| 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 | 46.3 | Very low | 57 | Low | 249 Ų | 249 | 149 Ų | 149 | 100% | 1.227 | 82% | 0.823 | S | S | * | * | 0 | 106.2 | 0 | -148.3 | 165 | 88.4 | 0 | 0 | 106.9 | |||||
| 2 | A | 52.6 | Low | 58.1 | Low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80 | 140.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K4 | A2-K4 PolarHBondContact O-N 3.41Š|
| 3 | P | 58 | Low | 59.1 | Low | 128 Ų | 128 | 146.4 Ų | 146.4 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 130.3 | 177.9 | 27.1 | -31.1 | 0 | 0 | 0 | 110.6 | A5 | P3-A5 PolarHBondContact O-N 3.28Š|
| 4 | K | 51.5 | Low | 60.4 | Low | 208 Ų | 208 | 141.1 Ų | 141.1 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69 | 126.4 | 176.5 | -76.7 | 178.8 | 176.7 | 172.6 | 0 | 109.9 | A2 K6 | A2-K4 PolarHBondContact O-N 3.41Å; K4-K6 PolarHBondContact O-N 3.36Å |
| 5 | A | 55 | Low | 61.4 | Low | 96 Ų | 96 | 137.1 Ų | 137.1 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 132.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P3 K7 | P3-A5 PolarHBondContact O-N 3.28Å; A5-K7 PolarHBondContact O-N 3Å |
| 6 | K | 52.5 | Low | 62.7 | Low | 207 Ų | 207 | 132.1 Ų | 132.1 | 90% | 0.9 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121 | 171.4 | -73.6 | 179.6 | 177.2 | 176.9 | 0 | 108.3 | K4 E8 | K4-K6 PolarHBondContact O-N 3.36Å; K6-E8 PolarHBondContact O-N 2.93Å |
| 7 | K | 52 | Low | 64.1 | Low | 209 Ų | 209 | 133.1 Ų | 133.1 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.9 | 172.1 | -78.3 | -178.9 | 175.2 | 179.2 | 0 | 108.8 | A5 | A5-K7 PolarHBondContact O-N 3Š|
| 8 | E | 60.8 | Low | 65.1 | Low | 181 Ų | 181 | 128.4 Ų | 128.4 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -63 | 142.3 | 168.9 | -67.8 | 178.8 | 164.8 | 0 | 0 | 110.5 | K6 V10 | K6-E8 PolarHBondContact O-N 2.93Å; E8-V10 PolarHBondContact O-N 3.4Å |
| 9 | A | 60.8 | Low | 66.1 | Low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 121.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 10 | V | 64.6 | Low | 67.1 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 51% | 0.509 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 135 | 179.1 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | E8 A12 T14 E15 | E8-V10 PolarHBondContact O-N 3.4Å; V10-A12 PolarHBondContact O-N 3.48Å; V10-T14 VanDerWaalsContact CG1-OG1 3.24Å; V10-T14 WeakPolarHBondContact CG1-OG1 3.45Å; V10-E15 HydrophobicContact CB-CG 4.25Å; V10-E15 HydrophobicContact CG1-CG 4.18Å |
| 11 | P | 72.9 | Confident | 68 | Low | 85 Ų | 85 | 123.8 Ų | 123.8 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127.5 | -175.8 | 21 | -31.7 | 0 | 0 | 0 | 111.4 | K13 T14 | P11-K13 PolarHBondContact O-N 3.45Å; P11-T14 HydrophobicContact CG-CG2 3.97Å; P11-T14 PolarHBondContact O-N 3.48Å; P11-T14 PolarHBondContact O-OG1 3.47Å |
| 12 | A | 70.1 | Confident | 69.7 | Low | 77 Ų | 77 | 119 Ų | 119 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -50 | -31.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V10 T14 E15 A16 | V10-A12 PolarHBondContact O-N 3.48Å; A12-T14 PolarHBondContact O-N 2.84Å; A12-E15 PolarHBondContact O-N 3.48Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.33Å |
| 13 | K | 71.8 | Confident | 71.1 | Confident | 187 Ų | 187 | 117.3 Ų | 117.3 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.5 | -36.9 | 176.8 | -65.4 | -174.1 | -178.8 | 179.7 | 0 | 112.9 | P11 K17 | P11-K13 PolarHBondContact O-N 3.45Å; K13-K17 WeakPolarHBondContact O-CB 3.43Å; K13-K17 PolarHBondContact O-N 2.68Å |
| 14 | T | 76.6 | Confident | 72.3 | Confident | 72 Ų | 72 | 117.8 Ų | 117.8 | 44% | 0.442 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74 | -35.9 | 178.7 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | V10 P11 A12 K17 S18 | V10-T14 VanDerWaalsContact CG1-OG1 3.24Å; V10-T14 WeakPolarHBondContact CG1-OG1 3.45Å; P11-T14 HydrophobicContact CG-CG2 3.97Å; P11-T14 PolarHBondContact O-N 3.48Å; P11-T14 PolarHBondContact O-OG1 3.47Å; A12-T14 PolarHBondContact O-N 2.84Å; T14-K17 PolarHBondContact O-N 2.74Å; T14-S18 WeakPolarHBondContact O-CB 3.24Å; T14-S18 PolarHBondContact O-N 3.07Å |
| 15 | E | 75.7 | Confident | 73.7 | Confident | 82 Ų | 82 | 115.2 Ų | 115.2 | 38% | 0.383 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.1 | -46 | 172.6 | -65.1 | -162.6 | 160.3 | 0 | 0 | 111.7 | V10 A12 K17 S18 K19 | V10-E15 HydrophobicContact CB-CG 4.25Å; V10-E15 HydrophobicContact CG1-CG 4.18Å; A12-E15 PolarHBondContact O-N 3.48Å; E15-K17 PolarHBondContact O-N 2.96Å; E15-S18 PolarHBondContact O-N 3.48Å; E15-S18 PolarHBondContact O-OG 3.44Å; E15-K19 WeakPolarHBondContact O-CG 3.49Å; E15-K19 PolarHBondContact O-N 3.25Å |
| 16 | A | 81.9 | Confident | 74.7 | Confident | 57 Ų | 57 | 112.5 Ų | 112.5 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.3 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A12 S18 K19 A20 | A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.33Å; A16-S18 VanDerWaalsContact C-N 3.33Å; A16-S18 PolarHBondContact O-N 2.92Å; A16-K19 PolarHBondContact O-N 3.19Å; A16-A20 WeakPolarHBondContact O-CB 3.33Å; A16-A20 PolarHBondContact O-N 2.91Å |
| 17 | K | 86.8 | Confident | 76.1 | Confident | 149 Ų | 149 | 108.6 Ų | 108.6 | 65% | 0.648 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62 | -40.5 | 175.3 | -167.2 | 174.6 | -177.1 | 177.7 | 0 | 111.7 | K13 T14 E15 A20 L21 | K13-K17 WeakPolarHBondContact O-CB 3.43Å; K13-K17 PolarHBondContact O-N 2.68Å; T14-K17 PolarHBondContact O-N 2.74Å; E15-K17 PolarHBondContact O-N 2.96Å; K17-A20 PolarHBondContact O-N 2.99Å; K17-L21 HydrophobicContact CG-CD1 4.3Å; K17-L21 WeakPolarHBondContact O-CB 3.26Å; K17-L21 VanDerWaalsContact O-CG 3.25Å; K17-L21 WeakPolarHBondContact O-CG 3.43Å; K17-L21 PolarHBondContact O-N 3.48Å |
| 18 | S | 81.9 | Confident | 77.3 | Confident | 49 Ų | 49 | 104.9 Ų | 104.9 | 34% | 0.343 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.2 | -38.3 | 176.8 | 84.3 | 0 | 0 | 0 | 0 | 112.5 | T14 E15 A16 K22 | T14-S18 WeakPolarHBondContact O-CB 3.24Å; T14-S18 PolarHBondContact O-N 3.07Å; E15-S18 PolarHBondContact O-N 3.48Å; E15-S18 PolarHBondContact O-OG 3.44Å; A16-S18 VanDerWaalsContact C-N 3.33Å; A16-S18 PolarHBondContact O-N 2.92Å; S18-K22 WeakPolarHBondContact O-CB 3.25Å; S18-K22 VanDerWaalsContact O-CG 3.26Å; S18-K22 WeakPolarHBondContact O-CG 3.44Å; S18-K22 PolarHBondContact O-N 2.99Å |
| 19 | K | 84.3 | Confident | 77.9 | Confident | 134 Ų | 134 | 103.7 Ų | 103.7 | 58% | 0.583 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.6 | -45.4 | 176.4 | -72.7 | 171.9 | -175.5 | 172.3 | 0 | 110.7 | E15 A16 L21 K22 A23 | E15-K19 WeakPolarHBondContact O-CG 3.49Å; E15-K19 PolarHBondContact O-N 3.25Å; A16-K19 PolarHBondContact O-N 3.19Å; K19-L21 PolarHBondContact O-N 2.89Å; K19-K22 PolarHBondContact O-N 3.49Å; K19-A23 WeakPolarHBondContact O-CB 3.37Å; K19-A23 PolarHBondContact O-N 3.29Å |
| 20 | A | 85.3 | Confident | 78.4 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 50% | 0.496 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.2 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A16 K17 K22 A23 K24 | A16-A20 WeakPolarHBondContact O-CB 3.33Å; A16-A20 PolarHBondContact O-N 2.91Å; K17-A20 PolarHBondContact O-N 2.99Å; A20-K22 PolarHBondContact O-N 3.34Å; A20-A23 PolarHBondContact O-N 3.07Å; A20-K24 WeakPolarHBondContact O-CB 3.34Å; A20-K24 PolarHBondContact O-N 2.89Å |
| 21 | L | 86.7 | Confident | 78.6 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -36.3 | 177.1 | -70.7 | 173.9 | 0 | 0 | 0 | 112.5 | K17 K19 K25 | K17-L21 HydrophobicContact CG-CD1 4.3Å; K17-L21 WeakPolarHBondContact O-CB 3.26Å; K17-L21 VanDerWaalsContact O-CG 3.25Å; K17-L21 WeakPolarHBondContact O-CG 3.43Å; K17-L21 PolarHBondContact O-N 3.48Å; K19-L21 PolarHBondContact O-N 2.89Å; L21-K25 WeakPolarHBondContact O-CB 3.4Å; L21-K25 WeakPolarHBondContact O-CG 3.45Å; L21-K25 PolarHBondContact O-N 3.49Å |
| 22 | K | 81.3 | Confident | 78.4 | Confident | 148 Ų | 148 | 106.4 Ų | 106.4 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66 | -44.5 | 173.1 | -77.2 | 174.4 | -178 | 177.8 | 0 | 111.5 | S18 K19 A20 K25 A26 | S18-K22 WeakPolarHBondContact O-CB 3.25Å; S18-K22 VanDerWaalsContact O-CG 3.26Å; S18-K22 WeakPolarHBondContact O-CG 3.44Å; S18-K22 PolarHBondContact O-N 2.99Å; K19-K22 PolarHBondContact O-N 3.49Å; A20-K22 PolarHBondContact O-N 3.34Å; K22-K25 PolarHBondContact O-N 3.36Å; K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 3.13Å |
| 23 | A | 82.7 | Confident | 78.1 | Confident | 55 Ų | 55 | 105.8 Ų | 105.8 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.9 | -46.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K19 A20 K25 A26 V27 | K19-A23 WeakPolarHBondContact O-CB 3.37Å; K19-A23 PolarHBondContact O-N 3.29Å; A20-A23 PolarHBondContact O-N 3.07Å; A23-K25 VanDerWaalsContact C-N 3.33Å; A23-K25 PolarHBondContact O-N 3.29Å; A23-A26 PolarHBondContact O-N 2.93Å; A23-A26 VanDerWaalsContact O-N 3.17Å; A23-V27 WeakPolarHBondContact O-CG2 3.36Å; A23-V27 PolarHBondContact O-N 3.17Å |
| 24 | K | 84.3 | Confident | 77.9 | Confident | 139 Ų | 139 | 105.1 Ų | 105.1 | 60% | 0.604 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.8 | -43.4 | 175.4 | -174.7 | 176.1 | -179.3 | 175.7 | 0 | 112.2 | A20 L28 | A20-K24 WeakPolarHBondContact O-CB 3.34Å; A20-K24 PolarHBondContact O-N 2.89Å; K24-L28 HydrophobicContact CG-CD1 4.13Å; K24-L28 WeakPolarHBondContact O-CG 3.37Å; K24-L28 PolarHBondContact O-N 2.89Å; K24-L28 VanDerWaalsContact O-N 3.13Å |
| 25 | K | 79.7 | Confident | 77.4 | Confident | 153 Ų | 153 | 112.9 Ų | 112.9 | 67% | 0.665 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -38.9 | 176.8 | -76.3 | 179.9 | 179.4 | -178.6 | 0 | 112.5 | L21 K22 A23 K29 | L21-K25 WeakPolarHBondContact O-CB 3.4Å; L21-K25 WeakPolarHBondContact O-CG 3.45Å; L21-K25 PolarHBondContact O-N 3.49Å; K22-K25 PolarHBondContact O-N 3.36Å; A23-K25 VanDerWaalsContact C-N 3.33Å; A23-K25 PolarHBondContact O-N 3.29Å; K25-K29 PolarHBondContact O-N 3.04Å |
| 26 | A | 77.1 | Confident | 77.3 | Confident | 39 Ų | 39 | 118.5 Ų | 118.5 | 32% | 0.322 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67 | -38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K22 A23 G30 V31 | K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 3.13Å; A23-A26 PolarHBondContact O-N 2.93Å; A23-A26 VanDerWaalsContact O-N 3.17Å; A26-G30 CarbonylContact O-C 3.6Å; A26-G30 WeakPolarHBondContact O-CA 3.08Å; A26-G30 PolarHBondContact O-N 3.18Å; A26-V31 HydrophobicContact CB-CG2 4.2Å |
| 27 | V | 80.4 | Confident | 77.2 | Confident | 126 Ų | 126 | 124.7 Ų | 124.7 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.1 | -45.8 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | A23 | A23-V27 WeakPolarHBondContact O-CG2 3.36Å; A23-V27 PolarHBondContact O-N 3.17Å |
| 28 | L | 78 | Confident | 77 | Confident | 130 Ų | 130 | 126.7 Ų | 126.7 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.2 | -42.4 | -176 | -74.3 | 170.5 | 0 | 0 | 0 | 114 | K24 | K24-L28 HydrophobicContact CG-CD1 4.13Å; K24-L28 WeakPolarHBondContact O-CG 3.37Å; K24-L28 PolarHBondContact O-N 2.89Å; K24-L28 VanDerWaalsContact O-N 3.13Å |
| 29 | K | 72.8 | Confident | 77.3 | Confident | 156 Ų | 156 | 131.4 Ų | 131.4 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -108.3 | -6.7 | -172.1 | -70.4 | -168 | 175 | -174.6 | 0 | 113.8 | K25 S33 | K25-K29 PolarHBondContact O-N 3.04Å; K29-S33 VanDerWaalsContact O-CA 3.31Å; K29-S33 WeakPolarHBondContact O-CA 3.09Å; K29-S33 WeakPolarHBondContact O-CB 3.31Å |
| 30 | G | 72.8 | Confident | 77.6 | Confident | 37 Ų | 37 | 133.4 Ų | 133.4 | 38% | 0.381 | 66% | 0.656 | S | S | . | * | trans | 70.7 | 152.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A26 H32 S33 | A26-G30 CarbonylContact O-C 3.6Å; A26-G30 WeakPolarHBondContact O-CA 3.08Å; A26-G30 PolarHBondContact O-N 3.18Å; G30-H32 PolarHBondContact O-N 2.95Å; G30-S33 PolarHBondContact O-N 3.37Å | ||
| 31 | V | 68.4 | Low | 78 | Confident | 124 Ų | 124 | 137.2 Ų | 137.2 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -24 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | A26 | A26-V31 HydrophobicContact CB-CG2 4.2Š|
| 32 | H | 68.3 | Low | 78.3 | Confident | 168 Ų | 168 | 135.5 Ų | 135.5 | 78% | 0.778 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 54.9 | 176.3 | -64.2 | -47.9 | 0 | 0 | 0 | 112.6 | G30 Q34 | G30-H32 PolarHBondContact O-N 2.95Å; H32-Q34 PolarHBondContact O-N 3.45Å |
| 33 | S | 63.3 | Low | 78.9 | Confident | 63 Ų | 63 | 135 Ų | 135 | 44% | 0.441 | 68% | 0.681 | S | S | . | * | trans | -66.9 | -19.3 | -174.2 | 82.4 | 0 | 0 | 0 | 0 | 115.6 | K29 G30 R35 | K29-S33 VanDerWaalsContact O-CA 3.31Å; K29-S33 WeakPolarHBondContact O-CA 3.09Å; K29-S33 WeakPolarHBondContact O-CB 3.31Å; G30-S33 PolarHBondContact O-N 3.37Å; S33-R35 PolarHBondContact O-N 3.22Å | ||
| 34 | Q | 67.3 | Low | 79.5 | Confident | 173 Ų | 173 | 136.6 Ų | 136.6 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | trans | -101.4 | 63.3 | -174.6 | -67.8 | -82.1 | -4.1 | 0 | 0 | 110.4 | H32 K36 | H32-Q34 PolarHBondContact O-N 3.45Å; Q34-K36 VanDerWaalsContact C-N 3.35Å; Q34-K36 PolarHBondContact O-N 3.18Å | ||
| 35 | R | 66.4 | Low | 80 | Confident | 235 Ų | 235 | 137.8 Ų | 137.8 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | trans | -75.7 | 88.5 | 167.9 | -107.2 | -176.3 | 177.8 | 177.7 | 0.4 | 109.2 | S33 K37 | S33-R35 PolarHBondContact O-N 3.22Å; R35-K37 PolarHBondContact O-N 3.03Å | ||
| 36 | K | 73.9 | Confident | 80.7 | Confident | 201 Ų | 201 | 139.9 Ų | 139.9 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -71.1 | 107.8 | 175 | -166.4 | 170.6 | -175.6 | 174.2 | 0 | 109.7 | Q34 | Q34-K36 VanDerWaalsContact C-N 3.35Å; Q34-K36 PolarHBondContact O-N 3.18Å | ||
| 37 | K | 79.6 | Confident | 81.5 | Confident | 186 Ų | 186 | 147 Ų | 147 | 81% | 0.809 | 71% | 0.713 | S | S | * | * | trans | -71.7 | 137.2 | 174.1 | -63.9 | -179 | -177.8 | 178 | 0 | 109.5 | R35 I39 | R35-K37 PolarHBondContact O-N 3.03Å; K37-I39 PolarHBondContact O-N 3.25Å | ||
| 38 | K | 83 | Confident | 82.2 | Confident | 192 Ų | 192 | 145.1 Ų | 145.1 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | -75.9 | 105.5 | 169.9 | -87.2 | 180 | 177.7 | 172.7 | 0 | 108.9 | ||||
| 39 | I | 88.6 | Confident | 83.1 | Confident | 147 Ų | 147 | 149.2 Ų | 149.2 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -76.4 | 132 | 175.4 | -57.3 | 174.8 | 0 | 0 | 0 | 108.7 | K37 T41 | K37-I39 PolarHBondContact O-N 3.25Å; I39-T41 HydrophobicContact CG2-CG2 4.35Å | ||
| 40 | R | 90.4 | Very high | 84.2 | Confident | 177 Ų | 177 | 146.2 Ų | 146.2 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | trans | -101.8 | 114.6 | 171.3 | -60.5 | -64.1 | -174.6 | 136.9 | 4 | 107.4 | ||||
| 41 | T | 93.4 | Very high | 85.4 | Confident | 140 Ų | 140 | 151.4 Ų | 151.4 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | trans | -89.9 | -9.5 | -178.1 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | I39 | I39-T41 HydrophobicContact CG2-CG2 4.35Š| ||
| 42 | S | 92.6 | Very high | 86.8 | Confident | 56 Ų | 56 | 154.9 Ų | 154.9 | 39% | 0.392 | 73% | 0.728 | S | S | . | * | trans | -110.1 | 138.9 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | T44 | S42-T44 VanDerWaalsContact C-N 3.26Å; S42-T44 PolarHBondContact O-N 3.46Å; S42-T44 PolarHBondContact OG-N 3.45Å; S42-T44 PolarHBondContact OG-OG1 3.42Å | ||
| 43 | P | 93.7 | Very high | 88.2 | Confident | 138 Ų | 138 | 154.1 Ų | 154.1 | 90% | 0.896 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -72.9 | -20 | 173.7 | 30.7 | -34.7 | 0 | 0 | 0 | 112.4 | ||
| 44 | T | 96 | Very high | 89.8 | Confident | 89 Ų | 89 | 162.1 Ų | 162.1 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -86.9 | 125.5 | 177.9 | 38.2 | 0 | 0 | 0 | 0 | 112.2 | S42 | S42-T44 VanDerWaalsContact C-N 3.26Å; S42-T44 PolarHBondContact O-N 3.46Å; S42-T44 PolarHBondContact OG-N 3.45Å; S42-T44 PolarHBondContact OG-OG1 3.42Å |
| 45 | F | 94.6 | Very high | 91.2 | Very high | 164 Ų | 164 | 164.6 Ų | 164.6 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -81 | 120.1 | 173.2 | -173.7 | -95.8 | 0 | 0 | 0 | 110.8 | ||||
| 46 | R | 94.6 | Very high | 92.6 | Very high | 196 Ų | 196 | 162.1 Ų | 162.1 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -104.6 | 139.2 | 174 | -62.4 | -177.2 | -174.9 | -175 | 0.6 | 110.1 | ||||
| 47 | R | 94.4 | Very high | 93.7 | Very high | 190 Ų | 190 | 157.4 Ų | 157.4 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 125.9 | 173 | -170.8 | 175.7 | 76 | 176 | -5.2 | 109.3 | ||
| 48 | P | 94.4 | Very high | 94.6 | Very high | 86 Ų | 86 | 158.7 Ų | 158.7 | 56% | 0.558 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145.3 | 177.4 | 26.6 | -34.1 | 0 | 0 | 0 | 109.9 | T50 | P48-T50 PolarHBondContact O-N 3.29Š|
| 49 | K | 96.6 | Very high | 95.2 | Very high | 215 Ų | 215 | 158 Ų | 158 | 94% | 0.935 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 119.6 | 171.5 | -67.8 | -178.7 | -179.3 | 179.2 | 0 | 107.9 | ||
| 50 | T | 96.7 | Very high | 95.6 | Very high | 94 Ų | 94 | 155.7 Ų | 155.7 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -99 | 156.9 | 174.4 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | P48 R52 | P48-T50 PolarHBondContact O-N 3.29Å; T50-R52 PolarHBondContact O-N 3.2Å |
| 51 | L | 97 | Very high | 95.9 | Very high | 145 Ų | 145 | 158.3 Ų | 158.3 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131.2 | 173 | -180 | 146.5 | 0 | 0 | 0 | 109.5 | L53 | L51-L53 HydrophobicContact CD2-CD1 4.39Å; L51-L53 HydrophobicContact CD2-CD2 3.54Å; L51-L53 HydrophobicContact CD2-CG 3.5Å; L51-L53 VanDerWaalsContact CD2-CG 3.5Å |
| 52 | R | 97 | Very high | 96 | Very high | 197 Ų | 197 | 157.1 Ų | 157.1 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -118.5 | 104.8 | 175.1 | -69.2 | -177.8 | 176.6 | -176.4 | -3.2 | 108.6 | T50 | T50-R52 PolarHBondContact O-N 3.2Š| ||
| 53 | L | 97.7 | Very high | 96.2 | Very high | 152 Ų | 152 | 160.7 Ų | 160.7 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 147.7 | 177.1 | -66.9 | 172.1 | 0 | 0 | 0 | 110.7 | L51 | L51-L53 HydrophobicContact CD2-CD1 4.39Å; L51-L53 HydrophobicContact CD2-CD2 3.54Å; L51-L53 HydrophobicContact CD2-CG 3.5Å; L51-L53 VanDerWaalsContact CD2-CG 3.5Å |
| 54 | R | 97.6 | Very high | 96.3 | Very high | 231 Ų | 231 | 157 Ų | 157 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 152.2 | 166.9 | -75.3 | -177 | 158.8 | -171 | -5 | 109.6 | Q56 | R54-Q56 PolarHBondContact O-N 2.89Š|
| 55 | R | 97.3 | Very high | 96.3 | Very high | 226 Ų | 226 | 158.8 Ų | 158.8 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66 | 129.4 | 175.7 | -69.1 | -177.2 | 173.6 | 174.9 | -1.9 | 109.9 | ||
| 56 | Q | 96.3 | Very high | 96.3 | Very high | 183 Ų | 183 | 160.8 Ų | 160.8 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -123.5 | 83.4 | 172 | -69.3 | 178.8 | -13.7 | 0 | 0 | 108.1 | R54 | R54-Q56 PolarHBondContact O-N 2.89Š| ||
| 57 | P | 97 | Very high | 96.3 | Very high | 102 Ų | 102 | 161.2 Ų | 161.2 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | trans | -68.6 | 144.2 | -179.8 | 30 | -34.3 | 0 | 0 | 0 | 110.7 | Y59 | P57-Y59 VanDerWaalsContact C-N 3.31Å; P57-Y59 PolarHBondContact O-N 3.26Å | ||
| 58 | K | 97.8 | Very high | 96.3 | Very high | 213 Ų | 213 | 158 Ų | 158 | 93% | 0.926 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -71.2 | -25.2 | -179.7 | -67.2 | -174.2 | 177.7 | -177.1 | 0 | 113.7 | ||
| 59 | Y | 96.1 | Very high | 96.2 | Very high | 177 Ų | 177 | 161.8 Ų | 161.8 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -141 | 149.3 | 178.2 | 57.6 | -92.3 | 0 | 0 | 0 | 109.9 | P57 | P57-Y59 VanDerWaalsContact C-N 3.31Å; P57-Y59 PolarHBondContact O-N 3.26Å |
| 60 | P | 96.4 | Very high | 96.1 | Very high | 98 Ų | 98 | 153.3 Ų | 153.3 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | trans | -70.7 | 141.8 | 174.8 | 30.7 | -34.8 | 0 | 0 | 0 | 110.4 | K62 | P60-K62 PolarHBondContact O-N 3.48Š| ||
| 61 | R | 95.9 | Very high | 96.1 | Very high | 232 Ų | 232 | 152.4 Ų | 152.4 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -68.8 | -18.1 | 178.6 | -71.5 | -173.2 | 176.2 | -177 | -4.7 | 114.1 | ||
| 62 | K | 96.5 | Very high | 96.1 | Very high | 115 Ų | 115 | 149 Ų | 149 | 50% | 0.5 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -135.3 | 137.1 | 177 | -67.3 | 178 | -178.1 | 162.1 | 0 | 107.1 | P60 A64 R66 | P60-K62 PolarHBondContact O-N 3.48Å; K62-A64 VanDerWaalsContact C-N 3.34Å; K62-R66 VanDerWaalsContact NZ-NH1 3.14Å |
| 63 | S | 95.9 | Very high | 96 | Very high | 132 Ų | 132 | 147.8 Ų | 147.8 | 92% | 0.923 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -64.5 | -38.9 | 179.2 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 64 | A | 95.9 | Very high | 96 | Very high | 59 Ų | 59 | 142.3 Ų | 142.3 | 49% | 0.488 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -130.6 | 150.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K62 | K62-A64 VanDerWaalsContact C-N 3.34Š|
| 65 | P | 95.9 | Very high | 96 | Very high | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 151 | 168.7 | 29.1 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 66 | R | 95.9 | Very high | 96 | Very high | 206 Ų | 206 | 121.2 Ų | 121.2 | 78% | 0.777 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -79 | 139 | 177.1 | -70.8 | -178.9 | 173 | 153.5 | -7.6 | 110 | K62 | K62-R66 VanDerWaalsContact NZ-NH1 3.14Š|
| 67 | R | 94.7 | Very high | 96 | Very high | 205 Ų | 205 | 117.1 Ų | 117.1 | 77% | 0.774 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 145.6 | 168 | 69.8 | 179.6 | -179.4 | 123.9 | -6.6 | 111 | K69 | R67-K69 PolarHBondContact O-N 3.37Š|
| 68 | N | 92.8 | Very high | 96 | Very high | 122 Ų | 122 | 116.7 Ų | 116.7 | 65% | 0.652 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 123.1 | 168.8 | -174.9 | 13.3 | 0 | 0 | 0 | 108.7 | L70 | N68-L70 PolarHBondContact ND2-O 2.65Å; N68-L70 PolarHBondContact OD1-N 3Å |
| 69 | K | 93.3 | Very high | 95.9 | Very high | 166 Ų | 166 | 108 Ų | 108 | 72% | 0.722 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -90.3 | -17.2 | 176.8 | -67.9 | -174.8 | 173.3 | -170.6 | 0 | 112.7 | R67 | R67-K69 PolarHBondContact O-N 3.37Š|
| 70 | L | 95.4 | Very high | 96 | Very high | 38 Ų | 38 | 100.5 Ų | 100.5 | 20% | 0.199 | 49% | 0.49 | C | S | . | . | trans | -102.8 | 72.4 | -179.4 | -161.7 | 93 | 0 | 0 | 0 | 108.3 | N68 I75 D100 | N68-L70 PolarHBondContact ND2-O 2.65Å; N68-L70 PolarHBondContact OD1-N 3Å; L70-I75 HydrophobicContact CD2-CD1 4.36Å; L70-I75 HydrophobicContact CD2-CG1 4.04Å; L70-I75 HydrophobicContact CG-CD1 4.45Å; L70-I75 HydrophobicContact CG-CG1 3.86Å; L70-D100 HydrophobicContact CD1-CB 4.28Å | ||
| 71 | D | 95.3 | Very high | 96 | Very high | 75 Ų | 75 | 100.1 Ų | 100.1 | 40% | 0.401 | 49% | 0.486 | S | S | . | . | trans | -86.9 | 179.7 | 175.1 | 68.5 | -17.8 | 0 | 0 | 0 | 111.2 | Y73 A74 I75 | D71-Y73 VanDerWaalsContact C-N 3.28Å; D71-Y73 PolarHBondContact O-N 3.13Å; D71-A74 PolarHBondContact O-N 3.1Å; D71-A74 WeakPolarHBondContact OD1-CB 3.29Å; D71-A74 PolarHBondContact OD1-N 3.42Å; D71-I75 WeakPolarHBondContact O-CD1 3.24Å; D71-I75 VanDerWaalsContact O-CG1 3.22Å; D71-I75 WeakPolarHBondContact O-CG1 3.43Å; D71-I75 PolarHBondContact O-N 2.97Å | ||
| 72 | H | 96.6 | Very high | 96 | Very high | 74 Ų | 74 | 91.9 Ų | 91.9 | 34% | 0.343 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | -174.5 | -58 | -56.6 | 0 | 0 | 0 | 112.6 | I75 I76 A111 L115 | H72-I75 PolarHBondContact O-N 3.13Å; H72-I76 PolarHBondContact O-N 2.99Å; H72-I76 VanDerWaalsContact O-N 3.14Å; H72-A111 HydrophobicContact CB-CB 4.05Å; H72-L115 HydrophobicContact CB-CD1 4.25Å; H72-L115 HydrophobicContact CB-CD2 4.2Å; H72-L115 HydrophobicContact CB-CG 4.1Å |
| 73 | Y | 96.3 | Very high | 96 | Very high | 171 Ų | 171 | 94.8 Ų | 94.8 | 67% | 0.671 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.6 | -35.9 | 176.8 | -59.3 | -76 | 0 | 0 | 0 | 112.7 | D71 I75 L115 | D71-Y73 VanDerWaalsContact C-N 3.28Å; D71-Y73 PolarHBondContact O-N 3.13Å; Y73-I75 VanDerWaalsContact C-N 3.3Å; Y73-L115 HydrophobicContact CD1-CD1 4.45Å; Y73-L115 HydrophobicContact CD1-CD2 3.68Å; Y73-L115 HydrophobicContact CE1-CD2 3.24Å; Y73-L115 HydrophobicContact CE2-CD2 4.17Å; Y73-L115 HydrophobicContact CG-CD2 4.31Å |
| 74 | A | 96.8 | Very high | 96 | Very high | 36 Ų | 36 | 92.1 Ų | 92.1 | 30% | 0.298 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.5 | -29.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D71 | D71-A74 PolarHBondContact O-N 3.1Å; D71-A74 WeakPolarHBondContact OD1-CB 3.29Å; D71-A74 PolarHBondContact OD1-N 3.42Å |
| 75 | I | 97.7 | Very high | 96.1 | Very high | 5 Ų | 5 | 89.5 Ų | 89.5 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.9 | -51.3 | 179.3 | -70.7 | 160.5 | 0 | 0 | 0 | 111.1 | L70 D71 H72 Y73 V99 D100 A103 Q107 I108 A111 | L70-I75 HydrophobicContact CD2-CD1 4.36Å; L70-I75 HydrophobicContact CD2-CG1 4.04Å; L70-I75 HydrophobicContact CG-CD1 4.45Å; L70-I75 HydrophobicContact CG-CG1 3.86Å; D71-I75 WeakPolarHBondContact O-CD1 3.24Å; D71-I75 VanDerWaalsContact O-CG1 3.22Å; D71-I75 WeakPolarHBondContact O-CG1 3.43Å; D71-I75 PolarHBondContact O-N 2.97Å; H72-I75 PolarHBondContact O-N 3.13Å; Y73-I75 VanDerWaalsContact C-N 3.3Å; I75-V99 CarbonylContact O-C 3.5Å; I75-V99 WeakPolarHBondContact O-CA 3.38Å; I75-V99 VanDerWaalsContact O-CB 3.23Å; I75-V99 WeakPolarHBondContact O-CB 3.22Å; I75-D100 PolarHBondContact O-N 2.93Å; I75-A103 HydrophobicContact CG1-CB 4.31Å; I75-A103 HydrophobicContact CG2-CB 3.83Å; I75-Q107 HydrophobicContact CD1-CB 3.98Å; I75-I108 HydrophobicContact CG2-CG1 3.96Å; I75-A111 HydrophobicContact CB-CB 4.18Å; I75-A111 HydrophobicContact CD1-CB 4.34Å; I75-A111 HydrophobicContact CG2-CB 3.95Å |
| 76 | I | 97.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 85.4 Ų | 85.4 | 5% | 0.046 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 108.4 | -179.2 | -56 | -169.7 | 0 | 0 | 0 | 108.5 | H72 F97 A111 V112 L115 Y116 | H72-I76 PolarHBondContact O-N 2.99Å; H72-I76 VanDerWaalsContact O-N 3.14Å; I76-F97 HydrophobicContact CG2-CB 4.41Å; I76-F97 HydrophobicContact CG2-CD1 3.61Å; I76-F97 HydrophobicContact CG2-CE1 4.13Å; I76-F97 HydrophobicContact CG2-CG 4.16Å; I76-A111 HydrophobicContact CD1-CB 3.92Å; I76-A111 HydrophobicContact CG1-CB 3.93Å; I76-V112 HydrophobicContact CD1-CB 4.13Å; I76-V112 HydrophobicContact CD1-CG2 3.35Å; I76-L115 HydrophobicContact CB-CD1 4.2Å; I76-L115 HydrophobicContact CD1-CD1 4.17Å; I76-L115 HydrophobicContact CG1-CD1 4.4Å; I76-Y116 HydrophobicContact CD1-CE2 4.47Å |
| 77 | K | 96.7 | Very high | 96.2 | Very high | 98 Ų | 98 | 81.8 Ų | 81.8 | 43% | 0.426 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -59.3 | -178 | -59.8 | -173.3 | -175.7 | -179.7 | 0 | 111.1 | I98 E132 | K77-I98 HydrophobicContact CD-CG2 4.27Å; K77-I98 PolarHBondContact N-O 3.33Å; K77-E132 IonicContact NZ-OE1 2.91Å; K77-E132 PolarHBondContact NZ-OE1 3.21Å |
| 78 | F | 96.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 76 Ų | 76 | 41% | 0.408 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 152.9 | -180 | 56.2 | -89.8 | 0 | 0 | 0 | 111.1 | I98 | F78-I98 HydrophobicContact CD1-CB 4.36Å; F78-I98 HydrophobicContact CD2-CB 4.17Å; F78-I98 HydrophobicContact CD2-CG1 4.13Å; F78-I98 HydrophobicContact CE1-CB 4Å; F78-I98 HydrophobicContact CE1-CG1 4.45Å; F78-I98 HydrophobicContact CE1-CG2 3.89Å; F78-I98 HydrophobicContact CE2-CB 3.81Å; F78-I98 HydrophobicContact CE2-CG1 3.47Å; F78-I98 VanDerWaalsContact CE2-CG1 3.47Å; F78-I98 HydrophobicContact CE2-CG2 4.42Å; F78-I98 HydrophobicContact CG-CB 4.42Å; F78-I98 HydrophobicContact CZ-CB 3.71Å; F78-I98 HydrophobicContact CZ-CG1 3.65Å; F78-I98 HydrophobicContact CZ-CG2 3.8Å; F78-I98 PolarHBondContact N-O 3.29Å; F78-I98 PolarHBondContact O-N 3.47Å |
| 79 | P | 97.1 | Very high | 96.5 | Very high | 29 Ų | 29 | 70.5 Ų | 70.5 | 19% | 0.188 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145.8 | 169.6 | 30.3 | -35.3 | 0 | 0 | 0 | 111.4 | V96 F97 I152 I154 | P79-V96 WeakPolarHBondContact CA-O 3.37Å; P79-F97 HydrophobicContact CB-CD1 4.05Å; P79-F97 HydrophobicContact CB-CE1 4.02Å; P79-I152 HydrophobicContact CG-CG2 4.24Å; P79-I154 HydrophobicContact CB-CD1 3.22Å; P79-I154 HydrophobicContact CB-CG1 3.77Å; P79-I154 HydrophobicContact CG-CD1 3.44Å; P79-I154 VanDerWaalsContact CG-CD1 3.44Å; P79-I154 HydrophobicContact CG-CG1 3.45Å; P79-I154 VanDerWaalsContact CG-CG1 3.45Å |
| 80 | L | 96.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 68.1 Ų | 68.1 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | trans | -92.3 | 121.8 | 178.7 | -168.1 | 71.7 | 0 | 0 | 0 | 110.1 | T82 A85 V96 I98 K134 | L80-T82 HydrophobicContact CD1-CG2 4.26Å; L80-T82 HydrophobicContact CD2-CG2 4.31Å; L80-T82 HydrophobicContact CG-CG2 4.05Å; L80-A85 WeakPolarHBondContact O-CB 3.33Å; L80-V96 HydrophobicContact CB-CB 4.21Å; L80-V96 HydrophobicContact CB-CG1 3.92Å; L80-V96 HydrophobicContact CD2-CG1 3.95Å; L80-V96 PolarHBondContact N-O 2.85Å; L80-I98 HydrophobicContact CD1-CD1 4.13Å; L80-I98 HydrophobicContact CD1-CG1 4.02Å; L80-K134 HydrophobicContact CD2-CD 4.06Å | ||
| 81 | T | 96.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 70.9 Ų | 70.9 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | trans | -105.8 | 27.7 | -170.2 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | I154 | T81-I154 HydrophobicContact CG2-CG2 3.5Š| ||
| 82 | T | 96.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -76.7 | 155.2 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | L80 S84 A85 M86 | L80-T82 HydrophobicContact CD1-CG2 4.26Å; L80-T82 HydrophobicContact CD2-CG2 4.31Å; L80-T82 HydrophobicContact CG-CG2 4.05Å; T82-S84 VanDerWaalsContact C-N 3.27Å; T82-S84 PolarHBondContact O-N 2.95Å; T82-S84 VanDerWaalsContact O-N 3.17Å; T82-S84 PolarHBondContact OG1-OG 2.91Å; T82-A85 CarbonylContact O-C 3.58Å; T82-A85 VanDerWaalsContact O-CA 3.32Å; T82-A85 WeakPolarHBondContact O-CA 3.4Å; T82-A85 VanDerWaalsContact O-CB 3.28Å; T82-A85 WeakPolarHBondContact O-CB 3.4Å; T82-A85 PolarHBondContact O-N 2.83Å; T82-A85 WeakPolarHBondContact OG1-CB 3.17Å; T82-A85 PolarHBondContact OG1-N 3.2Å; T82-M86 PolarHBondContact O-N 3.37Å |
| 83 | E | 96.5 | Very high | 96.7 | Very high | 177 Ų | 177 | 68.4 Ų | 68.4 | 83% | 0.827 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -48.9 | -46.1 | 175.6 | -62.7 | 173.8 | -175.6 | 0 | 0 | 113.1 | A85 M86 K87 | E83-A85 PolarHBondContact O-N 3.45Å; E83-M86 PolarHBondContact O-N 3.24Å; E83-K87 WeakPolarHBondContact O-CB 3.38Å; E83-K87 PolarHBondContact O-N 3.26Å |
| 84 | S | 96.4 | Very high | 96.8 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 53% | 0.531 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -27.9 | 176.6 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | T82 K88 | T82-S84 VanDerWaalsContact C-N 3.27Å; T82-S84 PolarHBondContact O-N 2.95Å; T82-S84 VanDerWaalsContact O-N 3.17Å; T82-S84 PolarHBondContact OG1-OG 2.91Å; S84-K88 VanDerWaalsContact O-CG 3.25Å; S84-K88 WeakPolarHBondContact O-CG 3.19Å; S84-K88 PolarHBondContact O-N 3.14Å |
| 85 | A | 96.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.8 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L80 T82 E83 K87 K88 I89 V96 | L80-A85 WeakPolarHBondContact O-CB 3.33Å; T82-A85 CarbonylContact O-C 3.58Å; T82-A85 VanDerWaalsContact O-CA 3.32Å; T82-A85 WeakPolarHBondContact O-CA 3.4Å; T82-A85 VanDerWaalsContact O-CB 3.28Å; T82-A85 WeakPolarHBondContact O-CB 3.4Å; T82-A85 PolarHBondContact O-N 2.83Å; T82-A85 WeakPolarHBondContact OG1-CB 3.17Å; T82-A85 PolarHBondContact OG1-N 3.2Å; E83-A85 PolarHBondContact O-N 3.45Å; A85-K87 VanDerWaalsContact C-N 3.31Å; A85-K87 PolarHBondContact O-N 3.35Å; A85-K88 WeakPolarHBondContact O-CA 3.28Å; A85-K88 VanDerWaalsContact O-CB 3.31Å; A85-K88 WeakPolarHBondContact O-CB 3.33Å; A85-K88 PolarHBondContact O-N 2.91Å; A85-I89 WeakPolarHBondContact O-CG1 3.22Å; A85-I89 PolarHBondContact O-N 3.35Å; A85-I89 VanDerWaalsContact O-N 3.12Å; A85-V96 HydrophobicContact CB-CB 3.95Å; A85-V96 HydrophobicContact CB-CG2 3.85Å |
| 86 | M | 96.8 | Very high | 96.9 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 21% | 0.207 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 175.6 | -59.7 | -57.4 | -93.2 | 0 | 0 | 111 | T82 E83 K88 I89 E90 I154 I155 | T82-M86 PolarHBondContact O-N 3.37Å; E83-M86 PolarHBondContact O-N 3.24Å; M86-K88 PolarHBondContact O-N 2.73Å; M86-K88 VanDerWaalsContact O-N 3.16Å; M86-I89 WeakPolarHBondContact O-CB 3.41Å; M86-I89 PolarHBondContact O-N 3.33Å; M86-I89 HydrophobicContact SD-CD1 4.1Å; M86-E90 PolarHBondContact O-N 3.21Å; M86-I154 HydrophobicContact SD-CG2 4.18Å; M86-I155 HydrophobicContact CE-CB 4.01Å; M86-I155 HydrophobicContact CE-CD1 3.8Å; M86-I155 HydrophobicContact CE-CG1 3.91Å |
| 87 | K | 97.1 | Very high | 96.9 | Very high | 130 Ų | 130 | 58.9 Ų | 58.9 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.7 | -32.5 | 173.3 | -174.6 | 167.9 | -174.8 | 170 | 0 | 113.5 | E83 A85 D91 | E83-K87 WeakPolarHBondContact O-CB 3.38Å; E83-K87 PolarHBondContact O-N 3.26Å; A85-K87 VanDerWaalsContact C-N 3.31Å; A85-K87 PolarHBondContact O-N 3.35Å; K87-D91 WeakPolarHBondContact CE-OD2 3.35Å; K87-D91 WeakPolarHBondContact CG-OD2 3.5Å; K87-D91 WeakPolarHBondContact O-CB 3.1Å; K87-D91 PolarHBondContact O-N 2.96Å |
| 88 | K | 97.4 | Very high | 97 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.6 | -26.5 | 177.3 | -77.9 | -69.4 | 173.6 | -157.4 | 0 | 113.2 | S84 A85 M86 N92 T94 V96 | S84-K88 VanDerWaalsContact O-CG 3.25Å; S84-K88 WeakPolarHBondContact O-CG 3.19Å; S84-K88 PolarHBondContact O-N 3.14Å; A85-K88 WeakPolarHBondContact O-CA 3.28Å; A85-K88 VanDerWaalsContact O-CB 3.31Å; A85-K88 WeakPolarHBondContact O-CB 3.33Å; A85-K88 PolarHBondContact O-N 2.91Å; M86-K88 PolarHBondContact O-N 2.73Å; M86-K88 VanDerWaalsContact O-N 3.16Å; K88-N92 HydrophobicContact CD-CB 4.42Å; K88-N92 VanDerWaalsContact CD-OD1 3.31Å; K88-N92 WeakPolarHBondContact CD-OD1 2.98Å; K88-N92 PolarHBondContact NZ-OD1 3.11Å; K88-N92 PolarHBondContact O-N 3.39Å; K88-T94 CarbonylContact C-O 3.55Å; K88-T94 WeakPolarHBondContact CB-OG1 3.34Å; K88-T94 PolarHBondContact O-N 2.86Å; K88-T94 VanDerWaalsContact O-N 3.13Å; K88-T94 PolarHBondContact O-OG1 2.84Å; K88-V96 HydrophobicContact CB-CG2 4.36Å |
| 89 | I | 96.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.1 | -50.4 | 174.1 | -61.3 | 176.6 | 0 | 0 | 0 | 108.3 | A85 M86 N93 T94 L95 A145 L146 A149 | A85-I89 WeakPolarHBondContact O-CG1 3.22Å; A85-I89 PolarHBondContact O-N 3.35Å; A85-I89 VanDerWaalsContact O-N 3.12Å; M86-I89 WeakPolarHBondContact O-CB 3.41Å; M86-I89 PolarHBondContact O-N 3.33Å; M86-I89 HydrophobicContact SD-CD1 4.1Å; I89-N93 PolarHBondContact O-N 3.1Å; I89-T94 WeakPolarHBondContact CA-O 3.26Å; I89-T94 PolarHBondContact N-O 2.93Å; I89-L95 HydrophobicContact CD1-CD2 4.19Å; I89-L95 HydrophobicContact CG1-CD2 4.14Å; I89-A145 HydrophobicContact CG2-CB 3.81Å; I89-L146 HydrophobicContact CG2-CD2 3.71Å; I89-L146 HydrophobicContact CG2-CG 4.12Å; I89-A149 HydrophobicContact CD1-CB 4.26Å; I89-A149 HydrophobicContact CG2-CB 4.38Å |
| 90 | E | 95.6 | Very high | 97.1 | Very high | 117 Ų | 117 | 50.3 Ų | 50.3 | 55% | 0.547 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.9 | -57.9 | -179.2 | -65.5 | 167.4 | -165.8 | 0 | 0 | 113 | M86 N92 L146 | M86-E90 PolarHBondContact O-N 3.21Å; E90-N92 PolarHBondContact O-N 2.81Å; E90-L146 HydrophobicContact CG-CD2 3.99Å |
| 91 | D | 96.7 | Very high | 97.2 | Very high | 96 Ų | 96 | 52.5 Ų | 52.5 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -75.6 | -29.7 | -167.9 | -70.4 | -19.7 | 0 | 0 | 0 | 113.8 | K87 | K87-D91 WeakPolarHBondContact CE-OD2 3.35Å; K87-D91 WeakPolarHBondContact CG-OD2 3.5Å; K87-D91 WeakPolarHBondContact O-CB 3.1Å; K87-D91 PolarHBondContact O-N 2.96Å |
| 92 | N | 96.4 | Very high | 97.2 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -128.3 | 1.6 | -163.2 | -63.9 | 143.5 | 0 | 0 | 0 | 114.6 | K88 E90 T94 | K88-N92 HydrophobicContact CD-CB 4.42Å; K88-N92 VanDerWaalsContact CD-OD1 3.31Å; K88-N92 WeakPolarHBondContact CD-OD1 2.98Å; K88-N92 PolarHBondContact NZ-OD1 3.11Å; K88-N92 PolarHBondContact O-N 3.39Å; E90-N92 PolarHBondContact O-N 2.81Å; N92-T94 VanDerWaalsContact C-N 3.26Å; N92-T94 HydrophobicContact CB-CG2 4.19Å; N92-T94 PolarHBondContact O-N 3.4Å |
| 93 | N | 97.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 51.6 | 48.9 | -173.7 | -170 | 8.8 | 0 | 0 | 0 | 110.8 | I89 L139 Y143 A145 | I89-N93 PolarHBondContact O-N 3.1Å; N93-L139 PolarHBondContact O-N 2.7Å; N93-Y143 PolarHBondContact ND2-O 2.77Å; N93-Y143 PolarHBondContact OD1-O 2.82Å; N93-A145 WeakPolarHBondContact OD1-CB 3.2Å; N93-A145 PolarHBondContact OD1-N 2.78Å |
| 94 | T | 97.7 | Very high | 97.3 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124 | -176.3 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | K88 I89 N92 V137 R138 | K88-T94 CarbonylContact C-O 3.55Å; K88-T94 WeakPolarHBondContact CB-OG1 3.34Å; K88-T94 PolarHBondContact O-N 2.86Å; K88-T94 VanDerWaalsContact O-N 3.13Å; K88-T94 PolarHBondContact O-OG1 2.84Å; I89-T94 WeakPolarHBondContact CA-O 3.26Å; I89-T94 PolarHBondContact N-O 2.93Å; N92-T94 VanDerWaalsContact C-N 3.26Å; N92-T94 HydrophobicContact CB-CG2 4.19Å; N92-T94 PolarHBondContact O-N 3.4Å; T94-V137 CarbonylContact C-O 3.55Å; T94-V137 VanDerWaalsContact CA-O 3.3Å; T94-V137 WeakPolarHBondContact CA-O 3.42Å; T94-R138 HydrophobicContact CG2-CB 3.51Å; T94-R138 HydrophobicContact CG2-CG 3.76Å |
| 95 | L | 97.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 144 | 170 | -62.6 | 174.7 | 0 | 0 | 0 | 110.5 | I89 F97 V137 L139 A145 V148 A149 I152 | I89-L95 HydrophobicContact CD1-CD2 4.19Å; I89-L95 HydrophobicContact CG1-CD2 4.14Å; L95-F97 HydrophobicContact CB-CD2 4.26Å; L95-F97 HydrophobicContact CB-CE2 3.51Å; L95-F97 HydrophobicContact CB-CZ 4.01Å; L95-F97 HydrophobicContact CD1-CE2 4.08Å; L95-F97 HydrophobicContact CD1-CZ 3.98Å; L95-F97 HydrophobicContact CG-CE2 4.46Å; L95-V137 PolarHBondContact N-O 3.12Å; L95-V137 PolarHBondContact O-N 2.99Å; L95-L139 HydrophobicContact CD1-CD1 4.19Å; L95-L139 HydrophobicContact CD1-CD2 4.2Å; L95-L139 HydrophobicContact CG-CD1 4.4Å; L95-A145 HydrophobicContact CD2-CB 4.02Å; L95-A145 HydrophobicContact CG-CB 4.23Å; L95-V148 HydrophobicContact CD1-CB 4.4Å; L95-V148 HydrophobicContact CD1-CG1 3.62Å; L95-A149 HydrophobicContact CD2-CB 4.42Å; L95-I152 HydrophobicContact CD1-CD1 4.46Å |
| 96 | V | 98.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.3 | 178.6 | -169.8 | 0 | 0 | 0 | 0 | 109.4 | P79 L80 A85 K88 K134 A135 Y136 | P79-V96 WeakPolarHBondContact CA-O 3.37Å; L80-V96 HydrophobicContact CB-CB 4.21Å; L80-V96 HydrophobicContact CB-CG1 3.92Å; L80-V96 HydrophobicContact CD2-CG1 3.95Å; L80-V96 PolarHBondContact N-O 2.85Å; A85-V96 HydrophobicContact CB-CB 3.95Å; A85-V96 HydrophobicContact CB-CG2 3.85Å; K88-V96 HydrophobicContact CB-CG2 4.36Å; V96-K134 HydrophobicContact CG1-CD 3.91Å; V96-K134 HydrophobicContact CG1-CG 3.74Å; V96-A135 WeakPolarHBondContact CA-O 3.18Å; V96-Y136 HydrophobicContact CG1-CD1 4.2Å; V96-Y136 HydrophobicContact CG1-CE1 4.12Å; V96-Y136 HydrophobicContact CG2-CD1 3.65Å; V96-Y136 HydrophobicContact CG2-CE1 3.93Å |
| 97 | F | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148 | 179.6 | -64.5 | -82.3 | 0 | 0 | 0 | 111.4 | I76 P79 L95 V99 V112 Y116 K134 A135 V137 I152 | I76-F97 HydrophobicContact CG2-CB 4.41Å; I76-F97 HydrophobicContact CG2-CD1 3.61Å; I76-F97 HydrophobicContact CG2-CE1 4.13Å; I76-F97 HydrophobicContact CG2-CG 4.16Å; P79-F97 HydrophobicContact CB-CD1 4.05Å; P79-F97 HydrophobicContact CB-CE1 4.02Å; L95-F97 HydrophobicContact CB-CD2 4.26Å; L95-F97 HydrophobicContact CB-CE2 3.51Å; L95-F97 HydrophobicContact CB-CZ 4.01Å; L95-F97 HydrophobicContact CD1-CE2 4.08Å; L95-F97 HydrophobicContact CD1-CZ 3.98Å; L95-F97 HydrophobicContact CG-CE2 4.46Å; F97-V99 HydrophobicContact CB-CG1 3.96Å; F97-V112 HydrophobicContact CD2-CG2 4.45Å; F97-V112 HydrophobicContact CE2-CG2 4.19Å; F97-Y116 AromaticContact CE1-CE2 3.75Å; F97-Y116 HydrophobicContact CE1-CE2 3.75Å; F97-Y116 HydrophobicContact CZ-CD2 4.32Å; F97-Y116 AromaticContact CZ-CE2 3.76Å; F97-Y116 HydrophobicContact CZ-CE2 3.76Å; F97-K134 CarbonylContact O-C 3.55Å; F97-K134 WeakPolarHBondContact O-CA 3.4Å; F97-A135 PolarHBondContact N-O 3.37Å; F97-A135 PolarHBondContact O-N 3.41Å; F97-V137 HydrophobicContact CD2-CB 4.41Å; F97-V137 HydrophobicContact CD2-CG2 3.87Å; F97-V137 HydrophobicContact CE2-CB 4.43Å; F97-V137 HydrophobicContact CE2-CG2 4.29Å; F97-I152 HydrophobicContact CZ-CD1 4.37Å |
| 98 | I | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.7 | 158 | -61.6 | -50.9 | 0 | 0 | 0 | 108.5 | K77 F78 L80 E132 K134 | K77-I98 HydrophobicContact CD-CG2 4.27Å; K77-I98 PolarHBondContact N-O 3.33Å; F78-I98 HydrophobicContact CD1-CB 4.36Å; F78-I98 HydrophobicContact CD2-CB 4.17Å; F78-I98 HydrophobicContact CD2-CG1 4.13Å; F78-I98 HydrophobicContact CE1-CB 4Å; F78-I98 HydrophobicContact CE1-CG1 4.45Å; F78-I98 HydrophobicContact CE1-CG2 3.89Å; F78-I98 HydrophobicContact CE2-CB 3.81Å; F78-I98 HydrophobicContact CE2-CG1 3.47Å; F78-I98 VanDerWaalsContact CE2-CG1 3.47Å; F78-I98 HydrophobicContact CE2-CG2 4.42Å; F78-I98 HydrophobicContact CG-CB 4.42Å; F78-I98 HydrophobicContact CZ-CB 3.71Å; F78-I98 HydrophobicContact CZ-CG1 3.65Å; F78-I98 HydrophobicContact CZ-CG2 3.8Å; F78-I98 PolarHBondContact N-O 3.29Å; F78-I98 PolarHBondContact O-N 3.47Å; L80-I98 HydrophobicContact CD1-CD1 4.13Å; L80-I98 HydrophobicContact CD1-CG1 4.02Å; I98-E132 HydrophobicContact CG2-CB 4.18Å; I98-E132 VanDerWaalsContact CG2-OE2 3.28Å; I98-E132 WeakPolarHBondContact CG2-OE2 3.47Å; I98-K134 HydrophobicContact CD1-CB 4.16Å; I98-K134 HydrophobicContact CD1-CG 4.3Å |
| 99 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 165.3 | -172.1 | -61 | 0 | 0 | 0 | 0 | 111.3 | I75 F97 I108 K133 A135 | I75-V99 CarbonylContact O-C 3.5Å; I75-V99 WeakPolarHBondContact O-CA 3.38Å; I75-V99 VanDerWaalsContact O-CB 3.23Å; I75-V99 WeakPolarHBondContact O-CB 3.22Å; F97-V99 HydrophobicContact CB-CG1 3.96Å; V99-I108 HydrophobicContact CB-CD1 4.43Å; V99-I108 HydrophobicContact CB-CG1 4.49Å; V99-I108 HydrophobicContact CG1-CD1 4.47Å; V99-I108 HydrophobicContact CG1-CG1 4.33Å; V99-I108 HydrophobicContact CG1-CG2 4.46Å; V99-I108 HydrophobicContact CG2-CD1 3.89Å; V99-I108 HydrophobicContact CG2-CG1 4.47Å; V99-K133 HydrophobicContact CG2-CB 3.76Å; V99-K133 HydrophobicContact CG2-CD 3.71Å; V99-K133 HydrophobicContact CG2-CG 3.62Å; V99-K133 WeakPolarHBondContact CG2-O 3.46Å; V99-K133 PolarHBondContact N-O 2.99Å; V99-A135 HydrophobicContact CG1-CB 3.96Å; V99-A135 HydrophobicContact CG2-CB 4.01Å |
| 100 | D | 98.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 56.8 Ų | 56.8 | 21% | 0.214 | 28% | 0.275 | C | S | . | . | trans | -64.8 | 141.5 | 175.7 | -171 | -90.8 | 0 | 0 | 0 | 112.8 | L70 I75 K102 A103 K133 | L70-D100 HydrophobicContact CD1-CB 4.28Å; I75-D100 PolarHBondContact O-N 2.93Å; D100-K102 PolarHBondContact O-N 3.15Å; D100-K102 WeakPolarHBondContact OD1-CA 3.34Å; D100-K102 VanDerWaalsContact OD1-CB 3.26Å; D100-K102 WeakPolarHBondContact OD1-CB 3.29Å; D100-K102 PolarHBondContact OD1-N 3.26Å; D100-A103 HydrophobicContact CB-CB 4.41Å; D100-A103 WeakPolarHBondContact O-CB 3.23Å; D100-A103 PolarHBondContact O-N 3.36Å; D100-K133 PolarHBondContact O-NZ 2.78Å | ||
| 101 | V | 97.7 | Very high | 97.7 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 40% | 0.4 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22.2 | -177.2 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | I127 G131 K133 | V101-I127 HydrophobicContact CG1-CD1 4.45Å; V101-G131 WeakPolarHBondContact CG2-O 3.34Å; V101-K133 VanDerWaalsContact O-CE 3.31Å; V101-K133 WeakPolarHBondContact O-CE 3.34Å; V101-K133 PolarHBondContact O-NZ 3.49Å |
| 102 | K | 96.9 | Very high | 97.8 | Very high | 176 Ų | 176 | 46.6 Ų | 46.6 | 77% | 0.765 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -13.4 | 176.7 | -60.8 | 172.4 | -178.3 | 168.5 | 0 | 112.9 | D100 N104 | D100-K102 PolarHBondContact O-N 3.15Å; D100-K102 WeakPolarHBondContact OD1-CA 3.34Å; D100-K102 VanDerWaalsContact OD1-CB 3.26Å; D100-K102 WeakPolarHBondContact OD1-CB 3.29Å; D100-K102 PolarHBondContact OD1-N 3.26Å; K102-N104 PolarHBondContact O-N 3.49Å |
| 103 | A | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | trans | -69.3 | 129.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I75 D100 I108 K133 | I75-A103 HydrophobicContact CG1-CB 4.31Å; I75-A103 HydrophobicContact CG2-CB 3.83Å; D100-A103 HydrophobicContact CB-CB 4.41Å; D100-A103 WeakPolarHBondContact O-CB 3.23Å; D100-A103 PolarHBondContact O-N 3.36Å; A103-I108 HydrophobicContact CB-CD1 4.32Å; A103-I108 HydrophobicContact CB-CG1 4.01Å; A103-K133 PolarHBondContact O-NZ 2.91Å | ||
| 104 | N | 97.8 | Very high | 97.7 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | trans | -87.6 | 167.7 | 174.3 | 73.2 | 24.8 | 0 | 0 | 0 | 111.6 | K102 H106 Q107 I108 | K102-N104 PolarHBondContact O-N 3.49Å; N104-H106 VanDerWaalsContact C-N 3.25Å; N104-H106 PolarHBondContact O-N 2.88Å; N104-H106 PolarHBondContact OD1-N 3.09Å; N104-H106 VanDerWaalsContact OD1-N 3.15Å; N104-Q107 PolarHBondContact O-N 3.4Å; N104-Q107 VanDerWaalsContact OD1-CB 3.26Å; N104-Q107 WeakPolarHBondContact OD1-CB 3.36Å; N104-Q107 WeakPolarHBondContact OD1-CG 3.26Å; N104-Q107 PolarHBondContact OD1-N 3.09Å; N104-I108 WeakPolarHBondContact O-CG1 3.1Å; N104-I108 PolarHBondContact O-N 3.03Å | ||
| 105 | K | 98.4 | Very high | 97.6 | Very high | 102 Ų | 102 | 54.7 Ų | 54.7 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.9 | -35.1 | -179 | -69.1 | 178.4 | 177.3 | -176.3 | 0 | 113.1 | K109 V123 T125 | K105-K109 WeakPolarHBondContact O-CB 3.3Å; K105-K109 PolarHBondContact O-N 3.12Å; K105-V123 HydrophobicContact CB-CB 4.39Å; K105-V123 WeakPolarHBondContact CD-O 3.42Å; K105-V123 HydrophobicContact CG-CG1 4.41Å; K105-T125 WeakPolarHBondContact CE-OG1 3.14Å; K105-T125 HydrophobicContact CG-CG2 4.07Å |
| 106 | H | 97.8 | Very high | 97.5 | Very high | 133 Ų | 133 | 57.3 Ų | 57.3 | 62% | 0.616 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.6 | -44 | 179.2 | -56 | -71 | 0 | 0 | 0 | 111.7 | N104 K109 H110 | N104-H106 VanDerWaalsContact C-N 3.25Å; N104-H106 PolarHBondContact O-N 2.88Å; N104-H106 PolarHBondContact OD1-N 3.09Å; N104-H106 VanDerWaalsContact OD1-N 3.15Å; H106-K109 WeakPolarHBondContact O-CB 3.43Å; H106-K109 PolarHBondContact O-N 2.93Å; H106-H110 PolarHBondContact O-CD2 3.28Å; H106-H110 PolarHBondContact O-N 3.12Å |
| 107 | Q | 97.7 | Very high | 97.4 | Very high | 68 Ų | 68 | 62.3 Ų | 62.3 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 176.5 | -76.6 | 168.9 | -21.9 | 0 | 0 | 111 | I75 N104 H110 A111 | I75-Q107 HydrophobicContact CD1-CB 3.98Å; N104-Q107 PolarHBondContact O-N 3.4Å; N104-Q107 VanDerWaalsContact OD1-CB 3.26Å; N104-Q107 WeakPolarHBondContact OD1-CB 3.36Å; N104-Q107 WeakPolarHBondContact OD1-CG 3.26Å; N104-Q107 PolarHBondContact OD1-N 3.09Å; Q107-H110 PolarHBondContact O-N 2.92Å; Q107-A111 VanDerWaalsContact O-CB 3.28Å; Q107-A111 WeakPolarHBondContact O-CB 3.47Å; Q107-A111 PolarHBondContact O-N 3Å |
| 108 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.1 | -63.5 | 161 | 0 | 0 | 0 | 109.8 | I75 V99 A103 N104 H110 A111 V112 V123 T125 A135 V137 | I75-I108 HydrophobicContact CG2-CG1 3.96Å; V99-I108 HydrophobicContact CB-CD1 4.43Å; V99-I108 HydrophobicContact CB-CG1 4.49Å; V99-I108 HydrophobicContact CG1-CD1 4.47Å; V99-I108 HydrophobicContact CG1-CG1 4.33Å; V99-I108 HydrophobicContact CG1-CG2 4.46Å; V99-I108 HydrophobicContact CG2-CD1 3.89Å; V99-I108 HydrophobicContact CG2-CG1 4.47Å; A103-I108 HydrophobicContact CB-CD1 4.32Å; A103-I108 HydrophobicContact CB-CG1 4.01Å; N104-I108 WeakPolarHBondContact O-CG1 3.1Å; N104-I108 PolarHBondContact O-N 3.03Å; I108-H110 VanDerWaalsContact C-N 3.33Å; I108-H110 PolarHBondContact O-N 3.38Å; I108-A111 PolarHBondContact O-N 3.06Å; I108-V112 HydrophobicContact CG2-CG2 4.25Å; I108-V112 WeakPolarHBondContact O-CG2 2.91Å; I108-V112 PolarHBondContact O-N 3.01Å; I108-V123 HydrophobicContact CB-CG1 4.33Å; I108-V123 HydrophobicContact CG2-CG1 3.99Å; I108-T125 HydrophobicContact CD1-CG2 3.66Å; I108-A135 HydrophobicContact CD1-CB 4.23Å; I108-A135 HydrophobicContact CG2-CB 4.22Å; I108-V137 HydrophobicContact CG2-CG2 4.2Å |
| 109 | K | 98 | Very high | 97.2 | Very high | 81 Ų | 81 | 65.3 Ų | 65.3 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55 | -47.9 | 176.6 | -170.7 | 175.6 | 179.9 | 159.9 | 0 | 111.9 | K105 H106 K113 V120 V123 | K105-K109 WeakPolarHBondContact O-CB 3.3Å; K105-K109 PolarHBondContact O-N 3.12Å; H106-K109 WeakPolarHBondContact O-CB 3.43Å; H106-K109 PolarHBondContact O-N 2.93Å; K109-K113 WeakPolarHBondContact O-CB 3.49Å; K109-K113 PolarHBondContact O-N 3.48Å; K109-K113 VanDerWaalsContact O-N 3.13Å; K109-V120 HydrophobicContact CD-CB 4.5Å; K109-V120 HydrophobicContact CD-CG1 4.49Å; K109-V120 WeakPolarHBondContact CE-O 3.28Å; K109-V120 HydrophobicContact CG-CB 3.88Å; K109-V120 HydrophobicContact CG-CG1 4.01Å; K109-V120 PolarHBondContact NZ-O 2.97Å; K109-V123 HydrophobicContact CB-CG2 4.13Å |
| 110 | H | 97.5 | Very high | 97.1 | Very high | 121 Ų | 121 | 65.6 Ų | 65.6 | 56% | 0.56 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.4 | -37.8 | 178.3 | -71.7 | -62.5 | 0 | 0 | 0 | 112.9 | H106 Q107 I108 K114 | H106-H110 PolarHBondContact O-CD2 3.28Å; H106-H110 PolarHBondContact O-N 3.12Å; Q107-H110 PolarHBondContact O-N 2.92Å; I108-H110 VanDerWaalsContact C-N 3.33Å; I108-H110 PolarHBondContact O-N 3.38Å; H110-K114 VanDerWaalsContact O-CB 3.29Å; H110-K114 WeakPolarHBondContact O-CB 3.28Å; H110-K114 PolarHBondContact O-N 3.07Å |
| 111 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.6 | -46 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H72 I75 I76 Q107 I108 K113 K114 L115 | H72-A111 HydrophobicContact CB-CB 4.05Å; I75-A111 HydrophobicContact CB-CB 4.18Å; I75-A111 HydrophobicContact CD1-CB 4.34Å; I75-A111 HydrophobicContact CG2-CB 3.95Å; I76-A111 HydrophobicContact CD1-CB 3.92Å; I76-A111 HydrophobicContact CG1-CB 3.93Å; Q107-A111 VanDerWaalsContact O-CB 3.28Å; Q107-A111 WeakPolarHBondContact O-CB 3.47Å; Q107-A111 PolarHBondContact O-N 3Å; I108-A111 PolarHBondContact O-N 3.06Å; A111-K113 VanDerWaalsContact C-N 3.33Å; A111-K113 PolarHBondContact O-N 3.1Å; A111-K114 PolarHBondContact O-N 2.88Å; A111-L115 WeakPolarHBondContact O-CB 3.37Å; A111-L115 WeakPolarHBondContact O-CG 3.48Å; A111-L115 PolarHBondContact O-N 2.88Å |
| 112 | V | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | I76 F97 I108 K114 L115 Y116 V120 V137 | I76-V112 HydrophobicContact CD1-CB 4.13Å; I76-V112 HydrophobicContact CD1-CG2 3.35Å; F97-V112 HydrophobicContact CD2-CG2 4.45Å; F97-V112 HydrophobicContact CE2-CG2 4.19Å; I108-V112 HydrophobicContact CG2-CG2 4.25Å; I108-V112 WeakPolarHBondContact O-CG2 2.91Å; I108-V112 PolarHBondContact O-N 3.01Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 3.3Å; V112-L115 PolarHBondContact O-N 2.79Å; V112-Y116 HydrophobicContact CG1-CD2 4.27Å; V112-Y116 PolarHBondContact O-N 2.85Å; V112-Y116 VanDerWaalsContact O-N 3.1Å; V112-V120 HydrophobicContact CB-CG2 4.09Å; V112-V120 HydrophobicContact CG1-CG2 3.78Å; V112-V137 HydrophobicContact CG1-CG1 4.26Å; V112-V137 HydrophobicContact CG2-CG1 4.23Å; V112-V137 HydrophobicContact CG2-CG2 4.23Å |
| 113 | K | 96.8 | Very high | 97.2 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 178.5 | -179.8 | 165 | -176.8 | 160.9 | 0 | 112.4 | K109 A111 D117 I118 D119 | K109-K113 WeakPolarHBondContact O-CB 3.49Å; K109-K113 PolarHBondContact O-N 3.48Å; K109-K113 VanDerWaalsContact O-N 3.13Å; A111-K113 VanDerWaalsContact C-N 3.33Å; A111-K113 PolarHBondContact O-N 3.1Å; K113-D117 WeakPolarHBondContact O-CA 3.38Å; K113-D117 PolarHBondContact O-N 3.26Å; K113-D117 VanDerWaalsContact O-N 3.13Å; K113-I118 VanDerWaalsContact CA-O 3.24Å; K113-I118 WeakPolarHBondContact CA-O 3.33Å; K113-I118 WeakPolarHBondContact CB-O 3.47Å; K113-I118 WeakPolarHBondContact CG-O 3.46Å; K113-D119 WeakPolarHBondContact CD-OD1 3.31Å; K113-D119 VanDerWaalsContact CE-OD1 3.22Å; K113-D119 WeakPolarHBondContact CE-OD1 3.45Å; K113-D119 IonicContact NZ-OD1 2.65Å; K113-D119 PolarHBondContact NZ-OD1 2.96Å; K113-D119 IonicContact NZ-OD2 3.65Å |
| 114 | K | 96.6 | Very high | 97.2 | Very high | 139 Ų | 139 | 64 Ų | 64 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -80 | -31.3 | -176.6 | -172.9 | 56.7 | -179.8 | 168.2 | 0 | 113.9 | H110 A111 V112 | H110-K114 VanDerWaalsContact O-CB 3.29Å; H110-K114 WeakPolarHBondContact O-CB 3.28Å; H110-K114 PolarHBondContact O-N 3.07Å; A111-K114 PolarHBondContact O-N 2.88Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 3.3Å |
| 115 | L | 95.7 | Very high | 97.2 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -84.8 | -37.2 | -176 | -71.7 | 177.9 | 0 | 0 | 0 | 112.8 | H72 Y73 I76 A111 V112 | H72-L115 HydrophobicContact CB-CD1 4.25Å; H72-L115 HydrophobicContact CB-CD2 4.2Å; H72-L115 HydrophobicContact CB-CG 4.1Å; Y73-L115 HydrophobicContact CD1-CD1 4.45Å; Y73-L115 HydrophobicContact CD1-CD2 3.68Å; Y73-L115 HydrophobicContact CE1-CD2 3.24Å; Y73-L115 HydrophobicContact CE2-CD2 4.17Å; Y73-L115 HydrophobicContact CG-CD2 4.31Å; I76-L115 HydrophobicContact CB-CD1 4.2Å; I76-L115 HydrophobicContact CD1-CD1 4.17Å; I76-L115 HydrophobicContact CG1-CD1 4.4Å; A111-L115 WeakPolarHBondContact O-CB 3.37Å; A111-L115 WeakPolarHBondContact O-CG 3.48Å; A111-L115 PolarHBondContact O-N 2.88Å; V112-L115 PolarHBondContact O-N 2.79Å |
| 116 | Y | 95.3 | Very high | 97.2 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -113.8 | -2.8 | -173.7 | -56.1 | -61.9 | 0 | 0 | 0 | 113 | I76 F97 V112 I118 I152 | I76-Y116 HydrophobicContact CD1-CE2 4.47Å; F97-Y116 AromaticContact CE1-CE2 3.75Å; F97-Y116 HydrophobicContact CE1-CE2 3.75Å; F97-Y116 HydrophobicContact CZ-CD2 4.32Å; F97-Y116 AromaticContact CZ-CE2 3.76Å; F97-Y116 HydrophobicContact CZ-CE2 3.76Å; V112-Y116 HydrophobicContact CG1-CD2 4.27Å; V112-Y116 PolarHBondContact O-N 2.85Å; V112-Y116 VanDerWaalsContact O-N 3.1Å; Y116-I118 VanDerWaalsContact CB-CD1 3.42Å; Y116-I118 HydrophobicContact CG-CD1 4.43Å; Y116-I118 WeakPolarHBondContact O-CG1 3.42Å; Y116-I152 HydrophobicContact CD1-CD1 3.83Å; Y116-I152 HydrophobicContact CD1-CG1 3.68Å; Y116-I152 HydrophobicContact CD2-CD1 4.26Å; Y116-I152 HydrophobicContact CE1-CB 4.5Å; Y116-I152 HydrophobicContact CE1-CD1 3.7Å; Y116-I152 HydrophobicContact CE1-CG1 3.54Å; Y116-I152 HydrophobicContact CE1-CG2 4.21Å; Y116-I152 HydrophobicContact CE2-CD1 4.13Å; Y116-I152 HydrophobicContact CG-CD1 4.11Å; Y116-I152 HydrophobicContact CG-CG1 4.41Å |
| 117 | D | 94.4 | Very high | 97.2 | Very high | 111 Ų | 111 | 60.3 Ų | 60.3 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | trans | 58.1 | 45.5 | -178.3 | -62.5 | -46.3 | 0 | 0 | 0 | 113.6 | K113 | K113-D117 WeakPolarHBondContact O-CA 3.38Å; K113-D117 PolarHBondContact O-N 3.26Å; K113-D117 VanDerWaalsContact O-N 3.13Å | ||
| 118 | I | 95.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -122.5 | 146.3 | -176.1 | -55 | 153.7 | 0 | 0 | 0 | 111.3 | K113 Y116 L139 Y143 V148 | K113-I118 VanDerWaalsContact CA-O 3.24Å; K113-I118 WeakPolarHBondContact CA-O 3.33Å; K113-I118 WeakPolarHBondContact CB-O 3.47Å; K113-I118 WeakPolarHBondContact CG-O 3.46Å; Y116-I118 VanDerWaalsContact CB-CD1 3.42Å; Y116-I118 HydrophobicContact CG-CD1 4.43Å; Y116-I118 WeakPolarHBondContact O-CG1 3.42Å; I118-L139 HydrophobicContact CG2-CB 4.47Å; I118-L139 HydrophobicContact CG2-CD1 4.07Å; I118-L139 HydrophobicContact CG2-CD2 3.74Å; I118-L139 HydrophobicContact CG2-CG 4.3Å; I118-Y143 HydrophobicContact CB-CD1 4.48Å; I118-Y143 HydrophobicContact CG1-CD1 4.44Å; I118-Y143 HydrophobicContact CG2-CD1 3.91Å; I118-Y143 HydrophobicContact CG2-CD2 4.14Å; I118-Y143 HydrophobicContact CG2-CE1 4.45Å; I118-Y143 HydrophobicContact CG2-CG 3.73Å; I118-V148 HydrophobicContact CD1-CB 3.94Å; I118-V148 HydrophobicContact CD1-CG1 3.25Å; I118-V148 HydrophobicContact CD1-CG2 3.4Å; I118-V148 HydrophobicContact CG1-CG1 4.49Å; I118-V148 HydrophobicContact CG1-CG2 3.85Å | ||
| 119 | D | 96.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 65.7 Ų | 65.7 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | trans | -87.3 | 133 | 169.2 | -84.5 | -47.5 | 0 | 0 | 0 | 113.9 | K113 A140 Y143 | K113-D119 WeakPolarHBondContact CD-OD1 3.31Å; K113-D119 VanDerWaalsContact CE-OD1 3.22Å; K113-D119 WeakPolarHBondContact CE-OD1 3.45Å; K113-D119 IonicContact NZ-OD1 2.65Å; K113-D119 PolarHBondContact NZ-OD1 2.96Å; K113-D119 IonicContact NZ-OD2 3.65Å; D119-A140 HydrophobicContact CB-CB 4Å; D119-A140 WeakPolarHBondContact O-CB 3.39Å; D119-A140 PolarHBondContact O-N 3.13Å; D119-Y143 HydrophobicContact CB-CD2 4.26Å; D119-Y143 HydrophobicContact CB-CE2 3.81Å | ||
| 120 | V | 97.7 | Very high | 97 | Very high | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.8 | -176.3 | 173.5 | 0 | 0 | 0 | 0 | 109.6 | K109 V112 V123 V137 L139 | K109-V120 HydrophobicContact CD-CB 4.5Å; K109-V120 HydrophobicContact CD-CG1 4.49Å; K109-V120 WeakPolarHBondContact CE-O 3.28Å; K109-V120 HydrophobicContact CG-CB 3.88Å; K109-V120 HydrophobicContact CG-CG1 4.01Å; K109-V120 PolarHBondContact NZ-O 2.97Å; V112-V120 HydrophobicContact CB-CG2 4.09Å; V112-V120 HydrophobicContact CG1-CG2 3.78Å; V120-V123 HydrophobicContact CG1-CG2 3.7Å; V120-V137 HydrophobicContact CB-CG1 4.24Å; V120-V137 HydrophobicContact CG1-CG1 3.56Å; V120-V137 HydrophobicContact CG2-CG1 3.63Å; V120-L139 HydrophobicContact CG2-CD2 4.48Å |
| 121 | A | 97.3 | Very high | 96.9 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -59.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R138 L139 | A121-R138 PolarHBondContact N-O 2.88Å; A121-L139 WeakPolarHBondContact CB-O 3.12Å |
| 122 | K | 97.7 | Very high | 96.9 | Very high | 105 Ų | 105 | 65.5 Ų | 65.5 | 46% | 0.457 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.4 | -177.7 | 65.9 | 173.5 | -174.2 | -174.1 | 0 | 113 | R138 | K122-R138 HydrophobicContact CG-CB 3.68Å; K122-R138 PolarHBondContact N-O 3.09Å; K122-R138 PolarHBondContact O-N 3.37Å |
| 123 | V | 98.5 | Very high | 97 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 9% | 0.085 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 110 | K105 I108 K109 V120 T125 A135 Y136 V137 | K105-V123 HydrophobicContact CB-CB 4.39Å; K105-V123 WeakPolarHBondContact CD-O 3.42Å; K105-V123 HydrophobicContact CG-CG1 4.41Å; I108-V123 HydrophobicContact CB-CG1 4.33Å; I108-V123 HydrophobicContact CG2-CG1 3.99Å; K109-V123 HydrophobicContact CB-CG2 4.13Å; V120-V123 HydrophobicContact CG1-CG2 3.7Å; V123-T125 HydrophobicContact CG1-CG2 4.02Å; V123-A135 HydrophobicContact CG1-CB 4.47Å; V123-Y136 WeakPolarHBondContact CA-O 3.38Å; V123-V137 HydrophobicContact CG1-CG2 4.36Å; V123-V137 HydrophobicContact CG2-CG1 4.36Å; V123-V137 HydrophobicContact CG2-CG2 4.4Å |
| 124 | N | 98.4 | Very high | 97.1 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.4 | 171.5 | -71.9 | 58 | 0 | 0 | 0 | 108.3 | A135 Y136 | N124-A135 CarbonylContact O-C 3.36Å; N124-A135 WeakPolarHBondContact O-CA 3.31Å; N124-Y136 PolarHBondContact N-O 3.27Å; N124-Y136 PolarHBondContact O-N 2.96Å |
| 125 | T | 98.5 | Very high | 97.2 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.6 | -176.6 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | K105 I108 V123 K133 K134 A135 | K105-T125 WeakPolarHBondContact CE-OG1 3.14Å; K105-T125 HydrophobicContact CG-CG2 4.07Å; I108-T125 HydrophobicContact CD1-CG2 3.66Å; V123-T125 HydrophobicContact CG1-CG2 4.02Å; T125-K133 HydrophobicContact CG2-CD 4.28Å; T125-K134 CarbonylContact C-O 3.51Å; T125-K134 VanDerWaalsContact CA-O 3.31Å; T125-K134 WeakPolarHBondContact CA-O 3.31Å; T125-A135 HydrophobicContact CG2-CB 4.12Å |
| 126 | L | 98.1 | Very high | 97.3 | Very high | 72 Ų | 72 | 58 Ų | 58 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.8 | 168.3 | 64.7 | 85.4 | 0 | 0 | 0 | 109.9 | R128 K133 K134 Y136 | L126-R128 HydrophobicContact CD1-CG 3.86Å; L126-K133 CarbonylContact O-C 3.58Å; L126-K133 WeakPolarHBondContact O-CA 3.43Å; L126-K133 WeakPolarHBondContact O-CG 3.45Å; L126-K134 HydrophobicContact CD1-CB 3.87Å; L126-K134 HydrophobicContact CG-CB 4.14Å; L126-K134 PolarHBondContact N-O 3.43Å; L126-K134 PolarHBondContact O-N 3.47Å; L126-Y136 HydrophobicContact CD2-CE2 3.66Å; L126-Y136 HydrophobicContact CG-CE2 4.33Å |
| 127 | I | 98.2 | Very high | 97.4 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 56% | 0.559 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.4 | 169.6 | -60.6 | 176 | 0 | 0 | 0 | 106.7 | V101 | V101-I127 HydrophobicContact CG1-CD1 4.45Å |
| 128 | R | 97.4 | Very high | 97.6 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 17% | 0.166 | 30% | 0.297 | C | S | . | . | trans | -74.4 | 156.6 | 175.8 | -68.9 | -165.6 | -74.2 | 162.9 | -8.9 | 110.3 | L126 D130 G131 E132 K134 | L126-R128 HydrophobicContact CD1-CG 3.86Å; R128-D130 HydrophobicContact CB-CB 4.33Å; R128-D130 IonicContact CZ-OD2 3.32Å; R128-D130 IonicContact NE-OD2 3.61Å; R128-D130 IonicContact NH1-OD2 2.82Å; R128-D130 PolarHBondContact NH1-OD2 2.84Å; R128-D130 PolarHBondContact O-N 2.64Å; R128-G131 PolarHBondContact O-N 2.62Å; R128-E132 WeakPolarHBondContact CB-O 3.42Å; R128-E132 IonicContact CZ-OE2 3.92Å; R128-E132 PolarHBondContact N-O 2.82Å; R128-E132 IonicContact NH2-OE2 2.78Å; R128-E132 PolarHBondContact NH2-OE2 2.87Å; R128-K134 HydrophobicContact CG-CB 4.13Å | ||
| 129 | P | 97.8 | Very high | 97.7 | Very high | 137 Ų | 137 | 55.3 Ų | 55.3 | 89% | 0.89 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27 | 171.3 | 24.8 | -34.7 | 0 | 0 | 0 | 112.6 | G131 | P129-G131 PolarHBondContact O-N 3.41Š|
| 130 | D | 94.7 | Very high | 97.8 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 58% | 0.578 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -7.1 | 173.4 | -43.3 | -29.7 | 0 | 0 | 0 | 113.9 | R128 E132 | R128-D130 HydrophobicContact CB-CB 4.33Å; R128-D130 IonicContact CZ-OD2 3.32Å; R128-D130 IonicContact NE-OD2 3.61Å; R128-D130 IonicContact NH1-OD2 2.82Å; R128-D130 PolarHBondContact NH1-OD2 2.84Å; R128-D130 PolarHBondContact O-N 2.64Å; D130-E132 VanDerWaalsContact C-N 3.3Å; D130-E132 PolarHBondContact O-N 3.19Å |
| 131 | G | 95.8 | Very high | 97.7 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 85.1 | -4.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V101 R128 P129 | V101-G131 WeakPolarHBondContact CG2-O 3.34Å; R128-G131 PolarHBondContact O-N 2.62Å; P129-G131 PolarHBondContact O-N 3.41Å |
| 132 | E | 97.4 | Very high | 97.6 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 148.1 | 176.6 | -59.9 | -158.7 | 121.1 | 0 | 0 | 112.9 | K77 I98 R128 D130 | K77-E132 IonicContact NZ-OE1 2.91Å; K77-E132 PolarHBondContact NZ-OE1 3.21Å; I98-E132 HydrophobicContact CG2-CB 4.18Å; I98-E132 VanDerWaalsContact CG2-OE2 3.28Å; I98-E132 WeakPolarHBondContact CG2-OE2 3.47Å; R128-E132 WeakPolarHBondContact CB-O 3.42Å; R128-E132 IonicContact CZ-OE2 3.92Å; R128-E132 PolarHBondContact N-O 2.82Å; R128-E132 IonicContact NH2-OE2 2.78Å; R128-E132 PolarHBondContact NH2-OE2 2.87Å; D130-E132 VanDerWaalsContact C-N 3.3Å; D130-E132 PolarHBondContact O-N 3.19Å |
| 133 | K | 98.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.1 | 177 | -174.4 | -178 | -67.4 | 159.8 | 0 | 110.3 | V99 D100 V101 A103 T125 L126 | V99-K133 HydrophobicContact CG2-CB 3.76Å; V99-K133 HydrophobicContact CG2-CD 3.71Å; V99-K133 HydrophobicContact CG2-CG 3.62Å; V99-K133 WeakPolarHBondContact CG2-O 3.46Å; V99-K133 PolarHBondContact N-O 2.99Å; D100-K133 PolarHBondContact O-NZ 2.78Å; V101-K133 VanDerWaalsContact O-CE 3.31Å; V101-K133 WeakPolarHBondContact O-CE 3.34Å; V101-K133 PolarHBondContact O-NZ 3.49Å; A103-K133 PolarHBondContact O-NZ 2.91Å; T125-K133 HydrophobicContact CG2-CD 4.28Å; L126-K133 CarbonylContact O-C 3.58Å; L126-K133 WeakPolarHBondContact O-CA 3.43Å; L126-K133 WeakPolarHBondContact O-CG 3.45Å |
| 134 | K | 98.5 | Very high | 97.3 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 14% | 0.135 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133 | 171.5 | -175.1 | -175.2 | -59.7 | -164.7 | 0 | 109.1 | L80 V96 F97 I98 T125 L126 R128 Y136 | L80-K134 HydrophobicContact CD2-CD 4.06Å; V96-K134 HydrophobicContact CG1-CD 3.91Å; V96-K134 HydrophobicContact CG1-CG 3.74Å; F97-K134 CarbonylContact O-C 3.55Å; F97-K134 WeakPolarHBondContact O-CA 3.4Å; I98-K134 HydrophobicContact CD1-CB 4.16Å; I98-K134 HydrophobicContact CD1-CG 4.3Å; T125-K134 CarbonylContact C-O 3.51Å; T125-K134 VanDerWaalsContact CA-O 3.31Å; T125-K134 WeakPolarHBondContact CA-O 3.31Å; L126-K134 HydrophobicContact CD1-CB 3.87Å; L126-K134 HydrophobicContact CG-CB 4.14Å; L126-K134 PolarHBondContact N-O 3.43Å; L126-K134 PolarHBondContact O-N 3.47Å; R128-K134 HydrophobicContact CG-CB 4.13Å; K134-Y136 HydrophobicContact CD-CE1 4.34Å; K134-Y136 HydrophobicContact CD-CE2 4Å; K134-Y136 WeakPolarHBondContact CD-OH 3.28Å; K134-Y136 HydrophobicContact CG-CE2 4.37Å |
| 135 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V96 F97 V99 I108 V123 N124 T125 V137 | V96-A135 WeakPolarHBondContact CA-O 3.18Å; F97-A135 PolarHBondContact N-O 3.37Å; F97-A135 PolarHBondContact O-N 3.41Å; V99-A135 HydrophobicContact CG1-CB 3.96Å; V99-A135 HydrophobicContact CG2-CB 4.01Å; I108-A135 HydrophobicContact CD1-CB 4.23Å; I108-A135 HydrophobicContact CG2-CB 4.22Å; V123-A135 HydrophobicContact CG1-CB 4.47Å; N124-A135 CarbonylContact O-C 3.36Å; N124-A135 WeakPolarHBondContact O-CA 3.31Å; T125-A135 HydrophobicContact CG2-CB 4.12Å; A135-V137 HydrophobicContact CB-CG2 4.35Å |
| 136 | Y | 98.5 | Very high | 97.1 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.9 | 166.3 | -56.9 | -90 | 0 | 0 | 0 | 108.1 | V96 V123 N124 L126 K134 | V96-Y136 HydrophobicContact CG1-CD1 4.2Å; V96-Y136 HydrophobicContact CG1-CE1 4.12Å; V96-Y136 HydrophobicContact CG2-CD1 3.65Å; V96-Y136 HydrophobicContact CG2-CE1 3.93Å; V123-Y136 WeakPolarHBondContact CA-O 3.38Å; N124-Y136 PolarHBondContact N-O 3.27Å; N124-Y136 PolarHBondContact O-N 2.96Å; L126-Y136 HydrophobicContact CD2-CE2 3.66Å; L126-Y136 HydrophobicContact CG-CE2 4.33Å; K134-Y136 HydrophobicContact CD-CE1 4.34Å; K134-Y136 HydrophobicContact CD-CE2 4Å; K134-Y136 WeakPolarHBondContact CD-OH 3.28Å; K134-Y136 HydrophobicContact CG-CE2 4.37Å |
| 137 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 104.8 | -173.8 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | T94 L95 F97 I108 V112 V120 V123 A135 L139 | T94-V137 CarbonylContact C-O 3.55Å; T94-V137 VanDerWaalsContact CA-O 3.3Å; T94-V137 WeakPolarHBondContact CA-O 3.42Å; L95-V137 PolarHBondContact N-O 3.12Å; L95-V137 PolarHBondContact O-N 2.99Å; F97-V137 HydrophobicContact CD2-CB 4.41Å; F97-V137 HydrophobicContact CD2-CG2 3.87Å; F97-V137 HydrophobicContact CE2-CB 4.43Å; F97-V137 HydrophobicContact CE2-CG2 4.29Å; I108-V137 HydrophobicContact CG2-CG2 4.2Å; V112-V137 HydrophobicContact CG1-CG1 4.26Å; V112-V137 HydrophobicContact CG2-CG1 4.23Å; V112-V137 HydrophobicContact CG2-CG2 4.23Å; V120-V137 HydrophobicContact CB-CG1 4.24Å; V120-V137 HydrophobicContact CG1-CG1 3.56Å; V120-V137 HydrophobicContact CG2-CG1 3.63Å; V123-V137 HydrophobicContact CG1-CG2 4.36Å; V123-V137 HydrophobicContact CG2-CG1 4.36Å; V123-V137 HydrophobicContact CG2-CG2 4.4Å; A135-V137 HydrophobicContact CB-CG2 4.35Å; V137-L139 HydrophobicContact CG1-CD2 4.34Å |
| 138 | R | 98.1 | Very high | 96.7 | Very high | 115 Ų | 115 | 58.5 Ų | 58.5 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.2 | 174.7 | -170 | 169.6 | 174.4 | 174 | -9.7 | 109.2 | T94 A121 K122 | T94-R138 HydrophobicContact CG2-CB 3.51Å; T94-R138 HydrophobicContact CG2-CG 3.76Å; A121-R138 PolarHBondContact N-O 2.88Å; K122-R138 HydrophobicContact CG-CB 3.68Å; K122-R138 PolarHBondContact N-O 3.09Å; K122-R138 PolarHBondContact O-N 3.37Å |
| 139 | L | 97.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 162.3 | 178.7 | -53.5 | -173.8 | 0 | 0 | 0 | 110.8 | N93 L95 I118 V120 A121 V137 A145 V148 | N93-L139 PolarHBondContact O-N 2.7Å; L95-L139 HydrophobicContact CD1-CD1 4.19Å; L95-L139 HydrophobicContact CD1-CD2 4.2Å; L95-L139 HydrophobicContact CG-CD1 4.4Å; I118-L139 HydrophobicContact CG2-CB 4.47Å; I118-L139 HydrophobicContact CG2-CD1 4.07Å; I118-L139 HydrophobicContact CG2-CD2 3.74Å; I118-L139 HydrophobicContact CG2-CG 4.3Å; V120-L139 HydrophobicContact CG2-CD2 4.48Å; A121-L139 WeakPolarHBondContact CB-O 3.12Å; V137-L139 HydrophobicContact CG1-CD2 4.34Å; L139-A145 HydrophobicContact CD1-CB 3.79Å; L139-A145 HydrophobicContact CG-CB 4.48Å; L139-V148 HydrophobicContact CD1-CG2 4.25Å |
| 140 | A | 97.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 150.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | D119 D142 Y143 | D119-A140 HydrophobicContact CB-CB 4Å; D119-A140 WeakPolarHBondContact O-CB 3.39Å; D119-A140 PolarHBondContact O-N 3.13Å; A140-D142 PolarHBondContact O-N 2.96Å; A140-D142 VanDerWaalsContact O-N 3.1Å; A140-Y143 HydrophobicContact CB-CD2 4.29Å; A140-Y143 PolarHBondContact O-N 3.4Å; A140-Y143 VanDerWaalsContact O-N 3.11Å; A140-Y143 VanDerWaalsContact O-O 3.13Å |
| 141 | P | 95.8 | Very high | 96.4 | Very high | 120 Ų | 120 | 57.2 Ų | 57.2 | 78% | 0.779 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.6 | -178.8 | 26.7 | -35.1 | 0 | 0 | 0 | 113.3 | Y143 | P141-Y143 PolarHBondContact O-N 3.16Š|
| 142 | D | 95.5 | Very high | 96.3 | Very high | 140 Ų | 140 | 57.2 Ų | 57.2 | 75% | 0.749 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -12.2 | 179.3 | -45.6 | -34.6 | 0 | 0 | 0 | 113.2 | A140 | A140-D142 PolarHBondContact O-N 2.96Å; A140-D142 VanDerWaalsContact O-N 3.1Å |
| 143 | Y | 95.6 | Very high | 96.1 | Very high | 85 Ų | 85 | 57.9 Ų | 57.9 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -119.3 | 135.9 | 179.1 | -66.7 | -93.9 | 0 | 0 | 0 | 110.2 | N93 I118 D119 A140 P141 | N93-Y143 PolarHBondContact ND2-O 2.77Å; N93-Y143 PolarHBondContact OD1-O 2.82Å; I118-Y143 HydrophobicContact CB-CD1 4.48Å; I118-Y143 HydrophobicContact CG1-CD1 4.44Å; I118-Y143 HydrophobicContact CG2-CD1 3.91Å; I118-Y143 HydrophobicContact CG2-CD2 4.14Å; I118-Y143 HydrophobicContact CG2-CE1 4.45Å; I118-Y143 HydrophobicContact CG2-CG 3.73Å; D119-Y143 HydrophobicContact CB-CD2 4.26Å; D119-Y143 HydrophobicContact CB-CE2 3.81Å; A140-Y143 HydrophobicContact CB-CD2 4.29Å; A140-Y143 PolarHBondContact O-N 3.4Å; A140-Y143 VanDerWaalsContact O-N 3.11Å; A140-Y143 VanDerWaalsContact O-O 3.13Å; P141-Y143 PolarHBondContact O-N 3.16Å |
| 144 | D | 95.5 | Very high | 95.8 | Very high | 78 Ų | 78 | 58 Ų | 58 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | trans | -91.2 | 129.6 | 171.5 | -167 | -4.8 | 0 | 0 | 0 | 111.2 | L146 D147 V148 | D144-L146 VanDerWaalsContact C-N 3.28Å; D144-L146 PolarHBondContact O-N 2.91Å; D144-L146 PolarHBondContact OD1-N 3.44Å; D144-L146 VanDerWaalsContact OD1-N 3.1Å; D144-D147 HydrophobicContact CB-CB 4.43Å; D144-V148 WeakPolarHBondContact O-CG2 3.31Å; D144-V148 PolarHBondContact O-N 2.81Å | ||
| 145 | A | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.7 | -26.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I89 N93 L95 L139 A149 | I89-A145 HydrophobicContact CG2-CB 3.81Å; N93-A145 WeakPolarHBondContact OD1-CB 3.2Å; N93-A145 PolarHBondContact OD1-N 2.78Å; L95-A145 HydrophobicContact CD2-CB 4.02Å; L95-A145 HydrophobicContact CG-CB 4.23Å; L139-A145 HydrophobicContact CD1-CB 3.79Å; L139-A145 HydrophobicContact CG-CB 4.48Å; A145-A149 VanDerWaalsContact O-CB 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.25Å; A145-A149 PolarHBondContact O-N 3.41Å |
| 146 | L | 95.7 | Very high | 95 | Very high | 55 Ų | 55 | 65.3 Ų | 65.3 | 29% | 0.288 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.5 | -48.9 | 176.9 | -73.1 | 170.9 | 0 | 0 | 0 | 111.4 | I89 E90 D144 V148 A149 N150 I155 | I89-L146 HydrophobicContact CG2-CD2 3.71Å; I89-L146 HydrophobicContact CG2-CG 4.12Å; E90-L146 HydrophobicContact CG-CD2 3.99Å; D144-L146 VanDerWaalsContact C-N 3.28Å; D144-L146 PolarHBondContact O-N 2.91Å; D144-L146 PolarHBondContact OD1-N 3.44Å; D144-L146 VanDerWaalsContact OD1-N 3.1Å; L146-V148 VanDerWaalsContact C-N 3.28Å; L146-V148 PolarHBondContact O-N 2.95Å; L146-A149 WeakPolarHBondContact O-CB 3Å; L146-A149 PolarHBondContact O-N 2.78Å; L146-A149 VanDerWaalsContact O-N 3.09Å; L146-N150 PolarHBondContact O-N 3.17Å; L146-N150 PolarHBondContact O-ND2 2.85Å; L146-I155 HydrophobicContact CD2-CD1 4.45Å |
| 147 | D | 94.4 | Very high | 94.8 | Very high | 107 Ų | 107 | 65.2 Ų | 65.2 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.6 | -39.9 | 176.9 | -71.8 | -16.5 | 0 | 0 | 0 | 112.3 | D144 N150 K151 | D144-D147 HydrophobicContact CB-CB 4.43Å; D147-N150 WeakPolarHBondContact O-CB 3.49Å; D147-N150 PolarHBondContact O-N 2.77Å; D147-K151 PolarHBondContact O-N 3.47Å; D147-K151 VanDerWaalsContact O-N 3.12Å |
| 148 | V | 94.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 68.8 Ų | 68.8 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.4 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L95 I118 L139 D144 L146 N150 K151 I152 | L95-V148 HydrophobicContact CD1-CB 4.4Å; L95-V148 HydrophobicContact CD1-CG1 3.62Å; I118-V148 HydrophobicContact CD1-CB 3.94Å; I118-V148 HydrophobicContact CD1-CG1 3.25Å; I118-V148 HydrophobicContact CD1-CG2 3.4Å; I118-V148 HydrophobicContact CG1-CG1 4.49Å; I118-V148 HydrophobicContact CG1-CG2 3.85Å; L139-V148 HydrophobicContact CD1-CG2 4.25Å; D144-V148 WeakPolarHBondContact O-CG2 3.31Å; D144-V148 PolarHBondContact O-N 2.81Å; L146-V148 VanDerWaalsContact C-N 3.28Å; L146-V148 PolarHBondContact O-N 2.95Å; V148-N150 VanDerWaalsContact C-N 3.29Å; V148-N150 PolarHBondContact O-N 3.24Å; V148-K151 WeakPolarHBondContact O-CB 3.41Å; V148-K151 PolarHBondContact O-N 2.91Å; V148-K151 VanDerWaalsContact O-N 3.09Å; V148-I152 HydrophobicContact CG1-CD1 3.62Å; V148-I152 HydrophobicContact CG1-CG1 4.17Å; V148-I152 VanDerWaalsContact O-CG1 3.29Å; V148-I152 WeakPolarHBondContact O-CG1 3.33Å; V148-I152 PolarHBondContact O-N 3.26Å |
| 149 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -38.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I89 L95 A145 L146 I152 G153 I154 I155 | I89-A149 HydrophobicContact CD1-CB 4.26Å; I89-A149 HydrophobicContact CG2-CB 4.38Å; L95-A149 HydrophobicContact CD2-CB 4.42Å; A145-A149 VanDerWaalsContact O-CB 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.25Å; A145-A149 PolarHBondContact O-N 3.41Å; L146-A149 WeakPolarHBondContact O-CB 3Å; L146-A149 PolarHBondContact O-N 2.78Å; L146-A149 VanDerWaalsContact O-N 3.09Å; A149-I152 PolarHBondContact O-N 2.82Å; A149-G153 PolarHBondContact O-N 3.17Å; A149-I154 PolarHBondContact O-N 2.95Å; A149-I154 VanDerWaalsContact O-N 3.09Å; A149-I155 HydrophobicContact CB-CG2 4.18Å |
| 150 | N | 95.2 | Very high | 94.2 | Very high | 93 Ų | 93 | 70.1 Ų | 70.1 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 171 | -72.8 | -41.9 | 0 | 0 | 0 | 111.2 | L146 D147 V148 I152 G153 I155 | L146-N150 PolarHBondContact O-N 3.17Å; L146-N150 PolarHBondContact O-ND2 2.85Å; D147-N150 WeakPolarHBondContact O-CB 3.49Å; D147-N150 PolarHBondContact O-N 2.77Å; V148-N150 VanDerWaalsContact C-N 3.29Å; V148-N150 PolarHBondContact O-N 3.24Å; N150-I152 VanDerWaalsContact C-N 3.29Å; N150-I152 PolarHBondContact O-N 3.3Å; N150-G153 PolarHBondContact O-N 3.05Å; N150-G153 VanDerWaalsContact O-N 3.12Å; N150-I155 HydrophobicContact CB-CG2 4.4Å; N150-I155 WeakPolarHBondContact OD1-CG2 3.32Å |
| 151 | K | 93.4 | Very high | 94 | Very high | 170 Ų | 170 | 73.9 Ų | 73.9 | 74% | 0.739 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.5 | -32.1 | 179.5 | -168.5 | 177.8 | -178 | -176.3 | 0 | 112.9 | D147 V148 | D147-K151 PolarHBondContact O-N 3.47Å; D147-K151 VanDerWaalsContact O-N 3.12Å; V148-K151 WeakPolarHBondContact O-CB 3.41Å; V148-K151 PolarHBondContact O-N 2.91Å; V148-K151 VanDerWaalsContact O-N 3.09Å |
| 152 | I | 93.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 70.6 Ų | 70.6 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -78 | -25.6 | 175.6 | -59.4 | 171.2 | 0 | 0 | 0 | 111.1 | P79 L95 F97 Y116 V148 A149 N150 I154 | P79-I152 HydrophobicContact CG-CG2 4.24Å; L95-I152 HydrophobicContact CD1-CD1 4.46Å; F97-I152 HydrophobicContact CZ-CD1 4.37Å; Y116-I152 HydrophobicContact CD1-CD1 3.83Å; Y116-I152 HydrophobicContact CD1-CG1 3.68Å; Y116-I152 HydrophobicContact CD2-CD1 4.26Å; Y116-I152 HydrophobicContact CE1-CB 4.5Å; Y116-I152 HydrophobicContact CE1-CD1 3.7Å; Y116-I152 HydrophobicContact CE1-CG1 3.54Å; Y116-I152 HydrophobicContact CE1-CG2 4.21Å; Y116-I152 HydrophobicContact CE2-CD1 4.13Å; Y116-I152 HydrophobicContact CG-CD1 4.11Å; Y116-I152 HydrophobicContact CG-CG1 4.41Å; V148-I152 HydrophobicContact CG1-CD1 3.62Å; V148-I152 HydrophobicContact CG1-CG1 4.17Å; V148-I152 VanDerWaalsContact O-CG1 3.29Å; V148-I152 WeakPolarHBondContact O-CG1 3.33Å; V148-I152 PolarHBondContact O-N 3.26Å; A149-I152 PolarHBondContact O-N 2.82Å; N150-I152 VanDerWaalsContact C-N 3.29Å; N150-I152 PolarHBondContact O-N 3.3Å; I152-I154 HydrophobicContact CB-CD1 3.79Å; I152-I154 HydrophobicContact CB-CG1 4.12Å; I152-I154 HydrophobicContact CD1-CD1 4.18Å; I152-I154 HydrophobicContact CG2-CD1 3.57Å; I152-I154 HydrophobicContact CG2-CG1 3.77Å |
| 153 | G | 92.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 63% | 0.629 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 38.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A149 N150 | A149-G153 PolarHBondContact O-N 3.17Å; N150-G153 PolarHBondContact O-N 3.05Å; N150-G153 VanDerWaalsContact O-N 3.12Å |
| 154 | I | 92.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | trans | -96.9 | -16.4 | 179.6 | -60.6 | 157.1 | 0 | 0 | 0 | 112.1 | P79 T81 M86 A149 I152 | P79-I154 HydrophobicContact CB-CD1 3.22Å; P79-I154 HydrophobicContact CB-CG1 3.77Å; P79-I154 HydrophobicContact CG-CD1 3.44Å; P79-I154 VanDerWaalsContact CG-CD1 3.44Å; P79-I154 HydrophobicContact CG-CG1 3.45Å; P79-I154 VanDerWaalsContact CG-CG1 3.45Å; T81-I154 HydrophobicContact CG2-CG2 3.5Å; M86-I154 HydrophobicContact SD-CG2 4.18Å; A149-I154 PolarHBondContact O-N 2.95Å; A149-I154 VanDerWaalsContact O-N 3.09Å; I152-I154 HydrophobicContact CB-CD1 3.79Å; I152-I154 HydrophobicContact CB-CG1 4.12Å; I152-I154 HydrophobicContact CD1-CD1 4.18Å; I152-I154 HydrophobicContact CG2-CD1 3.57Å; I152-I154 HydrophobicContact CG2-CG1 3.77Å | ||
| 155 | I | 84.8 | Confident | 93.4 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | trans | -130 | 0 | -176.2 | -165.8 | 155.6 | 0 | 0 | 0 | 110 | M86 L146 A149 N150 | M86-I155 HydrophobicContact CE-CB 4.01Å; M86-I155 HydrophobicContact CE-CD1 3.8Å; M86-I155 HydrophobicContact CE-CG1 3.91Å; L146-I155 HydrophobicContact CD2-CD1 4.45Å; A149-I155 HydrophobicContact CB-CG2 4.18Å; N150-I155 HydrophobicContact CB-CG2 4.4Å; N150-I155 WeakPolarHBondContact OD1-CG2 3.32Å |
Retrieved 155 of 155 residues in 319.1 ms
(Link to these results)