F34 | G26-V33 CarbonylContact O-C 3.59Å; G26-F34 PolarHBondContact N-O 2.76Å; G26-F34 WeakPolarHBondContact O-CD1 3.13Å; G26-F34 PolarHBondContact O-N 3.29Å |
| 27 | V | 81.9 | Confident | 66.3 | Low | 103 Ų | 103 | 90.1 Ų | 90.1 | 62% | 0.624 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.2 | 166.5 | -177.6 | 0 | 0 | 0 | 0 | 108 | G32 | V27-G32 WeakPolarHBondContact CA-O 3.46Å |
| 28 | N | 80.7 | Confident | 68.4 | Low | 38 Ų | 38 | 95.8 Ų | 95.8 | 20% | 0.203 | 53% | 0.525 | C | S | . | . | trans | -84.4 | 172.3 | -179.4 | 72.4 | 41.5 | 0 | 0 | 0 | 111.8 | L30 G31 G32 F34 K78 | N28-L30 PolarHBondContact O-N 2.78Å; N28-L30 WeakPolarHBondContact OD1-CA 3.04Å; N28-L30 VanDerWaalsContact OD1-CB 3.29Å; N28-L30 WeakPolarHBondContact OD1-CB 3.31Å; N28-L30 PolarHBondContact OD1-N 2.75Å; N28-G31 PolarHBondContact O-N 2.9Å; N28-G31 PolarHBondContact OD1-N 2.7Å; N28-G32 VanDerWaalsContact CG-O 3.32Å; N28-G32 PolarHBondContact N-O 2.97Å; N28-G32 PolarHBondContact ND2-O 3Å; N28-G32 PolarHBondContact OD1-N 2.92Å; N28-G32 VanDerWaalsContact OD1-N 3.14Å; N28-F34 HydrophobicContact CB-CD1 3.91Å; N28-F34 HydrophobicContact CB-CE1 3.92Å; N28-K78 PolarHBondContact ND2-O 3.08Å | ||
| 29 | Q | 80.8 | Confident | 70.7 | Confident | 206 Ų | 206 | 95 Ų | 95 | 96% | 0.963 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -12.2 | -177.8 | -69.9 | 177.8 | -17.6 | 0 | 0 | 115.1 | ||
| 30 | L | 75.6 | Confident | 73.1 | Confident | 63 Ų | 63 | 90.1 Ų | 90.1 | 33% | 0.33 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -3.8 | 174.5 | -52.6 | 171.3 | 0 | 0 | 0 | 112.1 | N28 Q66 K78 | N28-L30 PolarHBondContact O-N 2.78Å; N28-L30 WeakPolarHBondContact OD1-CA 3.04Å; N28-L30 VanDerWaalsContact OD1-CB 3.29Å; N28-L30 WeakPolarHBondContact OD1-CB 3.31Å; N28-L30 PolarHBondContact OD1-N 2.75Å; L30-Q66 HydrophobicContact CB-CG 4.36Å; L30-Q66 HydrophobicContact CD1-CG 4.39Å; L30-K78 HydrophobicContact CB-CB 4.16Å; L30-K78 WeakPolarHBondContact O-CD 3.29Å |
| 31 | G | 74.8 | Confident | 75.3 | Confident | 37 Ų | 37 | 85.7 Ų | 85.7 | 38% | 0.381 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 82.3 | 18.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | N28 | N28-G31 PolarHBondContact O-N 2.9Å; N28-G31 PolarHBondContact OD1-N 2.7Å |
| 32 | G | 77.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 46% | 0.462 | C | S | . | . | trans | -92.9 | 137.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | V27 N28 | V27-G32 WeakPolarHBondContact CA-O 3.46Å; N28-G32 VanDerWaalsContact CG-O 3.32Å; N28-G32 PolarHBondContact N-O 2.97Å; N28-G32 PolarHBondContact ND2-O 3Å; N28-G32 PolarHBondContact OD1-N 2.92Å; N28-G32 VanDerWaalsContact OD1-N 3.14Å | ||
| 33 | V | 80.9 | Confident | 79.4 | Confident | 71 Ų | 71 | 79.2 Ų | 79.2 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 140.7 | 175.9 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | G26 | G26-V33 CarbonylContact O-C 3.59Å |
| 34 | F | 81.8 | Confident | 81.2 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 34% | 0.342 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 150.2 | 172.1 | 73.8 | -79.9 | 0 | 0 | 0 | 111.3 | S25 G26 N28 N36 | S25-F34 CarbonylContact C-O 3.52Å; S25-F34 WeakPolarHBondContact CA-O 3.49Å; G26-F34 PolarHBondContact N-O 2.76Å; G26-F34 WeakPolarHBondContact O-CD1 3.13Å; G26-F34 PolarHBondContact O-N 3.29Å; N28-F34 HydrophobicContact CB-CD1 3.91Å; N28-F34 HydrophobicContact CB-CE1 3.92Å; F34-N36 HydrophobicContact CE2-CB 4.11Å |
| 35 | V | 84 | Confident | 82.7 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 44% | 0.442 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.7 | 172.7 | -175 | 0 | 0 | 0 | 0 | 109.4 | R38 | V35-R38 HydrophobicContact CB-CB 4.08Å; V35-R38 HydrophobicContact CB-CG 3.94Å; V35-R38 HydrophobicContact CG1-CB 4.25Å; V35-R38 HydrophobicContact CG1-CG 3.56Å; V35-R38 PolarHBondContact O-N 3.22Å |
| 36 | N | 80.9 | Confident | 83.7 | Confident | 135 Ų | 135 | 71.2 Ų | 71.2 | 72% | 0.722 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 138.6 | -174.4 | -162.1 | 0.1 | 0 | 0 | 0 | 111.5 | F34 R38 | F34-N36 HydrophobicContact CE2-CB 4.11Å; N36-R38 PolarHBondContact O-N 3.43Å |
| 37 | G | 81.1 | Confident | 84.3 | Confident | 58 Ų | 58 | 74 Ų | 74 | 60% | 0.598 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 38 | R | 86.1 | Confident | 84.8 | Confident | 184 Ų | 184 | 69 Ų | 69 | 69% | 0.694 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -100.2 | 155.3 | 173.1 | -61.9 | -61.3 | -174.5 | 168.9 | 2.2 | 111.2 | V35 N36 | V35-R38 HydrophobicContact CB-CB 4.08Å; V35-R38 HydrophobicContact CB-CG 3.94Å; V35-R38 HydrophobicContact CG1-CB 4.25Å; V35-R38 HydrophobicContact CG1-CG 3.56Å; V35-R38 PolarHBondContact O-N 3.22Å; N36-R38 PolarHBondContact O-N 3.43Å |
| 39 | P | 88.8 | Confident | 85.5 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 158.7 | 164.1 | 33.2 | -34.8 | 0 | 0 | 0 | 109.8 | P99 | P39-P99 HydrophobicContact CB-CB 3.72Å; P39-P99 HydrophobicContact CB-CG 4.14Å; P39-P99 HydrophobicContact CG-CB 4.13Å; P39-P99 HydrophobicContact CG-CG 4.08Å |
| 40 | L | 88.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 153.2 | 165.2 | -85.4 | 65.4 | 0 | 0 | 0 | 109.9 | T44 R45 V79 I87 | L40-T44 HydrophobicContact CD2-CG2 4.44Å; L40-R45 HydrophobicContact CB-CG 3.81Å; L40-R45 WeakPolarHBondContact O-CD 3.49Å; L40-V79 HydrophobicContact CD2-CB 4.25Å; L40-V79 HydrophobicContact CD2-CG1 3.67Å; L40-V79 HydrophobicContact CD2-CG2 3.54Å; L40-I87 HydrophobicContact CD2-CD1 4.46Å |
| 41 | P | 88.9 | Confident | 86.9 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 147.1 | 169.2 | -30.3 | 38.5 | 0 | 0 | 0 | 113.4 | S43 T44 R45 E77 | P41-S43 VanDerWaalsContact CB-OG 3.29Å; P41-S43 WeakPolarHBondContact CB-OG 3.5Å; P41-S43 PolarHBondContact O-N 3.36Å; P41-T44 PolarHBondContact O-N 2.91Å; P41-T44 PolarHBondContact O-OG1 3.34Å; P41-T44 VanDerWaalsContact O-OG1 3.07Å; P41-R45 WeakPolarHBondContact O-CD 3.28Å; P41-R45 WeakPolarHBondContact O-CG 3.5Å; P41-R45 PolarHBondContact O-N 3.18Å; P41-E77 VanDerWaalsContact CD-OE1 3.26Å; P41-E77 WeakPolarHBondContact CD-OE1 3.42Å; P41-E77 VanDerWaalsContact CG-OE1 3.26Å; P41-E77 WeakPolarHBondContact CG-OE1 3.26Å |
| 42 | D | 87.7 | Confident | 87.8 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.9 | -16.5 | 179.9 | -79.4 | -16.3 | 0 | 0 | 0 | 112.2 | R45 Q46 | D42-R45 IonicContact OD1-CZ 2.7Å; D42-R45 IonicContact OD1-NH1 3.18Å; D42-R45 PolarHBondContact OD1-NH1 2.7Å; D42-Q46 VanDerWaalsContact O-CB 3.3Å; D42-Q46 WeakPolarHBondContact O-CB 3.36Å; D42-Q46 PolarHBondContact O-N 2.83Å |
| 43 | S | 87.9 | Confident | 88.5 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 54% | 0.538 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.1 | -59.4 | 167.9 | 44.4 | 0 | 0 | 0 | 0 | 112.7 | P41 R45 Q46 K47 | P41-S43 VanDerWaalsContact CB-OG 3.29Å; P41-S43 WeakPolarHBondContact CB-OG 3.5Å; P41-S43 PolarHBondContact O-N 3.36Å; S43-R45 PolarHBondContact O-N 2.94Å; S43-Q46 PolarHBondContact O-N 3.41Å; S43-K47 PolarHBondContact O-N 3.38Å |
| 44 | T | 87.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.4 | -41.4 | 175.3 | 4 | 0 | 0 | 0 | 0 | 111 | L40 P41 K47 I48 E77 V79 | L40-T44 HydrophobicContact CD2-CG2 4.44Å; P41-T44 PolarHBondContact O-N 2.91Å; P41-T44 PolarHBondContact O-OG1 3.34Å; P41-T44 VanDerWaalsContact O-OG1 3.07Å; T44-K47 PolarHBondContact O-N 3.01Å; T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.36Å; T44-I48 PolarHBondContact O-N 3.27Å; T44-E77 WeakPolarHBondContact CB-OE2 3.23Å; T44-E77 HydrophobicContact CG2-CB 3.57Å; T44-E77 VanDerWaalsContact CG2-CD 3.42Å; T44-E77 HydrophobicContact CG2-CG 4.15Å; T44-E77 WeakPolarHBondContact CG2-OE1 3.19Å; T44-E77 VanDerWaalsContact CG2-OE2 3.23Å; T44-E77 WeakPolarHBondContact CG2-OE2 3.45Å; T44-E77 PolarHBondContact OG1-OE1 3.25Å; T44-E77 PolarHBondContact OG1-OE2 2.69Å; T44-E77 VanDerWaalsContact OG1-OE2 3.05Å; T44-V79 HydrophobicContact CG2-CG2 3.5Å; T44-V79 VanDerWaalsContact CG2-CG2 3.5Å |
| 45 | R | 92.2 | Very high | 89.6 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -75.5 | -31.2 | -172 | -61.6 | 172.7 | 72.9 | -113.8 | -19.2 | 111.8 | L40 P41 D42 S43 V49 I87 I97 P99 | L40-R45 HydrophobicContact CB-CG 3.81Å; L40-R45 WeakPolarHBondContact O-CD 3.49Å; P41-R45 WeakPolarHBondContact O-CD 3.28Å; P41-R45 WeakPolarHBondContact O-CG 3.5Å; P41-R45 PolarHBondContact O-N 3.18Å; D42-R45 IonicContact OD1-CZ 2.7Å; D42-R45 IonicContact OD1-NH1 3.18Å; D42-R45 PolarHBondContact OD1-NH1 2.7Å; S43-R45 PolarHBondContact O-N 2.94Å; R45-V49 PolarHBondContact O-N 3.1Å; R45-I87 HydrophobicContact CG-CD1 3.93Å; R45-I97 PolarHBondContact NH1-O 3.41Å; R45-I97 PolarHBondContact NH2-O 3.3Å; R45-P99 VanDerWaalsContact NH1-CD 3.28Å |
| 46 | Q | 92.6 | Very high | 90 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 164.1 | -179.6 | 61.1 | 17.8 | 0 | 0 | 111.1 | D42 S43 I48 V49 E50 I97 | D42-Q46 VanDerWaalsContact O-CB 3.3Å; D42-Q46 WeakPolarHBondContact O-CB 3.36Å; D42-Q46 PolarHBondContact O-N 2.83Å; S43-Q46 PolarHBondContact O-N 3.41Å; Q46-I48 VanDerWaalsContact C-N 3.34Å; Q46-I48 PolarHBondContact O-N 3.02Å; Q46-V49 PolarHBondContact O-N 2.89Å; Q46-V49 VanDerWaalsContact O-N 3.07Å; Q46-E50 PolarHBondContact O-N 3.06Å; Q46-I97 HydrophobicContact CB-CD1 4.48Å; Q46-I97 VanDerWaalsContact OE1-CD1 3.3Å |
| 47 | K | 90.8 | Very high | 90.4 | Very high | 81 Ų | 81 | 63 Ų | 63 | 35% | 0.352 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | -178.5 | -162.6 | 53.6 | 161.9 | -174.7 | 0 | 113.3 | S43 T44 V49 E50 L51 L65 | S43-K47 PolarHBondContact O-N 3.38Å; T44-K47 PolarHBondContact O-N 3.01Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 3.36Å; K47-E50 HydrophobicContact CD-CB 4.38Å; K47-E50 WeakPolarHBondContact CD-OE2 3.39Å; K47-E50 IonicContact NZ-OE1 2.98Å; K47-E50 PolarHBondContact NZ-OE1 3.48Å; K47-E50 IonicContact NZ-OE2 2.7Å; K47-E50 PolarHBondContact NZ-OE2 2.92Å; K47-E50 PolarHBondContact O-N 2.65Å; K47-L51 HydrophobicContact CD-CG 4.49Å; K47-L51 HydrophobicContact CG-CD1 4.2Å; K47-L51 HydrophobicContact CG-CG 4.49Å; K47-L51 WeakPolarHBondContact O-CB 3.49Å; K47-L51 VanDerWaalsContact O-CG 3.27Å; K47-L51 WeakPolarHBondContact O-CG 3.45Å; K47-L51 PolarHBondContact O-N 2.71Å; K47-L65 HydrophobicContact CG-CD2 4.12Å |
| 48 | I | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 170.8 | -76.6 | 164.5 | 0 | 0 | 0 | 111.5 | T44 Q46 A52 I61 L65 V79 V84 I87 L88 | T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.36Å; T44-I48 PolarHBondContact O-N 3.27Å; Q46-I48 VanDerWaalsContact C-N 3.34Å; Q46-I48 PolarHBondContact O-N 3.02Å; I48-A52 WeakPolarHBondContact O-CB 3.42Å; I48-A52 PolarHBondContact O-N 3.35Å; I48-I61 HydrophobicContact CG1-CG2 4.18Å; I48-L65 HydrophobicContact CD1-CD1 4.19Å; I48-L65 HydrophobicContact CG1-CD1 3.51Å; I48-V79 HydrophobicContact CD1-CG1 4.13Å; I48-V79 HydrophobicContact CD1-CG2 4.3Å; I48-V84 HydrophobicContact CD1-CG2 4.24Å; I48-V84 HydrophobicContact CG1-CG2 4.39Å; I48-V84 HydrophobicContact CG2-CG1 4.05Å; I48-I87 HydrophobicContact CD1-CD1 3.61Å; I48-I87 HydrophobicContact CG2-CB 4.32Å; I48-I87 HydrophobicContact CG2-CG2 3.9Å; I48-L88 HydrophobicContact CG2-CD1 4.37Å; I48-L88 HydrophobicContact CG2-CD2 3.74Å; I48-L88 HydrophobicContact CG2-CG 3.8Å |
| 49 | V | 93.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.8 | -39.3 | -179.8 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | R45 Q46 K47 A52 H53 L88 Y91 I97 | R45-V49 PolarHBondContact O-N 3.1Å; Q46-V49 PolarHBondContact O-N 2.89Å; Q46-V49 VanDerWaalsContact O-N 3.07Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 3.36Å; V49-A52 PolarHBondContact O-N 3.19Å; V49-H53 WeakPolarHBondContact CG1-CE1 3.42Å; V49-H53 PolarHBondContact O-N 3.42Å; V49-H53 PolarHBondContact O-ND1 3.46Å; V49-L88 HydrophobicContact CG2-CD2 4.14Å; V49-Y91 HydrophobicContact CG1-CD1 3.91Å; V49-Y91 HydrophobicContact CG1-CD2 4.17Å; V49-Y91 HydrophobicContact CG1-CE1 3.6Å; V49-Y91 HydrophobicContact CG1-CE2 3.88Å; V49-Y91 HydrophobicContact CG1-CG 4.19Å; V49-Y91 HydrophobicContact CG2-CD1 4.08Å; V49-Y91 HydrophobicContact CG2-CD2 3.95Å; V49-Y91 HydrophobicContact CG2-CE2 4.47Å; V49-Y91 HydrophobicContact CG2-CG 3.75Å; V49-I97 HydrophobicContact CG2-CG2 4.22Å |
| 50 | E | 93.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.2 | -49.8 | 174.3 | -168.7 | -161.6 | 139.7 | 0 | 0 | 111.6 | Q46 K47 A52 H53 S54 | Q46-E50 PolarHBondContact O-N 3.06Å; K47-E50 HydrophobicContact CD-CB 4.38Å; K47-E50 WeakPolarHBondContact CD-OE2 3.39Å; K47-E50 IonicContact NZ-OE1 2.98Å; K47-E50 PolarHBondContact NZ-OE1 3.48Å; K47-E50 IonicContact NZ-OE2 2.7Å; K47-E50 PolarHBondContact NZ-OE2 2.92Å; K47-E50 PolarHBondContact O-N 2.65Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 2.9Å; E50-H53 PolarHBondContact O-N 2.94Å; E50-H53 VanDerWaalsContact O-N 3.14Å; E50-S54 PolarHBondContact O-N 2.71Å |
| 51 | L | 91.9 | Very high | 90.7 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -31.4 | 178.7 | -67.6 | 169 | 0 | 0 | 0 | 112.6 | K47 S54 G55 A56 I61 I64 L65 | K47-L51 HydrophobicContact CD-CG 4.49Å; K47-L51 HydrophobicContact CG-CD1 4.2Å; K47-L51 HydrophobicContact CG-CG 4.49Å; K47-L51 WeakPolarHBondContact O-CB 3.49Å; K47-L51 VanDerWaalsContact O-CG 3.27Å; K47-L51 WeakPolarHBondContact O-CG 3.45Å; K47-L51 PolarHBondContact O-N 2.71Å; L51-S54 WeakPolarHBondContact CA-OG 3.43Å; L51-S54 PolarHBondContact O-N 3.4Å; L51-S54 PolarHBondContact O-OG 3.04Å; L51-G55 PolarHBondContact O-N 2.7Å; L51-A56 HydrophobicContact CB-CB 4.48Å; L51-A56 VanDerWaalsContact O-CB 3.24Å; L51-A56 WeakPolarHBondContact O-CB 3.47Å; L51-A56 PolarHBondContact O-N 3.18Å; L51-I61 HydrophobicContact CB-CD1 4.32Å; L51-I61 HydrophobicContact CB-CG1 3.87Å; L51-I61 HydrophobicContact CB-CG2 4.38Å; L51-I61 HydrophobicContact CD1-CG2 4.17Å; L51-I64 HydrophobicContact CD1-CB 4.32Å; L51-I64 HydrophobicContact CD1-CG2 3.72Å; L51-I64 HydrophobicContact CD2-CD1 4.44Å; L51-I64 HydrophobicContact CD2-CG2 4.15Å; L51-L65 HydrophobicContact CD1-CD2 4.27Å; L51-L65 HydrophobicContact CD1-CG 4.33Å |
| 52 | A | 93.8 | Very high | 90.5 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.4 | -37.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I48 V49 E50 S54 G55 I61 L88 | I48-A52 WeakPolarHBondContact O-CB 3.42Å; I48-A52 PolarHBondContact O-N 3.35Å; V49-A52 PolarHBondContact O-N 3.19Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 2.9Å; A52-S54 VanDerWaalsContact C-N 3.34Å; A52-G55 PolarHBondContact O-N 3.43Å; A52-G55 VanDerWaalsContact O-N 3.1Å; A52-I61 HydrophobicContact CB-CD1 3.78Å; A52-L88 HydrophobicContact CB-CD1 4.06Å; A52-L88 HydrophobicContact CB-CD2 3.54Å; A52-L88 HydrophobicContact CB-CG 4.48Å |
| 53 | H | 94.1 | Very high | 90.3 | Very high | 119 Ų | 119 | 54.8 Ų | 54.8 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68.9 | -29.6 | 173.1 | -67.8 | 144.1 | 0 | 0 | 0 | 113.1 | V49 E50 G55 Y91 | V49-H53 WeakPolarHBondContact CG1-CE1 3.42Å; V49-H53 PolarHBondContact O-N 3.42Å; V49-H53 PolarHBondContact O-ND1 3.46Å; E50-H53 PolarHBondContact O-N 2.94Å; E50-H53 VanDerWaalsContact O-N 3.14Å; H53-G55 PolarHBondContact O-N 3.22Å; H53-Y91 AromaticContact CE1-CE1 3.64Å; H53-Y91 AromaticContact CE1-CZ 3.8Å; H53-Y91 PolarHBondContact CE1-OH 3.42Å; H53-Y91 AromaticContact NE2-CE1 3.53Å |
| 54 | S | 93.6 | Very high | 90.1 | Very high | 89 Ų | 89 | 53.5 Ų | 53.5 | 62% | 0.622 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 12.3 | 169.1 | 75.4 | 0 | 0 | 0 | 0 | 113.6 | E50 L51 A52 | E50-S54 PolarHBondContact O-N 2.71Å; L51-S54 WeakPolarHBondContact CA-OG 3.43Å; L51-S54 PolarHBondContact O-N 3.4Å; L51-S54 PolarHBondContact O-OG 3.04Å; A52-S54 VanDerWaalsContact C-N 3.34Å |
| 55 | G | 91.5 | Very high | 89.7 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 66% | 0.66 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 6.2 | 173 | 0 | 0 | 0 | 0 | 0 | 116.2 | L51 A52 H53 | L51-G55 PolarHBondContact O-N 2.7Å; A52-G55 PolarHBondContact O-N 3.43Å; A52-G55 VanDerWaalsContact O-N 3.1Å; H53-G55 PolarHBondContact O-N 3.22Å |
| 56 | A | 91.5 | Very high | 88.6 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | trans | -72 | 136.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L51 I61 I64 | L51-A56 HydrophobicContact CB-CB 4.48Å; L51-A56 VanDerWaalsContact O-CB 3.24Å; L51-A56 WeakPolarHBondContact O-CB 3.47Å; L51-A56 PolarHBondContact O-N 3.18Å; A56-I61 HydrophobicContact CB-CD1 4.45Å; A56-I61 HydrophobicContact CB-CG1 3.71Å; A56-I61 WeakPolarHBondContact O-CD1 3.35Å; A56-I64 HydrophobicContact CB-CD1 4.25Å | ||
| 57 | R | 90.4 | Very high | 87.1 | Confident | 153 Ų | 153 | 57 Ų | 57 | 58% | 0.577 | 31% | 0.305 | S | S | * | . | trans | -75.8 | 155.3 | 177.9 | -53.6 | 171.7 | -60.6 | 172.7 | 7.9 | 110 | C59 D60 I61 | R57-C59 PolarHBondContact O-N 3.19Å; R57-D60 WeakPolarHBondContact CB-OD2 3.42Å; R57-D60 IonicContact CZ-OD1 3.03Å; R57-D60 IonicContact CZ-OD2 3.85Å; R57-D60 VanDerWaalsContact CZ-OD2 3.27Å; R57-D60 IonicContact NE-OD1 3.57Å; R57-D60 IonicContact NE-OD2 3.97Å; R57-D60 PolarHBondContact NE-OD2 3.49Å; R57-D60 VanDerWaalsContact NH2-CG 3.34Å; R57-D60 IonicContact NH2-OD1 2.61Å; R57-D60 PolarHBondContact NH2-OD1 2.95Å; R57-D60 IonicContact NH2-OD2 2.88Å; R57-D60 PolarHBondContact NH2-OD2 3.31Å; R57-D60 WeakPolarHBondContact O-CA 3.44Å; R57-D60 PolarHBondContact O-N 2.94Å; R57-I61 WeakPolarHBondContact O-CG1 3.3Å; R57-I61 PolarHBondContact O-N 3.49Å | ||
| 58 | P | 88.2 | Confident | 85.4 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.5 | -31.4 | -177.5 | -28.9 | 35.9 | 0 | 0 | 0 | 115.7 | S62 V84 L88 | P58-S62 WeakPolarHBondContact O-CB 3.35Å; P58-S62 PolarHBondContact O-N 2.84Å; P58-S62 VanDerWaalsContact O-N 3.15Å; P58-V84 HydrophobicContact CB-CG1 4.1Å; P58-L88 HydrophobicContact CB-CD1 4.44Å; P58-L88 HydrophobicContact CG-CD1 4.05Å |
| 59 | C | 86.7 | Confident | 83.5 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 34% | 0.338 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.3 | -36.6 | 173.3 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | R57 R63 | R57-C59 PolarHBondContact O-N 3.19Å; C59-R63 PolarHBondContact O-N 3.29Å |
| 60 | D | 87.2 | Confident | 81.4 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -77.3 | -39 | 178.4 | -49.9 | -41.6 | 0 | 0 | 0 | 110.1 | R57 S62 R63 I64 | R57-D60 WeakPolarHBondContact CB-OD2 3.42Å; R57-D60 IonicContact CZ-OD1 3.03Å; R57-D60 IonicContact CZ-OD2 3.85Å; R57-D60 VanDerWaalsContact CZ-OD2 3.27Å; R57-D60 IonicContact NE-OD1 3.57Å; R57-D60 IonicContact NE-OD2 3.97Å; R57-D60 PolarHBondContact NE-OD2 3.49Å; R57-D60 VanDerWaalsContact NH2-CG 3.34Å; R57-D60 IonicContact NH2-OD1 2.61Å; R57-D60 PolarHBondContact NH2-OD1 2.95Å; R57-D60 IonicContact NH2-OD2 2.88Å; R57-D60 PolarHBondContact NH2-OD2 3.31Å; R57-D60 WeakPolarHBondContact O-CA 3.44Å; R57-D60 PolarHBondContact O-N 2.94Å; D60-S62 PolarHBondContact O-N 3.06Å; D60-R63 CarbonylContact O-C 3.6Å; D60-R63 WeakPolarHBondContact O-CA 3.42Å; D60-R63 WeakPolarHBondContact O-CB 3.45Å; D60-R63 PolarHBondContact O-N 2.81Å; D60-I64 VanDerWaalsContact O-CG1 3.28Å; D60-I64 WeakPolarHBondContact O-CG1 3.36Å; D60-I64 PolarHBondContact O-N 3.49Å |
| 61 | I | 87.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.4 | -49.3 | 171.3 | -64.4 | 171.2 | 0 | 0 | 0 | 110.7 | I48 L51 A52 A56 R57 R63 I64 L65 V84 L88 | I48-I61 HydrophobicContact CG1-CG2 4.18Å; L51-I61 HydrophobicContact CB-CD1 4.32Å; L51-I61 HydrophobicContact CB-CG1 3.87Å; L51-I61 HydrophobicContact CB-CG2 4.38Å; L51-I61 HydrophobicContact CD1-CG2 4.17Å; A52-I61 HydrophobicContact CB-CD1 3.78Å; A56-I61 HydrophobicContact CB-CD1 4.45Å; A56-I61 HydrophobicContact CB-CG1 3.71Å; A56-I61 WeakPolarHBondContact O-CD1 3.35Å; R57-I61 WeakPolarHBondContact O-CG1 3.3Å; R57-I61 PolarHBondContact O-N 3.49Å; I61-R63 PolarHBondContact O-N 3.05Å; I61-I64 PolarHBondContact O-N 3.22Å; I61-L65 HydrophobicContact CG2-CD1 3.85Å; I61-L65 HydrophobicContact CG2-CG 4.5Å; I61-L65 WeakPolarHBondContact O-CG 3.11Å; I61-L65 PolarHBondContact O-N 3.27Å; I61-V84 HydrophobicContact CB-CG1 4.08Å; I61-V84 HydrophobicContact CD1-CG1 4.43Å; I61-V84 HydrophobicContact CG2-CG1 3.79Å; I61-V84 HydrophobicContact CG2-CG2 4.34Å; I61-L88 HydrophobicContact CD1-CD1 3.88Å |
| 62 | S | 85.4 | Confident | 77 | Confident | 6 Ų | 6 | 80.7 Ų | 80.7 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.2 | -32.8 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | P58 D60 Q66 V79 N81 | P58-S62 WeakPolarHBondContact O-CB 3.35Å; P58-S62 PolarHBondContact O-N 2.84Å; P58-S62 VanDerWaalsContact O-N 3.15Å; D60-S62 PolarHBondContact O-N 3.06Å; S62-Q66 WeakPolarHBondContact O-CG 3.4Å; S62-Q66 PolarHBondContact O-N 2.76Å; S62-Q66 PolarHBondContact O-NE2 3.11Å; S62-V79 PolarHBondContact OG-O 2.9Å; S62-N81 PolarHBondContact OG-N 2.88Å |
| 63 | R | 83.6 | Confident | 74.8 | Confident | 158 Ų | 158 | 86.4 Ų | 86.4 | 60% | 0.596 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -76.8 | -41.3 | 176.3 | -168.7 | -172.5 | -55.6 | -78.9 | 0.4 | 112.7 | C59 D60 I61 L65 Q66 T67 | C59-R63 PolarHBondContact O-N 3.29Å; D60-R63 CarbonylContact O-C 3.6Å; D60-R63 WeakPolarHBondContact O-CA 3.42Å; D60-R63 WeakPolarHBondContact O-CB 3.45Å; D60-R63 PolarHBondContact O-N 2.81Å; I61-R63 PolarHBondContact O-N 3.05Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 2.72Å; R63-Q66 WeakPolarHBondContact O-CA 3.49Å; R63-Q66 VanDerWaalsContact O-CB 3.3Å; R63-Q66 WeakPolarHBondContact O-CB 3.49Å; R63-Q66 PolarHBondContact O-N 3.23Å; R63-T67 PolarHBondContact O-N 3.08Å; R63-T67 PolarHBondContact O-OG1 3.33Å |
| 64 | I | 82.4 | Confident | 72.6 | Confident | 50 Ų | 50 | 88.7 Ų | 88.7 | 26% | 0.256 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 175.3 | -71.1 | 161.8 | 0 | 0 | 0 | 109.3 | L51 A56 D60 I61 Q66 T67 H68 | L51-I64 HydrophobicContact CD1-CB 4.32Å; L51-I64 HydrophobicContact CD1-CG2 3.72Å; L51-I64 HydrophobicContact CD2-CD1 4.44Å; L51-I64 HydrophobicContact CD2-CG2 4.15Å; A56-I64 HydrophobicContact CB-CD1 4.25Å; D60-I64 VanDerWaalsContact O-CG1 3.28Å; D60-I64 WeakPolarHBondContact O-CG1 3.36Å; D60-I64 PolarHBondContact O-N 3.49Å; I61-I64 PolarHBondContact O-N 3.22Å; I64-Q66 PolarHBondContact O-N 2.94Å; I64-Q66 VanDerWaalsContact O-N 3.1Å; I64-T67 PolarHBondContact O-N 3.13Å; I64-T67 PolarHBondContact O-OG1 3.03Å; I64-H68 HydrophobicContact CG2-CB 4.43Å; I64-H68 WeakPolarHBondContact O-CB 3.47Å; I64-H68 PolarHBondContact O-N 3.37Å; I64-H68 VanDerWaalsContact O-N 3.11Å |
| 65 | L | 79.7 | Confident | 70.6 | Confident | 30 Ų | 30 | 88.9 Ų | 88.9 | 16% | 0.157 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.1 | -4.3 | 174.5 | -61.8 | 169.7 | 0 | 0 | 0 | 114 | K47 I48 L51 I61 R63 K78 V79 | K47-L65 HydrophobicContact CG-CD2 4.12Å; I48-L65 HydrophobicContact CD1-CD1 4.19Å; I48-L65 HydrophobicContact CG1-CD1 3.51Å; L51-L65 HydrophobicContact CD1-CD2 4.27Å; L51-L65 HydrophobicContact CD1-CG 4.33Å; I61-L65 HydrophobicContact CG2-CD1 3.85Å; I61-L65 HydrophobicContact CG2-CG 4.5Å; I61-L65 WeakPolarHBondContact O-CG 3.11Å; I61-L65 PolarHBondContact O-N 3.27Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 2.72Å; L65-K78 WeakPolarHBondContact O-CA 3.37Å; L65-V79 HydrophobicContact CD1-CB 4.21Å; L65-V79 HydrophobicContact CD1-CG2 4.07Å |
| 66 | Q | 69.8 | Low | 68.8 | Low | 62 Ų | 62 | 88.2 Ų | 88.2 | 29% | 0.29 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -93.8 | -20 | 168.7 | -74.3 | 161.2 | 60.1 | 0 | 0 | 113.5 | L30 S62 R63 I64 K78 | L30-Q66 HydrophobicContact CB-CG 4.36Å; L30-Q66 HydrophobicContact CD1-CG 4.39Å; S62-Q66 WeakPolarHBondContact O-CG 3.4Å; S62-Q66 PolarHBondContact O-N 2.76Å; S62-Q66 PolarHBondContact O-NE2 3.11Å; R63-Q66 WeakPolarHBondContact O-CA 3.49Å; R63-Q66 VanDerWaalsContact O-CB 3.3Å; R63-Q66 WeakPolarHBondContact O-CB 3.49Å; R63-Q66 PolarHBondContact O-N 3.23Å; I64-Q66 PolarHBondContact O-N 2.94Å; I64-Q66 VanDerWaalsContact O-N 3.1Å; Q66-K78 HydrophobicContact CB-CD 4.47Å; Q66-K78 HydrophobicContact CG-CB 3.93Å; Q66-K78 HydrophobicContact CG-CD 4.34Å; Q66-K78 HydrophobicContact CG-CG 4.33Å |
| 67 | T | 61.5 | Low | 67.5 | Low | 93 Ų | 93 | 88.9 Ų | 88.9 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -118.2 | -17.9 | -167.1 | 58.1 | 0 | 0 | 0 | 0 | 115.3 | R63 I64 D69 | R63-T67 PolarHBondContact O-N 3.08Å; R63-T67 PolarHBondContact O-OG1 3.33Å; I64-T67 PolarHBondContact O-N 3.13Å; I64-T67 PolarHBondContact O-OG1 3.03Å; T67-D69 VanDerWaalsContact C-N 3.33Å; T67-D69 PolarHBondContact O-N 3.45Å |
| 68 | H | 54.7 | Low | 66.8 | Low | 160 Ų | 160 | 84.5 Ų | 84.5 | 74% | 0.741 | 44% | 0.439 | S | S | * | . | trans | -89.1 | 22.6 | -159.7 | -136.5 | -65.2 | 0 | 0 | 0 | 116.8 | I64 | I64-H68 HydrophobicContact CG2-CB 4.43Å; I64-H68 WeakPolarHBondContact O-CB 3.47Å; I64-H68 PolarHBondContact O-N 3.37Å; I64-H68 VanDerWaalsContact O-N 3.11Å | ||
| 69 | D | 51.1 | Low | 66.5 | Low | 59 Ų | 59 | 82.4 Ų | 82.4 | 32% | 0.316 | 43% | 0.425 | S | S | . | . | trans | -132.2 | 77.7 | -176 | -175.4 | 22.6 | 0 | 0 | 0 | 112.2 | T67 Q72 | T67-D69 VanDerWaalsContact C-N 3.33Å; T67-D69 PolarHBondContact O-N 3.45Å; D69-Q72 PolarHBondContact OD1-N 3Å | ||
| 70 | E | 49.8 | Very low | 66.5 | Low | 188 Ų | 188 | 82.7 Ų | 82.7 | 88% | 0.879 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -100.5 | 12.1 | 166.3 | -67.7 | -164.4 | 128.2 | 0 | 0 | 112.2 | ||
| 71 | V | 51.4 | Low | 66.5 | Low | 130 Ų | 130 | 84 Ų | 84 | 79% | 0.788 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -127.9 | -26.3 | -168.7 | -173.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 72 | Q | 42.7 | Very low | 66.5 | Low | 155 Ų | 155 | 86.6 Ų | 86.6 | 72% | 0.724 | 46% | 0.461 | S | S | * | . | trans | -137.7 | 81.3 | 178.7 | -68.3 | -167.1 | -12.7 | 0 | 0 | 112.6 | D69 L74 | D69-Q72 PolarHBondContact OD1-N 3Å; Q72-L74 PolarHBondContact O-N 3.41Å | ||
| 73 | V | 47.4 | Very low | 66.7 | Low | 132 Ų | 132 | 87.7 Ų | 87.7 | 80% | 0.8 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 59.5 | -173.5 | -163 | 0 | 0 | 0 | 0 | 114.1 | ||
| 74 | L | 47.9 | Very low | 67.1 | Low | 167 Ų | 167 | 80.2 Ų | 80.2 | 87% | 0.874 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.4 | -19.3 | 179.4 | -96.3 | 171.4 | 0 | 0 | 0 | 115.8 | Q72 | Q72-L74 PolarHBondContact O-N 3.41Š|
| 75 | D | 51 | Low | 67.6 | Low | 94 Ų | 94 | 80.4 Ų | 80.4 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | trans | -147.8 | 76.1 | 173.8 | -148.7 | -6.7 | 0 | 0 | 0 | 113.6 | E77 | D75-E77 HydrophobicContact CB-CG 4.4Å; D75-E77 PolarHBondContact O-N 2.84Å | ||
| 76 | S | 54.2 | Low | 68.2 | Low | 49 Ų | 49 | 86.4 Ų | 86.4 | 34% | 0.343 | 47% | 0.471 | S | S | . | . | trans | -72.7 | 76 | 173.7 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | K78 | S76-K78 PolarHBondContact O-N 2.9Š| ||
| 77 | E | 63.8 | Low | 69.3 | Low | 38 Ų | 38 | 84.1 Ų | 84.1 | 18% | 0.178 | 46% | 0.461 | C | S | . | . | trans | -70.8 | 61.1 | -178.3 | -60.6 | -159.9 | 84.7 | 0 | 0 | 113.7 | P41 T44 D75 V79 | P41-E77 VanDerWaalsContact CD-OE1 3.26Å; P41-E77 WeakPolarHBondContact CD-OE1 3.42Å; P41-E77 VanDerWaalsContact CG-OE1 3.26Å; P41-E77 WeakPolarHBondContact CG-OE1 3.26Å; T44-E77 WeakPolarHBondContact CB-OE2 3.23Å; T44-E77 HydrophobicContact CG2-CB 3.57Å; T44-E77 VanDerWaalsContact CG2-CD 3.42Å; T44-E77 HydrophobicContact CG2-CG 4.15Å; T44-E77 WeakPolarHBondContact CG2-OE1 3.19Å; T44-E77 VanDerWaalsContact CG2-OE2 3.23Å; T44-E77 WeakPolarHBondContact CG2-OE2 3.45Å; T44-E77 PolarHBondContact OG1-OE1 3.25Å; T44-E77 PolarHBondContact OG1-OE2 2.69Å; T44-E77 VanDerWaalsContact OG1-OE2 3.05Å; D75-E77 HydrophobicContact CB-CG 4.4Å; D75-E77 PolarHBondContact O-N 2.84Å; E77-V79 VanDerWaalsContact O-CG2 3.24Å; E77-V79 WeakPolarHBondContact O-CG2 3.47Å; E77-V79 PolarHBondContact O-N 3.02Å | ||
| 78 | K | 76.6 | Confident | 70.9 | Confident | 60 Ų | 60 | 80 Ų | 80 | 26% | 0.261 | 44% | 0.435 | S | S | . | . | trans | -70.6 | 91.2 | -176.4 | -49.3 | -174.7 | 174.3 | 169.1 | 0 | 112.2 | N28 L30 L65 Q66 S76 | N28-K78 PolarHBondContact ND2-O 3.08Å; L30-K78 HydrophobicContact CB-CB 4.16Å; L30-K78 WeakPolarHBondContact O-CD 3.29Å; L65-K78 WeakPolarHBondContact O-CA 3.37Å; Q66-K78 HydrophobicContact CB-CD 4.47Å; Q66-K78 HydrophobicContact CG-CB 3.93Å; Q66-K78 HydrophobicContact CG-CD 4.34Å; Q66-K78 HydrophobicContact CG-CG 4.33Å; S76-K78 PolarHBondContact O-N 2.9Å | ||
| 79 | V | 82.3 | Confident | 72.7 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 4% | 0.036 | 41% | 0.414 | C | S | . | . | trans | -78.7 | 133.2 | -173 | -172 | 0 | 0 | 0 | 0 | 113.2 | L40 T44 I48 S62 L65 E77 C83 V84 | L40-V79 HydrophobicContact CD2-CB 4.25Å; L40-V79 HydrophobicContact CD2-CG1 3.67Å; L40-V79 HydrophobicContact CD2-CG2 3.54Å; T44-V79 HydrophobicContact CG2-CG2 3.5Å; T44-V79 VanDerWaalsContact CG2-CG2 3.5Å; I48-V79 HydrophobicContact CD1-CG1 4.13Å; I48-V79 HydrophobicContact CD1-CG2 4.3Å; S62-V79 PolarHBondContact OG-O 2.9Å; L65-V79 HydrophobicContact CD1-CB 4.21Å; L65-V79 HydrophobicContact CD1-CG2 4.07Å; E77-V79 VanDerWaalsContact O-CG2 3.24Å; E77-V79 WeakPolarHBondContact O-CG2 3.47Å; E77-V79 PolarHBondContact O-N 3.02Å; V79-C83 HydrophobicContact CG1-CB 3.71Å; V79-V84 HydrophobicContact CB-CG2 4.22Å; V79-V84 HydrophobicContact CG1-CG2 3.78Å | ||
| 80 | S | 85.6 | Confident | 74.7 | Confident | 57 Ų | 57 | 73.1 Ų | 73.1 | 40% | 0.399 | 41% | 0.407 | S | S | . | . | trans | -71.3 | 142.3 | 174.6 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | G82 C83 V84 | S80-G82 VanDerWaalsContact C-N 3.28Å; S80-G82 PolarHBondContact O-N 3.45Å; S80-C83 WeakPolarHBondContact O-CA 3.46Å; S80-C83 VanDerWaalsContact O-CB 3.27Å; S80-C83 WeakPolarHBondContact O-CB 3.48Å; S80-C83 PolarHBondContact O-N 3.17Å; S80-V84 PolarHBondContact O-N 3.04Å; S80-V84 VanDerWaalsContact O-N 3.07Å | ||
| 81 | N | 88 | Confident | 76.8 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.1 | -39.8 | -177.7 | -175.2 | -30 | 0 | 0 | 0 | 113.2 | S62 C83 V84 S85 | S62-N81 PolarHBondContact OG-N 2.88Å; N81-C83 PolarHBondContact O-N 3.35Å; N81-V84 PolarHBondContact O-N 2.8Å; N81-S85 WeakPolarHBondContact O-CB 3.46Å; N81-S85 PolarHBondContact O-N 3.1Å; N81-S85 PolarHBondContact O-OG 3.36Å; N81-S85 VanDerWaalsContact O-OG 3.11Å; N81-S85 PolarHBondContact OD1-OG 3.47Å |
| 82 | G | 88.7 | Confident | 78.9 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 55% | 0.546 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -21.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S80 K86 | S80-G82 VanDerWaalsContact C-N 3.28Å; S80-G82 PolarHBondContact O-N 3.45Å; G82-K86 VanDerWaalsContact O-CB 3.32Å; G82-K86 WeakPolarHBondContact O-CB 3.43Å; G82-K86 PolarHBondContact O-N 2.95Å |
| 83 | C | 89.3 | Confident | 81.3 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -81 | -47.1 | 170.3 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | V79 S80 N81 S85 K86 I87 | V79-C83 HydrophobicContact CG1-CB 3.71Å; S80-C83 WeakPolarHBondContact O-CA 3.46Å; S80-C83 VanDerWaalsContact O-CB 3.27Å; S80-C83 WeakPolarHBondContact O-CB 3.48Å; S80-C83 PolarHBondContact O-N 3.17Å; N81-C83 PolarHBondContact O-N 3.35Å; C83-S85 PolarHBondContact O-N 3.08Å; C83-K86 PolarHBondContact O-N 2.97Å; C83-K86 VanDerWaalsContact O-N 3.12Å; C83-I87 WeakPolarHBondContact O-CG1 3.4Å; C83-I87 PolarHBondContact O-N 3.3Å |
| 84 | V | 91.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -51.6 | -53.1 | 174 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | I48 P58 I61 V79 S80 N81 K86 I87 L88 | I48-V84 HydrophobicContact CD1-CG2 4.24Å; I48-V84 HydrophobicContact CG1-CG2 4.39Å; I48-V84 HydrophobicContact CG2-CG1 4.05Å; P58-V84 HydrophobicContact CB-CG1 4.1Å; I61-V84 HydrophobicContact CB-CG1 4.08Å; I61-V84 HydrophobicContact CD1-CG1 4.43Å; I61-V84 HydrophobicContact CG2-CG1 3.79Å; I61-V84 HydrophobicContact CG2-CG2 4.34Å; V79-V84 HydrophobicContact CB-CG2 4.22Å; V79-V84 HydrophobicContact CG1-CG2 3.78Å; S80-V84 PolarHBondContact O-N 3.04Å; S80-V84 VanDerWaalsContact O-N 3.07Å; N81-V84 PolarHBondContact O-N 2.8Å; V84-K86 VanDerWaalsContact C-N 3.31Å; V84-K86 PolarHBondContact O-N 3.5Å; V84-I87 PolarHBondContact O-N 2.81Å; V84-I87 VanDerWaalsContact O-N 3.16Å; V84-L88 HydrophobicContact CG1-CD1 3.84Å; V84-L88 HydrophobicContact CG1-CG 4.42Å; V84-L88 WeakPolarHBondContact O-CG 3.33Å; V84-L88 PolarHBondContact O-N 3Å |
| 85 | S | 93 | Very high | 85.5 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | N81 C83 G89 | N81-S85 WeakPolarHBondContact O-CB 3.46Å; N81-S85 PolarHBondContact O-N 3.1Å; N81-S85 PolarHBondContact O-OG 3.36Å; N81-S85 VanDerWaalsContact O-OG 3.11Å; N81-S85 PolarHBondContact OD1-OG 3.47Å; C83-S85 PolarHBondContact O-N 3.08Å; S85-G89 PolarHBondContact O-N 3.06Å |
| 86 | K | 92.7 | Very high | 87.4 | Confident | 157 Ų | 157 | 55.9 Ų | 55.9 | 68% | 0.683 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.8 | -30.3 | 178 | -173.3 | 176.7 | -63.4 | 179.7 | 0 | 112.9 | G82 C83 V84 R90 | G82-K86 VanDerWaalsContact O-CB 3.32Å; G82-K86 WeakPolarHBondContact O-CB 3.43Å; G82-K86 PolarHBondContact O-N 2.95Å; C83-K86 PolarHBondContact O-N 2.97Å; C83-K86 VanDerWaalsContact O-N 3.12Å; V84-K86 VanDerWaalsContact C-N 3.31Å; V84-K86 PolarHBondContact O-N 3.5Å; K86-R90 WeakPolarHBondContact O-CB 3.47Å; K86-R90 WeakPolarHBondContact O-CG 3.47Å; K86-R90 PolarHBondContact O-N 3.35Å |
| 87 | I | 92.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.2 | -47.5 | 173.7 | -70.1 | 158.5 | 0 | 0 | 0 | 110 | L40 R45 I48 C83 V84 R90 Y91 | L40-I87 HydrophobicContact CD2-CD1 4.46Å; R45-I87 HydrophobicContact CG-CD1 3.93Å; I48-I87 HydrophobicContact CD1-CD1 3.61Å; I48-I87 HydrophobicContact CG2-CB 4.32Å; I48-I87 HydrophobicContact CG2-CG2 3.9Å; C83-I87 WeakPolarHBondContact O-CG1 3.4Å; C83-I87 PolarHBondContact O-N 3.3Å; V84-I87 PolarHBondContact O-N 2.81Å; V84-I87 VanDerWaalsContact O-N 3.16Å; I87-R90 WeakPolarHBondContact O-CB 3.44Å; I87-R90 PolarHBondContact O-N 3.18Å; I87-Y91 WeakPolarHBondContact O-CB 3.23Å; I87-Y91 PolarHBondContact O-N 3.1Å |
| 88 | L | 93.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66 | -43.8 | -178.3 | -68.5 | 176 | 0 | 0 | 0 | 112.8 | I48 V49 A52 P58 I61 V84 R90 Y91 Y92 | I48-L88 HydrophobicContact CG2-CD1 4.37Å; I48-L88 HydrophobicContact CG2-CD2 3.74Å; I48-L88 HydrophobicContact CG2-CG 3.8Å; V49-L88 HydrophobicContact CG2-CD2 4.14Å; A52-L88 HydrophobicContact CB-CD1 4.06Å; A52-L88 HydrophobicContact CB-CD2 3.54Å; A52-L88 HydrophobicContact CB-CG 4.48Å; P58-L88 HydrophobicContact CB-CD1 4.44Å; P58-L88 HydrophobicContact CG-CD1 4.05Å; I61-L88 HydrophobicContact CD1-CD1 3.88Å; V84-L88 HydrophobicContact CG1-CD1 3.84Å; V84-L88 HydrophobicContact CG1-CG 4.42Å; V84-L88 WeakPolarHBondContact O-CG 3.33Å; V84-L88 PolarHBondContact O-N 3Å; L88-R90 PolarHBondContact O-N 3.28Å; L88-Y91 WeakPolarHBondContact O-CB 3.36Å; L88-Y91 PolarHBondContact O-N 3.18Å; L88-Y91 VanDerWaalsContact O-N 3.08Å; L88-Y92 HydrophobicContact CB-CD2 4.49Å; L88-Y92 HydrophobicContact CB-CE2 4.02Å; L88-Y92 WeakPolarHBondContact O-CD2 3.39Å; L88-Y92 PolarHBondContact O-N 3.02Å |
| 89 | G | 93 | Very high | 91 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.9 | -50 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S85 Y91 Y92 E93 | S85-G89 PolarHBondContact O-N 3.06Å; G89-Y91 PolarHBondContact O-N 3.3Å; G89-Y92 PolarHBondContact O-N 3.45Å; G89-E93 WeakPolarHBondContact O-CB 3.46Å; G89-E93 VanDerWaalsContact O-CG 3.24Å; G89-E93 WeakPolarHBondContact O-CG 3.22Å; G89-E93 PolarHBondContact O-N 2.94Å |
| 90 | R | 93.4 | Very high | 91.2 | Very high | 45 Ų | 45 | 69.8 Ų | 69.8 | 17% | 0.17 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.7 | -31.9 | 173.8 | -89.9 | -83.9 | -63.9 | 104 | 10.6 | 114 | K86 I87 L88 T94 R98 | K86-R90 WeakPolarHBondContact O-CB 3.47Å; K86-R90 WeakPolarHBondContact O-CG 3.47Å; K86-R90 PolarHBondContact O-N 3.35Å; I87-R90 WeakPolarHBondContact O-CB 3.44Å; I87-R90 PolarHBondContact O-N 3.18Å; L88-R90 PolarHBondContact O-N 3.28Å; R90-T94 VanDerWaalsContact NH1-CG2 3.3Å; R90-T94 PolarHBondContact NH1-OG1 3.3Å; R90-T94 PolarHBondContact O-N 3.26Å; R90-T94 PolarHBondContact O-OG1 3.47Å; R90-R98 PolarHBondContact NH2-O 2.81Å |
| 91 | Y | 94.8 | Very high | 91.1 | Very high | 51 Ų | 51 | 72.1 Ų | 72.1 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -73.3 | -50.1 | 177.3 | 178.2 | -102.5 | 0 | 0 | 0 | 110.8 | V49 H53 I87 L88 G89 E93 T94 G95 I97 | V49-Y91 HydrophobicContact CG1-CD1 3.91Å; V49-Y91 HydrophobicContact CG1-CD2 4.17Å; V49-Y91 HydrophobicContact CG1-CE1 3.6Å; V49-Y91 HydrophobicContact CG1-CE2 3.88Å; V49-Y91 HydrophobicContact CG1-CG 4.19Å; V49-Y91 HydrophobicContact CG2-CD1 4.08Å; V49-Y91 HydrophobicContact CG2-CD2 3.95Å; V49-Y91 HydrophobicContact CG2-CE2 4.47Å; V49-Y91 HydrophobicContact CG2-CG 3.75Å; H53-Y91 AromaticContact CE1-CE1 3.64Å; H53-Y91 AromaticContact CE1-CZ 3.8Å; H53-Y91 PolarHBondContact CE1-OH 3.42Å; H53-Y91 AromaticContact NE2-CE1 3.53Å; I87-Y91 WeakPolarHBondContact O-CB 3.23Å; I87-Y91 PolarHBondContact O-N 3.1Å; L88-Y91 WeakPolarHBondContact O-CB 3.36Å; L88-Y91 PolarHBondContact O-N 3.18Å; L88-Y91 VanDerWaalsContact O-N 3.08Å; G89-Y91 PolarHBondContact O-N 3.3Å; Y91-E93 VanDerWaalsContact C-N 3.28Å; Y91-E93 PolarHBondContact O-N 3.45Å; Y91-T94 PolarHBondContact O-N 3.14Å; Y91-G95 WeakPolarHBondContact CE2-O 3.42Å; Y91-G95 VanDerWaalsContact O-CA 3.27Å; Y91-G95 WeakPolarHBondContact O-CA 3.49Å; Y91-G95 PolarHBondContact O-N 3.38Å; Y91-I97 HydrophobicContact CD2-CG2 3.82Å; Y91-I97 HydrophobicContact CE2-CG2 3.87Å |
| 92 | Y | 94 | Very high | 90.6 | Very high | 147 Ų | 147 | 74.6 Ų | 74.6 | 58% | 0.576 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.7 | -30.8 | 176.9 | -58.1 | -47 | 0 | 0 | 0 | 112.9 | L88 G89 | L88-Y92 HydrophobicContact CB-CD2 4.49Å; L88-Y92 HydrophobicContact CB-CE2 4.02Å; L88-Y92 WeakPolarHBondContact O-CD2 3.39Å; L88-Y92 PolarHBondContact O-N 3.02Å; G89-Y92 PolarHBondContact O-N 3.45Å |
| 93 | E | 93.6 | Very high | 89.9 | Confident | 136 Ų | 136 | 75.2 Ų | 75.2 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.9 | -35.5 | 172.6 | -77.7 | 168 | -166.6 | 0 | 0 | 114.4 | G89 Y91 | G89-E93 WeakPolarHBondContact O-CB 3.46Å; G89-E93 VanDerWaalsContact O-CG 3.24Å; G89-E93 WeakPolarHBondContact O-CG 3.22Å; G89-E93 PolarHBondContact O-N 2.94Å; Y91-E93 VanDerWaalsContact C-N 3.28Å; Y91-E93 PolarHBondContact O-N 3.45Å |
| 94 | T | 91.6 | Very high | 89.2 | Confident | 68 Ų | 68 | 77.9 Ų | 77.9 | 42% | 0.417 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -139.4 | 3.3 | -164 | 87.7 | 0 | 0 | 0 | 0 | 116 | R90 Y91 S96 | R90-T94 VanDerWaalsContact NH1-CG2 3.3Å; R90-T94 PolarHBondContact NH1-OG1 3.3Å; R90-T94 PolarHBondContact O-N 3.26Å; R90-T94 PolarHBondContact O-OG1 3.47Å; Y91-T94 PolarHBondContact O-N 3.14Å; T94-S96 PolarHBondContact O-N 3.11Å; T94-S96 WeakPolarHBondContact OG1-CB 3.45Å; T94-S96 PolarHBondContact OG1-N 3.19Å |
| 95 | G | 91.9 | Very high | 88.5 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 57% | 0.567 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 58.8 | 3.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y91 | Y91-G95 WeakPolarHBondContact CE2-O 3.42Å; Y91-G95 VanDerWaalsContact O-CA 3.27Å; Y91-G95 WeakPolarHBondContact O-CA 3.49Å; Y91-G95 PolarHBondContact O-N 3.38Å |
| 96 | S | 91.2 | Very high | 87.7 | Confident | 46 Ų | 46 | 89.9 Ų | 89.9 | 32% | 0.322 | 50% | 0.504 | S | S | . | . | trans | -109.6 | 109.3 | -163.7 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | T94 R98 | T94-S96 PolarHBondContact O-N 3.11Å; T94-S96 WeakPolarHBondContact OG1-CB 3.45Å; T94-S96 PolarHBondContact OG1-N 3.19Å; S96-R98 PolarHBondContact O-N 2.87Å; S96-R98 PolarHBondContact OG-N 3.47Å | ||
| 97 | I | 90.6 | Very high | 86.7 | Confident | 47 Ų | 47 | 86.7 Ų | 86.7 | 24% | 0.241 | 50% | 0.499 | C | S | . | . | trans | -65.6 | -9.7 | 171.5 | 71.2 | 176.5 | 0 | 0 | 0 | 112.9 | R45 Q46 V49 Y91 | R45-I97 PolarHBondContact NH1-O 3.41Å; R45-I97 PolarHBondContact NH2-O 3.3Å; Q46-I97 HydrophobicContact CB-CD1 4.48Å; Q46-I97 VanDerWaalsContact OE1-CD1 3.3Å; V49-I97 HydrophobicContact CG2-CG2 4.22Å; Y91-I97 HydrophobicContact CD2-CG2 3.82Å; Y91-I97 HydrophobicContact CE2-CG2 3.87Å | ||
| 98 | R | 90.2 | Very high | 86.1 | Confident | 174 Ų | 174 | 97.1 Ų | 97.1 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -80 | 151.2 | -174.1 | -65.2 | -177.8 | 72.8 | -155.2 | 4.4 | 112.5 | R90 S96 | R90-R98 PolarHBondContact NH2-O 2.81Å; S96-R98 PolarHBondContact O-N 2.87Å; S96-R98 PolarHBondContact OG-N 3.47Å |
| 99 | P | 89.1 | Confident | 85.5 | Confident | 51 Ų | 51 | 99.4 Ų | 99.4 | 33% | 0.331 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -73.3 | 153.2 | 177.5 | 31.1 | -30.5 | 0 | 0 | 0 | 109.9 | P39 R45 | P39-P99 HydrophobicContact CB-CB 3.72Å; P39-P99 HydrophobicContact CB-CG 4.14Å; P39-P99 HydrophobicContact CG-CB 4.13Å; P39-P99 HydrophobicContact CG-CG 4.08Å; R45-P99 VanDerWaalsContact NH1-CD 3.28Å |
| 100 | R | 86.5 | Confident | 85.3 | Confident | 173 Ų | 173 | 99.2 Ų | 99.2 | 65% | 0.653 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 145.5 | 167.6 | -71.7 | -175.2 | -179.4 | -96.8 | 3.6 | 108.3 | I102 | R100-I102 WeakPolarHBondContact O-CG1 3.46Å; R100-I102 PolarHBondContact O-N 3.29Å |
| 101 | A | 83.5 | Confident | 85.2 | Confident | 106 Ų | 106 | 99.6 Ų | 99.6 | 88% | 0.876 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 123.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 102 | I | 78.6 | Confident | 85.1 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -98 | 126.3 | -178.5 | -53.1 | -174.9 | 0 | 0 | 0 | 108.7 | R100 | R100-I102 WeakPolarHBondContact O-CG1 3.46Å; R100-I102 PolarHBondContact O-N 3.29Å |
| 103 | G | 74.2 | Confident | 85 | Confident | 67 Ų | 67 | 101.7 Ų | 101.7 | 69% | 0.691 | 58% | 0.581 | S | S | * | * | trans | 84.3 | -163 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 104 | G | 73.6 | Confident | 85.1 | Confident | 86 Ų | 86 | 95.5 Ų | 95.5 | 89% | 0.887 | 55% | 0.553 | S | S | * | * | trans | 79.3 | 172.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 105 | S | 76.4 | Confident | 85.3 | Confident | 114 Ų | 114 | 94 Ų | 94 | 80% | 0.797 | 54% | 0.544 | S | S | * | . | trans | -133.5 | 144.4 | 178.1 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 106 | K | 76.6 | Confident | 85.5 | Confident | 191 Ų | 191 | 94.1 Ų | 94.1 | 83% | 0.83 | 54% | 0.539 | S | S | * | . | trans | -65 | 140.1 | 174.8 | -66.8 | -174 | 179.5 | -178.8 | 0 | 109.6 | R108 | K106-R108 PolarHBondContact O-N 2.99Š| ||
| 107 | P | 72.9 | Confident | 85.8 | Confident | 91 Ų | 91 | 94 Ų | 94 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | trans | -59.7 | 110.2 | 178.3 | -24.9 | 34.8 | 0 | 0 | 0 | 112.3 | A110 | P107-A110 HydrophobicContact CB-CB 4.39Å; P107-A110 WeakPolarHBondContact CB-O 3.44Å | ||
| 108 | R | 77.8 | Confident | 86.1 | Confident | 233 Ų | 233 | 91.9 Ų | 91.9 | 88% | 0.879 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -76 | -32.4 | -177.5 | -66.8 | -174.7 | 66.3 | -167.1 | -0.9 | 114.6 | K106 | K106-R108 PolarHBondContact O-N 2.99Š|
| 109 | V | 82.8 | Confident | 86.4 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 32% | 0.321 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -132.9 | 1.7 | -172.7 | -60.7 | 0 | 0 | 0 | 0 | 113.2 | N147 P149 | V109-N147 VanDerWaalsContact CB-O 3.3Å; V109-N147 WeakPolarHBondContact CB-O 3.48Å; V109-N147 WeakPolarHBondContact CG1-O 3.44Å; V109-P149 HydrophobicContact CG2-CB 4.31Å; V109-P149 WeakPolarHBondContact O-CD 3.25Å |
| 110 | A | 87.9 | Confident | 86.7 | Confident | 27 Ų | 27 | 85.3 Ų | 85.3 | 22% | 0.223 | 50% | 0.498 | C | S | . | . | trans | -122.2 | 61.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | P107 V115 V157 | P107-A110 HydrophobicContact CB-CB 4.39Å; P107-A110 WeakPolarHBondContact CB-O 3.44Å; A110-V115 HydrophobicContact CB-CG2 4.22Å; A110-V157 HydrophobicContact CB-CG2 4.22Å | ||
| 111 | T | 91.5 | Very high | 87.2 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 32% | 0.319 | 47% | 0.467 | S | S | . | . | trans | -64.8 | 157.8 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 109.9 | E113 V114 V115 | T111-E113 PolarHBondContact O-N 3.39Å; T111-V114 PolarHBondContact O-N 3.19Å; T111-V114 VanDerWaalsContact O-N 3.17Å; T111-V114 VanDerWaalsContact OG1-CG2 3.27Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.46Å; T111-V114 PolarHBondContact OG1-N 3.25Å; T111-V115 WeakPolarHBondContact O-CG2 3.35Å; T111-V115 PolarHBondContact O-N 3.27Å | ||
| 112 | P | 92 | Very high | 87.8 | Confident | 114 Ų | 114 | 75.4 Ų | 75.4 | 74% | 0.74 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55.2 | -38.3 | -179.6 | -27.5 | 36.2 | 0 | 0 | 0 | 113.4 | V115 A116 | P112-V115 PolarHBondContact O-N 3.16Å; P112-A116 WeakPolarHBondContact O-CB 3.42Å; P112-A116 PolarHBondContact O-N 3.05Å |
| 113 | E | 93.1 | Very high | 88.6 | Confident | 128 Ų | 128 | 78.4 Ų | 78.4 | 60% | 0.598 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.3 | -50 | 175.5 | -179.3 | 179.9 | -167.2 | 0 | 0 | 112.8 | T111 V115 A116 K117 | T111-E113 PolarHBondContact O-N 3.39Å; E113-V115 VanDerWaalsContact C-N 3.28Å; E113-V115 PolarHBondContact O-N 3.08Å; E113-A116 WeakPolarHBondContact O-CB 3.49Å; E113-A116 PolarHBondContact O-N 3.5Å; E113-A116 VanDerWaalsContact O-N 3.13Å; E113-K117 PolarHBondContact O-N 3.12Å |
| 114 | V | 95.4 | Very high | 89.6 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 4% | 0.036 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | T111 K117 I118 L137 I142 P149 | T111-V114 PolarHBondContact O-N 3.19Å; T111-V114 VanDerWaalsContact O-N 3.17Å; T111-V114 VanDerWaalsContact OG1-CG2 3.27Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.46Å; T111-V114 PolarHBondContact OG1-N 3.25Å; V114-K117 PolarHBondContact O-N 2.94Å; V114-I118 HydrophobicContact CG1-CD1 3.85Å; V114-I118 HydrophobicContact CG1-CG1 4.48Å; V114-I118 WeakPolarHBondContact O-CB 3.35Å; V114-I118 WeakPolarHBondContact O-CD1 3.45Å; V114-I118 WeakPolarHBondContact O-CG1 3.35Å; V114-I118 PolarHBondContact O-N 3.28Å; V114-L137 HydrophobicContact CG1-CD1 4.11Å; V114-L137 HydrophobicContact CG1-CD2 4.43Å; V114-I142 HydrophobicContact CG2-CG2 4.11Å; V114-P149 HydrophobicContact CG1-CG 3.84Å |
| 115 | V | 95.9 | Very high | 90.5 | Very high | 37 Ų | 37 | 78 Ų | 78 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.2 | 171 | 0 | 0 | 0 | 0 | 111.5 | A110 T111 P112 E113 I118 A119 V157 L161 | A110-V115 HydrophobicContact CB-CG2 4.22Å; T111-V115 WeakPolarHBondContact O-CG2 3.35Å; T111-V115 PolarHBondContact O-N 3.27Å; P112-V115 PolarHBondContact O-N 3.16Å; E113-V115 VanDerWaalsContact C-N 3.28Å; E113-V115 PolarHBondContact O-N 3.08Å; V115-I118 PolarHBondContact O-N 2.93Å; V115-A119 WeakPolarHBondContact O-CB 3.2Å; V115-A119 PolarHBondContact O-N 3.46Å; V115-V157 HydrophobicContact CB-CG1 4.29Å; V115-V157 HydrophobicContact CG1-CG1 3.92Å; V115-V157 HydrophobicContact CG2-CG1 3.97Å; V115-V157 HydrophobicContact CG2-CG2 4.17Å; V115-L161 HydrophobicContact CG1-CD1 4.36Å; V115-L161 HydrophobicContact CG1-CD2 4.1Å; V115-L161 HydrophobicContact CG1-CG 4.5Å |
| 116 | A | 95.9 | Very high | 91.3 | Very high | 58 Ų | 58 | 77.1 Ų | 77.1 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P112 E113 A119 Q120 | P112-A116 WeakPolarHBondContact O-CB 3.42Å; P112-A116 PolarHBondContact O-N 3.05Å; E113-A116 WeakPolarHBondContact O-CB 3.49Å; E113-A116 PolarHBondContact O-N 3.5Å; E113-A116 VanDerWaalsContact O-N 3.13Å; A116-A119 WeakPolarHBondContact O-CB 3.42Å; A116-A119 PolarHBondContact O-N 3.02Å; A116-Q120 WeakPolarHBondContact O-CB 3.47Å; A116-Q120 PolarHBondContact O-N 3.49Å |
| 117 | K | 96.9 | Very high | 92.1 | Very high | 44 Ų | 44 | 72.8 Ų | 72.8 | 19% | 0.191 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 174.2 | -82.1 | -80.7 | -169.3 | 169 | 0 | 112.7 | E113 V114 A119 Q120 Y121 L137 E140 I142 | E113-K117 PolarHBondContact O-N 3.12Å; V114-K117 PolarHBondContact O-N 2.94Å; K117-A119 VanDerWaalsContact C-N 3.3Å; K117-A119 PolarHBondContact O-N 3.21Å; K117-Q120 PolarHBondContact O-N 3.31Å; K117-Y121 HydrophobicContact CD-CE1 3.8Å; K117-Y121 VanDerWaalsContact O-CG 3.31Å; K117-Y121 PolarHBondContact O-N 3.04Å; K117-L137 HydrophobicContact CB-CD2 3.88Å; K117-E140 IonicContact NZ-OE2 2.85Å; K117-E140 PolarHBondContact NZ-OE2 3.11Å; K117-I142 HydrophobicContact CB-CG2 4.3Å; K117-I142 HydrophobicContact CD-CD1 4.31Å; K117-I142 HydrophobicContact CD-CG1 4.17Å; K117-I142 HydrophobicContact CG-CD1 4.37Å; K117-I142 HydrophobicContact CG-CG1 4.14Å; K117-I142 HydrophobicContact CG-CG2 4.02Å |
| 118 | I | 96.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 171.2 | -71.1 | 165 | 0 | 0 | 0 | 110.8 | V114 V115 K122 I133 L137 P149 I154 V157 L158 | V114-I118 HydrophobicContact CG1-CD1 3.85Å; V114-I118 HydrophobicContact CG1-CG1 4.48Å; V114-I118 WeakPolarHBondContact O-CB 3.35Å; V114-I118 WeakPolarHBondContact O-CD1 3.45Å; V114-I118 WeakPolarHBondContact O-CG1 3.35Å; V114-I118 PolarHBondContact O-N 3.28Å; V115-I118 PolarHBondContact O-N 2.93Å; I118-K122 WeakPolarHBondContact O-CB 3.04Å; I118-K122 PolarHBondContact O-N 3.34Å; I118-I133 HydrophobicContact CB-CG2 4.44Å; I118-I133 HydrophobicContact CG1-CG2 3.82Å; I118-I133 HydrophobicContact CG2-CG2 4.46Å; I118-L137 HydrophobicContact CD1-CD1 4.23Å; I118-L137 HydrophobicContact CG1-CD1 3.93Å; I118-P149 HydrophobicContact CD1-CG 4.42Å; I118-I154 HydrophobicContact CD1-CG1 4.13Å; I118-I154 HydrophobicContact CD1-CG2 4.43Å; I118-I154 HydrophobicContact CG2-CG2 4.26Å; I118-V157 HydrophobicContact CB-CG1 4.29Å; I118-V157 HydrophobicContact CD1-CB 4.41Å; I118-V157 HydrophobicContact CD1-CG1 4.13Å; I118-V157 HydrophobicContact CG2-CB 4.5Å; I118-V157 HydrophobicContact CG2-CG1 3.84Å; I118-L158 HydrophobicContact CG2-CD2 3.56Å; I118-L158 HydrophobicContact CG2-CG 3.92Å |
| 119 | A | 96.4 | Very high | 94 | Very high | 23 Ų | 23 | 62 Ų | 62 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V115 A116 K117 R123 L161 | V115-A119 WeakPolarHBondContact O-CB 3.2Å; V115-A119 PolarHBondContact O-N 3.46Å; A116-A119 WeakPolarHBondContact O-CB 3.42Å; A116-A119 PolarHBondContact O-N 3.02Å; K117-A119 VanDerWaalsContact C-N 3.3Å; K117-A119 PolarHBondContact O-N 3.21Å; A119-R123 WeakPolarHBondContact O-CB 3.41Å; A119-R123 PolarHBondContact O-N 2.92Å; A119-L161 HydrophobicContact CB-CD1 3.78Å; A119-L161 HydrophobicContact CB-CD2 4.5Å |
| 120 | Q | 96.8 | Very high | 94.6 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.3 | -55.8 | 176.5 | 174.6 | 177.2 | -3.9 | 0 | 0 | 111.5 | A116 K117 K122 R123 E124 | A116-Q120 WeakPolarHBondContact O-CB 3.47Å; A116-Q120 PolarHBondContact O-N 3.49Å; K117-Q120 PolarHBondContact O-N 3.31Å; Q120-K122 PolarHBondContact O-N 2.89Å; Q120-R123 WeakPolarHBondContact O-CA 3.39Å; Q120-R123 WeakPolarHBondContact O-CB 3.43Å; Q120-R123 PolarHBondContact O-N 2.95Å; Q120-E124 HydrophobicContact CG-CG 4.38Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.33Å; Q120-E124 PolarHBondContact NE2-OE1 3.44Å; Q120-E124 WeakPolarHBondContact O-CG 3.43Å; Q120-E124 PolarHBondContact O-N 3.46Å |
| 121 | Y | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -33.9 | -177.7 | -57.2 | -17.6 | 0 | 0 | 0 | 112 | K117 C125 I133 R136 L137 E140 | K117-Y121 HydrophobicContact CD-CE1 3.8Å; K117-Y121 VanDerWaalsContact O-CG 3.31Å; K117-Y121 PolarHBondContact O-N 3.04Å; Y121-C125 PolarHBondContact O-N 2.88Å; Y121-I133 HydrophobicContact CD2-CG1 4.5Å; Y121-I133 HydrophobicContact CD2-CG2 4.18Å; Y121-R136 HydrophobicContact CD2-CB 4.11Å; Y121-R136 HydrophobicContact CD2-CG 4.1Å; Y121-R136 HydrophobicContact CE1-CG 4.22Å; Y121-R136 HydrophobicContact CE2-CB 3.75Å; Y121-R136 HydrophobicContact CE2-CG 3.63Å; Y121-R136 PolarHBondContact OH-O 2.89Å; Y121-L137 HydrophobicContact CE2-CD2 4Å; Y121-L137 HydrophobicContact CE2-CG 4.02Å; Y121-E140 WeakPolarHBondContact CE1-OE1 3.39Å; Y121-E140 PolarHBondContact OH-OE1 2.62Å; Y121-E140 PolarHBondContact OH-OE2 3.28Å; Y121-E140 VanDerWaalsContact OH-OE2 3.06Å |
| 122 | K | 95.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -75.8 | -22.2 | 176.4 | -163.9 | 57.4 | 162.9 | 173.7 | 0 | 113.7 | I118 Q120 P126 I128 L158 | I118-K122 WeakPolarHBondContact O-CB 3.04Å; I118-K122 PolarHBondContact O-N 3.34Å; Q120-K122 PolarHBondContact O-N 2.89Å; K122-P126 WeakPolarHBondContact CE-O 3.47Å; K122-P126 PolarHBondContact NZ-O 3.38Å; K122-P126 WeakPolarHBondContact O-CA 3.17Å; K122-I128 HydrophobicContact CD-CG2 3.74Å; K122-I128 PolarHBondContact NZ-O 3.42Å; K122-L158 HydrophobicContact CB-CD2 3.89Å; K122-L158 HydrophobicContact CG-CD2 3.87Å |
| 123 | R | 95.6 | Very high | 95.4 | Very high | 186 Ų | 186 | 54.7 Ų | 54.7 | 70% | 0.702 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -78.1 | -43.7 | 172 | -168.3 | -168.7 | -56.4 | 123 | 0.5 | 111.2 | A119 Q120 | A119-R123 WeakPolarHBondContact O-CB 3.41Å; A119-R123 PolarHBondContact O-N 2.92Å; Q120-R123 WeakPolarHBondContact O-CA 3.39Å; Q120-R123 WeakPolarHBondContact O-CB 3.43Å; Q120-R123 PolarHBondContact O-N 2.95Å |
| 124 | E | 95.6 | Very high | 95.6 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 43% | 0.425 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 175.4 | -69.8 | 169.9 | -172.7 | 0 | 0 | 111.7 | Q120 R136 | Q120-E124 HydrophobicContact CG-CG 4.38Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.33Å; Q120-E124 PolarHBondContact NE2-OE1 3.44Å; Q120-E124 WeakPolarHBondContact O-CG 3.43Å; Q120-E124 PolarHBondContact O-N 3.46Å; E124-R136 IonicContact OE2-CZ 2.62Å; E124-R136 VanDerWaalsContact OE2-CZ 3.24Å; E124-R136 IonicContact OE2-NH1 3.57Å; E124-R136 PolarHBondContact OE2-NH1 3.13Å; E124-R136 IonicContact OE2-NH2 2.9Å; E124-R136 PolarHBondContact OE2-NH2 3.08Å |
| 125 | C | 92.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 55.7 Ų | 55.7 | 37% | 0.365 | 29% | 0.289 | S | S | . | . | trans | -129 | 87.4 | -179 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | Y121 S127 I128 | Y121-C125 PolarHBondContact O-N 2.88Å; C125-S127 PolarHBondContact O-N 2.92Å; C125-I128 HydrophobicContact CB-CB 3.96Å; C125-I128 HydrophobicContact CB-CG2 4.4Å; C125-I128 WeakPolarHBondContact O-CB 3.28Å; C125-I128 WeakPolarHBondContact O-CG2 3.45Å; C125-I128 PolarHBondContact O-N 3.39Å | ||
| 126 | P | 93.8 | Very high | 95.7 | Very high | 96 Ų | 96 | 57 Ų | 57 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -23 | 178.5 | -28.9 | 36.9 | 0 | 0 | 0 | 114.6 | K122 | K122-P126 WeakPolarHBondContact CE-O 3.47Å; K122-P126 PolarHBondContact NZ-O 3.38Å; K122-P126 WeakPolarHBondContact O-CA 3.17Å |
| 127 | S | 93.4 | Very high | 95.7 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 69% | 0.692 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.6 | 174.5 | 51.5 | 0 | 0 | 0 | 0 | 115 | C125 F129 | C125-S127 PolarHBondContact O-N 2.92Å; S127-F129 PolarHBondContact O-N 3.36Å |
| 128 | I | 93.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | trans | -61 | 135.5 | -170.3 | -161.2 | 173.5 | 0 | 0 | 0 | 112.4 | K122 C125 E132 I133 | K122-I128 HydrophobicContact CD-CG2 3.74Å; K122-I128 PolarHBondContact NZ-O 3.42Å; C125-I128 HydrophobicContact CB-CB 3.96Å; C125-I128 HydrophobicContact CB-CG2 4.4Å; C125-I128 WeakPolarHBondContact O-CB 3.28Å; C125-I128 WeakPolarHBondContact O-CG2 3.45Å; C125-I128 PolarHBondContact O-N 3.39Å; I128-E132 HydrophobicContact CD1-CB 4.04Å; I128-E132 HydrophobicContact CG1-CB 3.56Å; I128-I133 HydrophobicContact CD1-CG1 4Å; I128-I133 HydrophobicContact CG1-CG1 4.17Å; I128-I133 HydrophobicContact CG2-CD1 3.87Å; I128-I133 HydrophobicContact CG2-CG1 3.79Å | ||
| 129 | F | 96.2 | Very high | 95.7 | Very high | 81 Ų | 81 | 59 Ų | 59 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | trans | -83.5 | 153.8 | 177.7 | -67.7 | -79.5 | 0 | 0 | 0 | 111.8 | S127 W131 E132 I133 | S127-F129 PolarHBondContact O-N 3.36Å; F129-W131 VanDerWaalsContact CB-CD1 3.44Å; F129-W131 HydrophobicContact CB-CG 4.36Å; F129-W131 AromaticContact CG-NE1 3.79Å; F129-W131 PolarHBondContact O-N 3.04Å; F129-W131 VanDerWaalsContact O-N 3.08Å; F129-E132 HydrophobicContact CB-CG 4.49Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.47Å; F129-E132 PolarHBondContact N-OE2 3.5Å; F129-E132 PolarHBondContact O-N 2.97Å; F129-I133 PolarHBondContact O-N 2.93Å | ||
| 130 | A | 95.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -15.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R134 V151 I154 N155 | A130-R134 PolarHBondContact O-N 3.12Å; A130-V151 HydrophobicContact CB-CG1 3.89Å; A130-I154 HydrophobicContact CB-CB 4.25Å; A130-I154 HydrophobicContact CB-CG2 3.78Å; A130-I154 WeakPolarHBondContact O-CD1 3.39Å; A130-N155 WeakPolarHBondContact CB-ND2 3.34Å |
| 131 | W | 95.1 | Very high | 95.4 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -83.4 | -38.6 | 170.5 | 69.7 | -89.1 | 0 | 0 | 0 | 111.7 | F129 I133 R134 D135 V151 R298 | F129-W131 VanDerWaalsContact CB-CD1 3.44Å; F129-W131 HydrophobicContact CB-CG 4.36Å; F129-W131 AromaticContact CG-NE1 3.79Å; F129-W131 PolarHBondContact O-N 3.04Å; F129-W131 VanDerWaalsContact O-N 3.08Å; W131-I133 VanDerWaalsContact C-N 3.3Å; W131-I133 PolarHBondContact O-N 3.4Å; W131-R134 WeakPolarHBondContact O-CA 3.49Å; W131-R134 VanDerWaalsContact O-CB 3.28Å; W131-R134 WeakPolarHBondContact O-CB 3.45Å; W131-R134 PolarHBondContact O-N 3.32Å; W131-D135 WeakPolarHBondContact CZ3-OD2 3.49Å; W131-D135 VanDerWaalsContact O-CG 3.31Å; W131-D135 PolarHBondContact O-N 2.94Å; W131-V151 HydrophobicContact CB-CG2 4.22Å; W131-R298 HydrophobicContact CD2-CG 4.41Å; W131-R298 HydrophobicContact CE3-CG 4.34Å; W131-R298 HydrophobicContact CH2-CG 3.59Å; W131-R298 HydrophobicContact CZ2-CG 3.66Å; W131-R298 HydrophobicContact CZ3-CG 3.95Å |
| 132 | E | 96.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 62.7 Ų | 62.7 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 172.8 | -67.8 | 158.1 | 169.3 | 0 | 0 | 111.1 | I128 F129 R134 D135 R136 | I128-E132 HydrophobicContact CD1-CB 4.04Å; I128-E132 HydrophobicContact CG1-CB 3.56Å; F129-E132 HydrophobicContact CB-CG 4.49Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.47Å; F129-E132 PolarHBondContact N-OE2 3.5Å; F129-E132 PolarHBondContact O-N 2.97Å; E132-R134 VanDerWaalsContact C-N 3.35Å; E132-D135 PolarHBondContact O-N 2.98Å; E132-R136 VanDerWaalsContact O-CB 3.3Å; E132-R136 WeakPolarHBondContact O-CB 3.48Å; E132-R136 PolarHBondContact O-N 3.02Å |
| 133 | I | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 168.5 | -69.5 | 174.7 | 0 | 0 | 0 | 111.3 | I118 Y121 I128 F129 W131 R136 L137 I154 L158 | I118-I133 HydrophobicContact CB-CG2 4.44Å; I118-I133 HydrophobicContact CG1-CG2 3.82Å; I118-I133 HydrophobicContact CG2-CG2 4.46Å; Y121-I133 HydrophobicContact CD2-CG1 4.5Å; Y121-I133 HydrophobicContact CD2-CG2 4.18Å; I128-I133 HydrophobicContact CD1-CG1 4Å; I128-I133 HydrophobicContact CG1-CG1 4.17Å; I128-I133 HydrophobicContact CG2-CD1 3.87Å; I128-I133 HydrophobicContact CG2-CG1 3.79Å; F129-I133 PolarHBondContact O-N 2.93Å; W131-I133 VanDerWaalsContact C-N 3.3Å; W131-I133 PolarHBondContact O-N 3.4Å; I133-R136 PolarHBondContact O-N 3.44Å; I133-L137 HydrophobicContact CG2-CD1 4.2Å; I133-L137 HydrophobicContact CG2-CG 4.49Å; I133-L137 WeakPolarHBondContact O-CG 3.12Å; I133-L137 PolarHBondContact O-N 3.3Å; I133-I154 HydrophobicContact CB-CG2 4.23Å; I133-I154 HydrophobicContact CD1-CG2 4.31Å; I133-I154 HydrophobicContact CG2-CD1 4.31Å; I133-I154 HydrophobicContact CG2-CG2 3.77Å; I133-L158 HydrophobicContact CD1-CD1 3.95Å; I133-L158 HydrophobicContact CD1-CD2 4.41Å |
| 134 | R | 97.1 | Very high | 95.2 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 178.8 | -170.4 | -165.1 | 174.4 | -133.9 | -1.5 | 111 | A130 W131 E132 R136 L137 L138 I148 I154 | A130-R134 PolarHBondContact O-N 3.12Å; W131-R134 WeakPolarHBondContact O-CA 3.49Å; W131-R134 VanDerWaalsContact O-CB 3.28Å; W131-R134 WeakPolarHBondContact O-CB 3.45Å; W131-R134 PolarHBondContact O-N 3.32Å; E132-R134 VanDerWaalsContact C-N 3.35Å; R134-R136 VanDerWaalsContact C-N 3.29Å; R134-R136 PolarHBondContact O-N 3.27Å; R134-L137 PolarHBondContact O-N 2.99Å; R134-L138 PolarHBondContact O-N 3.18Å; R134-I148 HydrophobicContact CG-CD1 3.66Å; R134-I148 HydrophobicContact CG-CG1 3.47Å; R134-I148 VanDerWaalsContact CG-CG1 3.47Å; R134-I148 WeakPolarHBondContact O-CD1 3.36Å; R134-I154 HydrophobicContact CB-CD1 3.66Å; R134-I154 HydrophobicContact CG-CD1 4.14Å |
| 135 | D | 96.4 | Very high | 95 | Very high | 65 Ų | 65 | 56 Ų | 56 | 35% | 0.348 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 179.3 | -61.8 | -5.1 | 0 | 0 | 0 | 110.5 | W131 E132 L138 S139 | W131-D135 WeakPolarHBondContact CZ3-OD2 3.49Å; W131-D135 VanDerWaalsContact O-CG 3.31Å; W131-D135 PolarHBondContact O-N 2.94Å; E132-D135 PolarHBondContact O-N 2.98Å; D135-L138 PolarHBondContact O-N 3.03Å; D135-S139 PolarHBondContact O-N 2.61Å |
| 136 | R | 96.9 | Very high | 94.9 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.6 | -30 | 177.8 | -166.6 | 174.7 | 171.1 | -162.7 | -15.5 | 114 | Y121 E124 E132 I133 R134 L138 S139 E140 | Y121-R136 HydrophobicContact CD2-CB 4.11Å; Y121-R136 HydrophobicContact CD2-CG 4.1Å; Y121-R136 HydrophobicContact CE1-CG 4.22Å; Y121-R136 HydrophobicContact CE2-CB 3.75Å; Y121-R136 HydrophobicContact CE2-CG 3.63Å; Y121-R136 PolarHBondContact OH-O 2.89Å; E124-R136 IonicContact OE2-CZ 2.62Å; E124-R136 VanDerWaalsContact OE2-CZ 3.24Å; E124-R136 IonicContact OE2-NH1 3.57Å; E124-R136 PolarHBondContact OE2-NH1 3.13Å; E124-R136 IonicContact OE2-NH2 2.9Å; E124-R136 PolarHBondContact OE2-NH2 3.08Å; E132-R136 VanDerWaalsContact O-CB 3.3Å; E132-R136 WeakPolarHBondContact O-CB 3.48Å; E132-R136 PolarHBondContact O-N 3.02Å; I133-R136 PolarHBondContact O-N 3.44Å; R134-R136 VanDerWaalsContact C-N 3.29Å; R134-R136 PolarHBondContact O-N 3.27Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-S139 WeakPolarHBondContact CA-OG 3.34Å; R136-S139 PolarHBondContact O-OG 2.91Å; R136-E140 HydrophobicContact CG-CG 4.34Å; R136-E140 IonicContact CZ-OE1 3.74Å; R136-E140 VanDerWaalsContact CZ-OE1 3.24Å; R136-E140 IonicContact NE-OE1 3.11Å; R136-E140 PolarHBondContact NE-OE1 2.85Å; R136-E140 IonicContact NH2-OE1 3.35Å; R136-E140 PolarHBondContact NH2-OE1 3.35Å; R136-E140 WeakPolarHBondContact O-CB 3.36Å; R136-E140 PolarHBondContact O-N 3.29Å |
| 137 | L | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 171 | -77 | 170.8 | 0 | 0 | 0 | 112 | V114 K117 I118 Y121 I133 R134 I142 C143 I148 P149 I154 | V114-L137 HydrophobicContact CG1-CD1 4.11Å; V114-L137 HydrophobicContact CG1-CD2 4.43Å; K117-L137 HydrophobicContact CB-CD2 3.88Å; I118-L137 HydrophobicContact CD1-CD1 4.23Å; I118-L137 HydrophobicContact CG1-CD1 3.93Å; Y121-L137 HydrophobicContact CE2-CD2 4Å; Y121-L137 HydrophobicContact CE2-CG 4.02Å; I133-L137 HydrophobicContact CG2-CD1 4.2Å; I133-L137 HydrophobicContact CG2-CG 4.49Å; I133-L137 WeakPolarHBondContact O-CG 3.12Å; I133-L137 PolarHBondContact O-N 3.3Å; R134-L137 PolarHBondContact O-N 2.99Å; L137-I142 HydrophobicContact CD2-CB 3.95Å; L137-I142 HydrophobicContact CD2-CG1 4.49Å; L137-I142 HydrophobicContact CD2-CG2 3.85Å; L137-I142 PolarHBondContact O-N 3.26Å; L137-I142 VanDerWaalsContact O-N 3.12Å; L137-C143 HydrophobicContact CB-CB 4.3Å; L137-C143 PolarHBondContact O-N 2.94Å; L137-I148 HydrophobicContact CB-CD1 3.62Å; L137-I148 HydrophobicContact CD1-CD1 4.01Å; L137-I148 HydrophobicContact CG-CD1 4.5Å; L137-P149 HydrophobicContact CD1-CG 4.2Å; L137-I154 HydrophobicContact CD1-CD1 4.46Å |
| 138 | L | 95.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.3 | -44.9 | 173.2 | -69.7 | 164.8 | 0 | 0 | 0 | 111.4 | R134 D135 R136 G141 I148 | R134-L138 PolarHBondContact O-N 3.18Å; D135-L138 PolarHBondContact O-N 3.03Å; R136-L138 VanDerWaalsContact C-N 3.34Å; L138-G141 PolarHBondContact O-N 3.44Å; L138-G141 VanDerWaalsContact O-N 3.16Å; L138-I148 HydrophobicContact CD1-CG1 4.32Å; L138-I148 HydrophobicContact CD2-CB 4.07Å; L138-I148 HydrophobicContact CD2-CD1 4.39Å; L138-I148 HydrophobicContact CD2-CG1 4.24Å; L138-I148 HydrophobicContact CD2-CG2 4.33Å; L138-I148 HydrophobicContact CG-CB 4.49Å; L138-I148 HydrophobicContact CG-CD1 4Å; L138-I148 HydrophobicContact CG-CG1 4.1Å |
| 139 | S | 96.1 | Very high | 94.9 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 66% | 0.664 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.2 | -30.7 | -176.4 | 70.5 | 0 | 0 | 0 | 0 | 114.2 | D135 R136 G141 | D135-S139 PolarHBondContact O-N 2.61Å; R136-S139 WeakPolarHBondContact CA-OG 3.34Å; R136-S139 PolarHBondContact O-OG 2.91Å; S139-G141 VanDerWaalsContact C-N 3.26Å |
| 140 | E | 95.3 | Very high | 94.9 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 6.8 | 172.3 | -69.3 | -171.2 | -152.3 | 0 | 0 | 112.9 | K117 Y121 R136 I142 | K117-E140 IonicContact NZ-OE2 2.85Å; K117-E140 PolarHBondContact NZ-OE2 3.11Å; Y121-E140 WeakPolarHBondContact CE1-OE1 3.39Å; Y121-E140 PolarHBondContact OH-OE1 2.62Å; Y121-E140 PolarHBondContact OH-OE2 3.28Å; Y121-E140 VanDerWaalsContact OH-OE2 3.06Å; R136-E140 HydrophobicContact CG-CG 4.34Å; R136-E140 IonicContact CZ-OE1 3.74Å; R136-E140 VanDerWaalsContact CZ-OE1 3.24Å; R136-E140 IonicContact NE-OE1 3.11Å; R136-E140 PolarHBondContact NE-OE1 2.85Å; R136-E140 IonicContact NH2-OE1 3.35Å; R136-E140 PolarHBondContact NH2-OE1 3.35Å; R136-E140 WeakPolarHBondContact O-CB 3.36Å; R136-E140 PolarHBondContact O-N 3.29Å; E140-I142 HydrophobicContact CB-CD1 4.36Å; E140-I142 HydrophobicContact CB-CG1 3.89Å; E140-I142 WeakPolarHBondContact O-CD1 3.42Å; E140-I142 PolarHBondContact O-N 2.91Å; E140-I142 VanDerWaalsContact O-N 3.1Å |
| 141 | G | 93.1 | Very high | 94.9 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 63% | 0.629 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 1.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | L138 S139 C143 | L138-G141 PolarHBondContact O-N 3.44Å; L138-G141 VanDerWaalsContact O-N 3.16Å; S139-G141 VanDerWaalsContact C-N 3.26Å; G141-C143 PolarHBondContact O-N 3.1Å |
| 142 | I | 94.8 | Very high | 94.9 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -65 | -25.3 | -179.5 | -46.5 | -55.6 | 0 | 0 | 0 | 111.6 | V114 K117 L137 E140 | V114-I142 HydrophobicContact CG2-CG2 4.11Å; K117-I142 HydrophobicContact CB-CG2 4.3Å; K117-I142 HydrophobicContact CD-CD1 4.31Å; K117-I142 HydrophobicContact CD-CG1 4.17Å; K117-I142 HydrophobicContact CG-CD1 4.37Å; K117-I142 HydrophobicContact CG-CG1 4.14Å; K117-I142 HydrophobicContact CG-CG2 4.02Å; L137-I142 HydrophobicContact CD2-CB 3.95Å; L137-I142 HydrophobicContact CD2-CG1 4.49Å; L137-I142 HydrophobicContact CD2-CG2 3.85Å; L137-I142 PolarHBondContact O-N 3.26Å; L137-I142 VanDerWaalsContact O-N 3.12Å; E140-I142 HydrophobicContact CB-CD1 4.36Å; E140-I142 HydrophobicContact CB-CG1 3.89Å; E140-I142 WeakPolarHBondContact O-CD1 3.42Å; E140-I142 PolarHBondContact O-N 2.91Å; E140-I142 VanDerWaalsContact O-N 3.1Å |
| 143 | C | 94.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | trans | -130.9 | 145.7 | 173.5 | -64.1 | 0 | 0 | 0 | 0 | 112 | L137 G141 N147 I148 | L137-C143 HydrophobicContact CB-CB 4.3Å; L137-C143 PolarHBondContact O-N 2.94Å; G141-C143 PolarHBondContact O-N 3.1Å; C143-N147 WeakPolarHBondContact CA-OD1 3.38Å; C143-N147 WeakPolarHBondContact CB-OD1 3.5Å; C143-I148 HydrophobicContact CB-CB 3.89Å; C143-I148 HydrophobicContact CB-CD1 3.63Å; C143-I148 HydrophobicContact CB-CG1 4.35Å | ||
| 144 | T | 93.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | trans | -89.4 | 171.6 | 162.6 | 74.1 | 0 | 0 | 0 | 0 | 110 | D146 N147 I148 | T144-D146 PolarHBondContact O-N 2.84Å; T144-D146 PolarHBondContact OG1-N 2.8Å; T144-D146 PolarHBondContact OG1-OD2 2.8Å; T144-D146 VanDerWaalsContact OG1-OD2 3.1Å; T144-N147 PolarHBondContact N-OD1 3.42Å; T144-N147 PolarHBondContact O-N 3.16Å; T144-N147 PolarHBondContact O-OD1 3.43Å; T144-N147 PolarHBondContact OG1-N 3.15Å; T144-I148 WeakPolarHBondContact O-CB 3.48Å; T144-I148 WeakPolarHBondContact O-CG2 3.45Å; T144-I148 PolarHBondContact O-N 3.31Å | ||
| 145 | N | 91.6 | Very high | 94.8 | Very high | 131 Ų | 131 | 56.2 Ų | 56.2 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.3 | 175.3 | -75 | -64.8 | 0 | 0 | 0 | 113.6 | I148 | N145-I148 WeakPolarHBondContact O-CG2 3.38Š|
| 146 | D | 89.6 | Confident | 94.7 | Very high | 147 Ų | 147 | 61 Ų | 61 | 79% | 0.786 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -28.1 | -176.4 | -37.5 | -84.4 | 0 | 0 | 0 | 113 | T144 | T144-D146 PolarHBondContact O-N 2.84Å; T144-D146 PolarHBondContact OG1-N 2.8Å; T144-D146 PolarHBondContact OG1-OD2 2.8Å; T144-D146 VanDerWaalsContact OG1-OD2 3.1Å |
| 147 | N | 92.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -8.4 | -176.5 | 76.2 | 21 | 0 | 0 | 0 | 114.3 | V109 C143 T144 P149 | V109-N147 VanDerWaalsContact CB-O 3.3Å; V109-N147 WeakPolarHBondContact CB-O 3.48Å; V109-N147 WeakPolarHBondContact CG1-O 3.44Å; C143-N147 WeakPolarHBondContact CA-OD1 3.38Å; C143-N147 WeakPolarHBondContact CB-OD1 3.5Å; T144-N147 PolarHBondContact N-OD1 3.42Å; T144-N147 PolarHBondContact O-N 3.16Å; T144-N147 PolarHBondContact O-OD1 3.43Å; T144-N147 PolarHBondContact OG1-N 3.15Å; N147-P149 WeakPolarHBondContact O-CD 3.39Å |
| 148 | I | 94.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 119.4 | 179 | -177.3 | 68.8 | 0 | 0 | 0 | 112 | R134 L137 L138 C143 T144 N145 | R134-I148 HydrophobicContact CG-CD1 3.66Å; R134-I148 HydrophobicContact CG-CG1 3.47Å; R134-I148 VanDerWaalsContact CG-CG1 3.47Å; R134-I148 WeakPolarHBondContact O-CD1 3.36Å; L137-I148 HydrophobicContact CB-CD1 3.62Å; L137-I148 HydrophobicContact CD1-CD1 4.01Å; L137-I148 HydrophobicContact CG-CD1 4.5Å; L138-I148 HydrophobicContact CD1-CG1 4.32Å; L138-I148 HydrophobicContact CD2-CB 4.07Å; L138-I148 HydrophobicContact CD2-CD1 4.39Å; L138-I148 HydrophobicContact CD2-CG1 4.24Å; L138-I148 HydrophobicContact CD2-CG2 4.33Å; L138-I148 HydrophobicContact CG-CB 4.49Å; L138-I148 HydrophobicContact CG-CD1 4Å; L138-I148 HydrophobicContact CG-CG1 4.1Å; C143-I148 HydrophobicContact CB-CB 3.89Å; C143-I148 HydrophobicContact CB-CD1 3.63Å; C143-I148 HydrophobicContact CB-CG1 4.35Å; T144-I148 WeakPolarHBondContact O-CB 3.48Å; T144-I148 WeakPolarHBondContact O-CG2 3.45Å; T144-I148 PolarHBondContact O-N 3.31Å; N145-I148 WeakPolarHBondContact O-CG2 3.38Å |
| 149 | P | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 141.1 | 176.5 | 21.9 | -34.3 | 0 | 0 | 0 | 112.5 | V109 V114 I118 L137 N147 I154 | V109-P149 HydrophobicContact CG2-CB 4.31Å; V109-P149 WeakPolarHBondContact O-CD 3.25Å; V114-P149 HydrophobicContact CG1-CG 3.84Å; I118-P149 HydrophobicContact CD1-CG 4.42Å; L137-P149 HydrophobicContact CD1-CG 4.2Å; N147-P149 WeakPolarHBondContact O-CD 3.39Å; P149-I154 HydrophobicContact CB-CG1 4.04Å; P149-I154 HydrophobicContact CG-CD1 4.29Å; P149-I154 HydrophobicContact CG-CG1 3.87Å |
| 150 | S | 95.3 | Very high | 94.4 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 155.2 | 174 | 82.9 | 0 | 0 | 0 | 0 | 111.9 | S152 S153 I154 | S150-S152 PolarHBondContact O-N 2.66Å; S150-S152 VanDerWaalsContact O-N 3.13Å; S150-S152 PolarHBondContact OG-N 2.75Å; S150-S153 CarbonylContact O-C 3.6Å; S150-S153 WeakPolarHBondContact O-CA 3.33Å; S150-S153 VanDerWaalsContact O-CB 3.3Å; S150-S153 WeakPolarHBondContact O-CB 3.38Å; S150-S153 PolarHBondContact O-N 3.2Å; S150-S153 PolarHBondContact OG-N 3.36Å; S150-S153 PolarHBondContact OG-OG 3.16Å; S150-I154 PolarHBondContact O-N 3.3Å |
| 151 | V | 95.7 | Very high | 94.2 | Very high | 56 Ų | 56 | 63.4 Ų | 63.4 | 34% | 0.339 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.5 | -30.6 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | A130 W131 N155 | A130-V151 HydrophobicContact CB-CG1 3.89Å; W131-V151 HydrophobicContact CB-CG2 4.22Å; V151-N155 WeakPolarHBondContact O-CB 3.15Å; V151-N155 PolarHBondContact O-N 2.84Å; V151-N155 VanDerWaalsContact O-N 3.1Å; V151-N155 PolarHBondContact O-ND2 3.22Å |
| 152 | S | 95.4 | Very high | 94 | Very high | 86 Ų | 86 | 63 Ų | 63 | 60% | 0.601 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70 | -42 | 172.6 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | S150 N155 R156 | S150-S152 PolarHBondContact O-N 2.66Å; S150-S152 VanDerWaalsContact O-N 3.13Å; S150-S152 PolarHBondContact OG-N 2.75Å; S152-N155 PolarHBondContact O-N 3.18Å; S152-R156 PolarHBondContact O-N 3.45Å |
| 153 | S | 95 | Very high | 93.6 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.2 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | S150 N155 R156 V157 | S150-S153 CarbonylContact O-C 3.6Å; S150-S153 WeakPolarHBondContact O-CA 3.33Å; S150-S153 VanDerWaalsContact O-CB 3.3Å; S150-S153 WeakPolarHBondContact O-CB 3.38Å; S150-S153 PolarHBondContact O-N 3.2Å; S150-S153 PolarHBondContact OG-N 3.36Å; S150-S153 PolarHBondContact OG-OG 3.16Å; S153-N155 PolarHBondContact O-N 2.91Å; S153-R156 WeakPolarHBondContact O-CA 3.46Å; S153-R156 WeakPolarHBondContact O-CB 3.37Å; S153-R156 PolarHBondContact O-N 2.99Å; S153-V157 PolarHBondContact O-N 3.01Å |
| 154 | I | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 175.4 | -64.6 | 167.9 | 0 | 0 | 0 | 110.2 | I118 A130 I133 R134 L137 P149 S150 R156 V157 L158 | I118-I154 HydrophobicContact CD1-CG1 4.13Å; I118-I154 HydrophobicContact CD1-CG2 4.43Å; I118-I154 HydrophobicContact CG2-CG2 4.26Å; A130-I154 HydrophobicContact CB-CB 4.25Å; A130-I154 HydrophobicContact CB-CG2 3.78Å; A130-I154 WeakPolarHBondContact O-CD1 3.39Å; I133-I154 HydrophobicContact CB-CG2 4.23Å; I133-I154 HydrophobicContact CD1-CG2 4.31Å; I133-I154 HydrophobicContact CG2-CD1 4.31Å; I133-I154 HydrophobicContact CG2-CG2 3.77Å; R134-I154 HydrophobicContact CB-CD1 3.66Å; R134-I154 HydrophobicContact CG-CD1 4.14Å; L137-I154 HydrophobicContact CD1-CD1 4.46Å; P149-I154 HydrophobicContact CB-CG1 4.04Å; P149-I154 HydrophobicContact CG-CD1 4.29Å; P149-I154 HydrophobicContact CG-CG1 3.87Å; S150-I154 PolarHBondContact O-N 3.3Å; I154-R156 VanDerWaalsContact C-N 3.25Å; I154-R156 PolarHBondContact O-N 2.87Å; I154-V157 PolarHBondContact O-N 2.88Å; I154-L158 HydrophobicContact CG2-CD1 4.21Å; I154-L158 HydrophobicContact CG2-CG 4.46Å; I154-L158 WeakPolarHBondContact O-CG 3.39Å; I154-L158 PolarHBondContact O-N 3.33Å |
| 155 | N | 96.9 | Very high | 92.1 | Very high | 63 Ų | 63 | 74 Ų | 74 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -28.6 | 174.2 | -84.2 | -71.5 | 0 | 0 | 0 | 113.6 | A130 V151 S152 S153 R159 | A130-N155 WeakPolarHBondContact CB-ND2 3.34Å; V151-N155 WeakPolarHBondContact O-CB 3.15Å; V151-N155 PolarHBondContact O-N 2.84Å; V151-N155 VanDerWaalsContact O-N 3.1Å; V151-N155 PolarHBondContact O-ND2 3.22Å; S152-N155 PolarHBondContact O-N 3.18Å; S153-N155 PolarHBondContact O-N 2.91Å; N155-R159 WeakPolarHBondContact O-CG 3.26Å; N155-R159 PolarHBondContact O-N 2.82Å; N155-R159 PolarHBondContact O-NH1 3.03Å |
| 156 | R | 94.8 | Very high | 91.1 | Very high | 166 Ų | 166 | 74.6 Ų | 74.6 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.2 | -45.5 | 173 | -165.9 | 172.1 | 78.7 | 172.2 | 5.5 | 111.2 | S152 S153 I154 L158 R159 N160 | S152-R156 PolarHBondContact O-N 3.45Å; S153-R156 WeakPolarHBondContact O-CA 3.46Å; S153-R156 WeakPolarHBondContact O-CB 3.37Å; S153-R156 PolarHBondContact O-N 2.99Å; I154-R156 VanDerWaalsContact C-N 3.25Å; I154-R156 PolarHBondContact O-N 2.87Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-L158 PolarHBondContact O-N 2.95Å; R156-R159 PolarHBondContact O-N 2.82Å; R156-N160 PolarHBondContact O-N 3.39Å; R156-N160 PolarHBondContact O-OD1 2.93Å; R156-N160 VanDerWaalsContact O-OD1 3.05Å |
| 157 | V | 95.4 | Very high | 89.7 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 10% | 0.097 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.5 | -48.5 | 173.6 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | A110 V115 I118 S153 I154 R159 N160 L161 | A110-V157 HydrophobicContact CB-CG2 4.22Å; V115-V157 HydrophobicContact CB-CG1 4.29Å; V115-V157 HydrophobicContact CG1-CG1 3.92Å; V115-V157 HydrophobicContact CG2-CG1 3.97Å; V115-V157 HydrophobicContact CG2-CG2 4.17Å; I118-V157 HydrophobicContact CB-CG1 4.29Å; I118-V157 HydrophobicContact CD1-CB 4.41Å; I118-V157 HydrophobicContact CD1-CG1 4.13Å; I118-V157 HydrophobicContact CG2-CB 4.5Å; I118-V157 HydrophobicContact CG2-CG1 3.84Å; S153-V157 PolarHBondContact O-N 3.01Å; I154-V157 PolarHBondContact O-N 2.88Å; V157-R159 VanDerWaalsContact C-N 3.31Å; V157-R159 PolarHBondContact O-N 3.41Å; V157-N160 PolarHBondContact O-N 3.04Å; V157-L161 HydrophobicContact CG1-CD1 3.72Å; V157-L161 HydrophobicContact CG1-CG 4.32Å; V157-L161 WeakPolarHBondContact O-CG 3.27Å; V157-L161 PolarHBondContact O-N 3.37Å |
| 158 | L | 95.4 | Very high | 88.1 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.9 | -34.6 | 178.6 | -71.3 | 176.7 | 0 | 0 | 0 | 113.9 | I118 K122 I133 I154 R156 A162 | I118-L158 HydrophobicContact CG2-CD2 3.56Å; I118-L158 HydrophobicContact CG2-CG 3.92Å; K122-L158 HydrophobicContact CB-CD2 3.89Å; K122-L158 HydrophobicContact CG-CD2 3.87Å; I133-L158 HydrophobicContact CD1-CD1 3.95Å; I133-L158 HydrophobicContact CD1-CD2 4.41Å; I154-L158 HydrophobicContact CG2-CD1 4.21Å; I154-L158 HydrophobicContact CG2-CG 4.46Å; I154-L158 WeakPolarHBondContact O-CG 3.39Å; I154-L158 PolarHBondContact O-N 3.33Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-L158 PolarHBondContact O-N 2.95Å; L158-A162 PolarHBondContact O-N 3.4Å |
| 159 | R | 94.1 | Very high | 86.2 | Confident | 141 Ų | 141 | 77.9 Ų | 77.9 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.8 | -45.7 | 173.9 | -75.4 | -173.4 | -61.1 | -91.5 | 3.7 | 111.7 | N155 R156 V157 L161 A162 S163 | N155-R159 WeakPolarHBondContact O-CG 3.26Å; N155-R159 PolarHBondContact O-N 2.82Å; N155-R159 PolarHBondContact O-NH1 3.03Å; R156-R159 PolarHBondContact O-N 2.82Å; V157-R159 VanDerWaalsContact C-N 3.31Å; V157-R159 PolarHBondContact O-N 3.41Å; R159-L161 PolarHBondContact O-N 3.43Å; R159-A162 WeakPolarHBondContact O-CB 3.1Å; R159-A162 PolarHBondContact O-N 2.93Å; R159-A162 VanDerWaalsContact O-N 3.15Å; R159-S163 PolarHBondContact O-N 2.89Å; R159-S163 PolarHBondContact O-OG 2.97Å |
| 160 | N | 93.2 | Very high | 84.3 | Confident | 100 Ų | 100 | 79.8 Ų | 79.8 | 54% | 0.535 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 178.9 | -70.7 | 25 | 0 | 0 | 0 | 111.2 | R156 V157 A162 S163 E164 | R156-N160 PolarHBondContact O-N 3.39Å; R156-N160 PolarHBondContact O-OD1 2.93Å; R156-N160 VanDerWaalsContact O-OD1 3.05Å; V157-N160 PolarHBondContact O-N 3.04Å; N160-A162 VanDerWaalsContact C-N 3.27Å; N160-A162 PolarHBondContact O-N 3.17Å; N160-S163 PolarHBondContact O-N 3.1Å; N160-E164 WeakPolarHBondContact O-CB 3.33Å; N160-E164 PolarHBondContact O-N 3.21Å |
| 161 | L | 91.6 | Very high | 82.4 | Confident | 44 Ų | 44 | 81 Ų | 81 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.4 | -33.3 | 176.8 | -70.3 | 167.2 | 0 | 0 | 0 | 113.1 | V115 A119 V157 R159 K165 | V115-L161 HydrophobicContact CG1-CD1 4.36Å; V115-L161 HydrophobicContact CG1-CD2 4.1Å; V115-L161 HydrophobicContact CG1-CG 4.5Å; A119-L161 HydrophobicContact CB-CD1 3.78Å; A119-L161 HydrophobicContact CB-CD2 4.5Å; V157-L161 HydrophobicContact CG1-CD1 3.72Å; V157-L161 HydrophobicContact CG1-CG 4.32Å; V157-L161 WeakPolarHBondContact O-CG 3.27Å; V157-L161 PolarHBondContact O-N 3.37Å; R159-L161 PolarHBondContact O-N 3.43Å; L161-K165 WeakPolarHBondContact O-CB 3.38Å; L161-K165 PolarHBondContact O-N 3.2Å; L161-K165 VanDerWaalsContact O-N 3.1Å |
| 162 | A | 89.3 | Confident | 80.4 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L158 R159 N160 Q166 | L158-A162 PolarHBondContact O-N 3.4Å; R159-A162 WeakPolarHBondContact O-CB 3.1Å; R159-A162 PolarHBondContact O-N 2.93Å; R159-A162 VanDerWaalsContact O-N 3.15Å; N160-A162 VanDerWaalsContact C-N 3.27Å; N160-A162 PolarHBondContact O-N 3.17Å; A162-Q166 WeakPolarHBondContact O-CG 3.22Å; A162-Q166 PolarHBondContact O-N 3.22Å; A162-Q166 VanDerWaalsContact O-N 3.16Å |
| 163 | S | 85.8 | Confident | 78.5 | Confident | 69 Ų | 69 | 82.6 Ų | 82.6 | 48% | 0.483 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 175.1 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | R159 N160 K165 Q166 Q167 | R159-S163 PolarHBondContact O-N 2.89Å; R159-S163 PolarHBondContact O-OG 2.97Å; N160-S163 PolarHBondContact O-N 3.1Å; S163-K165 VanDerWaalsContact C-N 3.33Å; S163-K165 PolarHBondContact O-N 3.25Å; S163-Q166 WeakPolarHBondContact O-CB 3.48Å; S163-Q166 PolarHBondContact O-N 2.8Å; S163-Q166 VanDerWaalsContact O-N 3.07Å; S163-Q167 PolarHBondContact O-N 3.45Å |
| 164 | E | 79.6 | Confident | 76.5 | Confident | 102 Ų | 102 | 88.9 Ų | 88.9 | 48% | 0.477 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 176 | -175.2 | 172.6 | -161.8 | 0 | 0 | 111.9 | N160 Q166 Q167 M168 | N160-E164 WeakPolarHBondContact O-CB 3.33Å; N160-E164 PolarHBondContact O-N 3.21Å; E164-Q166 VanDerWaalsContact C-N 3.31Å; E164-Q166 PolarHBondContact O-N 3Å; E164-Q167 WeakPolarHBondContact O-CB 3.48Å; E164-Q167 PolarHBondContact O-N 3.33Å; E164-M168 HydrophobicContact CG-CE 4.04Å; E164-M168 PolarHBondContact O-N 3.22Å; E164-M168 VanDerWaalsContact O-N 3.11Å |
| 165 | K | 78.1 | Confident | 74.6 | Confident | 169 Ų | 169 | 92.4 Ų | 92.4 | 74% | 0.735 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.4 | -33 | 173.1 | -170.7 | -178.6 | 179 | -172 | 0 | 112.9 | L161 S163 G169 | L161-K165 WeakPolarHBondContact O-CB 3.38Å; L161-K165 PolarHBondContact O-N 3.2Å; L161-K165 VanDerWaalsContact O-N 3.1Å; S163-K165 VanDerWaalsContact C-N 3.33Å; S163-K165 PolarHBondContact O-N 3.25Å; K165-G169 PolarHBondContact O-N 3.44Å |
| 166 | Q | 69 | Low | 72.6 | Confident | 145 Ų | 145 | 96.4 Ų | 96.4 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.8 | -40.1 | 174.1 | -72.6 | 177.9 | -51.9 | 0 | 0 | 111.6 | A162 S163 E164 G169 A170 | A162-Q166 WeakPolarHBondContact O-CG 3.22Å; A162-Q166 PolarHBondContact O-N 3.22Å; A162-Q166 VanDerWaalsContact O-N 3.16Å; S163-Q166 WeakPolarHBondContact O-CB 3.48Å; S163-Q166 PolarHBondContact O-N 2.8Å; S163-Q166 VanDerWaalsContact O-N 3.07Å; E164-Q166 VanDerWaalsContact C-N 3.31Å; E164-Q166 PolarHBondContact O-N 3Å; Q166-G169 PolarHBondContact O-N 3.05Å; Q166-A170 PolarHBondContact O-N 3.3Å |
| 167 | Q | 61.2 | Low | 70.7 | Confident | 121 Ų | 121 | 94 Ų | 94 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.3 | -58.2 | 176.7 | -158.4 | 71.9 | 53.5 | 0 | 0 | 110.9 | S163 E164 G169 A170 D171 | S163-Q167 PolarHBondContact O-N 3.45Å; E164-Q167 WeakPolarHBondContact O-CB 3.48Å; E164-Q167 PolarHBondContact O-N 3.33Å; Q167-G169 PolarHBondContact O-N 2.91Å; Q167-G169 VanDerWaalsContact O-N 3.16Å; Q167-A170 PolarHBondContact O-N 3.25Å; Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 3.3Å |
| 168 | M | 58.8 | Low | 69 | Low | 125 Ų | 125 | 101.9 Ų | 101.9 | 62% | 0.616 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.3 | -30 | 179.2 | -65.7 | 177 | -178.7 | 0 | 0 | 113.4 | E164 G172 | E164-M168 HydrophobicContact CG-CE 4.04Å; E164-M168 PolarHBondContact O-N 3.22Å; E164-M168 VanDerWaalsContact O-N 3.11Å; M168-G172 PolarHBondContact O-N 2.88Å |
| 169 | G | 55.1 | Low | 67 | Low | 51 Ų | 51 | 108 Ų | 108 | 53% | 0.526 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.9 | -31.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K165 Q166 Q167 | K165-G169 PolarHBondContact O-N 3.44Å; Q166-G169 PolarHBondContact O-N 3.05Å; Q167-G169 PolarHBondContact O-N 2.91Å; Q167-G169 VanDerWaalsContact O-N 3.16Å |
| 170 | A | 54.6 | Low | 65 | Low | 42 Ų | 42 | 107.9 Ų | 107.9 | 35% | 0.347 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77 | -48.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q166 Q167 G172 M173 Y174 | Q166-A170 PolarHBondContact O-N 3.3Å; Q167-A170 PolarHBondContact O-N 3.25Å; A170-G172 VanDerWaalsContact C-N 3.34Å; A170-G172 PolarHBondContact O-N 3.44Å; A170-M173 WeakPolarHBondContact O-CA 3.41Å; A170-M173 WeakPolarHBondContact O-CB 3.48Å; A170-M173 PolarHBondContact O-N 3.19Å; A170-Y174 WeakPolarHBondContact O-CD2 3.18Å; A170-Y174 PolarHBondContact O-N 3.03Å |
| 171 | D | 54.5 | Low | 63 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 44% | 0.439 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.6 | -45.4 | -177.4 | -60 | -31.5 | 0 | 0 | 0 | 110.9 | Q167 M173 Y174 D175 | Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 3.3Å; D171-M173 PolarHBondContact O-N 3.07Å; D171-Y174 PolarHBondContact O-N 2.92Å; D171-D175 WeakPolarHBondContact O-CB 3.43Å; D171-D175 PolarHBondContact O-N 3.07Å |
| 172 | G | 53.6 | Low | 60.7 | Low | 40 Ų | 40 | 111.2 Ų | 111.2 | 41% | 0.412 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.4 | -11.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | M168 A170 K176 | M168-G172 PolarHBondContact O-N 2.88Å; A170-G172 VanDerWaalsContact C-N 3.34Å; A170-G172 PolarHBondContact O-N 3.44Å; G172-K176 WeakPolarHBondContact O-CG 3.44Å |
| 173 | M | 55.2 | Low | 58.4 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -90.8 | -44.6 | 170.6 | -170.1 | 67.1 | 146.5 | 0 | 0 | 110.7 | A170 D171 D175 K176 L177 | A170-M173 WeakPolarHBondContact O-CA 3.41Å; A170-M173 WeakPolarHBondContact O-CB 3.48Å; A170-M173 PolarHBondContact O-N 3.19Å; D171-M173 PolarHBondContact O-N 3.07Å; M173-D175 VanDerWaalsContact C-N 3.31Å; M173-D175 PolarHBondContact O-N 3.11Å; M173-K176 PolarHBondContact O-N 3.45Å; M173-L177 PolarHBondContact O-N 3.29Å |
| 174 | Y | 54.7 | Low | 56 | Low | 173 Ų | 173 | 119.9 Ų | 119.9 | 68% | 0.678 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.7 | -35.6 | 174.2 | -86.7 | -82.6 | 0 | 0 | 0 | 112.3 | A170 D171 L177 R178 | A170-Y174 WeakPolarHBondContact O-CD2 3.18Å; A170-Y174 PolarHBondContact O-N 3.03Å; D171-Y174 PolarHBondContact O-N 2.92Å; Y174-L177 PolarHBondContact O-N 3.46Å; Y174-R178 WeakPolarHBondContact O-CB 3.36Å; Y174-R178 PolarHBondContact O-N 2.75Å |
| 175 | D | 56.1 | Low | 54.2 | Low | 74 Ų | 74 | 118.3 Ų | 118.3 | 40% | 0.396 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.4 | -37.9 | 176.7 | -122.8 | -20.9 | 0 | 0 | 0 | 112.4 | D171 M173 L177 R178 M179 | D171-D175 WeakPolarHBondContact O-CB 3.43Å; D171-D175 PolarHBondContact O-N 3.07Å; M173-D175 VanDerWaalsContact C-N 3.31Å; M173-D175 PolarHBondContact O-N 3.11Å; D175-L177 VanDerWaalsContact C-N 3.34Å; D175-R178 WeakPolarHBondContact O-CB 3.4Å; D175-R178 PolarHBondContact O-N 2.81Å; D175-R178 IonicContact OD1-CZ 3.24Å; D175-R178 IonicContact OD1-NE 3.27Å; D175-R178 PolarHBondContact OD1-NE 3.43Å; D175-R178 IonicContact OD1-NH2 2.71Å; D175-R178 PolarHBondContact OD1-NH2 3.13Å; D175-R178 IonicContact OD2-NH2 3.09Å; D175-M179 WeakPolarHBondContact O-CG 3.46Å; D175-M179 PolarHBondContact O-N 3.1Å |
| 176 | K | 54.1 | Low | 52.1 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 64% | 0.635 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.2 | -38.6 | 172 | -74.8 | 177.8 | 178.2 | 178.9 | 0 | 111.8 | G172 M173 M179 L180 | G172-K176 WeakPolarHBondContact O-CG 3.44Å; M173-K176 PolarHBondContact O-N 3.45Å; K176-M179 PolarHBondContact O-N 3.33Å; K176-L180 WeakPolarHBondContact O-CB 3.43Å; K176-L180 PolarHBondContact O-N 3.18Å |
| 177 | L | 56.2 | Low | 50.5 | Low | 116 Ų | 116 | 122.6 Ų | 122.6 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.6 | -38.9 | 174.7 | -149.2 | 72.1 | 0 | 0 | 0 | 111.5 | M173 Y174 D175 L180 N181 | M173-L177 PolarHBondContact O-N 3.29Å; Y174-L177 PolarHBondContact O-N 3.46Å; D175-L177 VanDerWaalsContact C-N 3.34Å; L177-L180 PolarHBondContact O-N 3.49Å; L177-N181 PolarHBondContact O-N 2.94Å; L177-N181 VanDerWaalsContact O-N 3.11Å |
| 178 | R | 58.3 | Low | 49.4 | Very low | 181 Ų | 181 | 119.6 Ų | 119.6 | 68% | 0.683 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.4 | -45.1 | 174 | -179.5 | 171.1 | 73.5 | 125.1 | -8.6 | 112 | Y174 D175 N181 | Y174-R178 WeakPolarHBondContact O-CB 3.36Å; Y174-R178 PolarHBondContact O-N 2.75Å; D175-R178 WeakPolarHBondContact O-CB 3.4Å; D175-R178 PolarHBondContact O-N 2.81Å; D175-R178 IonicContact OD1-CZ 3.24Å; D175-R178 IonicContact OD1-NE 3.27Å; D175-R178 PolarHBondContact OD1-NE 3.43Å; D175-R178 IonicContact OD1-NH2 2.71Å; D175-R178 PolarHBondContact OD1-NH2 3.13Å; D175-R178 IonicContact OD2-NH2 3.09Å; R178-N181 PolarHBondContact O-N 3.04Å |
| 179 | M | 54 | Low | 48.2 | Very low | 160 Ų | 160 | 120.2 Ų | 120.2 | 79% | 0.788 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.9 | -30.7 | 178.3 | -65.9 | -164.7 | 78.9 | 0 | 0 | 113.2 | D175 K176 | D175-M179 WeakPolarHBondContact O-CG 3.46Å; D175-M179 PolarHBondContact O-N 3.1Å; K176-M179 PolarHBondContact O-N 3.33Å |
| 180 | L | 52.8 | Low | 47.2 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.4 | -25.2 | 175.4 | -89.7 | 159.3 | 0 | 0 | 0 | 113.8 | K176 L177 G182 | K176-L180 WeakPolarHBondContact O-CB 3.43Å; K176-L180 PolarHBondContact O-N 3.18Å; L177-L180 PolarHBondContact O-N 3.49Å; L180-G182 PolarHBondContact O-N 3.05Å |
| 181 | N | 49.7 | Very low | 46.4 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 8.9 | -178.7 | -155.1 | 50.5 | 0 | 0 | 0 | 114 | L177 R178 | L177-N181 PolarHBondContact O-N 2.94Å; L177-N181 VanDerWaalsContact O-N 3.11Å; R178-N181 PolarHBondContact O-N 3.04Å |
| 182 | G | 43.7 | Very low | 45.3 | Very low | 66 Ų | 66 | 132.7 Ų | 132.7 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -3.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L180 | L180-G182 PolarHBondContact O-N 3.05Š|
| 183 | Q | 40.5 | Very low | 44.4 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -130 | 120.9 | -179.4 | -80.8 | -177.4 | -22.6 | 0 | 0 | 112.6 | ||
| 184 | T | 36.2 | Very low | 43.5 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | 24.2 | 99.3 | 146.2 | 55.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 185 | G | 42.9 | Very low | 42.6 | Very low | 69 Ų | 69 | 144.5 Ų | 144.5 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -75.7 | 138.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 186 | T | 33.3 | Very low | 41.4 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | -140.5 | 94.7 | 156.1 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | G188 | T186-G188 PolarHBondContact O-N 3.49Š| ||
| 187 | W | 36.1 | Very low | 40.5 | Very low | 268 Ų | 268 | 144.5 Ų | 144.5 | 100% | 1.015 | 79% | 0.794 | S | S | * | * | trans | -79.7 | 68.2 | 176.5 | -74.5 | 98.2 | 0 | 0 | 0 | 111.1 | ||||
| 188 | G | 36.9 | Very low | 39.3 | Very low | 58 Ų | 58 | 144 Ų | 144 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | trans | -116.8 | 126.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T186 | T186-G188 PolarHBondContact O-N 3.49Š| ||
| 189 | T | 32.8 | Very low | 38.3 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | 55.7 | 101.2 | 157.2 | -45.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 190 | R | 34.8 | Very low | 37.8 | Very low | 240 Ų | 240 | 140.1 Ų | 140.1 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 135.3 | 147.4 | -84.1 | -176.7 | 167.1 | -90.5 | -2.7 | 109.2 | ||
| 191 | P | 38.4 | Very low | 36.7 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 140.6 | 176.7 | 30 | -34.4 | 0 | 0 | 0 | 111 | ||
| 192 | G | 30.7 | Very low | 36 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 142 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 193 | W | 35.5 | Very low | 36 | Very low | 241 Ų | 241 | 140.1 Ų | 140.1 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 161.2 | 154.5 | -108.1 | -65.7 | 0 | 0 | 0 | 109.2 | ||
| 194 | Y | 35.4 | Very low | 35.5 | Very low | 224 Ų | 224 | 139 Ų | 139 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | 77.2 | 107.3 | -175 | -55.4 | -73.8 | 0 | 0 | 0 | 116.1 | ||||
| 195 | P | 36.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -95 | 150.7 | 166.8 | 36.1 | -31 | 0 | 0 | 0 | 112.4 | ||||
| 196 | G | 30.3 | Very low | 34.7 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 110.4 | 99.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 197 | T | 34.5 | Very low | 34.4 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | -179.5 | 167.9 | 129 | 24.9 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 198 | S | 32.4 | Very low | 34 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -146 | 137.9 | -142.4 | 59.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 199 | V | 36.5 | Very low | 33.6 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 69.3 | 170 | 159.2 | -111.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 200 | P | 43.9 | Very low | 33.5 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -138.3 | 177.8 | -118.4 | 45.6 | -27.1 | 0 | 0 | 0 | 118.3 | |||||
| 201 | G | 29.6 | Very low | 33.2 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 121 | 147 | 130.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 202 | Q | 34.6 | Very low | 32.9 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 73.5 | 157.8 | 155.6 | -73.1 | -73.3 | -78.9 | 0 | 0 | 119.2 | ||||
| 203 | P | 44 | Very low | 32.7 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -144.2 | -177.5 | -133.3 | 45.7 | -27 | 0 | 0 | 0 | 118.9 | ||||
| 204 | N | 29.7 | Very low | 32.7 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | 82.5 | 167.8 | 147 | -153.8 | 31.1 | 0 | 0 | 0 | 119.8 | ||||
| 205 | Q | 32.7 | Very low | 32.5 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 81.3 | 144.3 | -178.8 | -60.6 | -173.3 | 24.2 | 0 | 0 | 116.9 | ||||
| 206 | D | 29.8 | Very low | 32.3 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | cis | -167.5 | 164.7 | -33 | -123.9 | -58.1 | 0 | 0 | 0 | 110.9 | ||||
| 207 | G | 28.4 | Very low | 32.2 | Very low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | 82.5 | 129.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 208 | C | 25.8 | Very low | 32.4 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | cis | 71.3 | 136.5 | 42.4 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 209 | Q | 28.3 | Very low | 32.2 | Very low | 186 Ų | 186 | 132.2 Ų | 132.2 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | cis | -139.4 | 173.1 | 30.3 | -65.9 | 174.9 | -50.1 | 0 | 0 | 114.8 | ||||
| 210 | Q | 32 | Very low | 32.4 | Very low | 153 Ų | 153 | 131 Ų | 131 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | -116 | 153.1 | 172.1 | 172.5 | 177.8 | -8.9 | 0 | 0 | 109.7 | D212 | Q210-D212 PolarHBondContact NE2-OD1 2.83Š| ||
| 211 | Q | 28.7 | Very low | 31.8 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -158.4 | 148.1 | 159.2 | -131.2 | 153.8 | 107 | 0 | 0 | 112.2 | ||||
| 212 | D | 30.7 | Very low | 32.4 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -105.8 | 171.3 | -161.1 | -51.4 | -85.4 | 0 | 0 | 0 | 113.9 | Q210 | Q210-D212 PolarHBondContact NE2-OD1 2.83Š| ||
| 213 | G | 27.4 | Very low | 32.4 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -163.6 | 78.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 214 | A | 36.1 | Very low | 32.4 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -88 | 152.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 215 | G | 30.2 | Very low | 32.8 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -169.5 | 114.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 216 | E | 32 | Very low | 33.2 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -95.6 | 149.9 | -169.9 | -59.4 | 164.9 | 111.2 | 0 | 0 | 112 | ||||
| 217 | N | 29.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 171.5 | 131.4 | 109.1 | -90.8 | -66 | 0 | 0 | 0 | 114.3 | |||||
| 218 | T | 38.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | 10.7 | 121.3 | 152.8 | 60.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 219 | N | 28.1 | Very low | 36.5 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | -157.7 | 151 | 110.1 | -138.8 | -15.3 | 0 | 0 | 0 | 112.5 | |||||
| 220 | S | 41.1 | Very low | 37.7 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -109.6 | 122.3 | 179.2 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 221 | I | 31.5 | Very low | 38.8 | Very low | 173 Ų | 173 | 122.9 Ų | 122.9 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | trans | -155.3 | 139.7 | 158.9 | -117.5 | 162.4 | 0 | 0 | 0 | 110.5 | ||||
| 222 | S | 41.3 | Very low | 40.2 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | trans | -105.7 | 129.7 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 223 | S | 34.3 | Very low | 41.5 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | trans | -170.2 | 126.7 | 151.2 | -164.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 224 | N | 43.9 | Very low | 43.2 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | 22.7 | 116.6 | 148.1 | -54.5 | -80.7 | 0 | 0 | 0 | 119.8 | ||||
| 225 | G | 37.4 | Very low | 44.1 | Very low | 55 Ų | 55 | 121.6 Ų | 121.6 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | trans | -143.1 | -0.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | D227 | G225-D227 PolarHBondContact O-N 2.91Š| ||
| 226 | E | 41.5 | Very low | 45.3 | Very low | 169 Ų | 169 | 121.8 Ų | 121.8 | 79% | 0.79 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -23.2 | -156.9 | -56.3 | -177.7 | 151 | 0 | 0 | 116 | S228 | E226-S228 PolarHBondContact O-N 3.03Š|
| 227 | D | 48.3 | Very low | 46.2 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 68% | 0.684 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.4 | -30.7 | -175.1 | -178.5 | 66 | 0 | 0 | 0 | 113.9 | G225 T231 | G225-D227 PolarHBondContact O-N 2.91Å; D227-T231 WeakPolarHBondContact O-CB 3.33Å; D227-T231 PolarHBondContact O-N 2.91Å; D227-T231 VanDerWaalsContact O-N 3.07Å; D227-T231 PolarHBondContact O-OG1 3.16Å |
| 228 | S | 53.2 | Low | 47.2 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 49% | 0.49 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.7 | -41.7 | -175.6 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | E226 Q232 | E226-S228 PolarHBondContact O-N 3.03Å; S228-Q232 WeakPolarHBondContact O-CB 3.39Å; S228-Q232 VanDerWaalsContact O-CG 3.26Å; S228-Q232 WeakPolarHBondContact O-CG 3.45Å; S228-Q232 PolarHBondContact O-N 2.86Å; S228-Q232 PolarHBondContact OG-NE2 3.41Å |
| 229 | E | 52 | Low | 47.9 | Very low | 124 Ų | 124 | 122 Ų | 122 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -81.7 | -35 | -175.8 | 53.4 | -171.8 | 112.5 | 0 | 0 | 113.3 | Q232 M233 | E229-Q232 PolarHBondContact O-N 3.13Å; E229-M233 WeakPolarHBondContact O-CB 3.45Å; E229-M233 WeakPolarHBondContact O-CG 3.49Å; E229-M233 PolarHBondContact O-N 2.93Å |
| 230 | E | 52.9 | Low | 48.7 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.4 | -43.8 | 168 | -159.6 | -160.5 | 140.8 | 0 | 0 | 110.7 | Q232 M233 R234 | E230-Q232 VanDerWaalsContact C-N 3.34Å; E230-Q232 PolarHBondContact O-N 3.01Å; E230-M233 PolarHBondContact O-N 2.99Å; E230-R234 WeakPolarHBondContact O-CB 3.3Å; E230-R234 PolarHBondContact O-N 3.21Å |
| 231 | T | 56.9 | Low | 49.1 | Very low | 59 Ų | 59 | 122.9 Ų | 122.9 | 36% | 0.362 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.3 | -41 | 177.3 | -71.9 | 0 | 0 | 0 | 0 | 112 | D227 L235 | D227-T231 WeakPolarHBondContact O-CB 3.33Å; D227-T231 PolarHBondContact O-N 2.91Å; D227-T231 VanDerWaalsContact O-N 3.07Å; D227-T231 PolarHBondContact O-OG1 3.16Å; T231-L235 HydrophobicContact CG2-CD1 4.17Å; T231-L235 WeakPolarHBondContact O-CB 3.42Å; T231-L235 WeakPolarHBondContact O-CG 3.19Å; T231-L235 PolarHBondContact O-N 2.92Å |
| 232 | Q | 58 | Low | 49.5 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 51% | 0.505 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.4 | -43.8 | 173.7 | -76.1 | -176.6 | 63.9 | 0 | 0 | 112.6 | S228 E229 E230 R234 L235 Q236 | S228-Q232 WeakPolarHBondContact O-CB 3.39Å; S228-Q232 VanDerWaalsContact O-CG 3.26Å; S228-Q232 WeakPolarHBondContact O-CG 3.45Å; S228-Q232 PolarHBondContact O-N 2.86Å; S228-Q232 PolarHBondContact OG-NE2 3.41Å; E229-Q232 PolarHBondContact O-N 3.13Å; E230-Q232 VanDerWaalsContact C-N 3.34Å; E230-Q232 PolarHBondContact O-N 3.01Å; Q232-R234 VanDerWaalsContact C-N 3.35Å; Q232-R234 PolarHBondContact O-N 3.04Å; Q232-L235 PolarHBondContact O-N 2.96Å; Q232-Q236 WeakPolarHBondContact O-CG 3.49Å; Q232-Q236 PolarHBondContact O-N 3.42Å |
| 233 | M | 57.9 | Low | 50.2 | Low | 113 Ų | 113 | 127 Ų | 127 | 56% | 0.557 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59.8 | -44.5 | 174.9 | -79 | -167.9 | -83.8 | 0 | 0 | 111.4 | E229 E230 Q236 L237 | E229-M233 WeakPolarHBondContact O-CB 3.45Å; E229-M233 WeakPolarHBondContact O-CG 3.49Å; E229-M233 PolarHBondContact O-N 2.93Å; E230-M233 PolarHBondContact O-N 2.99Å; M233-Q236 CarbonylContact O-C 3.15Å; M233-Q236 WeakPolarHBondContact O-CB 3.43Å; M233-Q236 PolarHBondContact O-N 3.28Å; M233-L237 WeakPolarHBondContact O-CB 3.3Å; M233-L237 PolarHBondContact O-N 3.49Å |
| 234 | R | 61.4 | Low | 51 | Low | 178 Ų | 178 | 129.4 Ų | 129.4 | 67% | 0.672 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.5 | -39.9 | 175.8 | 177.2 | 177.7 | 163.9 | 118.1 | -9.6 | 112.5 | E230 Q232 L237 K238 | E230-R234 WeakPolarHBondContact O-CB 3.3Å; E230-R234 PolarHBondContact O-N 3.21Å; Q232-R234 VanDerWaalsContact C-N 3.35Å; Q232-R234 PolarHBondContact O-N 3.04Å; R234-L237 PolarHBondContact O-N 2.74Å; R234-K238 WeakPolarHBondContact O-CB 3.38Å; R234-K238 PolarHBondContact O-N 3.47Å |
| 235 | L | 57 | Low | 52.6 | Low | 76 Ų | 76 | 133 Ų | 133 | 40% | 0.398 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.9 | -42.3 | 172.1 | -81.7 | 165.4 | 0 | 0 | 0 | 112.1 | T231 Q232 K238 R239 | T231-L235 HydrophobicContact CG2-CD1 4.17Å; T231-L235 WeakPolarHBondContact O-CB 3.42Å; T231-L235 WeakPolarHBondContact O-CG 3.19Å; T231-L235 PolarHBondContact O-N 2.92Å; Q232-L235 PolarHBondContact O-N 2.96Å; L235-K238 PolarHBondContact O-N 3.25Å; L235-R239 WeakPolarHBondContact O-CG 3.44Å; L235-R239 PolarHBondContact O-N 3.39Å; L235-R239 VanDerWaalsContact O-N 3.11Å |
| 236 | Q | 53.8 | Low | 54.7 | Low | 81 Ų | 81 | 132.1 Ų | 132.1 | 38% | 0.379 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.4 | -43 | 173.1 | -72.9 | -171.1 | 39.4 | 0 | 0 | 111.6 | Q232 M233 K238 R239 K240 | Q232-Q236 WeakPolarHBondContact O-CG 3.49Å; Q232-Q236 PolarHBondContact O-N 3.42Å; M233-Q236 CarbonylContact O-C 3.15Å; M233-Q236 WeakPolarHBondContact O-CB 3.43Å; M233-Q236 PolarHBondContact O-N 3.28Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 2.8Å; Q236-R239 PolarHBondContact O-N 3.11Å; Q236-K240 WeakPolarHBondContact O-CB 3.26Å; Q236-K240 VanDerWaalsContact O-CG 3.26Å; Q236-K240 WeakPolarHBondContact O-CG 3.36Å; Q236-K240 PolarHBondContact O-N 2.77Å |
| 237 | L | 51.8 | Low | 56.8 | Low | 120 Ų | 120 | 129.3 Ų | 129.3 | 63% | 0.628 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.9 | -42.5 | 178.2 | -148.7 | 76.2 | 0 | 0 | 0 | 110.8 | M233 R234 R239 K240 L241 | M233-L237 WeakPolarHBondContact O-CB 3.3Å; M233-L237 PolarHBondContact O-N 3.49Å; R234-L237 PolarHBondContact O-N 2.74Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.21Å; L237-K240 PolarHBondContact O-N 3.23Å; L237-L241 WeakPolarHBondContact O-CB 3.38Å; L237-L241 PolarHBondContact O-N 3.26Å |
| 238 | K | 49.5 | Very low | 58.9 | Low | 161 Ų | 161 | 125.6 Ų | 125.6 | 70% | 0.7 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.8 | -37.2 | 174.6 | -173 | -177.8 | 177.9 | -174 | 0 | 112.6 | R234 L235 Q236 | R234-K238 WeakPolarHBondContact O-CB 3.38Å; R234-K238 PolarHBondContact O-N 3.47Å; L235-K238 PolarHBondContact O-N 3.25Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 2.8Å |
| 239 | R | 53.9 | Low | 60.8 | Low | 164 Ų | 164 | 125.8 Ų | 125.8 | 62% | 0.619 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.4 | -46.9 | 172 | -63.5 | -177.6 | -154.6 | 120.1 | 0.4 | 111.7 | L235 Q236 L237 L241 Q242 | L235-R239 WeakPolarHBondContact O-CG 3.44Å; L235-R239 PolarHBondContact O-N 3.39Å; L235-R239 VanDerWaalsContact O-N 3.11Å; Q236-R239 PolarHBondContact O-N 3.11Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.21Å; R239-L241 PolarHBondContact O-N 2.92Å; R239-Q242 WeakPolarHBondContact O-CB 3.39Å; R239-Q242 PolarHBondContact O-N 3.36Å |
| 240 | K | 45.8 | Very low | 62.9 | Low | 149 Ų | 149 | 125.6 Ų | 125.6 | 65% | 0.648 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.7 | -24.6 | -179.8 | -72.6 | 169.9 | -176.2 | 170.4 | 0 | 113.1 | Q236 L237 | Q236-K240 WeakPolarHBondContact O-CB 3.26Å; Q236-K240 VanDerWaalsContact O-CG 3.26Å; Q236-K240 WeakPolarHBondContact O-CG 3.36Å; Q236-K240 PolarHBondContact O-N 2.77Å; L237-K240 PolarHBondContact O-N 3.23Å |
| 241 | L | 49.4 | Very low | 64.8 | Low | 147 Ų | 147 | 126.7 Ų | 126.7 | 77% | 0.77 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -13.2 | 175.3 | -144.5 | 74 | 0 | 0 | 0 | 114.1 | L237 R239 R243 | L237-L241 WeakPolarHBondContact O-CB 3.38Å; L237-L241 PolarHBondContact O-N 3.26Å; R239-L241 PolarHBondContact O-N 2.92Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.3Å |
| 242 | Q | 40.1 | Very low | 66.7 | Low | 156 Ų | 156 | 125 Ų | 125 | 73% | 0.729 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -79.5 | 77.2 | 173.1 | -172.7 | 174.8 | -5.2 | 0 | 0 | 109.6 | R239 N244 | R239-Q242 WeakPolarHBondContact O-CB 3.39Å; R239-Q242 PolarHBondContact O-N 3.36Å; Q242-N244 PolarHBondContact O-N 3.21Å; Q242-N244 VanDerWaalsContact O-N 3.16Å |
| 243 | R | 56.1 | Low | 68.5 | Low | 228 Ų | 228 | 122.1 Ų | 122.1 | 86% | 0.86 | 57% | 0.567 | S | S | * | * | trans | -42.7 | 121.4 | -178.6 | -66.4 | -174 | -178.1 | 120.2 | -1.1 | 111.9 | L241 R245 | L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.3Å; R243-R245 PolarHBondContact O-N 2.9Å | ||
| 244 | N | 51 | Low | 70.3 | Confident | 150 Ų | 150 | 122 Ų | 122 | 80% | 0.802 | 57% | 0.565 | S | S | * | * | trans | -54.1 | 102.9 | 175.4 | -59.8 | 37.3 | 0 | 0 | 0 | 109.6 | Q242 | Q242-N244 PolarHBondContact O-N 3.21Å; Q242-N244 VanDerWaalsContact O-N 3.16Å | ||
| 245 | R | 76.3 | Confident | 72 | Confident | 231 Ų | 231 | 114.5 Ų | 114.5 | 87% | 0.872 | 54% | 0.541 | S | S | * | . | trans | -75.2 | 127.1 | 176.5 | -176.3 | -178.2 | 178.1 | -154.9 | -3.2 | 107.5 | R243 S247 | R243-R245 PolarHBondContact O-N 2.9Å; R245-S247 PolarHBondContact O-N 3.21Å | ||
| 246 | T | 81.4 | Confident | 73.9 | Confident | 36 Ų | 36 | 110.9 Ų | 110.9 | 22% | 0.221 | 52% | 0.522 | C | S | . | . | trans | -58.8 | 113.8 | 168.1 | -51.8 | 0 | 0 | 0 | 0 | 107.9 | F248 L280 R284 | T246-F248 HydrophobicContact CG2-CD1 3.77Å; T246-F248 HydrophobicContact CG2-CE1 3.46Å; T246-F248 VanDerWaalsContact CG2-CE1 3.46Å; T246-F248 HydrophobicContact CG2-CG 4.49Å; T246-F248 HydrophobicContact CG2-CZ 3.95Å; T246-L280 HydrophobicContact CG2-CD2 4.1Å; T246-R284 WeakPolarHBondContact OG1-CD 3.26Å; T246-R284 PolarHBondContact OG1-NH1 2.97Å | ||
| 247 | S | 85.9 | Confident | 76 | Confident | 111 Ų | 111 | 110 Ų | 110 | 78% | 0.776 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 135.4 | 157.7 | -161.1 | 0 | 0 | 0 | 0 | 106.7 | R245 | R245-S247 PolarHBondContact O-N 3.21Š|
| 248 | F | 92.2 | Very high | 78.1 | Confident | 50 Ų | 50 | 111.7 Ų | 111.7 | 22% | 0.219 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 145.4 | 175.4 | -56.3 | -73.1 | 0 | 0 | 0 | 108.3 | T246 Q252 I253 L256 L280 W288 | T246-F248 HydrophobicContact CG2-CD1 3.77Å; T246-F248 HydrophobicContact CG2-CE1 3.46Å; T246-F248 VanDerWaalsContact CG2-CE1 3.46Å; T246-F248 HydrophobicContact CG2-CG 4.49Å; T246-F248 HydrophobicContact CG2-CZ 3.95Å; F248-Q252 VanDerWaalsContact CA-OE1 3.31Å; F248-Q252 HydrophobicContact CB-CB 4.23Å; F248-I253 HydrophobicContact CB-CD1 4.14Å; F248-I253 HydrophobicContact CB-CG1 3.7Å; F248-L256 HydrophobicContact CD1-CD1 4.45Å; F248-L280 HydrophobicContact CD1-CD1 3.55Å; F248-L280 HydrophobicContact CD1-CD2 4.05Å; F248-L280 HydrophobicContact CD1-CG 4.49Å; F248-L280 HydrophobicContact CE1-CD1 3.77Å; F248-L280 HydrophobicContact CE1-CD2 4.21Å; F248-W288 AromaticContact CE2-CD1 3.7Å; F248-W288 HydrophobicContact CZ-CB 4.41Å; F248-W288 AromaticContact CZ-CD1 3.96Å |
| 249 | T | 94.4 | Very high | 80.4 | Confident | 74 Ų | 74 | 105.4 Ų | 105.4 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 162.8 | 167.4 | 68.1 | 0 | 0 | 0 | 0 | 110 | E251 Q252 I253 | T249-E251 VanDerWaalsContact C-N 3.33Å; T249-E251 PolarHBondContact O-N 3.37Å; T249-Q252 WeakPolarHBondContact O-CB 3.35Å; T249-Q252 PolarHBondContact O-N 2.84Å; T249-Q252 WeakPolarHBondContact OG1-CB 3.36Å; T249-Q252 VanDerWaalsContact OG1-CG 3.26Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.39Å; T249-Q252 PolarHBondContact OG1-N 2.88Å; T249-Q252 VanDerWaalsContact OG1-N 3.13Å; T249-I253 WeakPolarHBondContact O-CG1 3.4Å; T249-I253 PolarHBondContact O-N 3.08Å |
| 250 | Q | 94.2 | Very high | 82.4 | Confident | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.6 | -43.9 | 177 | 179.9 | 58.6 | 22.8 | 0 | 0 | 111.3 | Q252 I253 E254 | Q250-Q252 PolarHBondContact O-N 3.34Å; Q250-I253 WeakPolarHBondContact O-CB 3.24Å; Q250-I253 PolarHBondContact O-N 2.98Å; Q250-I253 VanDerWaalsContact O-N 3.11Å; Q250-E254 WeakPolarHBondContact CG-OE1 3.27Å; Q250-E254 PolarHBondContact NE2-OE1 3.28Å; Q250-E254 WeakPolarHBondContact O-CG 3.39Å; Q250-E254 PolarHBondContact O-N 3.19Å |
| 251 | E | 94.1 | Very high | 84.9 | Confident | 149 Ų | 149 | 98.2 Ų | 98.2 | 70% | 0.696 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.7 | -42.5 | 175 | -178.1 | 179.4 | -166.1 | 0 | 0 | 112.8 | T249 I253 E254 A255 | T249-E251 VanDerWaalsContact C-N 3.33Å; T249-E251 PolarHBondContact O-N 3.37Å; E251-I253 VanDerWaalsContact C-N 3.31Å; E251-I253 PolarHBondContact O-N 3.38Å; E251-E254 PolarHBondContact O-N 3.48Å; E251-A255 WeakPolarHBondContact O-CB 3.35Å; E251-A255 PolarHBondContact O-N 2.94Å |
| 252 | Q | 95.5 | Very high | 87 | Confident | 24 Ų | 24 | 98.2 Ų | 98.2 | 11% | 0.112 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 173.4 | -80 | 168.4 | -6.2 | 0 | 0 | 111.4 | F248 T249 Q250 L256 I278 L280 | F248-Q252 VanDerWaalsContact CA-OE1 3.31Å; F248-Q252 HydrophobicContact CB-CB 4.23Å; T249-Q252 WeakPolarHBondContact O-CB 3.35Å; T249-Q252 PolarHBondContact O-N 2.84Å; T249-Q252 WeakPolarHBondContact OG1-CB 3.36Å; T249-Q252 VanDerWaalsContact OG1-CG 3.26Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.39Å; T249-Q252 PolarHBondContact OG1-N 2.88Å; T249-Q252 VanDerWaalsContact OG1-N 3.13Å; Q250-Q252 PolarHBondContact O-N 3.34Å; Q252-L256 WeakPolarHBondContact O-CB 3.39Å; Q252-L256 VanDerWaalsContact O-CD1 3.25Å; Q252-L256 WeakPolarHBondContact O-CD1 3.15Å; Q252-L256 WeakPolarHBondContact O-CG 3.33Å; Q252-L256 PolarHBondContact O-N 2.8Å; Q252-I278 HydrophobicContact CB-CD1 4.42Å; Q252-I278 HydrophobicContact CG-CB 3.97Å; Q252-I278 HydrophobicContact CG-CD1 4.37Å; Q252-I278 HydrophobicContact CG-CG1 4.19Å; Q252-I278 WeakPolarHBondContact CG-O 3.49Å; Q252-I278 PolarHBondContact NE2-O 3.5Å; Q252-L280 HydrophobicContact CB-CD1 4.09Å; Q252-L280 HydrophobicContact CG-CD1 3.89Å; Q252-L280 HydrophobicContact CG-CG 4.2Å |
| 253 | I | 96.4 | Very high | 89.6 | Confident | 47 Ų | 47 | 92.6 Ų | 92.6 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 177.2 | -65.5 | 165.9 | 0 | 0 | 0 | 110.5 | F248 T249 Q250 E251 A255 L256 E257 | F248-I253 HydrophobicContact CB-CD1 4.14Å; F248-I253 HydrophobicContact CB-CG1 3.7Å; T249-I253 WeakPolarHBondContact O-CG1 3.4Å; T249-I253 PolarHBondContact O-N 3.08Å; Q250-I253 WeakPolarHBondContact O-CB 3.24Å; Q250-I253 PolarHBondContact O-N 2.98Å; Q250-I253 VanDerWaalsContact O-N 3.11Å; E251-I253 VanDerWaalsContact C-N 3.31Å; E251-I253 PolarHBondContact O-N 3.38Å; I253-A255 PolarHBondContact O-N 3.07Å; I253-L256 PolarHBondContact O-N 3.24Å; I253-E257 HydrophobicContact CG2-CG 4.19Å; I253-E257 WeakPolarHBondContact O-CB 3.4Å; I253-E257 WeakPolarHBondContact O-CG 3.47Å; I253-E257 PolarHBondContact O-N 3.4Å |
| 254 | E | 96.8 | Very high | 91.5 | Very high | 111 Ų | 111 | 84.8 Ų | 84.8 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 179.7 | -73.4 | 171.5 | -168.4 | 0 | 0 | 112.3 | Q250 E251 E257 K258 | Q250-E254 WeakPolarHBondContact CG-OE1 3.27Å; Q250-E254 PolarHBondContact NE2-OE1 3.28Å; Q250-E254 WeakPolarHBondContact O-CG 3.39Å; Q250-E254 PolarHBondContact O-N 3.19Å; E251-E254 PolarHBondContact O-N 3.48Å; E254-E257 PolarHBondContact O-N 2.83Å; E254-K258 WeakPolarHBondContact O-CB 3.35Å; E254-K258 PolarHBondContact O-N 2.84Å |
| 255 | A | 96.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 85.2 Ų | 85.2 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E251 I253 E259 L274 I278 | E251-A255 WeakPolarHBondContact O-CB 3.35Å; E251-A255 PolarHBondContact O-N 2.94Å; I253-A255 PolarHBondContact O-N 3.07Å; A255-E259 WeakPolarHBondContact O-CB 3.41Å; A255-E259 PolarHBondContact O-N 3.47Å; A255-E259 VanDerWaalsContact O-N 3.08Å; A255-L274 HydrophobicContact CB-CD1 4.32Å; A255-I278 HydrophobicContact CB-CD1 4.46Å; A255-I278 HydrophobicContact CB-CG2 3.71Å |
| 256 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.5 | -39 | 175.5 | -75.3 | 162.9 | 0 | 0 | 0 | 112.3 | F248 Q252 I253 F260 L274 I278 L280 I285 W288 F289 | F248-L256 HydrophobicContact CD1-CD1 4.45Å; Q252-L256 WeakPolarHBondContact O-CB 3.39Å; Q252-L256 VanDerWaalsContact O-CD1 3.25Å; Q252-L256 WeakPolarHBondContact O-CD1 3.15Å; Q252-L256 WeakPolarHBondContact O-CG 3.33Å; Q252-L256 PolarHBondContact O-N 2.8Å; I253-L256 PolarHBondContact O-N 3.24Å; L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 PolarHBondContact O-N 3.45Å; L256-L274 HydrophobicContact CD2-CD2 3.68Å; L256-L274 HydrophobicContact CG-CD2 4.4Å; L256-I278 HydrophobicContact CD1-CD1 4.19Å; L256-I278 HydrophobicContact CD2-CD1 4.22Å; L256-I278 HydrophobicContact CG-CD1 3.83Å; L256-L280 HydrophobicContact CD1-CD1 4.18Å; L256-I285 HydrophobicContact CD2-CB 4.33Å; L256-I285 HydrophobicContact CD2-CD1 4.41Å; L256-I285 HydrophobicContact CD2-CG1 4.09Å; L256-I285 HydrophobicContact CD2-CG2 3.82Å; L256-W288 HydrophobicContact CB-CD2 3.91Å; L256-W288 HydrophobicContact CB-CE3 3.95Å; L256-W288 HydrophobicContact CB-CH2 3.77Å; L256-W288 HydrophobicContact CB-CZ2 3.69Å; L256-W288 HydrophobicContact CB-CZ3 3.89Å; L256-W288 HydrophobicContact CD1-CD2 4.02Å; L256-W288 HydrophobicContact CD1-CG 3.9Å; L256-W288 HydrophobicContact CD2-CD2 4.12Å; L256-W288 HydrophobicContact CD2-CE3 4.01Å; L256-W288 HydrophobicContact CD2-CG 4.37Å; L256-W288 HydrophobicContact CG-CD2 4.25Å; L256-W288 HydrophobicContact CG-CE3 4.44Å; L256-W288 WeakPolarHBondContact O-CH2 3.43Å; L256-W288 WeakPolarHBondContact O-CZ3 3.49Å; L256-F289 HydrophobicContact CD2-CD2 4.3Å; L256-F289 HydrophobicContact CD2-CE2 3.86Å |
| 257 | E | 97.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 76.9 Ų | 76.9 | 29% | 0.29 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 177 | -67.7 | -163.3 | 178.8 | 0 | 0 | 111.9 | I253 E254 E259 F260 E261 W288 R292 | I253-E257 HydrophobicContact CG2-CG 4.19Å; I253-E257 WeakPolarHBondContact O-CB 3.4Å; I253-E257 WeakPolarHBondContact O-CG 3.47Å; I253-E257 PolarHBondContact O-N 3.4Å; E254-E257 PolarHBondContact O-N 2.83Å; E257-E259 PolarHBondContact O-N 3.4Å; E257-F260 CarbonylContact O-C 3.58Å; E257-F260 WeakPolarHBondContact O-CA 3.14Å; E257-F260 WeakPolarHBondContact O-CB 3.4Å; E257-F260 PolarHBondContact O-N 3.4Å; E257-F260 VanDerWaalsContact O-N 3.08Å; E257-E261 WeakPolarHBondContact O-CG 3.5Å; E257-E261 PolarHBondContact O-N 3.5Å; E257-W288 HydrophobicContact CG-CH2 3.76Å; E257-W288 HydrophobicContact CG-CZ2 3.65Å; E257-R292 VanDerWaalsContact CD-CZ 3.42Å; E257-R292 VanDerWaalsContact CD-NH1 3.26Å; E257-R292 IonicContact OE1-CZ 2.65Å; E257-R292 VanDerWaalsContact OE1-CZ 3.23Å; E257-R292 IonicContact OE1-NH1 2.94Å; E257-R292 PolarHBondContact OE1-NH1 2.85Å; E257-R292 IonicContact OE1-NH2 2.71Å; E257-R292 PolarHBondContact OE1-NH2 3.05Å; E257-R292 IonicContact OE2-CZ 2.7Å; E257-R292 IonicContact OE2-NH1 3.18Å; E257-R292 IonicContact OE2-NH2 2.92Å; E257-R292 PolarHBondContact OE2-NH2 2.89Å |
| 258 | K | 96.9 | Very high | 95.8 | Very high | 157 Ų | 157 | 75 Ų | 75 | 68% | 0.683 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | 173.7 | -175.5 | 170.2 | -175 | 165.7 | 0 | 113.1 | E254 F260 R262 | E254-K258 WeakPolarHBondContact O-CB 3.35Å; E254-K258 PolarHBondContact O-N 2.84Å; K258-F260 VanDerWaalsContact C-N 3.34Å; K258-R262 PolarHBondContact O-N 2.92Å |
| 259 | E | 96.9 | Very high | 96 | Very high | 29 Ų | 29 | 79.9 Ų | 79.9 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.1 | -29.4 | 174.2 | -171 | 66.9 | -171.3 | 0 | 0 | 111.7 | A255 E257 R262 T263 L274 F289 | A255-E259 WeakPolarHBondContact O-CB 3.41Å; A255-E259 PolarHBondContact O-N 3.47Å; A255-E259 VanDerWaalsContact O-N 3.08Å; E257-E259 PolarHBondContact O-N 3.4Å; E259-R262 VanDerWaalsContact CD-NE 3.33Å; E259-R262 WeakPolarHBondContact O-CB 3.4Å; E259-R262 PolarHBondContact O-N 2.95Å; E259-R262 IonicContact OE1-CZ 3.22Å; E259-R262 IonicContact OE1-NE 2.69Å; E259-R262 PolarHBondContact OE1-NE 3.2Å; E259-R262 IonicContact OE1-NH2 2.67Å; E259-R262 PolarHBondContact OE1-NH2 2.98Å; E259-R262 IonicContact OE2-NE 3.12Å; E259-R262 PolarHBondContact OE2-NE 3.24Å; E259-T263 PolarHBondContact O-N 3.14Å; E259-L274 HydrophobicContact CB-CD2 4.04Å; E259-L274 HydrophobicContact CG-CD2 4.14Å; E259-F289 HydrophobicContact CB-CZ 4.12Å; E259-F289 HydrophobicContact CG-CZ 4.06Å |
| 260 | F | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 76.5 Ų | 76.5 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.9 | -37.7 | 173.6 | -173.6 | -94.6 | 0 | 0 | 0 | 113.1 | L256 E257 K258 R262 T263 H264 W288 F289 R292 R293 W296 | L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 PolarHBondContact O-N 3.45Å; E257-F260 CarbonylContact O-C 3.58Å; E257-F260 WeakPolarHBondContact O-CA 3.14Å; E257-F260 WeakPolarHBondContact O-CB 3.4Å; E257-F260 PolarHBondContact O-N 3.4Å; E257-F260 VanDerWaalsContact O-N 3.08Å; K258-F260 VanDerWaalsContact C-N 3.34Å; F260-R262 VanDerWaalsContact C-N 3.3Å; F260-T263 WeakPolarHBondContact CA-O 3.34Å; F260-T263 CarbonylContact O-C 3.59Å; F260-T263 PolarHBondContact O-N 3.1Å; F260-H264 AromaticContact CD1-CD2 3.64Å; F260-H264 AromaticContact CE1-CD2 3.19Å; F260-H264 WeakPolarHBondContact CE1-CD2 3.43Å; F260-H264 AromaticContact CE1-NE2 3.45Å; F260-H264 WeakPolarHBondContact CE1-NE2 3.49Å; F260-H264 HydrophobicContact CE2-CB 4.12Å; F260-H264 AromaticContact CE2-CD2 3.72Å; F260-H264 HydrophobicContact CZ-CB 4.28Å; F260-H264 AromaticContact CZ-CD2 3.23Å; F260-H264 WeakPolarHBondContact CZ-CD2 3.39Å; F260-H264 AromaticContact CZ-CG 3.87Å; F260-H264 AromaticContact CZ-NE2 3.81Å; F260-H264 PolarHBondContact O-CD2 3.46Å; F260-H264 VanDerWaalsContact O-CD2 3.29Å; F260-H264 PolarHBondContact O-N 3.27Å; F260-W288 HydrophobicContact CB-CH2 4.16Å; F260-W288 HydrophobicContact CB-CZ3 4.04Å; F260-W288 HydrophobicContact CD2-CZ3 4.24Å; F260-W288 HydrophobicContact CG-CZ3 4.38Å; F260-F289 HydrophobicContact CB-CE1 3.91Å; F260-F289 HydrophobicContact CB-CZ 4.27Å; F260-F289 AromaticContact CD2-CD1 3.74Å; F260-F289 HydrophobicContact CD2-CD1 3.74Å; F260-F289 AromaticContact CD2-CE1 3.72Å; F260-F289 HydrophobicContact CD2-CE1 3.72Å; F260-F289 HydrophobicContact CE2-CD1 4.48Å; F260-F289 HydrophobicContact CG-CE1 4.31Å; F260-R292 HydrophobicContact CD1-CG 3.82Å; F260-R292 HydrophobicContact CD2-CB 4.05Å; F260-R292 HydrophobicContact CD2-CG 3.49Å; F260-R292 VanDerWaalsContact CD2-CG 3.49Å; F260-R292 HydrophobicContact CE1-CG 3.74Å; F260-R292 HydrophobicContact CE2-CB 3.88Å; F260-R292 HydrophobicContact CE2-CG 3.42Å; F260-R292 VanDerWaalsContact CE2-CG 3.42Å; F260-R292 HydrophobicContact CG-CG 3.71Å; F260-R292 HydrophobicContact CZ-CB 4.36Å; F260-R292 HydrophobicContact CZ-CG 3.56Å; F260-R293 HydrophobicContact CE2-CG 3.87Å; F260-R293 HydrophobicContact CZ-CG 4.43Å; F260-W296 HydrophobicContact CZ-CB 4.22Å; F260-W296 HydrophobicContact CZ-CG 4.4Å |
| 261 | E | 96.5 | Very high | 96.2 | Very high | 155 Ų | 155 | 72.5 Ų | 72.5 | 72% | 0.724 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 170.9 | -70.9 | 173.1 | 167.6 | 0 | 0 | 111.7 | E257 | E257-E261 WeakPolarHBondContact O-CG 3.5Å; E257-E261 PolarHBondContact O-N 3.5Å |
| 262 | R | 95.3 | Very high | 96.4 | Very high | 146 Ų | 146 | 69.8 Ų | 69.8 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.9 | -39.7 | 174.3 | -163.5 | -167.4 | 70.8 | 73.6 | -2.8 | 112.5 | K258 E259 F260 | K258-R262 PolarHBondContact O-N 2.92Å; E259-R262 VanDerWaalsContact CD-NE 3.33Å; E259-R262 WeakPolarHBondContact O-CB 3.4Å; E259-R262 PolarHBondContact O-N 2.95Å; E259-R262 IonicContact OE1-CZ 3.22Å; E259-R262 IonicContact OE1-NE 2.69Å; E259-R262 PolarHBondContact OE1-NE 3.2Å; E259-R262 IonicContact OE1-NH2 2.67Å; E259-R262 PolarHBondContact OE1-NH2 2.98Å; E259-R262 IonicContact OE2-NE 3.12Å; E259-R262 PolarHBondContact OE2-NE 3.24Å; F260-R262 VanDerWaalsContact C-N 3.3Å |
| 263 | T | 94.4 | Very high | 96.4 | Very high | 38 Ų | 38 | 76.4 Ų | 76.4 | 23% | 0.233 | 35% | 0.348 | C | S | . | . | trans | -159.4 | 130.5 | 171.3 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | E259 F260 Y265 P266 | E259-T263 PolarHBondContact O-N 3.14Å; F260-T263 WeakPolarHBondContact CA-O 3.34Å; F260-T263 CarbonylContact O-C 3.59Å; F260-T263 PolarHBondContact O-N 3.1Å; T263-Y265 PolarHBondContact O-N 3.07Å; T263-Y265 VanDerWaalsContact OG1-C 3.25Å; T263-Y265 PolarHBondContact OG1-N 3.29Å; T263-Y265 PolarHBondContact OG1-O 3.49Å; T263-P266 HydrophobicContact CG2-CB 4.02Å | ||
| 264 | H | 95.3 | Very high | 96.4 | Very high | 64 Ų | 64 | 74.8 Ų | 74.8 | 30% | 0.296 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -65.9 | -17.4 | 170.1 | -61.2 | 155.8 | 0 | 0 | 0 | 113.2 | F260 R293 W296 | F260-H264 AromaticContact CD1-CD2 3.64Å; F260-H264 AromaticContact CE1-CD2 3.19Å; F260-H264 WeakPolarHBondContact CE1-CD2 3.43Å; F260-H264 AromaticContact CE1-NE2 3.45Å; F260-H264 WeakPolarHBondContact CE1-NE2 3.49Å; F260-H264 HydrophobicContact CE2-CB 4.12Å; F260-H264 AromaticContact CE2-CD2 3.72Å; F260-H264 HydrophobicContact CZ-CB 4.28Å; F260-H264 AromaticContact CZ-CD2 3.23Å; F260-H264 WeakPolarHBondContact CZ-CD2 3.39Å; F260-H264 AromaticContact CZ-CG 3.87Å; F260-H264 AromaticContact CZ-NE2 3.81Å; F260-H264 PolarHBondContact O-CD2 3.46Å; F260-H264 VanDerWaalsContact O-CD2 3.29Å; F260-H264 PolarHBondContact O-N 3.27Å; H264-R293 HydrophobicContact CB-CG 4.48Å; H264-R293 VanDerWaalsContact O-CD 3.26Å; H264-R293 WeakPolarHBondContact O-CD 3.24Å; H264-R293 PolarHBondContact O-NH1 3.25Å; H264-W296 AromaticContact CE1-CE2 3.68Å; H264-W296 AromaticContact CE1-CZ2 3.83Å; H264-W296 AromaticContact CE1-NE1 3.72Å; H264-W296 AromaticContact NE2-NE1 3.87Å |
| 265 | Y | 96.1 | Very high | 96.5 | Very high | 160 Ų | 160 | 70.2 Ų | 70.2 | 63% | 0.627 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -134.1 | 76.9 | -177.1 | -65 | -89.7 | 0 | 0 | 0 | 110.8 | T263 | T263-Y265 PolarHBondContact O-N 3.07Å; T263-Y265 VanDerWaalsContact OG1-C 3.25Å; T263-Y265 PolarHBondContact OG1-N 3.29Å; T263-Y265 PolarHBondContact OG1-O 3.49Å |
| 266 | P | 95.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 73.3 Ų | 73.3 | 7% | 0.065 | 35% | 0.346 | C | S | . | . | trans | -68.5 | 141 | 169.6 | 29.9 | -35.8 | 0 | 0 | 0 | 110.7 | T263 A270 R271 F289 | T263-P266 HydrophobicContact CG2-CB 4.02Å; P266-A270 HydrophobicContact CB-CB 3.94Å; P266-R271 HydrophobicContact CB-CG 3.92Å; P266-R271 HydrophobicContact CG-CG 3.71Å; P266-R271 PolarHBondContact O-NH1 2.74Å; P266-F289 VanDerWaalsContact CD-CE1 3.42Å; P266-F289 HydrophobicContact CG-CD1 3.62Å; P266-F289 HydrophobicContact CG-CD2 4.13Å; P266-F289 HydrophobicContact CG-CE1 3.5Å; P266-F289 VanDerWaalsContact CG-CE1 3.5Å; P266-F289 HydrophobicContact CG-CE2 4.02Å; P266-F289 HydrophobicContact CG-CG 3.95Å; P266-F289 HydrophobicContact CG-CZ 3.73Å | ||
| 267 | D | 96.5 | Very high | 96.4 | Very high | 82 Ų | 82 | 81.1 Ų | 81.1 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | trans | -72.4 | -174.8 | 175.3 | 74.5 | -55.5 | 0 | 0 | 0 | 111.7 | F269 A270 R271 | D267-F269 WeakPolarHBondContact OD2-CB 3.46Å; D267-F269 WeakPolarHBondContact OD2-CD2 3.45Å; D267-F269 PolarHBondContact OD2-N 3.39Å; D267-F269 VanDerWaalsContact OD2-N 3.09Å; D267-A270 WeakPolarHBondContact OD1-CB 3.17Å; D267-A270 PolarHBondContact OD1-N 2.97Å; D267-A270 VanDerWaalsContact OD1-N 3.13Å; D267-R271 VanDerWaalsContact O-CG 3.31Å; D267-R271 WeakPolarHBondContact O-CG 3.3Å; D267-R271 PolarHBondContact O-N 2.68Å; D267-R271 PolarHBondContact O-NH1 2.66Å | ||
| 268 | V | 95.9 | Very high | 96.3 | Very high | 72 Ų | 72 | 78.9 Ų | 78.9 | 44% | 0.436 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.2 | -50.2 | -179.8 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | A270 R271 E272 | V268-A270 PolarHBondContact O-N 3.27Å; V268-R271 PolarHBondContact O-N 2.87Å; V268-E272 HydrophobicContact CG1-CG 4.21Å; V268-E272 WeakPolarHBondContact O-CG 3.26Å; V268-E272 PolarHBondContact O-N 3.42Å |
| 269 | F | 97.1 | Very high | 96.3 | Very high | 151 Ų | 151 | 78.3 Ų | 78.3 | 66% | 0.662 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | -173.9 | -58.1 | -67 | 0 | 0 | 0 | 112.8 | D267 R271 R273 | D267-F269 WeakPolarHBondContact OD2-CB 3.46Å; D267-F269 WeakPolarHBondContact OD2-CD2 3.45Å; D267-F269 PolarHBondContact OD2-N 3.39Å; D267-F269 VanDerWaalsContact OD2-N 3.09Å; F269-R271 VanDerWaalsContact C-N 3.34Å; F269-R273 VanDerWaalsContact O-CB 3.29Å; F269-R273 WeakPolarHBondContact O-CB 3.32Å; F269-R273 PolarHBondContact O-N 2.89Å |
| 270 | A | 96.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 77.5 Ų | 77.5 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | P266 D267 V268 L274 | P266-A270 HydrophobicContact CB-CB 3.94Å; D267-A270 WeakPolarHBondContact OD1-CB 3.17Å; D267-A270 PolarHBondContact OD1-N 2.97Å; D267-A270 VanDerWaalsContact OD1-N 3.13Å; V268-A270 PolarHBondContact O-N 3.27Å; A270-L274 WeakPolarHBondContact O-CB 3.41Å; A270-L274 PolarHBondContact O-N 3.02Å |
| 271 | R | 97.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 81.2 Ų | 81.2 | 13% | 0.132 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -73.6 | -36 | 176.8 | -65.7 | -172.3 | -41.5 | -87.7 | -4.3 | 112.5 | P266 D267 V268 F269 L274 A275 E282 I285 | P266-R271 HydrophobicContact CB-CG 3.92Å; P266-R271 HydrophobicContact CG-CG 3.71Å; P266-R271 PolarHBondContact O-NH1 2.74Å; D267-R271 VanDerWaalsContact O-CG 3.31Å; D267-R271 WeakPolarHBondContact O-CG 3.3Å; D267-R271 PolarHBondContact O-N 2.68Å; D267-R271 PolarHBondContact O-NH1 2.66Å; V268-R271 PolarHBondContact O-N 2.87Å; F269-R271 VanDerWaalsContact C-N 3.34Å; R271-L274 PolarHBondContact O-N 3.22Å; R271-A275 VanDerWaalsContact O-CB 3.28Å; R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.41Å; R271-E282 HydrophobicContact CB-CG 4.07Å; R271-E282 IonicContact CZ-OE1 3.24Å; R271-E282 IonicContact NE-OE1 2.7Å; R271-E282 PolarHBondContact NE-OE1 3.33Å; R271-E282 IonicContact NH2-OE1 3.23Å; R271-E282 PolarHBondContact NH2-OE1 2.99Å; R271-I285 HydrophobicContact CB-CG2 4.21Å; R271-I285 HydrophobicContact CG-CG2 4.1Å |
| 272 | E | 97.4 | Very high | 96.1 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 173.5 | -71.4 | 177.6 | 156.2 | 0 | 0 | 112 | V268 L274 A275 A276 E282 | V268-E272 HydrophobicContact CG1-CG 4.21Å; V268-E272 WeakPolarHBondContact O-CG 3.26Å; V268-E272 PolarHBondContact O-N 3.42Å; E272-L274 VanDerWaalsContact C-N 3.28Å; E272-L274 PolarHBondContact O-N 2.99Å; E272-A275 WeakPolarHBondContact O-CB 3.24Å; E272-A275 PolarHBondContact O-N 3.12Å; E272-A276 PolarHBondContact O-N 3.28Å; E272-E282 HydrophobicContact CG-CG 4.09Å |
| 273 | R | 96.9 | Very high | 96 | Very high | 162 Ų | 162 | 71.6 Ų | 71.6 | 61% | 0.611 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.9 | -36.1 | 173.2 | -175.1 | 179.9 | 63.9 | -140.7 | -4.7 | 112.1 | F269 K277 | F269-R273 VanDerWaalsContact O-CB 3.29Å; F269-R273 WeakPolarHBondContact O-CB 3.32Å; F269-R273 PolarHBondContact O-N 2.89Å; R273-K277 WeakPolarHBondContact O-CB 3.3Å; R273-K277 PolarHBondContact O-N 3.11Å |
| 274 | L | 96.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 75 Ų | 75 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 174.1 | -169.8 | 64 | 0 | 0 | 0 | 111.4 | A255 L256 E259 A270 R271 E272 A276 K277 I278 I285 F289 | A255-L274 HydrophobicContact CB-CD1 4.32Å; L256-L274 HydrophobicContact CD2-CD2 3.68Å; L256-L274 HydrophobicContact CG-CD2 4.4Å; E259-L274 HydrophobicContact CB-CD2 4.04Å; E259-L274 HydrophobicContact CG-CD2 4.14Å; A270-L274 WeakPolarHBondContact O-CB 3.41Å; A270-L274 PolarHBondContact O-N 3.02Å; R271-L274 PolarHBondContact O-N 3.22Å; E272-L274 VanDerWaalsContact C-N 3.28Å; E272-L274 PolarHBondContact O-N 2.99Å; L274-A276 PolarHBondContact O-N 3.16Å; L274-K277 WeakPolarHBondContact O-CB 3.34Å; L274-K277 PolarHBondContact O-N 2.93Å; L274-I278 HydrophobicContact CD1-CD1 4.25Å; L274-I278 HydrophobicContact CD1-CG2 4.21Å; L274-I278 HydrophobicContact CD2-CD1 4.44Å; L274-I278 HydrophobicContact CG-CD1 3.97Å; L274-I278 WeakPolarHBondContact O-CG1 3.05Å; L274-I278 PolarHBondContact O-N 3.33Å; L274-I278 VanDerWaalsContact O-N 3.14Å; L274-I285 HydrophobicContact CB-CD1 4.04Å; L274-I285 HydrophobicContact CD2-CD1 4.16Å; L274-I285 HydrophobicContact CD2-CG2 4.16Å; L274-I285 HydrophobicContact CG-CD1 3.92Å; L274-F289 HydrophobicContact CD2-CE2 4.24Å |
| 275 | A | 97.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 71.9 Ų | 71.9 | 12% | 0.116 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.5 | -49.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R271 E272 K277 D279 L280 E282 I285 | R271-A275 VanDerWaalsContact O-CB 3.28Å; R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.41Å; E272-A275 WeakPolarHBondContact O-CB 3.24Å; E272-A275 PolarHBondContact O-N 3.12Å; A275-K277 VanDerWaalsContact C-N 3.26Å; A275-K277 PolarHBondContact O-N 3.4Å; A275-D279 PolarHBondContact O-N 2.89Å; A275-L280 WeakPolarHBondContact CA-O 3.14Å; A275-L280 WeakPolarHBondContact CB-O 3.48Å; A275-L280 PolarHBondContact O-N 3Å; A275-E282 HydrophobicContact CB-CB 4.4Å; A275-I285 VanDerWaalsContact CA-CD1 3.49Å; A275-I285 HydrophobicContact CB-CD1 3.96Å |
| 276 | A | 96.3 | Very high | 96.1 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 70% | 0.702 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.1 | -16.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E272 L274 | E272-A276 PolarHBondContact O-N 3.28Å; L274-A276 PolarHBondContact O-N 3.16Å |
| 277 | K | 95.6 | Very high | 96.1 | Very high | 164 Ų | 164 | 72.1 Ų | 72.1 | 71% | 0.713 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -85.6 | -29.6 | 177.7 | -178.1 | 176.3 | 177.6 | -174.5 | 0 | 113.1 | R273 L274 A275 | R273-K277 WeakPolarHBondContact O-CB 3.3Å; R273-K277 PolarHBondContact O-N 3.11Å; L274-K277 WeakPolarHBondContact O-CB 3.34Å; L274-K277 PolarHBondContact O-N 2.93Å; A275-K277 VanDerWaalsContact C-N 3.26Å; A275-K277 PolarHBondContact O-N 3.4Å |
| 278 | I | 95.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 69.5 Ų | 69.5 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -126 | 15 | -169 | 75.3 | -176 | 0 | 0 | 0 | 113.7 | Q252 A255 L256 L274 L280 I285 | Q252-I278 HydrophobicContact CB-CD1 4.42Å; Q252-I278 HydrophobicContact CG-CB 3.97Å; Q252-I278 HydrophobicContact CG-CD1 4.37Å; Q252-I278 HydrophobicContact CG-CG1 4.19Å; Q252-I278 WeakPolarHBondContact CG-O 3.49Å; Q252-I278 PolarHBondContact NE2-O 3.5Å; A255-I278 HydrophobicContact CB-CD1 4.46Å; A255-I278 HydrophobicContact CB-CG2 3.71Å; L256-I278 HydrophobicContact CD1-CD1 4.19Å; L256-I278 HydrophobicContact CD2-CD1 4.22Å; L256-I278 HydrophobicContact CG-CD1 3.83Å; L274-I278 HydrophobicContact CD1-CD1 4.25Å; L274-I278 HydrophobicContact CD1-CG2 4.21Å; L274-I278 HydrophobicContact CD2-CD1 4.44Å; L274-I278 HydrophobicContact CG-CD1 3.97Å; L274-I278 WeakPolarHBondContact O-CG1 3.05Å; L274-I278 PolarHBondContact O-N 3.33Å; L274-I278 VanDerWaalsContact O-N 3.14Å; I278-L280 HydrophobicContact CD1-CD1 3.77Å; I278-L280 HydrophobicContact CG1-CB 4.2Å; I278-L280 HydrophobicContact CG1-CD1 3.88Å; I278-L280 HydrophobicContact CG1-CG 4.08Å; I278-L280 PolarHBondContact O-N 3.39Å; I278-I285 HydrophobicContact CD1-CD1 4.15Å; I278-I285 HydrophobicContact CG1-CD1 4.4Å |
| 279 | D | 95.9 | Very high | 96.1 | Very high | 144 Ų | 144 | 66.1 Ų | 66.1 | 77% | 0.77 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 52.7 | -179.3 | -68.1 | -37.6 | 0 | 0 | 0 | 114 | A275 | A275-D279 PolarHBondContact O-N 2.89Š|
| 280 | L | 94.9 | Very high | 96 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | trans | -131 | 133.9 | 174.8 | -70.5 | 176.4 | 0 | 0 | 0 | 110.9 | T246 F248 Q252 L256 A275 I278 E282 I285 | T246-L280 HydrophobicContact CG2-CD2 4.1Å; F248-L280 HydrophobicContact CD1-CD1 3.55Å; F248-L280 HydrophobicContact CD1-CD2 4.05Å; F248-L280 HydrophobicContact CD1-CG 4.49Å; F248-L280 HydrophobicContact CE1-CD1 3.77Å; F248-L280 HydrophobicContact CE1-CD2 4.21Å; Q252-L280 HydrophobicContact CB-CD1 4.09Å; Q252-L280 HydrophobicContact CG-CD1 3.89Å; Q252-L280 HydrophobicContact CG-CG 4.2Å; L256-L280 HydrophobicContact CD1-CD1 4.18Å; A275-L280 WeakPolarHBondContact CA-O 3.14Å; A275-L280 WeakPolarHBondContact CB-O 3.48Å; A275-L280 PolarHBondContact O-N 3Å; I278-L280 HydrophobicContact CD1-CD1 3.77Å; I278-L280 HydrophobicContact CG1-CB 4.2Å; I278-L280 HydrophobicContact CG1-CD1 3.88Å; I278-L280 HydrophobicContact CG1-CG 4.08Å; I278-L280 PolarHBondContact O-N 3.39Å; L280-E282 PolarHBondContact O-N 3.21Å; L280-I285 HydrophobicContact CB-CD1 4.33Å; L280-I285 HydrophobicContact CB-CG1 4.17Å | ||
| 281 | P | 95.4 | Very high | 96 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | trans | -57.2 | 139.5 | 173.7 | -23.7 | 32.9 | 0 | 0 | 0 | 112 | A283 R284 I285 | P281-A283 PolarHBondContact O-N 3.45Å; P281-A283 VanDerWaalsContact O-N 3.1Å; P281-R284 HydrophobicContact CB-CG 4.25Å; P281-R284 HydrophobicContact CG-CG 4.31Å; P281-R284 WeakPolarHBondContact O-CA 3.27Å; P281-R284 WeakPolarHBondContact O-CB 3.45Å; P281-R284 PolarHBondContact O-N 3.25Å; P281-I285 PolarHBondContact O-N 2.85Å | ||
| 282 | E | 95.4 | Very high | 95.9 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 22% | 0.224 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -46.9 | -45 | 179.7 | -175.8 | -74.1 | 154.8 | 0 | 0 | 111.9 | R271 E272 A275 L280 R284 I285 Q286 | R271-E282 HydrophobicContact CB-CG 4.07Å; R271-E282 IonicContact CZ-OE1 3.24Å; R271-E282 IonicContact NE-OE1 2.7Å; R271-E282 PolarHBondContact NE-OE1 3.33Å; R271-E282 IonicContact NH2-OE1 3.23Å; R271-E282 PolarHBondContact NH2-OE1 2.99Å; E272-E282 HydrophobicContact CG-CG 4.09Å; A275-E282 HydrophobicContact CB-CB 4.4Å; L280-E282 PolarHBondContact O-N 3.21Å; E282-R284 PolarHBondContact O-N 3.19Å; E282-I285 CarbonylContact O-C 3.55Å; E282-I285 WeakPolarHBondContact O-CA 3.26Å; E282-I285 WeakPolarHBondContact O-CB 3.39Å; E282-I285 PolarHBondContact O-N 3.18Å; E282-Q286 PolarHBondContact O-N 3.23Å |
| 283 | A | 94.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 64 Ų | 64 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -28.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P281 V287 | P281-A283 PolarHBondContact O-N 3.45Å; P281-A283 VanDerWaalsContact O-N 3.1Å; A283-V287 WeakPolarHBondContact O-CB 3.4Å; A283-V287 VanDerWaalsContact O-CG2 3.23Å; A283-V287 WeakPolarHBondContact O-CG2 3.37Å; A283-V287 PolarHBondContact O-N 3.28Å |
| 284 | R | 95.3 | Very high | 95.5 | Very high | 108 Ų | 108 | 56.3 Ų | 56.3 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.6 | -36.2 | 173.4 | -60.5 | -60 | 178.5 | 146.9 | -8.4 | 111.1 | T246 P281 E282 W288 | T246-R284 WeakPolarHBondContact OG1-CD 3.26Å; T246-R284 PolarHBondContact OG1-NH1 2.97Å; P281-R284 HydrophobicContact CB-CG 4.25Å; P281-R284 HydrophobicContact CG-CG 4.31Å; P281-R284 WeakPolarHBondContact O-CA 3.27Å; P281-R284 WeakPolarHBondContact O-CB 3.45Å; P281-R284 PolarHBondContact O-N 3.25Å; E282-R284 PolarHBondContact O-N 3.19Å; R284-W288 WeakPolarHBondContact O-CB 3.46Å; R284-W288 PolarHBondContact O-N 3.07Å |
| 285 | I | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 172.4 | -61.3 | -170.8 | 0 | 0 | 0 | 110.4 | L256 R271 L274 A275 I278 L280 P281 E282 V287 W288 F289 | L256-I285 HydrophobicContact CD2-CB 4.33Å; L256-I285 HydrophobicContact CD2-CD1 4.41Å; L256-I285 HydrophobicContact CD2-CG1 4.09Å; L256-I285 HydrophobicContact CD2-CG2 3.82Å; R271-I285 HydrophobicContact CB-CG2 4.21Å; R271-I285 HydrophobicContact CG-CG2 4.1Å; L274-I285 HydrophobicContact CB-CD1 4.04Å; L274-I285 HydrophobicContact CD2-CD1 4.16Å; L274-I285 HydrophobicContact CD2-CG2 4.16Å; L274-I285 HydrophobicContact CG-CD1 3.92Å; A275-I285 VanDerWaalsContact CA-CD1 3.49Å; A275-I285 HydrophobicContact CB-CD1 3.96Å; I278-I285 HydrophobicContact CD1-CD1 4.15Å; I278-I285 HydrophobicContact CG1-CD1 4.4Å; L280-I285 HydrophobicContact CB-CD1 4.33Å; L280-I285 HydrophobicContact CB-CG1 4.17Å; P281-I285 PolarHBondContact O-N 2.85Å; E282-I285 CarbonylContact O-C 3.55Å; E282-I285 WeakPolarHBondContact O-CA 3.26Å; E282-I285 WeakPolarHBondContact O-CB 3.39Å; E282-I285 PolarHBondContact O-N 3.18Å; I285-V287 VanDerWaalsContact C-N 3.32Å; I285-V287 PolarHBondContact O-N 3.44Å; I285-W288 WeakPolarHBondContact O-CB 3.29Å; I285-W288 PolarHBondContact O-N 2.94Å; I285-W288 VanDerWaalsContact O-N 3.1Å; I285-F289 HydrophobicContact CG2-CD2 3.69Å; I285-F289 HydrophobicContact CG2-CE2 3.82Å; I285-F289 WeakPolarHBondContact O-CD2 3.05Å; I285-F289 PolarHBondContact O-N 3.05Å |
| 286 | Q | 96.1 | Very high | 95 | Very high | 96 Ų | 96 | 64 Ų | 64 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.5 | -46.7 | 174.5 | -167 | -157.6 | 40.1 | 0 | 0 | 111.8 | E282 S290 | E282-Q286 PolarHBondContact O-N 3.23Å; Q286-S290 WeakPolarHBondContact O-CB 3.4Å; Q286-S290 PolarHBondContact O-N 3.28Å |
| 287 | V | 95.5 | Very high | 94.5 | Very high | 79 Ų | 79 | 64.4 Ų | 64.4 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 175.3 | 168.1 | 0 | 0 | 0 | 0 | 111.9 | A283 I285 S290 N291 | A283-V287 WeakPolarHBondContact O-CB 3.4Å; A283-V287 VanDerWaalsContact O-CG2 3.23Å; A283-V287 WeakPolarHBondContact O-CG2 3.37Å; A283-V287 PolarHBondContact O-N 3.28Å; I285-V287 VanDerWaalsContact C-N 3.32Å; I285-V287 PolarHBondContact O-N 3.44Å; V287-S290 PolarHBondContact O-N 2.67Å; V287-N291 WeakPolarHBondContact CG1-ND2 3.27Å; V287-N291 PolarHBondContact O-N 3.48Å; V287-N291 PolarHBondContact O-ND2 2.98Å |
| 288 | W | 96.3 | Very high | 94 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -49.9 | 174.9 | -174.7 | 104.4 | 0 | 0 | 0 | 111.1 | F248 L256 E257 F260 R284 I285 S290 N291 R292 | F248-W288 AromaticContact CE2-CD1 3.7Å; F248-W288 HydrophobicContact CZ-CB 4.41Å; F248-W288 AromaticContact CZ-CD1 3.96Å; L256-W288 HydrophobicContact CB-CD2 3.91Å; L256-W288 HydrophobicContact CB-CE3 3.95Å; L256-W288 HydrophobicContact CB-CH2 3.77Å; L256-W288 HydrophobicContact CB-CZ2 3.69Å; L256-W288 HydrophobicContact CB-CZ3 3.89Å; L256-W288 HydrophobicContact CD1-CD2 4.02Å; L256-W288 HydrophobicContact CD1-CG 3.9Å; L256-W288 HydrophobicContact CD2-CD2 4.12Å; L256-W288 HydrophobicContact CD2-CE3 4.01Å; L256-W288 HydrophobicContact CD2-CG 4.37Å; L256-W288 HydrophobicContact CG-CD2 4.25Å; L256-W288 HydrophobicContact CG-CE3 4.44Å; L256-W288 WeakPolarHBondContact O-CH2 3.43Å; L256-W288 WeakPolarHBondContact O-CZ3 3.49Å; E257-W288 HydrophobicContact CG-CH2 3.76Å; E257-W288 HydrophobicContact CG-CZ2 3.65Å; F260-W288 HydrophobicContact CB-CH2 4.16Å; F260-W288 HydrophobicContact CB-CZ3 4.04Å; F260-W288 HydrophobicContact CD2-CZ3 4.24Å; F260-W288 HydrophobicContact CG-CZ3 4.38Å; R284-W288 WeakPolarHBondContact O-CB 3.46Å; R284-W288 PolarHBondContact O-N 3.07Å; I285-W288 WeakPolarHBondContact O-CB 3.29Å; I285-W288 PolarHBondContact O-N 2.94Å; I285-W288 VanDerWaalsContact O-N 3.1Å; W288-S290 VanDerWaalsContact C-N 3.32Å; W288-S290 PolarHBondContact O-N 2.82Å; W288-N291 CarbonylContact O-C 3.59Å; W288-N291 PolarHBondContact O-N 3.2Å; W288-N291 VanDerWaalsContact O-N 3.13Å; W288-R292 HydrophobicContact CD2-CB 4.48Å; W288-R292 HydrophobicContact CE3-CB 4.01Å; W288-R292 HydrophobicContact CH2-CB 3.94Å; W288-R292 HydrophobicContact CH2-CG 3.63Å; W288-R292 HydrophobicContact CZ2-CB 4.44Å; W288-R292 HydrophobicContact CZ2-CG 4.31Å; W288-R292 HydrophobicContact CZ3-CB 3.71Å; W288-R292 HydrophobicContact CZ3-CG 3.79Å; W288-R292 WeakPolarHBondContact O-CB 3.43Å; W288-R292 PolarHBondContact O-N 2.7Å |
| 289 | F | 97.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 178.6 | -92.4 | -91.2 | 0 | 0 | 0 | 112.3 | L256 E259 F260 P266 L274 I285 R292 R293 | L256-F289 HydrophobicContact CD2-CD2 4.3Å; L256-F289 HydrophobicContact CD2-CE2 3.86Å; E259-F289 HydrophobicContact CB-CZ 4.12Å; E259-F289 HydrophobicContact CG-CZ 4.06Å; F260-F289 HydrophobicContact CB-CE1 3.91Å; F260-F289 HydrophobicContact CB-CZ 4.27Å; F260-F289 AromaticContact CD2-CD1 3.74Å; F260-F289 HydrophobicContact CD2-CD1 3.74Å; F260-F289 AromaticContact CD2-CE1 3.72Å; F260-F289 HydrophobicContact CD2-CE1 3.72Å; F260-F289 HydrophobicContact CE2-CD1 4.48Å; F260-F289 HydrophobicContact CG-CE1 4.31Å; P266-F289 VanDerWaalsContact CD-CE1 3.42Å; P266-F289 HydrophobicContact CG-CD1 3.62Å; P266-F289 HydrophobicContact CG-CD2 4.13Å; P266-F289 HydrophobicContact CG-CE1 3.5Å; P266-F289 VanDerWaalsContact CG-CE1 3.5Å; P266-F289 HydrophobicContact CG-CE2 4.02Å; P266-F289 HydrophobicContact CG-CG 3.95Å; P266-F289 HydrophobicContact CG-CZ 3.73Å; L274-F289 HydrophobicContact CD2-CE2 4.24Å; I285-F289 HydrophobicContact CG2-CD2 3.69Å; I285-F289 HydrophobicContact CG2-CE2 3.82Å; I285-F289 WeakPolarHBondContact O-CD2 3.05Å; I285-F289 PolarHBondContact O-N 3.05Å; F289-R292 PolarHBondContact O-N 2.62Å; F289-R293 WeakPolarHBondContact O-CB 3.47Å; F289-R293 WeakPolarHBondContact O-CG 3.32Å; F289-R293 PolarHBondContact O-N 3.15Å |
| 290 | S | 95 | Very high | 92.6 | Very high | 52 Ų | 52 | 60.6 Ų | 60.6 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 173.4 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | Q286 V287 W288 A294 | Q286-S290 WeakPolarHBondContact O-CB 3.4Å; Q286-S290 PolarHBondContact O-N 3.28Å; V287-S290 PolarHBondContact O-N 2.67Å; W288-S290 VanDerWaalsContact C-N 3.32Å; W288-S290 PolarHBondContact O-N 2.82Å; S290-A294 WeakPolarHBondContact O-CB 3.23Å; S290-A294 PolarHBondContact O-N 3.07Å; S290-A294 VanDerWaalsContact O-N 3.08Å |
| 291 | N | 95.3 | Very high | 91.8 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 176.1 | -74.3 | -55.2 | 0 | 0 | 0 | 112.8 | V287 W288 A294 K295 | V287-N291 WeakPolarHBondContact CG1-ND2 3.27Å; V287-N291 PolarHBondContact O-N 3.48Å; V287-N291 PolarHBondContact O-ND2 2.98Å; W288-N291 CarbonylContact O-C 3.59Å; W288-N291 PolarHBondContact O-N 3.2Å; W288-N291 VanDerWaalsContact O-N 3.13Å; N291-A294 PolarHBondContact O-N 3.28Å; N291-K295 PolarHBondContact O-N 2.78Å |
| 292 | R | 95.8 | Very high | 90.9 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 177.7 | -173 | 67.7 | 174.5 | -159.3 | -9.7 | 111.4 | E257 F260 W288 F289 A294 K295 W296 | E257-R292 VanDerWaalsContact CD-CZ 3.42Å; E257-R292 VanDerWaalsContact CD-NH1 3.26Å; E257-R292 IonicContact OE1-CZ 2.65Å; E257-R292 VanDerWaalsContact OE1-CZ 3.23Å; E257-R292 IonicContact OE1-NH1 2.94Å; E257-R292 PolarHBondContact OE1-NH1 2.85Å; E257-R292 IonicContact OE1-NH2 2.71Å; E257-R292 PolarHBondContact OE1-NH2 3.05Å; E257-R292 IonicContact OE2-CZ 2.7Å; E257-R292 IonicContact OE2-NH1 3.18Å; E257-R292 IonicContact OE2-NH2 2.92Å; E257-R292 PolarHBondContact OE2-NH2 2.89Å; F260-R292 HydrophobicContact CD1-CG 3.82Å; F260-R292 HydrophobicContact CD2-CB 4.05Å; F260-R292 HydrophobicContact CD2-CG 3.49Å; F260-R292 VanDerWaalsContact CD2-CG 3.49Å; F260-R292 HydrophobicContact CE1-CG 3.74Å; F260-R292 HydrophobicContact CE2-CB 3.88Å; F260-R292 HydrophobicContact CE2-CG 3.42Å; F260-R292 VanDerWaalsContact CE2-CG 3.42Å; F260-R292 HydrophobicContact CG-CG 3.71Å; F260-R292 HydrophobicContact CZ-CB 4.36Å; F260-R292 HydrophobicContact CZ-CG 3.56Å; W288-R292 HydrophobicContact CD2-CB 4.48Å; W288-R292 HydrophobicContact CE3-CB 4.01Å; W288-R292 HydrophobicContact CH2-CB 3.94Å; W288-R292 HydrophobicContact CH2-CG 3.63Å; W288-R292 HydrophobicContact CZ2-CB 4.44Å; W288-R292 HydrophobicContact CZ2-CG 4.31Å; W288-R292 HydrophobicContact CZ3-CB 3.71Å; W288-R292 HydrophobicContact CZ3-CG 3.79Å; W288-R292 WeakPolarHBondContact O-CB 3.43Å; W288-R292 PolarHBondContact O-N 2.7Å; F289-R292 PolarHBondContact O-N 2.62Å; R292-A294 VanDerWaalsContact C-N 3.27Å; R292-A294 PolarHBondContact O-N 2.85Å; R292-K295 WeakPolarHBondContact O-CB 3.28Å; R292-K295 PolarHBondContact O-N 2.88Å; R292-K295 VanDerWaalsContact O-N 3.11Å; R292-W296 WeakPolarHBondContact O-CB 3.33Å; R292-W296 PolarHBondContact O-N 3.05Å |
| 293 | R | 95.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 72 Ų | 72 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -37.7 | 171.1 | -74.2 | -168.6 | -67.8 | -91.5 | 3.1 | 112.6 | F260 H264 F289 R297 | F260-R293 HydrophobicContact CE2-CG 3.87Å; F260-R293 HydrophobicContact CZ-CG 4.43Å; H264-R293 HydrophobicContact CB-CG 4.48Å; H264-R293 VanDerWaalsContact O-CD 3.26Å; H264-R293 WeakPolarHBondContact O-CD 3.24Å; H264-R293 PolarHBondContact O-NH1 3.25Å; F289-R293 WeakPolarHBondContact O-CB 3.47Å; F289-R293 WeakPolarHBondContact O-CG 3.32Å; F289-R293 PolarHBondContact O-N 3.15Å; R293-R297 WeakPolarHBondContact O-CB 3.3Å; R293-R297 WeakPolarHBondContact O-CG 3.43Å; R293-R297 PolarHBondContact O-N 2.99Å; R293-R297 PolarHBondContact O-NE 3.44Å |
| 294 | A | 90.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.017 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72 | -29.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | S290 N291 R292 R298 | S290-A294 WeakPolarHBondContact O-CB 3.23Å; S290-A294 PolarHBondContact O-N 3.07Å; S290-A294 VanDerWaalsContact O-N 3.08Å; N291-A294 PolarHBondContact O-N 3.28Å; R292-A294 VanDerWaalsContact C-N 3.27Å; R292-A294 PolarHBondContact O-N 2.85Å; A294-R298 PolarHBondContact O-NE 2.73Å; A294-R298 PolarHBondContact O-NH2 3.34Å |
| 295 | K | 91.2 | Very high | 88 | Confident | 80 Ų | 80 | 73.9 Ų | 73.9 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.5 | -53.3 | 170.5 | -177.1 | 179.7 | 173.7 | -77.1 | 0 | 110.5 | N291 R292 R297 R298 E299 | N291-K295 PolarHBondContact O-N 2.78Å; R292-K295 WeakPolarHBondContact O-CB 3.28Å; R292-K295 PolarHBondContact O-N 2.88Å; R292-K295 VanDerWaalsContact O-N 3.11Å; K295-R297 VanDerWaalsContact C-N 3.34Å; K295-R297 PolarHBondContact O-N 3.29Å; K295-R298 WeakPolarHBondContact O-CB 3.43Å; K295-R298 PolarHBondContact O-N 3.27Å; K295-E299 WeakPolarHBondContact CE-OE1 3.43Å; K295-E299 HydrophobicContact CG-CG 4.45Å; K295-E299 IonicContact NZ-OE1 2.82Å; K295-E299 PolarHBondContact NZ-OE1 3.32Å; K295-E299 IonicContact NZ-OE2 2.67Å; K295-E299 PolarHBondContact NZ-OE2 2.93Å; K295-E299 WeakPolarHBondContact O-CG 3.47Å; K295-E299 PolarHBondContact O-N 2.77Å |
| 296 | W | 91.3 | Very high | 86.8 | Confident | 108 Ų | 108 | 83.2 Ų | 83.2 | 41% | 0.409 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -53.2 | -46.2 | 178.2 | -174.8 | 91.9 | 0 | 0 | 0 | 112.6 | F260 H264 R292 R298 E299 E300 | F260-W296 HydrophobicContact CZ-CB 4.22Å; F260-W296 HydrophobicContact CZ-CG 4.4Å; H264-W296 AromaticContact CE1-CE2 3.68Å; H264-W296 AromaticContact CE1-CZ2 3.83Å; H264-W296 AromaticContact CE1-NE1 3.72Å; H264-W296 AromaticContact NE2-NE1 3.87Å; R292-W296 WeakPolarHBondContact O-CB 3.33Å; R292-W296 PolarHBondContact O-N 3.05Å; W296-R298 VanDerWaalsContact C-N 3.27Å; W296-R298 PolarHBondContact O-N 3.44Å; W296-E299 PolarHBondContact O-N 3.28Å; W296-E300 PolarHBondContact O-N 3.46Å |
| 297 | R | 87.8 | Confident | 85.4 | Confident | 94 Ų | 94 | 86.4 Ų | 86.4 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.4 | -23.1 | 176.2 | -79.5 | -174 | -78.6 | 111.2 | -5.9 | 114.9 | R293 K295 K301 | R293-R297 WeakPolarHBondContact O-CB 3.3Å; R293-R297 WeakPolarHBondContact O-CG 3.43Å; R293-R297 PolarHBondContact O-N 2.99Å; R293-R297 PolarHBondContact O-NE 3.44Å; K295-R297 VanDerWaalsContact C-N 3.34Å; K295-R297 PolarHBondContact O-N 3.29Å; R297-K301 WeakPolarHBondContact O-CG 3.17Å |
| 298 | R | 84.3 | Confident | 83.7 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 38% | 0.381 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -83.8 | -38.9 | 172.8 | -86.4 | -178.9 | -87.8 | 99.4 | -0.5 | 111.7 | W131 A294 K295 W296 K301 L302 | W131-R298 HydrophobicContact CD2-CG 4.41Å; W131-R298 HydrophobicContact CE3-CG 4.34Å; W131-R298 HydrophobicContact CH2-CG 3.59Å; W131-R298 HydrophobicContact CZ2-CG 3.66Å; W131-R298 HydrophobicContact CZ3-CG 3.95Å; A294-R298 PolarHBondContact O-NE 2.73Å; A294-R298 PolarHBondContact O-NH2 3.34Å; K295-R298 WeakPolarHBondContact O-CB 3.43Å; K295-R298 PolarHBondContact O-N 3.27Å; W296-R298 VanDerWaalsContact C-N 3.27Å; W296-R298 PolarHBondContact O-N 3.44Å; R298-K301 PolarHBondContact O-N 3.28Å; R298-L302 PolarHBondContact O-N 2.79Å; R298-L302 VanDerWaalsContact O-N 3.12Å |
| 299 | E | 83.9 | Confident | 81.9 | Confident | 93 Ų | 93 | 91.8 Ų | 91.8 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.4 | -69.2 | 172.7 | 152.6 | 0 | 0 | 111.1 | K295 W296 L302 R303 | K295-E299 WeakPolarHBondContact CE-OE1 3.43Å; K295-E299 HydrophobicContact CG-CG 4.45Å; K295-E299 IonicContact NZ-OE1 2.82Å; K295-E299 PolarHBondContact NZ-OE1 3.32Å; K295-E299 IonicContact NZ-OE2 2.67Å; K295-E299 PolarHBondContact NZ-OE2 2.93Å; K295-E299 WeakPolarHBondContact O-CG 3.47Å; K295-E299 PolarHBondContact O-N 2.77Å; W296-E299 PolarHBondContact O-N 3.28Å; E299-L302 PolarHBondContact O-N 2.86Å; E299-R303 WeakPolarHBondContact O-CB 3.48Å; E299-R303 PolarHBondContact O-N 3.26Å |
| 300 | E | 78.8 | Confident | 79.8 | Confident | 49 Ų | 49 | 97.7 Ų | 97.7 | 23% | 0.229 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70 | -35.9 | 177.9 | -168.6 | 68.1 | 153.9 | 0 | 0 | 113.4 | W296 L302 R303 N304 | W296-E300 PolarHBondContact O-N 3.46Å; E300-L302 PolarHBondContact O-N 3.35Å; E300-R303 VanDerWaalsContact CD-NH2 3.33Å; E300-R303 PolarHBondContact O-N 3.11Å; E300-R303 IonicContact OE1-NH2 2.66Å; E300-R303 PolarHBondContact OE1-NH2 3.45Å; E300-R303 IonicContact OE2-CZ 2.66Å; E300-R303 IonicContact OE2-NE 3.8Å; E300-R303 PolarHBondContact OE2-NE 2.87Å; E300-R303 IonicContact OE2-NH2 2.75Å; E300-R303 PolarHBondContact OE2-NH2 2.83Å; E300-N304 WeakPolarHBondContact O-CB 3.38Å; E300-N304 PolarHBondContact O-N 3.02Å |
| 301 | K | 77.9 | Confident | 77.7 | Confident | 131 Ų | 131 | 102 Ų | 102 | 57% | 0.57 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59 | -46.7 | 171 | -80.7 | -175.6 | 174.1 | -167 | 0 | 111.5 | R297 R298 N304 Q305 | R297-K301 WeakPolarHBondContact O-CG 3.17Å; R298-K301 PolarHBondContact O-N 3.28Å; K301-N304 PolarHBondContact O-N 3.1Å; K301-Q305 WeakPolarHBondContact O-CB 3.1Å; K301-Q305 PolarHBondContact O-N 2.86Å |
| 302 | L | 76.3 | Confident | 75.4 | Confident | 115 Ų | 115 | 102 Ų | 102 | 60% | 0.602 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.5 | -38.3 | 178.5 | -171.4 | 67 | 0 | 0 | 0 | 111.9 | R298 E299 E300 Q305 R306 | R298-L302 PolarHBondContact O-N 2.79Å; R298-L302 VanDerWaalsContact O-N 3.12Å; E299-L302 PolarHBondContact O-N 2.86Å; E300-L302 PolarHBondContact O-N 3.35Å; L302-Q305 PolarHBondContact O-N 3.4Å; L302-R306 PolarHBondContact O-N 3.07Å |
| 303 | R | 77.9 | Confident | 72.9 | Confident | 141 Ų | 141 | 104.9 Ų | 104.9 | 53% | 0.532 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 177.2 | -164.4 | 162.3 | 69.1 | 155.9 | 6 | 111.9 | E299 E300 R306 R307 | E299-R303 WeakPolarHBondContact O-CB 3.48Å; E299-R303 PolarHBondContact O-N 3.26Å; E300-R303 VanDerWaalsContact CD-NH2 3.33Å; E300-R303 PolarHBondContact O-N 3.11Å; E300-R303 IonicContact OE1-NH2 2.66Å; E300-R303 PolarHBondContact OE1-NH2 3.45Å; E300-R303 IonicContact OE2-CZ 2.66Å; E300-R303 IonicContact OE2-NE 3.8Å; E300-R303 PolarHBondContact OE2-NE 2.87Å; E300-R303 IonicContact OE2-NH2 2.75Å; E300-R303 PolarHBondContact OE2-NH2 2.83Å; R303-R306 PolarHBondContact O-N 3.21Å; R303-R307 WeakPolarHBondContact O-CG 3.41Å; R303-R307 PolarHBondContact O-N 3.46Å |
| 304 | N | 75.1 | Confident | 70.5 | Confident | 72 Ų | 72 | 108.1 Ų | 108.1 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.6 | -37.1 | 174.8 | -75.3 | -9 | 0 | 0 | 0 | 112.9 | E300 K301 R306 R307 Q308 | E300-N304 WeakPolarHBondContact O-CB 3.38Å; E300-N304 PolarHBondContact O-N 3.02Å; K301-N304 PolarHBondContact O-N 3.1Å; N304-R306 VanDerWaalsContact C-N 3.32Å; N304-R306 PolarHBondContact O-N 2.82Å; N304-R307 PolarHBondContact O-N 2.85Å; N304-Q308 PolarHBondContact O-N 2.94Å |
| 305 | Q | 71.1 | Confident | 68.2 | Low | 126 Ų | 126 | 116.3 Ų | 116.3 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.1 | -43.7 | 170.6 | -175.8 | 178.9 | 55.3 | 0 | 0 | 111.2 | K301 L302 R307 Q308 A309 | K301-Q305 WeakPolarHBondContact O-CB 3.1Å; K301-Q305 PolarHBondContact O-N 2.86Å; L302-Q305 PolarHBondContact O-N 3.4Å; Q305-R307 PolarHBondContact O-N 2.71Å; Q305-Q308 PolarHBondContact O-N 2.88Å; Q305-A309 PolarHBondContact O-N 3.14Å |
| 306 | R | 70.4 | Confident | 66.3 | Low | 195 Ų | 195 | 119.4 Ų | 119.4 | 74% | 0.736 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.7 | -39.7 | 174.7 | -163.3 | 178.8 | -169.6 | -160.2 | 2.2 | 112.1 | L302 R303 N304 A309 N310 | L302-R306 PolarHBondContact O-N 3.07Å; R303-R306 PolarHBondContact O-N 3.21Å; N304-R306 VanDerWaalsContact C-N 3.32Å; N304-R306 PolarHBondContact O-N 2.82Å; R306-A309 PolarHBondContact O-N 3.45Å; R306-N310 WeakPolarHBondContact O-CB 3.29Å; R306-N310 PolarHBondContact O-N 3.05Å |
| 307 | R | 67.9 | Low | 64.2 | Low | 164 Ų | 164 | 119.3 Ų | 119.3 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.1 | -38.8 | 175.3 | -79.5 | 176.5 | 163.1 | -179.4 | -7.9 | 113.1 | R303 N304 Q305 N310 N311 | R303-R307 WeakPolarHBondContact O-CG 3.41Å; R303-R307 PolarHBondContact O-N 3.46Å; N304-R307 PolarHBondContact O-N 2.85Å; Q305-R307 PolarHBondContact O-N 2.71Å; R307-N310 PolarHBondContact O-N 3.33Å; R307-N311 PolarHBondContact O-N 3.08Å |
| 308 | Q | 59.7 | Low | 62.1 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.5 | -46.3 | 174.4 | -75 | 177.3 | -18.8 | 0 | 0 | 111.4 | N304 Q305 N310 N311 S312 | N304-Q308 PolarHBondContact O-N 2.94Å; Q305-Q308 PolarHBondContact O-N 2.88Å; Q308-N310 PolarHBondContact O-N 3.36Å; Q308-N311 PolarHBondContact O-N 3.02Å; Q308-N311 VanDerWaalsContact O-N 3.08Å; Q308-S312 PolarHBondContact O-N 3.43Å; Q308-S312 PolarHBondContact O-OG 3.48Å |
| 309 | A | 58.1 | Low | 59.7 | Low | 72 Ų | 72 | 123 Ų | 123 | 60% | 0.595 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -57.6 | -36.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q305 R306 N311 S312 | Q305-A309 PolarHBondContact O-N 3.14Å; R306-A309 PolarHBondContact O-N 3.45Å; A309-N311 VanDerWaalsContact C-N 3.27Å; A309-N311 PolarHBondContact O-N 2.88Å; A309-S312 PolarHBondContact O-N 3.41Å |
| 310 | N | 53.8 | Low | 57.6 | Low | 126 Ų | 126 | 124.4 Ų | 124.4 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -9.1 | 179.1 | -136.1 | 105.5 | 0 | 0 | 0 | 114.5 | R306 R307 Q308 | R306-N310 WeakPolarHBondContact O-CB 3.29Å; R306-N310 PolarHBondContact O-N 3.05Å; R307-N310 PolarHBondContact O-N 3.33Å; Q308-N310 PolarHBondContact O-N 3.36Å |
| 311 | N | 50.3 | Low | 55.6 | Low | 143 Ų | 143 | 127.9 Ų | 127.9 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -1.2 | 173.2 | -153.5 | 52.6 | 0 | 0 | 0 | 112.4 | R307 Q308 A309 | R307-N311 PolarHBondContact O-N 3.08Å; Q308-N311 PolarHBondContact O-N 3.02Å; Q308-N311 VanDerWaalsContact O-N 3.08Å; A309-N311 VanDerWaalsContact C-N 3.27Å; A309-N311 PolarHBondContact O-N 2.88Å |
| 312 | S | 47.5 | Very low | 53.6 | Low | 89 Ų | 89 | 130.7 Ų | 130.7 | 62% | 0.622 | 70% | 0.703 | S | S | * | * | trans | -98.9 | 45.3 | 175 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | Q308 A309 S314 | Q308-S312 PolarHBondContact O-N 3.43Å; Q308-S312 PolarHBondContact O-OG 3.48Å; A309-S312 PolarHBondContact O-N 3.41Å; S312-S314 PolarHBondContact O-N 3.45Å | ||
| 313 | S | 43.3 | Very low | 51.7 | Low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | -79.7 | 57.9 | -169.4 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 314 | S | 44.6 | Very low | 49.5 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -156.1 | 49.6 | 174.8 | 62 | 0 | 0 | 0 | 0 | 113.9 | S312 | S312-S314 PolarHBondContact O-N 3.45Š|
| 315 | H | 41.7 | Very low | 47.5 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | trans | 175.6 | 117.7 | 133 | -159.7 | -96.4 | 0 | 0 | 0 | 111.5 | ||||
| 316 | I | 51.5 | Low | 45.8 | Very low | 145 Ų | 145 | 131 Ų | 131 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | -146.3 | 146 | 163.1 | -4.8 | 177.3 | 0 | 0 | 0 | 108.6 | ||||
| 317 | P | 47.2 | Very low | 44.1 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | -121.7 | 130.4 | 91.9 | -1.1 | 22.2 | 0 | 0 | 0 | 112.5 | |||||
| 318 | I | 41.8 | Very low | 42.4 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | 67.6 | 97.7 | 91 | -60.4 | 167 | 0 | 0 | 0 | 113.4 | |||||
| 319 | S | 35.4 | Very low | 41.1 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -163.7 | 95.8 | 139.6 | -171.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 320 | S | 39.5 | Very low | 39.9 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -169 | 73.2 | 164.5 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 321 | S | 36.7 | Very low | 39.1 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -109.7 | 111.4 | 172.8 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 322 | F | 36.4 | Very low | 38.3 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | -142.2 | 110.5 | 166.6 | -154.9 | -81.8 | 0 | 0 | 0 | 110.6 | ||||
| 323 | S | 36.5 | Very low | 37.8 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -149.5 | 124.3 | 169.5 | -77.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 324 | T | 30.8 | Very low | 37.3 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -67.4 | 139.7 | -169.5 | -39.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 325 | S | 33.7 | Very low | 36.9 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | 146.1 | 142.1 | 108.5 | -150.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 326 | V | 35.9 | Very low | 36.9 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | trans | 48.1 | 132.4 | 156.7 | -68.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 327 | Y | 34.6 | Very low | 36.1 | Very low | 225 Ų | 225 | 137.7 Ų | 137.7 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | 52.3 | 102.3 | 154.9 | -86.4 | -90.3 | 0 | 0 | 0 | 119.4 | ||||
| 328 | Q | 31.8 | Very low | 35.3 | Very low | 199 Ų | 199 | 136.8 Ų | 136.8 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | -162.5 | 173.5 | 114.8 | -107.4 | 172.3 | 18.3 | 0 | 0 | 112 | |||||
| 329 | A | 31.1 | Very low | 34.7 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 158.6 | -161.6 | 0 | 0 | 0 | 0 | 0 | 115 | P331 | A329-P331 WeakPolarHBondContact O-CD 3.29Š|
| 330 | I | 32.7 | Very low | 34.6 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 121.9 | 172.5 | -61.4 | 167.1 | 0 | 0 | 0 | 109.4 | ||
| 331 | P | 37.1 | Very low | 34.3 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 131.5 | 167.6 | -9.4 | 27.1 | 0 | 0 | 0 | 110.1 | A329 | A329-P331 WeakPolarHBondContact O-CD 3.29Š|
| 332 | Q | 34.5 | Very low | 34 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 145.8 | 166.4 | -69.3 | -157.8 | 63 | 0 | 0 | 110.7 | T334 | Q332-T334 PolarHBondContact O-N 3.32Š|
| 333 | P | 36.5 | Very low | 33.9 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.4 | 172.9 | 29.6 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 334 | T | 33.1 | Very low | 33.7 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 124.5 | 178.7 | 45.1 | 0 | 0 | 0 | 0 | 111.9 | Q332 | Q332-T334 PolarHBondContact O-N 3.32Š|
| 335 | T | 35.7 | Very low | 34.1 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -130.4 | 153.9 | 162.3 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 336 | P | 43.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -89 | 170.4 | -135 | 32.4 | -37.9 | 0 | 0 | 0 | 117.4 | ||||
| 337 | V | 33.2 | Very low | 33.8 | Very low | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -52.3 | 156.8 | 179.9 | -62.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 338 | S | 31 | Very low | 34.9 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 62% | 0.622 | 81% | 0.813 | S | S | * | * | -171.3 | 126.2 | 122.6 | -89.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 339 | F | 30.1 | Very low | 34.9 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | trans | 73.3 | 147.3 | 145.4 | -53.9 | -48.1 | 0 | 0 | 0 | 125.4 | ||||
| 340 | T | 32.3 | Very low | 34.9 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 72.5 | 90.2 | 154.4 | 38.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 341 | S | 33.4 | Very low | 35 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | 50.8 | 118 | 112.9 | -50.7 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 342 | G | 31.3 | Very low | 34.9 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | 178.8 | 112.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 343 | S | 33.4 | Very low | 34.9 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | -111 | 147.2 | 171.5 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 344 | M | 32.9 | Very low | 34.7 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | 171.8 | 167.4 | 135.1 | -82.3 | -19.7 | 157.2 | 0 | 0 | 112.1 | ||||
| 345 | L | 39.3 | Very low | 34.8 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -85.3 | 162.3 | -176.4 | -68.7 | 64.2 | 0 | 0 | 0 | 112.5 | ||||
| 346 | G | 29.6 | Very low | 34.8 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | 166.6 | 120.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 347 | R | 32.9 | Very low | 34.4 | Very low | 246 Ų | 246 | 137.2 Ų | 137.2 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | -121.5 | 166.4 | 156.7 | -95.2 | 179.3 | 152.7 | -157.8 | -4.1 | 106.7 | ||||
| 348 | P | 59 | Low | 34.5 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | cis | -108.2 | -154.3 | -32.1 | 27.1 | -3.9 | 0 | 0 | 0 | 108.1 | ||||
| 349 | D | 30.7 | Very low | 35.2 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | cis | -166.4 | 163.3 | 25.6 | -142 | -43.1 | 0 | 0 | 0 | 114 | ||||
| 350 | S | 31.8 | Very low | 36.1 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | 19.8 | 115.5 | 156.4 | -63.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 351 | A | 34.1 | Very low | 36.9 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -151.4 | 146.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 352 | L | 36.1 | Very low | 37.2 | Very low | 167 Ų | 167 | 138 Ų | 138 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -86.6 | 140.1 | -169.6 | -62.8 | 159.6 | 0 | 0 | 0 | 114.1 | ||||
| 353 | T | 34.3 | Very low | 37.9 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | -177.7 | 110.9 | 125 | 19.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 354 | N | 31.3 | Very low | 37.8 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | 37.4 | 127 | 133.1 | -74.6 | -21.7 | 0 | 0 | 0 | 124.8 | ||||
| 355 | T | 35.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | trans | 100.8 | 89.8 | 137.3 | -51.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 356 | Y | 36.4 | Very low | 37.6 | Very low | 212 Ų | 212 | 138.6 Ų | 138.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | 40.4 | 103.6 | 133.2 | -88.2 | -96.8 | 0 | 0 | 0 | 122.1 | ||||
| 357 | S | 34.7 | Very low | 37.8 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | 58.3 | 126.4 | 116.4 | -53.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 358 | A | 34.8 | Very low | 37.8 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -104.7 | 161 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 359 | L | 46.2 | Very low | 36.7 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -144.8 | 143 | 150.6 | -75.6 | -177.3 | 0 | 0 | 0 | 109.9 | ||||
| 360 | P | 49.1 | Very low | 36.8 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 149.4 | 179.1 | 35.7 | -33.9 | 0 | 0 | 0 | 113.6 | ||
| 361 | P | 47.3 | Very low | 36.8 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 152.6 | 176.8 | 35 | -34.6 | 0 | 0 | 0 | 113.9 | ||
| 362 | M | 40.2 | Very low | 37.4 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 140.9 | 171.8 | -78.2 | -79.4 | -74.1 | 0 | 0 | 111.5 | ||
| 363 | P | 47 | Very low | 37.2 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 62% | 0.617 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 138.7 | 174.2 | 32.4 | -33.3 | 0 | 0 | 0 | 112.2 | F365 | P363-F365 HydrophobicContact CB-CE2 4.09Š|
| 364 | S | 30.7 | Very low | 37.3 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -113.1 | 141.5 | 162.6 | -69.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 365 | F | 33.6 | Very low | 38.2 | Very low | 195 Ų | 195 | 140 Ų | 140 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -119.8 | 116.3 | 176.4 | -72.2 | -77.8 | 0 | 0 | 0 | 110.9 | P363 | P363-F365 HydrophobicContact CB-CE2 4.09Š| ||
| 366 | T | 34.2 | Very low | 37.9 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -144.4 | 118.1 | 171.6 | -53.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 367 | M | 34.7 | Very low | 37.6 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 96% | 0.956 | 79% | 0.789 | S | S | * | * | trans | -146.4 | 151.9 | 161.7 | -79.5 | -163.1 | 176.1 | 0 | 0 | 109.7 | ||||
| 368 | A | 32.9 | Very low | 37.5 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -149.5 | 156.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 369 | N | 34.7 | Very low | 37.3 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 65.4 | 155.3 | 175 | -62.8 | 5 | 0 | 0 | 0 | 115.4 | ||||
| 370 | N | 33.7 | Very low | 36.6 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -162.3 | 145.2 | -20.3 | -102.2 | -11 | 0 | 0 | 0 | 107.7 | ||||
| 371 | L | 31.8 | Very low | 35.8 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -145.2 | 157.6 | 161.8 | -94.9 | 112.5 | 0 | 0 | 0 | 111.8 | ||||
| 372 | P | 46.2 | Very low | 35.1 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -98.1 | -176 | -160.3 | 39.3 | -36.6 | 0 | 0 | 0 | 115.4 | ||||
| 373 | M | 31.4 | Very low | 34.8 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -127.5 | 136.7 | -166.4 | 158.9 | -92.6 | -177.9 | 0 | 0 | 112.5 | ||||
| 374 | Q | 36.3 | Very low | 34.5 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -171.8 | 173.9 | 136.3 | -114.8 | -148.3 | 18.7 | 0 | 0 | 112.5 | ||||
| 375 | P | 50.6 | Low | 34.9 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 58% | 0.578 | 78% | 0.778 | S | S | * | * | -134.8 | 178.2 | -115.6 | 44.8 | -27.5 | 0 | 0 | 0 | 116.9 | |||||
| 376 | S | 28.5 | Very low | 35.5 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -178.3 | 145.3 | 132.2 | 32.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 377 | Q | 31.3 | Very low | 35.7 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 21.8 | 139.5 | 152.8 | -38.8 | -57.3 | 66.1 | 0 | 0 | 120.1 | ||||
| 378 | T | 31.9 | Very low | 35.9 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | cis | -155.4 | 162.3 | 43.5 | 48.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 379 | S | 30.1 | Very low | 37 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 16.6 | 136.5 | 140.6 | -167.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 380 | S | 33.3 | Very low | 38 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | cis | -164.5 | -169 | -7.1 | -79.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 381 | Y | 31 | Very low | 38.1 | Very low | 225 Ų | 225 | 135.8 Ų | 135.8 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | cis | -149.1 | -170.7 | 14.2 | -106 | -63.6 | 0 | 0 | 0 | 109.4 | ||||
| 382 | S | 33.7 | Very low | 38.2 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -153 | 149.6 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 383 | C | 34.2 | Very low | 37.5 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -163.2 | 149.2 | 158.2 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 384 | M | 38.8 | Very low | 37.7 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | cis | -161 | 141.7 | -35.5 | -118.3 | -54.2 | 115.2 | 0 | 0 | 107.5 | ||||
| 385 | L | 39.7 | Very low | 37.4 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -127.1 | 144.7 | 165.5 | -87.5 | 91.3 | 0 | 0 | 0 | 109.5 | ||||
| 386 | P | 46.3 | Very low | 36.6 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 140.8 | 173.9 | 32.3 | -33.5 | 0 | 0 | 0 | 112.2 | ||
| 387 | T | 37.7 | Very low | 36.6 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 156.8 | -175.9 | -15.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 388 | S | 40.5 | Very low | 36.6 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 159 | 166.4 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 389 | P | 54.7 | Low | 36.5 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -118.8 | 163.6 | 158.9 | 14 | 7.7 | 0 | 0 | 0 | 113.7 | ||||
| 390 | P | 57.2 | Low | 36.9 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -125.8 | 173.8 | -162.2 | 42.7 | -29.4 | 0 | 0 | 0 | 116.1 | ||||
| 391 | V | 35.5 | Very low | 38.2 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 92% | 0.915 | 79% | 0.791 | S | S | * | * | trans | -140.2 | 150.8 | 157.7 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 392 | N | 33.6 | Very low | 39.2 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -92.2 | 142.3 | -175.6 | -92.6 | -34.6 | 0 | 0 | 0 | 114.6 | ||||
| 393 | G | 31.8 | Very low | 39.3 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | 97.6 | 109.8 | 104.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 394 | R | 34.8 | Very low | 39.3 | Very low | 249 Ų | 249 | 142.7 Ų | 142.7 | 94% | 0.94 | 78% | 0.782 | S | S | * | * | trans | 69.2 | 160.6 | 156.9 | -43 | -173.6 | 178.4 | -159.7 | -1.3 | 114.6 | ||||
| 395 | S | 30.2 | Very low | 39 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | cis | -142.4 | -175.1 | 13.6 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 396 | Y | 33.8 | Very low | 38.6 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -48.6 | 152.6 | 166.2 | 38.8 | -100.1 | 0 | 0 | 0 | 115.6 | ||||
| 397 | E | 28.5 | Very low | 38 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -171.8 | 163.9 | 112.4 | -156.4 | 65.1 | 172.4 | 0 | 0 | 111.1 | |||||
| 398 | T | 32.4 | Very low | 37.7 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | -95 | 142.9 | 177.2 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 399 | Y | 28.8 | Very low | 37.3 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -164.1 | 164.4 | 141.2 | -129.2 | -95.7 | 0 | 0 | 0 | 113.2 | ||||
| 400 | T | 39.4 | Very low | 36.1 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | -121.9 | -172 | -179.6 | -18.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 401 | P | 58.8 | Low | 35 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -91.7 | -169.5 | -134.4 | 44.1 | -33.3 | 0 | 0 | 0 | 114 | ||||
| 402 | P | 53.3 | Low | 34.8 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 84% | 0.844 | 74% | 0.737 | S | S | * | * | -121.6 | 153.9 | 127.3 | 36 | -32.8 | 0 | 0 | 0 | 115.3 | |||||
| 403 | H | 35.7 | Very low | 34.7 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 55% | 0.546 | 73% | 0.734 | S | S | . | * | trans | -68.5 | 153.9 | 174.6 | 159.1 | -88.6 | 0 | 0 | 0 | 113.3 | Q405 | H403-Q405 PolarHBondContact NE2-OE1 3.2Š| ||
| 404 | M | 33.2 | Very low | 34.7 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -156.8 | 136.4 | 132.2 | -97.9 | -90.5 | 85.6 | 0 | 0 | 111.1 | ||||
| 405 | Q | 33.7 | Very low | 34.6 | Very low | 143 Ų | 143 | 137 Ų | 137 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | -91.2 | 168.1 | 174 | -90.2 | 175.7 | -104.5 | 0 | 0 | 110 | H403 | H403-Q405 PolarHBondContact NE2-OE1 3.2Š| ||
| 406 | A | 31.3 | Very low | 34.7 | Very low | 68 Ų | 68 | 139 Ų | 139 | 56% | 0.562 | 74% | 0.74 | S | S | * | * | cis | -172.6 | -160 | -12.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 407 | H | 33.2 | Very low | 34.5 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | trans | 104.2 | 158.2 | 158.6 | -63.7 | -78 | 0 | 0 | 0 | 117.8 | ||||
| 408 | M | 31.6 | Very low | 34.7 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | trans | -127.1 | 172 | -155.9 | -54.8 | 173.3 | 79.1 | 0 | 0 | 110.1 | ||||
| 409 | N | 31.2 | Very low | 34.9 | Very low | 137 Ų | 137 | 131 Ų | 131 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | 123 | 107.5 | 123.2 | -156.1 | 39.8 | 0 | 0 | 0 | 116.6 | |||||
| 410 | S | 30.8 | Very low | 35.2 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | trans | 64 | 150 | 135.8 | 77.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 411 | Q | 33.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | 68 | 148.3 | 157.2 | -68.6 | 172.3 | 65 | 0 | 0 | 116.4 | ||||
| 412 | S | 31.3 | Very low | 33.8 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | cis | 160.8 | 163 | -35.4 | 50.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 413 | M | 32.8 | Very low | 33 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | 96.1 | 136.6 | 161.4 | -60.4 | -59 | 178.9 | 0 | 0 | 120.2 | ||||
| 414 | T | 31.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 84.4 | 114.6 | 140.1 | 42.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 415 | T | 31.2 | Very low | 33.2 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | 79 | 108.9 | 128.9 | 53.9 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 416 | S | 33.3 | Very low | 34 | Very low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | 59.3 | 139.5 | 107.8 | -48.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 417 | G | 30.1 | Very low | 34 | Very low | 63 Ų | 63 | 124.1 Ų | 124.1 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | 129.1 | 84.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 418 | T | 33 | Very low | 34.1 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | 73.7 | 113 | 85.2 | 59.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 419 | T | 35 | Very low | 34.4 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 69.2 | 127 | 137.6 | 56.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 420 | S | 35.2 | Very low | 34.9 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | 104.3 | 134.1 | 128.6 | 73.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 421 | T | 34.2 | Very low | 35.6 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | 51.8 | 135.1 | 151.1 | 48.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 422 | G | 34.2 | Very low | 36 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | 162.4 | -156.3 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 423 | L | 38.5 | Very low | 36.1 | Very low | 165 Ų | 165 | 123 Ų | 123 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | 88 | 111.3 | 164.2 | -59.2 | -177.4 | 0 | 0 | 0 | 120.7 | ||||
| 424 | I | 37.1 | Very low | 36.5 | Very low | 152 Ų | 152 | 121 Ų | 121 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | 47 | 126.7 | 146 | 47.8 | 160.1 | 0 | 0 | 0 | 121.4 | ||||
| 425 | S | 34.1 | Very low | 37.1 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | 97.9 | 158.9 | 40.5 | -73.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 426 | P | 50.9 | Low | 37.6 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | -131.8 | 178.5 | -7.7 | 39.6 | -23.5 | 0 | 0 | 0 | 115.6 | ||||
| 427 | G | 32.2 | Very low | 37.8 | Very low | 71 Ų | 71 | 117.6 Ų | 117.6 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | 115.8 | 106.5 | 132.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 428 | V | 35.3 | Very low | 38.2 | Very low | 148 Ų | 148 | 122.8 Ų | 122.8 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | -175.5 | 145.9 | 124.2 | 145.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 429 | S | 38.3 | Very low | 39.3 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -94.5 | 157.9 | -161.7 | -50.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 430 | V | 40.4 | Very low | 39.2 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | -119.4 | 141.7 | 170 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | V432 | V430-V432 HydrophobicContact CG1-CG2 4.05Š| ||
| 431 | P | 45.8 | Very low | 39.1 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -109.1 | 126 | 155.2 | 33.7 | -24.1 | 0 | 0 | 0 | 111.3 | ||||
| 432 | V | 41.4 | Very low | 39.1 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | trans | -108.7 | 138.2 | 164.1 | 170.4 | 0 | 0 | 0 | 0 | 107.5 | V430 | V430-V432 HydrophobicContact CG1-CG2 4.05Š| ||
| 433 | Q | 33.1 | Very low | 39.2 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -137.6 | 119.9 | 173.6 | -166.4 | 67.7 | 28.1 | 0 | 0 | 111 | ||||
| 434 | V | 41.5 | Very low | 39 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | trans | -146.6 | 119.2 | 172 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 435 | P | 45.6 | Very low | 38.9 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | -87.2 | 151.4 | 154.1 | -7 | 27.3 | 0 | 0 | 0 | 109.7 | ||||
| 436 | G | 40.8 | Very low | 39.1 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | 85.3 | 123.4 | 23.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 437 | S | 36.4 | Very low | 38.5 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | cis | -156 | -170.8 | 13.3 | 48 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 438 | E | 39 | Very low | 39.1 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -149.5 | -174.7 | 12.3 | -107.8 | -45.1 | 72.8 | 0 | 0 | 109.2 | ||||
| 439 | P | 57.3 | Low | 39.6 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | trans | -116.6 | -176.5 | -161 | 45.3 | -39.2 | 0 | 0 | 0 | 116.8 | ||||
| 440 | D | 33.2 | Very low | 39.6 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | 167.5 | 157.8 | 111.2 | -166.6 | 22.7 | 0 | 0 | 0 | 113.5 | |||||
| 441 | M | 33.1 | Very low | 39.6 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | 58.2 | 150.1 | 166 | -72.1 | -69.9 | 98.8 | 0 | 0 | 118.8 | ||||
| 442 | S | 32.8 | Very low | 39.3 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | cis | -167 | 141.2 | -9.7 | 46.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 443 | Q | 37.5 | Very low | 39.1 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 59.8 | 158.7 | 145.1 | -60 | 175.1 | 0.1 | 0 | 0 | 118.7 | ||||
| 444 | Y | 33.4 | Very low | 39.5 | Very low | 204 Ų | 204 | 150 Ų | 150 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | cis | -148.5 | 173.7 | -14.7 | -140.7 | -125.1 | 0 | 0 | 0 | 110.1 | ||||
| 445 | W | 35.2 | Very low | 39.4 | Very low | 221 Ų | 221 | 151.9 Ų | 151.9 | 84% | 0.837 | 79% | 0.786 | S | S | * | * | trans | -71 | 152.8 | 172.1 | -70.5 | 83.2 | 0 | 0 | 0 | 112.2 | ||||
| 446 | S | 38.1 | Very low | 38.9 | Very low | 107 Ų | 107 | 155.4 Ų | 155.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | 169.3 | 166 | 92.8 | -73.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 447 | R | 38.4 | Very low | 38.8 | Very low | 231 Ų | 231 | 161.5 Ų | 161.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | cis | -172 | 157 | -28 | -172.9 | 179.4 | -158 | -157 | 7.2 | 105.5 | ||||
| 448 | L | 45.2 | Very low | 39 | Very low | 170 Ų | 170 | 166 Ų | 166 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -48.1 | 138.2 | 172.3 | -72.3 | 150.6 | 0 | 0 | 0 | 113.8 | ||||
| 449 | Q | 44.8 | Very low | 39 | Very low | 260 Ų | 260 | 165.5 Ų | 165.5 | 100% | 1.215 | 80% | 0.799 | S | S | * | * | -142.2 | 0 | 118.9 | -167.4 | 161.5 | 4.9 | 0 | 0 | 109.7 |
Retrieved 449 of 449 residues in 196.9 ms
(Link to these results)