| 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 | 44.2 | Very low | 248 Ų | 248 | 164.3 Ų | 164.3 | 100% | 1.222 | 85% | 0.849 | S | S | * | * | 0 | 126 | 0 | -55.8 | -59 | -166.8 | 0 | 0 | 107.5 | |||||
| 2 | G | 36.5 | Very low | 43.9 | Very low | 74 Ų | 74 | 163 Ų | 163 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | cis | -167.5 | 159.9 | -6.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | F | 40.9 | Very low | 44.6 | Very low | 203 Ų | 203 | 161.5 Ų | 161.5 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -75.9 | 151.5 | 179 | -71.8 | -104.4 | 0 | 0 | 0 | 112.5 | ||||
| 4 | R | 44.2 | Very low | 44.6 | Very low | 220 Ų | 220 | 167.5 Ų | 167.5 | 83% | 0.83 | 84% | 0.844 | S | S | * | * | 174.2 | 142.9 | 113.6 | -95.2 | 173.7 | -134.7 | -100 | 5.2 | 113.3 | |||||
| 5 | I | 49.5 | Very low | 45 | Very low | 158 Ų | 158 | 167.9 Ų | 167.9 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | 49.5 | 126.8 | 141.6 | -51.9 | 161.8 | 0 | 0 | 0 | 117.4 | ||||
| 6 | G | 39.9 | Very low | 45.3 | Very low | 64 Ų | 64 | 161.8 Ų | 161.8 | 66% | 0.66 | 82% | 0.822 | S | S | * | * | cis | 135.3 | 156.7 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 7 | E | 51.6 | Low | 45.6 | Very low | 201 Ų | 201 | 159.1 Ų | 159.1 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -163.6 | 162.2 | 157.8 | -121.5 | 172.5 | -147.1 | 0 | 0 | 112.5 | ||||
| 8 | N | 43.5 | Very low | 46 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -105 | 115.4 | -166.1 | -64.5 | -85.5 | 0 | 0 | 0 | 112.6 | L10 | N8-L10 PolarHBondContact O-N 3.28Š| ||
| 9 | L | 48.4 | Very low | 46.4 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 99% | 0.99 | 79% | 0.792 | S | S | * | * | trans | -91.1 | 77.3 | 168.3 | -97.3 | 165.1 | 0 | 0 | 0 | 111.2 | ||||
| 10 | L | 47.4 | Very low | 46.7 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | -113 | 127.6 | 178.9 | -156.5 | 76.7 | 0 | 0 | 0 | 110.7 | N8 | N8-L10 PolarHBondContact O-N 3.28Š| ||
| 11 | F | 47.5 | Very low | 47.2 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 74% | 0.737 | 78% | 0.779 | S | S | * | * | trans | 64.9 | 135.6 | -178.7 | -56.4 | -76.7 | 0 | 0 | 0 | 115.4 | ||||
| 12 | N | 39.7 | Very low | 48.1 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | -151.6 | 137.5 | 54.1 | -97.5 | -82.7 | 0 | 0 | 0 | 115.6 | R14 | N12-R14 PolarHBondContact O-N 3.29Š| |||
| 13 | L | 53 | Low | 49.2 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -82 | 93.5 | 177.1 | 179.8 | 70.3 | 0 | 0 | 0 | 111.5 | K15 | L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 2.85Å | ||
| 14 | R | 44.4 | Very low | 50.1 | Low | 245 Ų | 245 | 140.3 Ų | 140.3 | 93% | 0.925 | 72% | 0.718 | S | S | * | * | trans | -72.5 | 80.1 | 172.1 | -77.1 | -166.8 | 173.7 | -162.2 | -0.3 | 112.1 | N12 A16 | N12-R14 PolarHBondContact O-N 3.29Å; R14-A16 PolarHBondContact O-N 3.37Å | ||
| 15 | K | 51.1 | Low | 50.9 | Low | 174 Ų | 174 | 137.9 Ų | 137.9 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | trans | -66.9 | 95.5 | 176.9 | -167.4 | 87.8 | 173.7 | -172.5 | 0 | 111.4 | L13 | L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 2.85Å | ||
| 16 | A | 49.4 | Very low | 51.5 | Low | 70 Ų | 70 | 133.9 Ų | 133.9 | 58% | 0.579 | 70% | 0.696 | S | S | * | * | trans | -61 | 123.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R14 G18 | R14-A16 PolarHBondContact O-N 3.37Å; A16-G18 PolarHBondContact O-N 3.07Å | ||
| 17 | P | 51.5 | Low | 52.6 | Low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -28.7 | -170.2 | 24.6 | -33.4 | 0 | 0 | 0 | 114.3 | S19 R20 | P17-S19 VanDerWaalsContact C-N 3.27Å; P17-S19 PolarHBondContact O-N 3.4Å; P17-R20 PolarHBondContact O-N 3.25Å |
| 18 | G | 51.4 | Low | 53.2 | Low | 56 Ų | 56 | 131 Ų | 131 | 58% | 0.577 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -63.1 | -26.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | A16 R20 | A16-G18 PolarHBondContact O-N 3.07Å; G18-R20 PolarHBondContact O-N 3.41Å |
| 19 | S | 54.9 | Low | 54.4 | Low | 83 Ų | 83 | 127.1 Ų | 127.1 | 58% | 0.58 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -58.9 | -44.7 | 179.1 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | P17 V21 K22 A23 | P17-S19 VanDerWaalsContact C-N 3.27Å; P17-S19 PolarHBondContact O-N 3.4Å; S19-V21 VanDerWaalsContact C-N 3.31Å; S19-V21 PolarHBondContact O-N 3.31Å; S19-K22 PolarHBondContact O-N 3.28Å; S19-A23 WeakPolarHBondContact O-CB 3.39Å; S19-A23 PolarHBondContact O-N 3.18Å |
| 20 | R | 52.6 | Low | 55.8 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 65% | 0.653 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.2 | -30.4 | -169.6 | -155.3 | 179.2 | -163.6 | -176.8 | 5.3 | 112.8 | P17 G18 R24 | P17-R20 PolarHBondContact O-N 3.25Å; G18-R20 PolarHBondContact O-N 3.41Å; R20-R24 WeakPolarHBondContact O-CB 3.17Å; R20-R24 WeakPolarHBondContact O-CD 3.42Å; R20-R24 WeakPolarHBondContact O-CG 3.32Å; R20-R24 PolarHBondContact O-N 2.95Å; R20-R24 VanDerWaalsContact O-N 3.16Å |
| 21 | V | 56.4 | Low | 57.4 | Low | 106 Ų | 106 | 118.8 Ų | 118.8 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.6 | -44.4 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | S19 R24 K25 | S19-V21 VanDerWaalsContact C-N 3.31Å; S19-V21 PolarHBondContact O-N 3.31Å; V21-R24 PolarHBondContact O-N 2.92Å; V21-K25 PolarHBondContact O-N 3.31Å |
| 22 | K | 57.1 | Low | 59.1 | Low | 163 Ų | 163 | 115.9 Ų | 115.9 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -43.5 | 178.6 | -160 | 168.6 | -175.5 | 177.2 | 0 | 111.3 | S19 R24 K25 T26 | S19-K22 PolarHBondContact O-N 3.28Å; K22-R24 PolarHBondContact O-N 3.16Å; K22-K25 PolarHBondContact O-N 2.98Å; K22-T26 PolarHBondContact O-N 3.33Å; K22-T26 PolarHBondContact O-OG1 2.93Å |
| 23 | A | 59 | Low | 61.2 | Low | 41 Ų | 41 | 110.4 Ų | 110.4 | 34% | 0.339 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.9 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S19 T26 M27 | S19-A23 WeakPolarHBondContact O-CB 3.39Å; S19-A23 PolarHBondContact O-N 3.18Å; A23-T26 WeakPolarHBondContact CA-OG1 3.33Å; A23-T26 PolarHBondContact O-OG1 3.22Å; A23-M27 WeakPolarHBondContact O-CB 3.38Å; A23-M27 WeakPolarHBondContact O-CG 3.44Å; A23-M27 PolarHBondContact O-N 3.46Å |
| 24 | R | 59.3 | Low | 63 | Low | 145 Ų | 145 | 104.3 Ų | 104.3 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -43.7 | 172.2 | -81.1 | 171.5 | 171 | -171.9 | -6.1 | 111.8 | R20 V21 K22 M27 V28 | R20-R24 WeakPolarHBondContact O-CB 3.17Å; R20-R24 WeakPolarHBondContact O-CD 3.42Å; R20-R24 WeakPolarHBondContact O-CG 3.32Å; R20-R24 PolarHBondContact O-N 2.95Å; R20-R24 VanDerWaalsContact O-N 3.16Å; V21-R24 PolarHBondContact O-N 2.92Å; K22-R24 PolarHBondContact O-N 3.16Å; R24-M27 HydrophobicContact CG-CE 4.39Å; R24-M27 PolarHBondContact O-N 2.94Å; R24-V28 WeakPolarHBondContact O-CG2 3.46Å; R24-V28 PolarHBondContact O-N 3.4Å |
| 25 | K | 61.5 | Low | 65.2 | Low | 168 Ų | 168 | 95.2 Ų | 95.2 | 73% | 0.73 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -39.3 | 179.5 | -169.1 | 164.9 | -178.4 | 172.6 | 0 | 112.1 | V21 K22 V28 S29 | V21-K25 PolarHBondContact O-N 3.31Å; K22-K25 PolarHBondContact O-N 2.98Å; K25-V28 PolarHBondContact O-N 3.04Å; K25-S29 PolarHBondContact O-N 2.9Å; K25-S29 PolarHBondContact O-OG 3.05Å |
| 26 | T | 62.8 | Low | 67.3 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 174.6 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | K22 A23 V28 S29 V30 | K22-T26 PolarHBondContact O-N 3.33Å; K22-T26 PolarHBondContact O-OG1 2.93Å; A23-T26 WeakPolarHBondContact CA-OG1 3.33Å; A23-T26 PolarHBondContact O-OG1 3.22Å; T26-V28 VanDerWaalsContact C-N 3.33Å; T26-V28 PolarHBondContact O-N 3.17Å; T26-S29 WeakPolarHBondContact CA-OG 3.32Å; T26-S29 PolarHBondContact O-N 3.32Å; T26-S29 PolarHBondContact O-OG 2.98Å; T26-V30 WeakPolarHBondContact O-CG2 3.36Å; T26-V30 PolarHBondContact O-N 3.28Å |
| 27 | M | 62.3 | Low | 69.5 | Low | 115 Ų | 115 | 89.1 Ų | 89.1 | 57% | 0.567 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 173.8 | -75.4 | -172.9 | -62.5 | 0 | 0 | 112.1 | A23 R24 V30 T31 | A23-M27 WeakPolarHBondContact O-CB 3.38Å; A23-M27 WeakPolarHBondContact O-CG 3.44Å; A23-M27 PolarHBondContact O-N 3.46Å; R24-M27 HydrophobicContact CG-CE 4.39Å; R24-M27 PolarHBondContact O-N 2.94Å; M27-V30 PolarHBondContact O-N 3.23Å; M27-T31 WeakPolarHBondContact O-CG2 3.32Å; M27-T31 PolarHBondContact O-N 3.45Å; M27-T31 PolarHBondContact O-OG1 3.09Å |
| 28 | V | 63.5 | Low | 71.6 | Confident | 88 Ų | 88 | 85.9 Ų | 85.9 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 112 | R24 K25 T26 V30 T31 M32 | R24-V28 WeakPolarHBondContact O-CG2 3.46Å; R24-V28 PolarHBondContact O-N 3.4Å; K25-V28 PolarHBondContact O-N 3.04Å; T26-V28 VanDerWaalsContact C-N 3.33Å; T26-V28 PolarHBondContact O-N 3.17Å; V28-V30 VanDerWaalsContact C-N 3.31Å; V28-V30 PolarHBondContact O-N 3.45Å; V28-T31 PolarHBondContact O-N 3.46Å; V28-T31 PolarHBondContact O-OG1 3.45Å; V28-M32 VanDerWaalsContact O-CG 3.27Å; V28-M32 WeakPolarHBondContact O-CG 3.27Å; V28-M32 PolarHBondContact O-N 3.33Å; V28-M32 VanDerWaalsContact O-N 3.09Å |
| 29 | S | 69.4 | Low | 73.7 | Confident | 71 Ų | 71 | 86.8 Ų | 86.8 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.2 | -35.3 | 173.9 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | K25 T26 A33 | K25-S29 PolarHBondContact O-N 2.9Å; K25-S29 PolarHBondContact O-OG 3.05Å; T26-S29 WeakPolarHBondContact CA-OG 3.32Å; T26-S29 PolarHBondContact O-N 3.32Å; T26-S29 PolarHBondContact O-OG 2.98Å; S29-A33 WeakPolarHBondContact O-CB 3.47Å; S29-A33 PolarHBondContact O-N 2.85Å; S29-A33 VanDerWaalsContact O-N 3.1Å |
| 30 | V | 78.3 | Confident | 75.6 | Confident | 66 Ų | 66 | 83.6 Ų | 83.6 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.5 | -50.7 | 174.1 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | T26 M27 V28 M32 A33 T34 V59 | T26-V30 WeakPolarHBondContact O-CG2 3.36Å; T26-V30 PolarHBondContact O-N 3.28Å; M27-V30 PolarHBondContact O-N 3.23Å; V28-V30 VanDerWaalsContact C-N 3.31Å; V28-V30 PolarHBondContact O-N 3.45Å; V30-M32 VanDerWaalsContact C-N 3.29Å; V30-M32 PolarHBondContact O-N 2.99Å; V30-A33 PolarHBondContact O-N 2.84Å; V30-A33 VanDerWaalsContact O-N 3.12Å; V30-T34 PolarHBondContact O-N 3.02Å; V30-T34 PolarHBondContact O-OG1 3.3Å; V30-V59 HydrophobicContact CG1-CG1 4.27Å |
| 31 | T | 79.8 | Confident | 77.7 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -32.4 | -178.5 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | M27 V28 S35 | M27-T31 WeakPolarHBondContact O-CG2 3.32Å; M27-T31 PolarHBondContact O-N 3.45Å; M27-T31 PolarHBondContact O-OG1 3.09Å; V28-T31 PolarHBondContact O-N 3.46Å; V28-T31 PolarHBondContact O-OG1 3.45Å; T31-S35 WeakPolarHBondContact O-CB 3.4Å; T31-S35 PolarHBondContact O-N 3.1Å |
| 32 | M | 82.9 | Confident | 79.6 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.3 | -50.2 | 171 | -66 | -66 | 93.8 | 0 | 0 | 111.4 | V28 V30 T34 S35 E36 | V28-M32 VanDerWaalsContact O-CG 3.27Å; V28-M32 WeakPolarHBondContact O-CG 3.27Å; V28-M32 PolarHBondContact O-N 3.33Å; V28-M32 VanDerWaalsContact O-N 3.09Å; V30-M32 VanDerWaalsContact C-N 3.29Å; V30-M32 PolarHBondContact O-N 2.99Å; M32-T34 PolarHBondContact O-N 3.12Å; M32-S35 WeakPolarHBondContact O-CB 3.42Å; M32-S35 PolarHBondContact O-N 3.36Å; M32-S35 PolarHBondContact O-OG 3.08Å; M32-E36 PolarHBondContact O-N 3.25Å; M32-E36 VanDerWaalsContact O-N 3.14Å |
| 33 | A | 84.6 | Confident | 81.4 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S29 V30 S35 E36 W37 V59 | S29-A33 WeakPolarHBondContact O-CB 3.47Å; S29-A33 PolarHBondContact O-N 2.85Å; S29-A33 VanDerWaalsContact O-N 3.1Å; V30-A33 PolarHBondContact O-N 2.84Å; V30-A33 VanDerWaalsContact O-N 3.12Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 3.19Å; A33-E36 PolarHBondContact O-N 2.89Å; A33-W37 VanDerWaalsContact O-CD1 3.27Å; A33-W37 PolarHBondContact O-N 2.88Å; A33-V59 HydrophobicContact CB-CG2 3.96Å |
| 34 | T | 90.8 | Very high | 83.1 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 174.4 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | V30 M32 E36 W37 I38 A55 V56 | V30-T34 PolarHBondContact O-N 3.02Å; V30-T34 PolarHBondContact O-OG1 3.3Å; M32-T34 PolarHBondContact O-N 3.12Å; T34-E36 PolarHBondContact O-N 3.25Å; T34-W37 PolarHBondContact O-N 3Å; T34-I38 HydrophobicContact CG2-CD1 4.01Å; T34-I38 HydrophobicContact CG2-CG1 4.42Å; T34-I38 VanDerWaalsContact O-CG1 3.27Å; T34-I38 WeakPolarHBondContact O-CG1 3.32Å; T34-I38 PolarHBondContact O-N 3.06Å; T34-A55 HydrophobicContact CG2-CB 3.74Å; T34-V56 HydrophobicContact CG2-CG2 3.98Å |
| 35 | S | 91.6 | Very high | 84.8 | Confident | 54 Ų | 54 | 68.4 Ų | 68.4 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 178.6 | 76.8 | 0 | 0 | 0 | 0 | 113.7 | T31 M32 A33 Q39 | T31-S35 WeakPolarHBondContact O-CB 3.4Å; T31-S35 PolarHBondContact O-N 3.1Å; M32-S35 WeakPolarHBondContact O-CB 3.42Å; M32-S35 PolarHBondContact O-N 3.36Å; M32-S35 PolarHBondContact O-OG 3.08Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 3.19Å; S35-Q39 PolarHBondContact O-N 2.82Å; S35-Q39 VanDerWaalsContact O-N 3.12Å |
| 36 | E | 93.8 | Very high | 86.4 | Confident | 101 Ų | 101 | 60.7 Ų | 60.7 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 172.6 | -67.4 | -172.9 | -140.6 | 0 | 0 | 111.6 | M32 A33 T34 Q39 F40 K65 | M32-E36 PolarHBondContact O-N 3.25Å; M32-E36 VanDerWaalsContact O-N 3.14Å; A33-E36 PolarHBondContact O-N 2.89Å; T34-E36 PolarHBondContact O-N 3.25Å; E36-Q39 PolarHBondContact O-N 3.3Å; E36-F40 PolarHBondContact O-N 3.4Å; E36-K65 IonicContact OE2-NZ 2.66Å; E36-K65 PolarHBondContact OE2-NZ 3.31Å |
| 37 | W | 95.4 | Very high | 87.9 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 6% | 0.057 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 176.6 | -75.1 | 115.5 | 0 | 0 | 0 | 112.6 | A33 T34 Q39 F40 F41 A55 F58 I63 K65 L68 | A33-W37 VanDerWaalsContact O-CD1 3.27Å; A33-W37 PolarHBondContact O-N 2.88Å; T34-W37 PolarHBondContact O-N 3Å; W37-Q39 VanDerWaalsContact C-N 3.29Å; W37-Q39 PolarHBondContact O-N 2.68Å; W37-F40 HydrophobicContact CE3-CB 4.2Å; W37-F40 AromaticContact CE3-CD1 3.83Å; W37-F40 HydrophobicContact CE3-CD1 3.83Å; W37-F40 HydrophobicContact CE3-CE1 4.42Å; W37-F40 HydrophobicContact CE3-CG 4.04Å; W37-F40 AromaticContact CZ3-CD1 3.88Å; W37-F40 HydrophobicContact CZ3-CD1 3.88Å; W37-F40 HydrophobicContact CZ3-CD2 4.4Å; W37-F40 HydrophobicContact CZ3-CE1 4.08Å; W37-F40 HydrophobicContact CZ3-CG 4.07Å; W37-F40 HydrophobicContact CZ3-CZ 4.43Å; W37-F40 WeakPolarHBondContact O-CB 3.35Å; W37-F40 PolarHBondContact O-N 3.29Å; W37-F41 HydrophobicContact CB-CE2 4.08Å; W37-F41 HydrophobicContact CE3-CE2 4.48Å; W37-F41 HydrophobicContact CE3-CZ 4.3Å; W37-F41 WeakPolarHBondContact O-CD2 3.48Å; W37-F41 WeakPolarHBondContact O-CG 3.29Å; W37-F41 PolarHBondContact O-N 2.61Å; W37-A55 HydrophobicContact CB-CB 3.6Å; W37-F58 HydrophobicContact CD2-CB 4.13Å; W37-F58 AromaticContact CD2-CD1 3.95Å; W37-F58 HydrophobicContact CD2-CD1 3.95Å; W37-F58 HydrophobicContact CD2-CG 4.46Å; W37-F58 AromaticContact CE3-CD1 3.63Å; W37-F58 HydrophobicContact CE3-CD1 3.63Å; W37-F58 HydrophobicContact CE3-CE1 4.21Å; W37-F58 HydrophobicContact CE3-CG 4.44Å; W37-F58 HydrophobicContact CG-CB 4.2Å; W37-F58 AromaticContact CH2-CD1 3.86Å; W37-F58 HydrophobicContact CH2-CD1 3.86Å; W37-F58 HydrophobicContact CH2-CE1 4.27Å; W37-F58 HydrophobicContact CZ2-CD1 4.14Å; W37-F58 AromaticContact CZ3-CD1 3.59Å; W37-F58 HydrophobicContact CZ3-CD1 3.59Å; W37-F58 AromaticContact CZ3-CE1 3.87Å; W37-F58 HydrophobicContact CZ3-CE1 3.87Å; W37-I63 HydrophobicContact CH2-CG2 4.28Å; W37-I63 HydrophobicContact CZ2-CG2 4.36Å; W37-I63 VanDerWaalsContact CZ2-O 3.3Å; W37-I63 WeakPolarHBondContact CZ2-O 3.39Å; W37-K65 HydrophobicContact CH2-CG 4.23Å; W37-K65 HydrophobicContact CZ2-CG 4.4Å; W37-L68 HydrophobicContact CH2-CD2 4.01Å; W37-L68 HydrophobicContact CH2-CG 4.49Å; W37-L68 HydrophobicContact CZ3-CD2 4Å |
| 38 | I | 95.6 | Very high | 89.4 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.1 | -44 | 171.8 | -71.2 | 162.6 | 0 | 0 | 0 | 110.8 | T34 F41 K42 V52 A55 | T34-I38 HydrophobicContact CG2-CD1 4.01Å; T34-I38 HydrophobicContact CG2-CG1 4.42Å; T34-I38 VanDerWaalsContact O-CG1 3.27Å; T34-I38 WeakPolarHBondContact O-CG1 3.32Å; T34-I38 PolarHBondContact O-N 3.06Å; I38-F41 PolarHBondContact O-N 3.14Å; I38-K42 VanDerWaalsContact O-CB 3.28Å; I38-K42 WeakPolarHBondContact O-CB 3.27Å; I38-K42 PolarHBondContact O-N 3.47Å; I38-V52 HydrophobicContact CD1-CB 4.48Å; I38-V52 HydrophobicContact CD1-CG2 3.84Å; I38-V52 HydrophobicContact CG1-CG2 4.09Å; I38-A55 HydrophobicContact CB-CB 4.49Å; I38-A55 HydrophobicContact CG1-CB 3.58Å |
| 39 | Q | 95.2 | Very high | 90.8 | Very high | 75 Ų | 75 | 58.1 Ų | 58.1 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 178.8 | -177.5 | 62.3 | 23.9 | 0 | 0 | 111.7 | S35 E36 W37 K42 E43 | S35-Q39 PolarHBondContact O-N 2.82Å; S35-Q39 VanDerWaalsContact O-N 3.12Å; E36-Q39 PolarHBondContact O-N 3.3Å; W37-Q39 VanDerWaalsContact C-N 3.29Å; W37-Q39 PolarHBondContact O-N 2.68Å; Q39-K42 PolarHBondContact O-N 3.04Å; Q39-E43 PolarHBondContact NE2-OE1 2.89Å; Q39-E43 WeakPolarHBondContact O-CB 3.21Å; Q39-E43 WeakPolarHBondContact O-CG 3.37Å; Q39-E43 PolarHBondContact O-N 3.4Å |
| 40 | F | 95.6 | Very high | 92 | Very high | 16 Ų | 16 | 57 Ų | 57 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 171.7 | 171.7 | -89.3 | 0 | 0 | 0 | 112.3 | E36 W37 K42 E43 A44 L68 I90 H93 V97 | E36-F40 PolarHBondContact O-N 3.4Å; W37-F40 HydrophobicContact CE3-CB 4.2Å; W37-F40 AromaticContact CE3-CD1 3.83Å; W37-F40 HydrophobicContact CE3-CD1 3.83Å; W37-F40 HydrophobicContact CE3-CE1 4.42Å; W37-F40 HydrophobicContact CE3-CG 4.04Å; W37-F40 AromaticContact CZ3-CD1 3.88Å; W37-F40 HydrophobicContact CZ3-CD1 3.88Å; W37-F40 HydrophobicContact CZ3-CD2 4.4Å; W37-F40 HydrophobicContact CZ3-CE1 4.08Å; W37-F40 HydrophobicContact CZ3-CG 4.07Å; W37-F40 HydrophobicContact CZ3-CZ 4.43Å; W37-F40 WeakPolarHBondContact O-CB 3.35Å; W37-F40 PolarHBondContact O-N 3.29Å; F40-K42 PolarHBondContact O-N 2.87Å; F40-E43 PolarHBondContact O-N 3.23Å; F40-A44 PolarHBondContact O-N 3.25Å; F40-L68 HydrophobicContact CE1-CD2 4.33Å; F40-L68 HydrophobicContact CE2-CD1 3.71Å; F40-L68 HydrophobicContact CE2-CD2 3.98Å; F40-L68 HydrophobicContact CZ-CD1 4.2Å; F40-L68 HydrophobicContact CZ-CD2 3.61Å; F40-I90 HydrophobicContact CE1-CG2 4.31Å; F40-H93 AromaticContact CD2-CD2 3.44Å; F40-H93 VanDerWaalsContact CD2-CD2 3.44Å; F40-H93 WeakPolarHBondContact CD2-CD2 3.5Å; F40-H93 AromaticContact CD2-NE2 3.69Å; F40-H93 AromaticContact CE2-CD2 3.35Å; F40-H93 WeakPolarHBondContact CE2-CD2 3.49Å; F40-H93 AromaticContact CE2-NE2 3.99Å; F40-H93 AromaticContact CG-CD2 3.93Å; F40-H93 AromaticContact CZ-CD2 3.77Å; F40-H93 PolarHBondContact O-CD2 3.24Å; F40-H93 VanDerWaalsContact O-CD2 3.3Å; F40-H93 PolarHBondContact O-NE2 3.43Å; F40-V97 HydrophobicContact CD2-CG2 4.06Å; F40-V97 HydrophobicContact CE2-CB 4.34Å; F40-V97 HydrophobicContact CE2-CG2 3.86Å |
| 41 | F | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 178.3 | -64.6 | -52.3 | 0 | 0 | 0 | 112.7 | W37 I38 A44 G45 I46 A51 A55 F58 I90 | W37-F41 HydrophobicContact CB-CE2 4.08Å; W37-F41 HydrophobicContact CE3-CE2 4.48Å; W37-F41 HydrophobicContact CE3-CZ 4.3Å; W37-F41 WeakPolarHBondContact O-CD2 3.48Å; W37-F41 WeakPolarHBondContact O-CG 3.29Å; W37-F41 PolarHBondContact O-N 2.61Å; I38-F41 PolarHBondContact O-N 3.14Å; F41-A44 WeakPolarHBondContact O-CB 3.36Å; F41-A44 PolarHBondContact O-N 3.15Å; F41-G45 PolarHBondContact O-N 3.17Å; F41-G45 VanDerWaalsContact O-N 3.16Å; F41-I46 HydrophobicContact CB-CB 4.26Å; F41-I46 HydrophobicContact CB-CD1 4.37Å; F41-I46 HydrophobicContact CD1-CD1 4.06Å; F41-I46 WeakPolarHBondContact O-CB 3.49Å; F41-I46 PolarHBondContact O-N 3.28Å; F41-A51 HydrophobicContact CB-CB 3.72Å; F41-A55 HydrophobicContact CD2-CB 4.17Å; F41-A55 HydrophobicContact CE2-CB 4.07Å; F41-F58 HydrophobicContact CE1-CE1 4.28Å; F41-F58 HydrophobicContact CE1-CE2 4.24Å; F41-F58 HydrophobicContact CE1-CZ 4.03Å; F41-F58 HydrophobicContact CE2-CD2 4.44Å; F41-F58 HydrophobicContact CE2-CG 4.39Å; F41-F58 AromaticContact CZ-CD1 3.86Å; F41-F58 HydrophobicContact CZ-CD1 3.86Å; F41-F58 AromaticContact CZ-CD2 3.71Å; F41-F58 HydrophobicContact CZ-CD2 3.71Å; F41-F58 AromaticContact CZ-CE1 3.85Å; F41-F58 HydrophobicContact CZ-CE1 3.85Å; F41-F58 AromaticContact CZ-CE2 3.7Å; F41-F58 HydrophobicContact CZ-CE2 3.7Å; F41-F58 AromaticContact CZ-CG 3.79Å; F41-F58 HydrophobicContact CZ-CG 3.79Å; F41-F58 AromaticContact CZ-CZ 3.77Å; F41-F58 HydrophobicContact CZ-CZ 3.77Å; F41-I90 HydrophobicContact CD1-CD1 3.88Å; F41-I90 HydrophobicContact CD1-CG1 3.7Å; F41-I90 HydrophobicContact CE1-CD1 3.56Å; F41-I90 HydrophobicContact CE1-CG1 3.63Å; F41-I90 HydrophobicContact CE1-CG2 4.43Å |
| 42 | K | 95.9 | Very high | 93.6 | Very high | 122 Ų | 122 | 53.5 Ų | 53.5 | 53% | 0.53 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 172.8 | 175.3 | -179.8 | 156.6 | -151 | 0 | 112.5 | I38 Q39 F40 G45 | I38-K42 VanDerWaalsContact O-CB 3.28Å; I38-K42 WeakPolarHBondContact O-CB 3.27Å; I38-K42 PolarHBondContact O-N 3.47Å; Q39-K42 PolarHBondContact O-N 3.04Å; F40-K42 PolarHBondContact O-N 2.87Å; K42-G45 PolarHBondContact O-N 3.22Å |
| 43 | E | 95 | Very high | 94.2 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.1 | -25.8 | 173.5 | -73.8 | -178 | -149.5 | 0 | 0 | 113.1 | Q39 F40 G45 | Q39-E43 PolarHBondContact NE2-OE1 2.89Å; Q39-E43 WeakPolarHBondContact O-CB 3.21Å; Q39-E43 WeakPolarHBondContact O-CG 3.37Å; Q39-E43 PolarHBondContact O-N 3.4Å; F40-E43 PolarHBondContact O-N 3.23Å; E43-G45 PolarHBondContact O-N 2.89Å |
| 44 | A | 95.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.1 | -19 | 166 | 0 | 0 | 0 | 0 | 0 | 113.2 | F40 F41 A89 H93 | F40-A44 PolarHBondContact O-N 3.25Å; F41-A44 WeakPolarHBondContact O-CB 3.36Å; F41-A44 PolarHBondContact O-N 3.15Å; A44-A89 HydrophobicContact CB-CB 4.35Å; A44-H93 HydrophobicContact CB-CB 3.48Å; A44-H93 VanDerWaalsContact CB-CB 3.48Å |
| 45 | G | 94.5 | Very high | 95 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 63% | 0.629 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | 9.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | F41 K42 E43 | F41-G45 PolarHBondContact O-N 3.17Å; F41-G45 VanDerWaalsContact O-N 3.16Å; K42-G45 PolarHBondContact O-N 3.22Å; E43-G45 PolarHBondContact O-N 2.89Å |
| 46 | I | 95.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | trans | -74.5 | 137.4 | 177.8 | -62.4 | -178.8 | 0 | 0 | 0 | 109.8 | F41 P50 A51 Y54 D86 A89 I90 | F41-I46 HydrophobicContact CB-CB 4.26Å; F41-I46 HydrophobicContact CB-CD1 4.37Å; F41-I46 HydrophobicContact CD1-CD1 4.06Å; F41-I46 WeakPolarHBondContact O-CB 3.49Å; F41-I46 PolarHBondContact O-N 3.28Å; I46-P50 HydrophobicContact CG2-CB 4.17Å; I46-A51 HydrophobicContact CG2-CB 4.18Å; I46-Y54 HydrophobicContact CD1-CD2 4.28Å; I46-Y54 HydrophobicContact CD1-CE2 4.42Å; I46-Y54 HydrophobicContact CG2-CD2 4.24Å; I46-Y54 HydrophobicContact CG2-CE2 4.12Å; I46-D86 HydrophobicContact CD1-CB 3.68Å; I46-D86 HydrophobicContact CG1-CB 4.14Å; I46-A89 HydrophobicContact CD1-CB 4.47Å; I46-A89 HydrophobicContact CG1-CB 4.11Å; I46-I90 HydrophobicContact CD1-CD1 3.75Å; I46-I90 HydrophobicContact CD1-CG1 3.64Å | ||
| 47 | P | 95.7 | Very high | 95.1 | Very high | 73 Ų | 73 | 48.9 Ų | 48.9 | 47% | 0.474 | 29% | 0.291 | S | S | . | . | trans | -58.7 | 146.8 | 176.5 | -23.5 | 33.9 | 0 | 0 | 0 | 112.7 | G49 P50 A51 | P47-G49 PolarHBondContact O-N 3.37Å; P47-P50 WeakPolarHBondContact O-CD 3.37Å; P47-A51 WeakPolarHBondContact O-CB 3.3Å; P47-A51 PolarHBondContact O-N 3.03Å | ||
| 48 | P | 93 | Very high | 95.1 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 63% | 0.63 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.6 | -14.8 | -172.2 | 25.3 | -35 | 0 | 0 | 0 | 114.8 | V52 | P48-V52 WeakPolarHBondContact O-CG2 3.48Å |
| 49 | G | 93.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69.4 | -69.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P47 A51 V52 | P47-G49 PolarHBondContact O-N 3.37Å; G49-A51 VanDerWaalsContact C-N 3.25Å; G49-A51 PolarHBondContact O-N 3.2Å; G49-V52 PolarHBondContact O-N 3.36Å |
| 50 | P | 94.4 | Very high | 95 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55 | -37.9 | 175.7 | -27.2 | 35.2 | 0 | 0 | 0 | 113.7 | I46 P47 V52 N53 Y54 | I46-P50 HydrophobicContact CG2-CB 4.17Å; P47-P50 WeakPolarHBondContact O-CD 3.37Å; P50-V52 PolarHBondContact O-N 3.4Å; P50-V52 VanDerWaalsContact O-N 3.17Å; P50-N53 PolarHBondContact O-N 3.02Å; P50-Y54 HydrophobicContact CB-CD2 4.2Å; P50-Y54 HydrophobicContact CB-CE2 3.55Å; P50-Y54 WeakPolarHBondContact O-CD2 3.15Å; P50-Y54 PolarHBondContact O-N 3Å |
| 51 | A | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.7 | -34 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F41 I46 P47 G49 A55 | F41-A51 HydrophobicContact CB-CB 3.72Å; I46-A51 HydrophobicContact CG2-CB 4.18Å; P47-A51 WeakPolarHBondContact O-CB 3.3Å; P47-A51 PolarHBondContact O-N 3.03Å; G49-A51 VanDerWaalsContact C-N 3.25Å; G49-A51 PolarHBondContact O-N 3.2Å; A51-A55 WeakPolarHBondContact O-CB 3.17Å; A51-A55 PolarHBondContact O-N 3.1Å |
| 52 | V | 95.3 | Very high | 94.9 | Very high | 69 Ų | 69 | 62.2 Ų | 62.2 | 42% | 0.418 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 176.2 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | I38 P48 G49 P50 A55 V56 | I38-V52 HydrophobicContact CD1-CB 4.48Å; I38-V52 HydrophobicContact CD1-CG2 3.84Å; I38-V52 HydrophobicContact CG1-CG2 4.09Å; P48-V52 WeakPolarHBondContact O-CG2 3.48Å; G49-V52 PolarHBondContact O-N 3.36Å; P50-V52 PolarHBondContact O-N 3.4Å; P50-V52 VanDerWaalsContact O-N 3.17Å; V52-A55 PolarHBondContact O-N 3.15Å; V52-V56 WeakPolarHBondContact O-CG2 3.44Å; V52-V56 PolarHBondContact O-N 3.05Å; V52-V56 VanDerWaalsContact O-N 3.1Å |
| 53 | N | 95.2 | Very high | 94.7 | Very high | 92 Ų | 92 | 57.2 Ų | 57.2 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 178.7 | -168.5 | 61.3 | 0 | 0 | 0 | 111.1 | P50 A55 V56 M57 | P50-N53 PolarHBondContact O-N 3.02Å; N53-A55 VanDerWaalsContact C-N 3.28Å; N53-A55 PolarHBondContact O-N 3.09Å; N53-V56 PolarHBondContact O-N 3.48Å; N53-M57 WeakPolarHBondContact O-CG 3.3Å; N53-M57 PolarHBondContact O-N 3.09Å |
| 54 | Y | 95.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 6% | 0.063 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -35.8 | 176.5 | -55.3 | -31.7 | 0 | 0 | 0 | 112.1 | I46 P50 M57 F58 V81 D86 | I46-Y54 HydrophobicContact CD1-CD2 4.28Å; I46-Y54 HydrophobicContact CD1-CE2 4.42Å; I46-Y54 HydrophobicContact CG2-CD2 4.24Å; I46-Y54 HydrophobicContact CG2-CE2 4.12Å; P50-Y54 HydrophobicContact CB-CD2 4.2Å; P50-Y54 HydrophobicContact CB-CE2 3.55Å; P50-Y54 WeakPolarHBondContact O-CD2 3.15Å; P50-Y54 PolarHBondContact O-N 3Å; Y54-M57 PolarHBondContact O-N 3.14Å; Y54-F58 WeakPolarHBondContact O-CB 3.48Å; Y54-F58 VanDerWaalsContact O-CD2 3.3Å; Y54-F58 WeakPolarHBondContact O-CD2 3.47Å; Y54-F58 PolarHBondContact O-N 3.31Å; Y54-V81 HydrophobicContact CD1-CG2 3.78Å; Y54-V81 HydrophobicContact CE1-CB 4.28Å; Y54-V81 HydrophobicContact CE1-CG1 4.2Å; Y54-V81 HydrophobicContact CE1-CG2 3.97Å; Y54-V81 HydrophobicContact CE2-CG1 4.25Å; Y54-V81 HydrophobicContact CG-CG2 4.2Å; Y54-D86 HydrophobicContact CE2-CB 4.19Å; Y54-D86 PolarHBondContact OH-OD2 3.2Å |
| 55 | A | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.5 | -34.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T34 W37 I38 F41 A51 V52 N53 V59 | T34-A55 HydrophobicContact CG2-CB 3.74Å; W37-A55 HydrophobicContact CB-CB 3.6Å; I38-A55 HydrophobicContact CB-CB 4.49Å; I38-A55 HydrophobicContact CG1-CB 3.58Å; F41-A55 HydrophobicContact CD2-CB 4.17Å; F41-A55 HydrophobicContact CE2-CB 4.07Å; A51-A55 WeakPolarHBondContact O-CB 3.17Å; A51-A55 PolarHBondContact O-N 3.1Å; V52-A55 PolarHBondContact O-N 3.15Å; N53-A55 VanDerWaalsContact C-N 3.28Å; N53-A55 PolarHBondContact O-N 3.09Å; A55-V59 VanDerWaalsContact O-CG2 3.32Å; A55-V59 WeakPolarHBondContact O-CG2 2.98Å; A55-V59 PolarHBondContact O-N 3.27Å |
| 56 | V | 94.4 | Very high | 94.2 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 170.4 | 171.5 | 0 | 0 | 0 | 0 | 109.5 | T34 V52 N53 F58 V59 D60 | T34-V56 HydrophobicContact CG2-CG2 3.98Å; V52-V56 WeakPolarHBondContact O-CG2 3.44Å; V52-V56 PolarHBondContact O-N 3.05Å; V52-V56 VanDerWaalsContact O-N 3.1Å; N53-V56 PolarHBondContact O-N 3.48Å; V56-F58 VanDerWaalsContact C-N 3.33Å; V56-F58 PolarHBondContact O-N 2.99Å; V56-V59 PolarHBondContact O-N 3.16Å; V56-D60 VanDerWaalsContact CG1-OD2 3.29Å; V56-D60 WeakPolarHBondContact CG1-OD2 3.49Å; V56-D60 PolarHBondContact O-N 2.97Å |
| 57 | M | 94.4 | Very high | 94.2 | Very high | 51 Ų | 51 | 66 Ų | 66 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.1 | -34.1 | -178.9 | -64.7 | -172.7 | 73.6 | 0 | 0 | 113.4 | N53 Y54 N61 L79 | N53-M57 WeakPolarHBondContact O-CG 3.3Å; N53-M57 PolarHBondContact O-N 3.09Å; Y54-M57 PolarHBondContact O-N 3.14Å; M57-N61 WeakPolarHBondContact O-CB 3.33Å; M57-N61 PolarHBondContact O-N 2.95Å; M57-N61 VanDerWaalsContact O-N 3.08Å; M57-N61 PolarHBondContact O-ND2 2.99Å; M57-L79 VanDerWaalsContact CE-C 3.44Å; M57-L79 WeakPolarHBondContact CE-O 3.28Å |
| 58 | F | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68 | -37.2 | 172.8 | -91.2 | -127.5 | 0 | 0 | 0 | 112.8 | W37 F41 Y54 V56 R62 I63 L71 M76 L79 I90 | W37-F58 HydrophobicContact CD2-CB 4.13Å; W37-F58 AromaticContact CD2-CD1 3.95Å; W37-F58 HydrophobicContact CD2-CD1 3.95Å; W37-F58 HydrophobicContact CD2-CG 4.46Å; W37-F58 AromaticContact CE3-CD1 3.63Å; W37-F58 HydrophobicContact CE3-CD1 3.63Å; W37-F58 HydrophobicContact CE3-CE1 4.21Å; W37-F58 HydrophobicContact CE3-CG 4.44Å; W37-F58 HydrophobicContact CG-CB 4.2Å; W37-F58 AromaticContact CH2-CD1 3.86Å; W37-F58 HydrophobicContact CH2-CD1 3.86Å; W37-F58 HydrophobicContact CH2-CE1 4.27Å; W37-F58 HydrophobicContact CZ2-CD1 4.14Å; W37-F58 AromaticContact CZ3-CD1 3.59Å; W37-F58 HydrophobicContact CZ3-CD1 3.59Å; W37-F58 AromaticContact CZ3-CE1 3.87Å; W37-F58 HydrophobicContact CZ3-CE1 3.87Å; F41-F58 HydrophobicContact CE1-CE1 4.28Å; F41-F58 HydrophobicContact CE1-CE2 4.24Å; F41-F58 HydrophobicContact CE1-CZ 4.03Å; F41-F58 HydrophobicContact CE2-CD2 4.44Å; F41-F58 HydrophobicContact CE2-CG 4.39Å; F41-F58 AromaticContact CZ-CD1 3.86Å; F41-F58 HydrophobicContact CZ-CD1 3.86Å; F41-F58 AromaticContact CZ-CD2 3.71Å; F41-F58 HydrophobicContact CZ-CD2 3.71Å; F41-F58 AromaticContact CZ-CE1 3.85Å; F41-F58 HydrophobicContact CZ-CE1 3.85Å; F41-F58 AromaticContact CZ-CE2 3.7Å; F41-F58 HydrophobicContact CZ-CE2 3.7Å; F41-F58 AromaticContact CZ-CG 3.79Å; F41-F58 HydrophobicContact CZ-CG 3.79Å; F41-F58 AromaticContact CZ-CZ 3.77Å; F41-F58 HydrophobicContact CZ-CZ 3.77Å; Y54-F58 WeakPolarHBondContact O-CB 3.48Å; Y54-F58 VanDerWaalsContact O-CD2 3.3Å; Y54-F58 WeakPolarHBondContact O-CD2 3.47Å; Y54-F58 PolarHBondContact O-N 3.31Å; V56-F58 VanDerWaalsContact C-N 3.33Å; V56-F58 PolarHBondContact O-N 2.99Å; F58-R62 PolarHBondContact O-N 3.12Å; F58-R62 VanDerWaalsContact O-N 3.15Å; F58-I63 HydrophobicContact CB-CB 4.4Å; F58-I63 HydrophobicContact CD1-CB 3.88Å; F58-I63 HydrophobicContact CD1-CD1 3.97Å; F58-I63 HydrophobicContact CD1-CG2 3.7Å; F58-I63 HydrophobicContact CD2-CD1 4.03Å; F58-I63 HydrophobicContact CE1-CB 4.5Å; F58-I63 HydrophobicContact CE1-CD1 4.18Å; F58-I63 HydrophobicContact CE1-CG2 3.9Å; F58-I63 HydrophobicContact CE2-CD1 4.23Å; F58-I63 HydrophobicContact CG-CB 4.27Å; F58-I63 HydrophobicContact CG-CD1 3.9Å; F58-I63 HydrophobicContact CZ-CD1 4.31Å; F58-I63 PolarHBondContact O-N 3.38Å; F58-L71 HydrophobicContact CE1-CD1 3.9Å; F58-L71 HydrophobicContact CZ-CD1 4.02Å; F58-M76 HydrophobicContact CE2-CE 4.19Å; F58-M76 HydrophobicContact CE2-SD 4.32Å; F58-M76 HydrophobicContact CZ-CE 3.78Å; F58-M76 HydrophobicContact CZ-SD 4Å; F58-L79 HydrophobicContact CD2-CD1 4.18Å; F58-L79 HydrophobicContact CE2-CD1 3.74Å; F58-L79 HydrophobicContact CZ-CD1 4.33Å; F58-I90 HydrophobicContact CZ-CG2 4.35Å |
| 59 | V | 94.8 | Very high | 94.1 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72 | -43.1 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | V30 A33 A55 V56 R62 | V30-V59 HydrophobicContact CG1-CG1 4.27Å; A33-V59 HydrophobicContact CB-CG2 3.96Å; A55-V59 VanDerWaalsContact O-CG2 3.32Å; A55-V59 WeakPolarHBondContact O-CG2 2.98Å; A55-V59 PolarHBondContact O-N 3.27Å; V56-V59 PolarHBondContact O-N 3.16Å; V59-R62 WeakPolarHBondContact O-CA 3.48Å; V59-R62 PolarHBondContact O-N 3.23Å |
| 60 | D | 93.9 | Very high | 94.1 | Very high | 107 Ų | 107 | 64 Ų | 64 | 57% | 0.572 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | -179.4 | -70 | -20.4 | 0 | 0 | 0 | 111.6 | V56 R62 | V56-D60 VanDerWaalsContact CG1-OD2 3.29Å; V56-D60 WeakPolarHBondContact CG1-OD2 3.49Å; V56-D60 PolarHBondContact O-N 2.97Å; D60-R62 PolarHBondContact O-N 3.46Å |
| 61 | N | 94.1 | Very high | 94.1 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 7.4 | 172.3 | -65.4 | -80.6 | 0 | 0 | 0 | 113.5 | M57 I63 L79 | M57-N61 WeakPolarHBondContact O-CB 3.33Å; M57-N61 PolarHBondContact O-N 2.95Å; M57-N61 VanDerWaalsContact O-N 3.08Å; M57-N61 PolarHBondContact O-ND2 2.99Å; N61-I63 VanDerWaalsContact C-N 3.25Å; N61-I63 HydrophobicContact CB-CD1 4.48Å; N61-I63 HydrophobicContact CB-CG1 4.32Å; N61-I63 PolarHBondContact O-N 3.01Å; N61-L79 HydrophobicContact CB-CD2 3.73Å; N61-L79 VanDerWaalsContact ND2-CD2 3.35Å; N61-L79 WeakPolarHBondContact ND2-CD2 3.39Å |
| 62 | R | 94.3 | Very high | 94.1 | Very high | 205 Ų | 205 | 67 Ų | 67 | 77% | 0.774 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 30.6 | 172.6 | -53.6 | -175.1 | 178.3 | -140 | 0.6 | 115.6 | F58 V59 D60 | F58-R62 PolarHBondContact O-N 3.12Å; F58-R62 VanDerWaalsContact O-N 3.15Å; V59-R62 WeakPolarHBondContact O-CA 3.48Å; V59-R62 PolarHBondContact O-N 3.23Å; D60-R62 PolarHBondContact O-N 3.46Å |
| 63 | I | 93.5 | Very high | 94.1 | Very high | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.087 | 35% | 0.345 | C | S | . | . | trans | -64.9 | 141 | 179.4 | -59.4 | 178 | 0 | 0 | 0 | 109.4 | W37 F58 N61 L71 L79 | W37-I63 HydrophobicContact CH2-CG2 4.28Å; W37-I63 HydrophobicContact CZ2-CG2 4.36Å; W37-I63 VanDerWaalsContact CZ2-O 3.3Å; W37-I63 WeakPolarHBondContact CZ2-O 3.39Å; F58-I63 HydrophobicContact CB-CB 4.4Å; F58-I63 HydrophobicContact CD1-CB 3.88Å; F58-I63 HydrophobicContact CD1-CD1 3.97Å; F58-I63 HydrophobicContact CD1-CG2 3.7Å; F58-I63 HydrophobicContact CD2-CD1 4.03Å; F58-I63 HydrophobicContact CE1-CB 4.5Å; F58-I63 HydrophobicContact CE1-CD1 4.18Å; F58-I63 HydrophobicContact CE1-CG2 3.9Å; F58-I63 HydrophobicContact CE2-CD1 4.23Å; F58-I63 HydrophobicContact CG-CB 4.27Å; F58-I63 HydrophobicContact CG-CD1 3.9Å; F58-I63 HydrophobicContact CZ-CD1 4.31Å; F58-I63 PolarHBondContact O-N 3.38Å; N61-I63 VanDerWaalsContact C-N 3.25Å; N61-I63 HydrophobicContact CB-CD1 4.48Å; N61-I63 HydrophobicContact CB-CG1 4.32Å; N61-I63 PolarHBondContact O-N 3.01Å; I63-L71 HydrophobicContact CD1-CD2 4.48Å; I63-L71 HydrophobicContact CG2-CD2 4.25Å; I63-L79 HydrophobicContact CD1-CD1 3.28Å; I63-L79 HydrophobicContact CD1-CD2 3.92Å; I63-L79 HydrophobicContact CD1-CG 4.23Å | ||
| 64 | Q | 92.8 | Very high | 94.1 | Very high | 116 Ų | 116 | 71.6 Ų | 71.6 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | trans | -119.5 | 157.7 | -176.2 | -57.8 | -173.9 | 26.4 | 0 | 0 | 111.1 | S66 M67 | Q64-S66 WeakPolarHBondContact CB-OG 3.36Å; Q64-S66 PolarHBondContact O-N 3.04Å; Q64-M67 HydrophobicContact CB-CG 4.34Å; Q64-M67 HydrophobicContact CB-SD 4.29Å; Q64-M67 HydrophobicContact CG-SD 4.42Å; Q64-M67 PolarHBondContact O-N 3.18Å | ||
| 65 | K | 90.1 | Very high | 94.1 | Very high | 98 Ų | 98 | 73.6 Ų | 73.6 | 43% | 0.426 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -63.5 | -25.3 | 178.2 | -65.4 | 176.1 | -171.9 | 167.1 | 0 | 113.1 | E36 W37 L68 | E36-K65 IonicContact OE2-NZ 2.66Å; E36-K65 PolarHBondContact OE2-NZ 3.31Å; W37-K65 HydrophobicContact CH2-CG 4.23Å; W37-K65 HydrophobicContact CZ2-CG 4.4Å; K65-L68 HydrophobicContact CB-CD1 4.26Å; K65-L68 WeakPolarHBondContact O-CB 3.41Å; K65-L68 WeakPolarHBondContact O-CD1 3.43Å; K65-L68 VanDerWaalsContact O-CG 3.32Å; K65-L68 WeakPolarHBondContact O-CG 3.26Å |
| 66 | S | 91.3 | Very high | 94 | Very high | 80 Ų | 80 | 73.6 Ų | 73.6 | 56% | 0.559 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -61.6 | -44.2 | 170.4 | 41.9 | 0 | 0 | 0 | 0 | 112.5 | Q64 L68 | Q64-S66 WeakPolarHBondContact CB-OG 3.36Å; Q64-S66 PolarHBondContact O-N 3.04Å; S66-L68 PolarHBondContact O-N 3.25Å; S66-L68 VanDerWaalsContact O-N 3.16Å |
| 67 | M | 93.9 | Very high | 94.1 | Very high | 82 Ų | 82 | 74.6 Ų | 74.6 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -75.1 | 0.1 | -174.9 | -57.6 | 171.9 | 71.7 | 0 | 0 | 113.9 | Q64 L69 D70 L71 | Q64-M67 HydrophobicContact CB-CG 4.34Å; Q64-M67 HydrophobicContact CB-SD 4.29Å; Q64-M67 HydrophobicContact CG-SD 4.42Å; Q64-M67 PolarHBondContact O-N 3.18Å; M67-L69 PolarHBondContact O-N 3.07Å; M67-L69 VanDerWaalsContact O-N 3.14Å; M67-D70 WeakPolarHBondContact CA-OD2 3.42Å; M67-D70 PolarHBondContact O-N 3.14Å; M67-L71 PolarHBondContact O-N 3.34Å |
| 68 | L | 93.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 79.1 Ų | 79.1 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -60.3 | -25.4 | -174.1 | -78.6 | 177 | 0 | 0 | 0 | 114 | W37 F40 K65 S66 L71 A94 V97 | W37-L68 HydrophobicContact CH2-CD2 4.01Å; W37-L68 HydrophobicContact CH2-CG 4.49Å; W37-L68 HydrophobicContact CZ3-CD2 4Å; F40-L68 HydrophobicContact CE1-CD2 4.33Å; F40-L68 HydrophobicContact CE2-CD1 3.71Å; F40-L68 HydrophobicContact CE2-CD2 3.98Å; F40-L68 HydrophobicContact CZ-CD1 4.2Å; F40-L68 HydrophobicContact CZ-CD2 3.61Å; K65-L68 HydrophobicContact CB-CD1 4.26Å; K65-L68 WeakPolarHBondContact O-CB 3.41Å; K65-L68 WeakPolarHBondContact O-CD1 3.43Å; K65-L68 VanDerWaalsContact O-CG 3.32Å; K65-L68 WeakPolarHBondContact O-CG 3.26Å; S66-L68 PolarHBondContact O-N 3.25Å; S66-L68 VanDerWaalsContact O-N 3.16Å; L68-L71 HydrophobicContact CD2-CD1 3.76Å; L68-A94 HydrophobicContact CB-CB 3.94Å; L68-A94 HydrophobicContact CD2-CB 4.2Å; L68-A94 WeakPolarHBondContact O-CB 3.44Å; L68-V97 HydrophobicContact CD1-CB 4.35Å; L68-V97 HydrophobicContact CD1-CG1 3.99Å |
| 69 | L | 93.9 | Very high | 94 | Very high | 80 Ų | 80 | 79.5 Ų | 79.5 | 42% | 0.419 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -81.8 | -24.4 | 175.4 | -65.8 | -172.4 | 0 | 0 | 0 | 113.6 | M67 L71 K95 H98 | M67-L69 PolarHBondContact O-N 3.07Å; M67-L69 VanDerWaalsContact O-N 3.14Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-K95 HydrophobicContact CD2-CG 4.11Å; L69-H98 HydrophobicContact CD2-CB 3.95Å; L69-H98 HydrophobicContact CG-CB 4.24Å |
| 70 | D | 93.9 | Very high | 93.8 | Very high | 100 Ų | 100 | 80 Ų | 80 | 54% | 0.535 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16 | -178.4 | -45.4 | -49.8 | 0 | 0 | 0 | 111.7 | M67 N72 | M67-D70 WeakPolarHBondContact CA-OD2 3.42Å; M67-D70 PolarHBondContact O-N 3.14Å; D70-N72 PolarHBondContact O-N 3Å; D70-N72 PolarHBondContact O-ND2 3Å |
| 71 | L | 94.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 74.9 Ų | 74.9 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | trans | -59 | 115.9 | 174.1 | -64.9 | -171.5 | 0 | 0 | 0 | 110.9 | F58 I63 M67 L68 L69 I75 M76 I90 L91 | F58-L71 HydrophobicContact CE1-CD1 3.9Å; F58-L71 HydrophobicContact CZ-CD1 4.02Å; I63-L71 HydrophobicContact CD1-CD2 4.48Å; I63-L71 HydrophobicContact CG2-CD2 4.25Å; M67-L71 PolarHBondContact O-N 3.34Å; L68-L71 HydrophobicContact CD2-CD1 3.76Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L71-I75 HydrophobicContact CD2-CG2 4.09Å; L71-M76 HydrophobicContact CB-CE 4.02Å; L71-M76 HydrophobicContact CD1-CE 3.78Å; L71-M76 HydrophobicContact CD2-CE 3.74Å; L71-M76 HydrophobicContact CG-CE 4.03Å; L71-I90 HydrophobicContact CD1-CG2 4.5Å; L71-L91 HydrophobicContact CB-CD2 3.87Å; L71-L91 WeakPolarHBondContact O-CD2 3.27Å | ||
| 72 | N | 95.8 | Very high | 94 | Very high | 102 Ų | 102 | 75.2 Ų | 75.2 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | trans | -108.6 | 166.7 | 174.2 | -81.9 | -56.5 | 0 | 0 | 0 | 111.5 | D70 E74 I75 M76 | D70-N72 PolarHBondContact O-N 3Å; D70-N72 PolarHBondContact O-ND2 3Å; N72-E74 PolarHBondContact O-N 3.37Å; N72-I75 PolarHBondContact O-N 3.28Å; N72-M76 WeakPolarHBondContact O-CG 3.18Å; N72-M76 PolarHBondContact O-N 2.91Å | ||
| 73 | K | 95.6 | Very high | 94.1 | Very high | 114 Ų | 114 | 68.8 Ų | 68.8 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.1 | -37.4 | 173.9 | -179.6 | -166.4 | 171.2 | -56.7 | 0 | 111.8 | M76 N77 I87 | K73-M76 PolarHBondContact O-N 2.99Å; K73-N77 PolarHBondContact NZ-ND2 3.4Å; K73-N77 PolarHBondContact NZ-OD1 3.46Å; K73-N77 WeakPolarHBondContact O-CB 3.22Å; K73-N77 PolarHBondContact O-N 3.2Å; K73-N77 PolarHBondContact O-OD1 3.36Å; K73-I87 HydrophobicContact CB-CG2 4.47Å; K73-I87 HydrophobicContact CG-CD1 4.36Å; K73-I87 HydrophobicContact CG-CG2 4.25Å |
| 74 | E | 95.3 | Very high | 94.2 | Very high | 142 Ų | 142 | 72.3 Ų | 72.3 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.3 | -52.4 | 179.5 | -170.7 | 154.3 | -128.9 | 0 | 0 | 111.7 | N72 M76 N77 E78 | N72-E74 PolarHBondContact O-N 3.37Å; E74-M76 VanDerWaalsContact C-N 3.27Å; E74-M76 PolarHBondContact O-N 2.91Å; E74-N77 CarbonylContact O-C 3.38Å; E74-N77 WeakPolarHBondContact O-CA 3.26Å; E74-N77 VanDerWaalsContact O-CB 3.26Å; E74-N77 WeakPolarHBondContact O-CB 3.48Å; E74-N77 PolarHBondContact O-N 3.1Å; E74-E78 WeakPolarHBondContact O-CG 3.38Å; E74-E78 PolarHBondContact O-N 3.35Å |
| 75 | I | 94.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 69 Ų | 69 | 30% | 0.303 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.1 | -39.2 | 173.9 | -57.5 | 173.2 | 0 | 0 | 0 | 110.9 | L71 N72 E78 L79 | L71-I75 HydrophobicContact CD2-CG2 4.09Å; N72-I75 PolarHBondContact O-N 3.28Å; I75-E78 PolarHBondContact O-N 2.9Å; I75-L79 HydrophobicContact CG2-CD1 3.9Å; I75-L79 HydrophobicContact CG2-CG 4.43Å; I75-L79 WeakPolarHBondContact O-CB 3.45Å; I75-L79 WeakPolarHBondContact O-CD1 3.43Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.2Å |
| 76 | M | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 174.5 | -66.1 | -59.3 | 96.3 | 0 | 0 | 112.5 | F58 L71 N72 K73 E74 L79 V81 I87 I90 L91 | F58-M76 HydrophobicContact CE2-CE 4.19Å; F58-M76 HydrophobicContact CE2-SD 4.32Å; F58-M76 HydrophobicContact CZ-CE 3.78Å; F58-M76 HydrophobicContact CZ-SD 4Å; L71-M76 HydrophobicContact CB-CE 4.02Å; L71-M76 HydrophobicContact CD1-CE 3.78Å; L71-M76 HydrophobicContact CD2-CE 3.74Å; L71-M76 HydrophobicContact CG-CE 4.03Å; N72-M76 WeakPolarHBondContact O-CG 3.18Å; N72-M76 PolarHBondContact O-N 2.91Å; K73-M76 PolarHBondContact O-N 2.99Å; E74-M76 VanDerWaalsContact C-N 3.27Å; E74-M76 PolarHBondContact O-N 2.91Å; M76-L79 HydrophobicContact CE-CD1 3.56Å; M76-L79 PolarHBondContact O-N 2.66Å; M76-V81 HydrophobicContact CB-CB 4.3Å; M76-V81 WeakPolarHBondContact O-CA 3.46Å; M76-V81 VanDerWaalsContact O-CB 3.26Å; M76-V81 WeakPolarHBondContact O-CB 3.41Å; M76-V81 PolarHBondContact O-N 2.96Å; M76-I87 HydrophobicContact CB-CG1 4.13Å; M76-I87 HydrophobicContact CB-CG2 4.06Å; M76-I87 HydrophobicContact CG-CG2 4.14Å; M76-I90 HydrophobicContact SD-CB 4.39Å; M76-I90 HydrophobicContact SD-CD1 4.22Å; M76-I90 HydrophobicContact SD-CG2 3.73Å; M76-L91 HydrophobicContact CG-CD2 4.2Å; M76-L91 HydrophobicContact CG-CG 4.44Å |
| 77 | N | 95.1 | Very high | 94.9 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 173.9 | -90 | 39.5 | 0 | 0 | 0 | 111.6 | K73 E74 L79 G80 | K73-N77 PolarHBondContact NZ-ND2 3.4Å; K73-N77 PolarHBondContact NZ-OD1 3.46Å; K73-N77 WeakPolarHBondContact O-CB 3.22Å; K73-N77 PolarHBondContact O-N 3.2Å; K73-N77 PolarHBondContact O-OD1 3.36Å; E74-N77 CarbonylContact O-C 3.38Å; E74-N77 WeakPolarHBondContact O-CA 3.26Å; E74-N77 VanDerWaalsContact O-CB 3.26Å; E74-N77 WeakPolarHBondContact O-CB 3.48Å; E74-N77 PolarHBondContact O-N 3.1Å; N77-L79 VanDerWaalsContact C-N 3.34Å; N77-G80 PolarHBondContact O-N 3.44Å |
| 78 | E | 94.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 63 Ų | 63 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 177.8 | -69.9 | 175.8 | 163.8 | 0 | 0 | 112.1 | E74 I75 G80 | E74-E78 WeakPolarHBondContact O-CG 3.38Å; E74-E78 PolarHBondContact O-N 3.35Å; I75-E78 PolarHBondContact O-N 2.9Å; E78-G80 PolarHBondContact O-N 3.3Å; E78-G80 VanDerWaalsContact O-N 3.09Å |
| 79 | L | 93.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 15.4 | 171.7 | -62.5 | 166.2 | 0 | 0 | 0 | 113.6 | M57 F58 N61 I63 I75 M76 N77 V81 | M57-L79 VanDerWaalsContact CE-C 3.44Å; M57-L79 WeakPolarHBondContact CE-O 3.28Å; F58-L79 HydrophobicContact CD2-CD1 4.18Å; F58-L79 HydrophobicContact CE2-CD1 3.74Å; F58-L79 HydrophobicContact CZ-CD1 4.33Å; N61-L79 HydrophobicContact CB-CD2 3.73Å; N61-L79 VanDerWaalsContact ND2-CD2 3.35Å; N61-L79 WeakPolarHBondContact ND2-CD2 3.39Å; I63-L79 HydrophobicContact CD1-CD1 3.28Å; I63-L79 HydrophobicContact CD1-CD2 3.92Å; I63-L79 HydrophobicContact CD1-CG 4.23Å; I75-L79 HydrophobicContact CG2-CD1 3.9Å; I75-L79 HydrophobicContact CG2-CG 4.43Å; I75-L79 WeakPolarHBondContact O-CB 3.45Å; I75-L79 WeakPolarHBondContact O-CD1 3.43Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.2Å; M76-L79 HydrophobicContact CE-CD1 3.56Å; M76-L79 PolarHBondContact O-N 2.66Å; N77-L79 VanDerWaalsContact C-N 3.34Å; L79-V81 HydrophobicContact CB-CG2 4.42Å; L79-V81 PolarHBondContact O-N 2.72Å; L79-V81 VanDerWaalsContact O-N 3.15Å |
| 80 | G | 91.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 60 Ų | 60 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 9.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N77 E78 T82 | N77-G80 PolarHBondContact O-N 3.44Å; E78-G80 PolarHBondContact O-N 3.3Å; E78-G80 VanDerWaalsContact O-N 3.09Å; G80-T82 VanDerWaalsContact C-N 3.26Å; G80-T82 PolarHBondContact O-N 2.88Å |
| 81 | V | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -79.7 | 77.4 | 174.7 | -167.8 | 0 | 0 | 0 | 0 | 108.7 | Y54 M76 L79 D86 I87 I90 | Y54-V81 HydrophobicContact CD1-CG2 3.78Å; Y54-V81 HydrophobicContact CE1-CB 4.28Å; Y54-V81 HydrophobicContact CE1-CG1 4.2Å; Y54-V81 HydrophobicContact CE1-CG2 3.97Å; Y54-V81 HydrophobicContact CE2-CG1 4.25Å; Y54-V81 HydrophobicContact CG-CG2 4.2Å; M76-V81 HydrophobicContact CB-CB 4.3Å; M76-V81 WeakPolarHBondContact O-CA 3.46Å; M76-V81 VanDerWaalsContact O-CB 3.26Å; M76-V81 WeakPolarHBondContact O-CB 3.41Å; M76-V81 PolarHBondContact O-N 2.96Å; L79-V81 HydrophobicContact CB-CG2 4.42Å; L79-V81 PolarHBondContact O-N 2.72Å; L79-V81 VanDerWaalsContact O-N 3.15Å; V81-D86 HydrophobicContact CG1-CB 4.05Å; V81-I87 HydrophobicContact CB-CG1 4.41Å; V81-I87 HydrophobicContact CG1-CG1 3.96Å; V81-I87 WeakPolarHBondContact O-CD1 3.35Å; V81-I87 WeakPolarHBondContact O-CG1 3.44Å; V81-I90 HydrophobicContact CG1-CD1 4.07Å; V81-I90 HydrophobicContact CG2-CD1 4.44Å | ||
| 82 | T | 95.3 | Very high | 95.6 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 64% | 0.644 | 35% | 0.348 | S | S | * | . | trans | -80.3 | -18.4 | -176.8 | 55.7 | 0 | 0 | 0 | 0 | 114 | G80 V84 | G80-T82 VanDerWaalsContact C-N 3.26Å; G80-T82 PolarHBondContact O-N 2.88Å; T82-V84 PolarHBondContact O-N 3.47Å | ||
| 83 | V | 96.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 59.8 Ų | 59.8 | 42% | 0.418 | 33% | 0.326 | S | S | . | . | trans | -76.7 | 107.3 | -177.8 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | G85 D86 I87 | V83-G85 PolarHBondContact O-N 3.27Å; V83-G85 VanDerWaalsContact O-N 3.11Å; V83-D86 HydrophobicContact CB-CB 4.07Å; V83-D86 HydrophobicContact CG1-CB 4.21Å; V83-D86 WeakPolarHBondContact O-CA 3.42Å; V83-D86 WeakPolarHBondContact O-CB 3.39Å; V83-D86 PolarHBondContact O-N 2.88Å; V83-I87 WeakPolarHBondContact O-CG1 3.49Å; V83-I87 PolarHBondContact O-N 3.16Å | ||
| 84 | V | 95.9 | Very high | 95.5 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 56% | 0.558 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.6 | -34 | -175.4 | -178.8 | 0 | 0 | 0 | 0 | 113.1 | T82 I88 | T82-V84 PolarHBondContact O-N 3.47Å; V84-I88 HydrophobicContact CG1-CD1 3.94Å; V84-I88 VanDerWaalsContact O-CG1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.19Å |
| 85 | G | 96.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 49% | 0.485 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V83 I88 A89 | V83-G85 PolarHBondContact O-N 3.27Å; V83-G85 VanDerWaalsContact O-N 3.11Å; G85-I88 PolarHBondContact O-N 2.81Å; G85-A89 WeakPolarHBondContact O-CB 3.43Å; G85-A89 PolarHBondContact O-N 3.16Å |
| 86 | D | 96.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.1 | -38.9 | 179.9 | -66.5 | -13.5 | 0 | 0 | 0 | 111.1 | I46 Y54 V81 V83 I88 A89 I90 | I46-D86 HydrophobicContact CD1-CB 3.68Å; I46-D86 HydrophobicContact CG1-CB 4.14Å; Y54-D86 HydrophobicContact CE2-CB 4.19Å; Y54-D86 PolarHBondContact OH-OD2 3.2Å; V81-D86 HydrophobicContact CG1-CB 4.05Å; V83-D86 HydrophobicContact CB-CB 4.07Å; V83-D86 HydrophobicContact CG1-CB 4.21Å; V83-D86 WeakPolarHBondContact O-CA 3.42Å; V83-D86 WeakPolarHBondContact O-CB 3.39Å; V83-D86 PolarHBondContact O-N 2.88Å; D86-I88 VanDerWaalsContact C-N 3.33Å; D86-I88 PolarHBondContact O-N 3.35Å; D86-A89 PolarHBondContact O-N 3.28Å; D86-I90 WeakPolarHBondContact O-CB 3.26Å; D86-I90 VanDerWaalsContact O-CG1 3.27Å; D86-I90 WeakPolarHBondContact O-CG1 3.32Å; D86-I90 PolarHBondContact O-N 3.41Å |
| 87 | I | 96.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.2 | -51.2 | 169.5 | -58.8 | 175.3 | 0 | 0 | 0 | 109.9 | K73 M76 V81 V83 A89 I90 L91 | K73-I87 HydrophobicContact CB-CG2 4.47Å; K73-I87 HydrophobicContact CG-CD1 4.36Å; K73-I87 HydrophobicContact CG-CG2 4.25Å; M76-I87 HydrophobicContact CB-CG1 4.13Å; M76-I87 HydrophobicContact CB-CG2 4.06Å; M76-I87 HydrophobicContact CG-CG2 4.14Å; V81-I87 HydrophobicContact CB-CG1 4.41Å; V81-I87 HydrophobicContact CG1-CG1 3.96Å; V81-I87 WeakPolarHBondContact O-CD1 3.35Å; V81-I87 WeakPolarHBondContact O-CG1 3.44Å; V83-I87 WeakPolarHBondContact O-CG1 3.49Å; V83-I87 PolarHBondContact O-N 3.16Å; I87-A89 VanDerWaalsContact C-N 3.35Å; I87-A89 PolarHBondContact O-N 2.92Å; I87-I90 PolarHBondContact O-N 3.16Å; I87-L91 HydrophobicContact CG2-CD1 3.78Å; I87-L91 HydrophobicContact CG2-CG 4.31Å; I87-L91 WeakPolarHBondContact O-CB 3.32Å; I87-L91 VanDerWaalsContact O-CG 3.27Å; I87-L91 WeakPolarHBondContact O-CG 3.07Å; I87-L91 PolarHBondContact O-N 3.42Å |
| 88 | I | 96.3 | Very high | 95 | Very high | 106 Ų | 106 | 56 Ų | 56 | 54% | 0.544 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | -179.5 | -68.3 | 166.4 | 0 | 0 | 0 | 111 | V84 G85 D86 K92 | V84-I88 HydrophobicContact CG1-CD1 3.94Å; V84-I88 VanDerWaalsContact O-CG1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.19Å; G85-I88 PolarHBondContact O-N 2.81Å; D86-I88 VanDerWaalsContact C-N 3.33Å; D86-I88 PolarHBondContact O-N 3.35Å; I88-K92 WeakPolarHBondContact O-CB 3.49Å; I88-K92 PolarHBondContact O-N 2.98Å |
| 89 | A | 97.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A44 I46 G85 D86 I87 K92 H93 | A44-A89 HydrophobicContact CB-CB 4.35Å; I46-A89 HydrophobicContact CD1-CB 4.47Å; I46-A89 HydrophobicContact CG1-CB 4.11Å; G85-A89 WeakPolarHBondContact O-CB 3.43Å; G85-A89 PolarHBondContact O-N 3.16Å; D86-A89 PolarHBondContact O-N 3.28Å; I87-A89 VanDerWaalsContact C-N 3.35Å; I87-A89 PolarHBondContact O-N 2.92Å; A89-K92 PolarHBondContact O-N 3.27Å; A89-H93 VanDerWaalsContact O-CB 3.26Å; A89-H93 WeakPolarHBondContact O-CB 3.49Å; A89-H93 PolarHBondContact O-N 3Å |
| 90 | I | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -53.6 | 178.5 | -68.8 | 164.2 | 0 | 0 | 0 | 110.9 | F40 F41 I46 F58 L71 M76 V81 D86 I87 K92 H93 A94 | F40-I90 HydrophobicContact CE1-CG2 4.31Å; F41-I90 HydrophobicContact CD1-CD1 3.88Å; F41-I90 HydrophobicContact CD1-CG1 3.7Å; F41-I90 HydrophobicContact CE1-CD1 3.56Å; F41-I90 HydrophobicContact CE1-CG1 3.63Å; F41-I90 HydrophobicContact CE1-CG2 4.43Å; I46-I90 HydrophobicContact CD1-CD1 3.75Å; I46-I90 HydrophobicContact CD1-CG1 3.64Å; F58-I90 HydrophobicContact CZ-CG2 4.35Å; L71-I90 HydrophobicContact CD1-CG2 4.5Å; M76-I90 HydrophobicContact SD-CB 4.39Å; M76-I90 HydrophobicContact SD-CD1 4.22Å; M76-I90 HydrophobicContact SD-CG2 3.73Å; V81-I90 HydrophobicContact CG1-CD1 4.07Å; V81-I90 HydrophobicContact CG2-CD1 4.44Å; D86-I90 WeakPolarHBondContact O-CB 3.26Å; D86-I90 VanDerWaalsContact O-CG1 3.27Å; D86-I90 WeakPolarHBondContact O-CG1 3.32Å; D86-I90 PolarHBondContact O-N 3.41Å; I87-I90 PolarHBondContact O-N 3.16Å; I90-K92 PolarHBondContact O-N 3.38Å; I90-H93 PolarHBondContact O-N 2.89Å; I90-H93 VanDerWaalsContact O-N 3.16Å; I90-A94 VanDerWaalsContact O-CB 3.26Å; I90-A94 WeakPolarHBondContact O-CB 3.27Å; I90-A94 PolarHBondContact O-N 3.47Å |
| 91 | L | 96.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 62.5 Ų | 62.5 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -27.2 | -177.1 | -63.6 | -177.9 | 0 | 0 | 0 | 112.8 | L71 M76 I87 | L71-L91 HydrophobicContact CB-CD2 3.87Å; L71-L91 WeakPolarHBondContact O-CD2 3.27Å; M76-L91 HydrophobicContact CG-CD2 4.2Å; M76-L91 HydrophobicContact CG-CG 4.44Å; I87-L91 HydrophobicContact CG2-CD1 3.78Å; I87-L91 HydrophobicContact CG2-CG 4.31Å; I87-L91 WeakPolarHBondContact O-CB 3.32Å; I87-L91 VanDerWaalsContact O-CG 3.27Å; I87-L91 WeakPolarHBondContact O-CG 3.07Å; I87-L91 PolarHBondContact O-N 3.42Å |
| 92 | K | 96.6 | Very high | 93.6 | Very high | 149 Ų | 149 | 68.2 Ų | 68.2 | 65% | 0.648 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -75 | -46.9 | 171.2 | -177.3 | -177.5 | 177.9 | -173.8 | 0 | 111.5 | I88 A89 I90 K95 V96 | I88-K92 WeakPolarHBondContact O-CB 3.49Å; I88-K92 PolarHBondContact O-N 2.98Å; A89-K92 PolarHBondContact O-N 3.27Å; I90-K92 PolarHBondContact O-N 3.38Å; K92-K95 PolarHBondContact O-N 2.9Å; K92-V96 WeakPolarHBondContact O-CG2 3.45Å; K92-V96 PolarHBondContact O-N 3.38Å |
| 93 | H | 95.7 | Very high | 92.7 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 9% | 0.093 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69 | -36.4 | -178 | -171.6 | 62.7 | 0 | 0 | 0 | 112 | F40 A44 A89 I90 K95 V96 V97 | F40-H93 AromaticContact CD2-CD2 3.44Å; F40-H93 VanDerWaalsContact CD2-CD2 3.44Å; F40-H93 WeakPolarHBondContact CD2-CD2 3.5Å; F40-H93 AromaticContact CD2-NE2 3.69Å; F40-H93 AromaticContact CE2-CD2 3.35Å; F40-H93 WeakPolarHBondContact CE2-CD2 3.49Å; F40-H93 AromaticContact CE2-NE2 3.99Å; F40-H93 AromaticContact CG-CD2 3.93Å; F40-H93 AromaticContact CZ-CD2 3.77Å; F40-H93 PolarHBondContact O-CD2 3.24Å; F40-H93 VanDerWaalsContact O-CD2 3.3Å; F40-H93 PolarHBondContact O-NE2 3.43Å; A44-H93 HydrophobicContact CB-CB 3.48Å; A44-H93 VanDerWaalsContact CB-CB 3.48Å; A89-H93 VanDerWaalsContact O-CB 3.26Å; A89-H93 WeakPolarHBondContact O-CB 3.49Å; A89-H93 PolarHBondContact O-N 3Å; I90-H93 PolarHBondContact O-N 2.89Å; I90-H93 VanDerWaalsContact O-N 3.16Å; H93-K95 VanDerWaalsContact C-N 3.32Å; H93-K95 PolarHBondContact O-N 3.11Å; H93-V96 CarbonylContact O-C 3.59Å; H93-V96 WeakPolarHBondContact O-CA 3.49Å; H93-V96 WeakPolarHBondContact O-CB 3.26Å; H93-V96 PolarHBondContact O-N 3.17Å; H93-V97 WeakPolarHBondContact NE2-CG2 3.46Å; H93-V97 WeakPolarHBondContact O-CG2 3.48Å; H93-V97 PolarHBondContact O-N 3.33Å |
| 94 | A | 95.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -49.1 | -49.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | L68 I90 V96 V97 H98 | L68-A94 HydrophobicContact CB-CB 3.94Å; L68-A94 HydrophobicContact CD2-CB 4.2Å; L68-A94 WeakPolarHBondContact O-CB 3.44Å; I90-A94 VanDerWaalsContact O-CB 3.26Å; I90-A94 WeakPolarHBondContact O-CB 3.27Å; I90-A94 PolarHBondContact O-N 3.47Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 3.2Å; A94-V97 PolarHBondContact O-N 3.24Å; A94-H98 PolarHBondContact O-N 3.5Å |
| 95 | K | 94.4 | Very high | 90.7 | Very high | 143 Ų | 143 | 66.8 Ų | 66.8 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.4 | -32.6 | 177.1 | -66.8 | 174.9 | -177.5 | -179.3 | 0 | 112.5 | L69 K92 H93 R99 | L69-K95 HydrophobicContact CD2-CG 4.11Å; K92-K95 PolarHBondContact O-N 2.9Å; H93-K95 VanDerWaalsContact C-N 3.32Å; H93-K95 PolarHBondContact O-N 3.11Å; K95-R99 WeakPolarHBondContact O-CB 3.49Å; K95-R99 PolarHBondContact O-N 3.43Å |
| 96 | V | 93.9 | Very high | 89 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.2 | -46.2 | 173.6 | 173.9 | 0 | 0 | 0 | 0 | 111 | K92 H93 A94 R99 Q100 | K92-V96 WeakPolarHBondContact O-CG2 3.45Å; K92-V96 PolarHBondContact O-N 3.38Å; H93-V96 CarbonylContact O-C 3.59Å; H93-V96 WeakPolarHBondContact O-CA 3.49Å; H93-V96 WeakPolarHBondContact O-CB 3.26Å; H93-V96 PolarHBondContact O-N 3.17Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 3.2Å; V96-R99 PolarHBondContact O-N 3.25Å; V96-Q100 VanDerWaalsContact O-CB 3.3Å; V96-Q100 WeakPolarHBondContact O-CB 3.35Å; V96-Q100 PolarHBondContact O-N 2.86Å |
| 97 | V | 92.2 | Very high | 87.2 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 179.1 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | F40 L68 H93 A94 R99 Q100 D101 | F40-V97 HydrophobicContact CD2-CG2 4.06Å; F40-V97 HydrophobicContact CE2-CB 4.34Å; F40-V97 HydrophobicContact CE2-CG2 3.86Å; L68-V97 HydrophobicContact CD1-CB 4.35Å; L68-V97 HydrophobicContact CD1-CG1 3.99Å; H93-V97 WeakPolarHBondContact NE2-CG2 3.46Å; H93-V97 WeakPolarHBondContact O-CG2 3.48Å; H93-V97 PolarHBondContact O-N 3.33Å; A94-V97 PolarHBondContact O-N 3.24Å; V97-R99 PolarHBondContact O-N 3.03Å; V97-Q100 CarbonylContact O-C 3.53Å; V97-Q100 WeakPolarHBondContact O-CA 3.42Å; V97-Q100 WeakPolarHBondContact O-CB 3.47Å; V97-Q100 PolarHBondContact O-N 3.12Å; V97-D101 WeakPolarHBondContact O-CB 3.41Å; V97-D101 PolarHBondContact O-N 3.22Å |
| 98 | H | 88.4 | Confident | 84.9 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 35% | 0.347 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.4 | -48.1 | 174.8 | -177.1 | 90.5 | 0 | 0 | 0 | 111.8 | L69 A94 Q100 D101 M102 | L69-H98 HydrophobicContact CD2-CB 3.95Å; L69-H98 HydrophobicContact CG-CB 4.24Å; A94-H98 PolarHBondContact O-N 3.5Å; H98-Q100 VanDerWaalsContact C-N 3.31Å; H98-Q100 PolarHBondContact O-N 3.15Å; H98-D101 PolarHBondContact O-N 3.4Å; H98-M102 WeakPolarHBondContact O-CG 3.3Å; H98-M102 PolarHBondContact O-N 2.81Å |
| 99 | R | 89.8 | Confident | 82.4 | Confident | 182 Ų | 182 | 77.6 Ų | 77.6 | 69% | 0.687 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.4 | -37.8 | 174.9 | -176.9 | 175.8 | -178.8 | -97.7 | 0.5 | 112.3 | K95 V96 V97 C103 | K95-R99 WeakPolarHBondContact O-CB 3.49Å; K95-R99 PolarHBondContact O-N 3.43Å; V96-R99 PolarHBondContact O-N 3.25Å; V97-R99 PolarHBondContact O-N 3.03Å; R99-C103 PolarHBondContact O-N 2.84Å; R99-C103 VanDerWaalsContact O-N 3.12Å; R99-C103 PolarHBondContact O-SG 3.41Å; R99-C103 VanDerWaalsContact O-SG 3.34Å |
| 100 | Q | 89.3 | Confident | 79.9 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 42% | 0.416 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 177.5 | -159.7 | -163.5 | 41 | 0 | 0 | 110.7 | V96 V97 H98 C103 K104 | V96-Q100 VanDerWaalsContact O-CB 3.3Å; V96-Q100 WeakPolarHBondContact O-CB 3.35Å; V96-Q100 PolarHBondContact O-N 2.86Å; V97-Q100 CarbonylContact O-C 3.53Å; V97-Q100 WeakPolarHBondContact O-CA 3.42Å; V97-Q100 WeakPolarHBondContact O-CB 3.47Å; V97-Q100 PolarHBondContact O-N 3.12Å; H98-Q100 VanDerWaalsContact C-N 3.31Å; H98-Q100 PolarHBondContact O-N 3.15Å; Q100-C103 CarbonylContact O-C 3.54Å; Q100-C103 WeakPolarHBondContact O-CA 3.47Å; Q100-C103 WeakPolarHBondContact O-CB 3.44Å; Q100-C103 PolarHBondContact O-N 3.34Å; Q100-K104 VanDerWaalsContact CD-CE 3.48Å; Q100-K104 WeakPolarHBondContact O-CG 3.37Å; Q100-K104 PolarHBondContact O-N 3.16Å |
| 101 | D | 85.9 | Confident | 77.1 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.4 | -36.3 | -178.8 | -70.1 | -10.4 | 0 | 0 | 0 | 111.8 | V97 H98 C103 K104 A105 | V97-D101 WeakPolarHBondContact O-CB 3.41Å; V97-D101 PolarHBondContact O-N 3.22Å; H98-D101 PolarHBondContact O-N 3.4Å; D101-C103 VanDerWaalsContact C-N 3.31Å; D101-C103 PolarHBondContact O-N 2.86Å; D101-K104 PolarHBondContact O-N 2.76Å; D101-K104 VanDerWaalsContact O-N 3.16Å; D101-K104 WeakPolarHBondContact OD1-CD 3.41Å; D101-K104 WeakPolarHBondContact OD1-CE 3.43Å; D101-K104 IonicContact OD1-NZ 2.61Å; D101-K104 PolarHBondContact OD1-NZ 3.44Å; D101-A105 WeakPolarHBondContact O-CB 3.43Å; D101-A105 PolarHBondContact O-N 3.17Å |
| 102 | M | 80.1 | Confident | 74 | Confident | 119 Ų | 119 | 89.8 Ų | 89.8 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.7 | -43.6 | 165.5 | -67 | -179.8 | 88.3 | 0 | 0 | 111.6 | H98 A106 | H98-M102 WeakPolarHBondContact O-CG 3.3Å; H98-M102 PolarHBondContact O-N 2.81Å; M102-A106 WeakPolarHBondContact O-CB 3.26Å; M102-A106 PolarHBondContact O-N 2.96Å; M102-A106 VanDerWaalsContact O-N 3.15Å |
| 103 | C | 76.1 | Confident | 71.1 | Confident | 74 Ų | 74 | 89.7 Ų | 89.7 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.4 | -27.8 | 175.3 | -69.1 | 0 | 0 | 0 | 0 | 113.5 | R99 Q100 D101 T107 | R99-C103 PolarHBondContact O-N 2.84Å; R99-C103 VanDerWaalsContact O-N 3.12Å; R99-C103 PolarHBondContact O-SG 3.41Å; R99-C103 VanDerWaalsContact O-SG 3.34Å; Q100-C103 CarbonylContact O-C 3.54Å; Q100-C103 WeakPolarHBondContact O-CA 3.47Å; Q100-C103 WeakPolarHBondContact O-CB 3.44Å; Q100-C103 PolarHBondContact O-N 3.34Å; D101-C103 VanDerWaalsContact C-N 3.31Å; D101-C103 PolarHBondContact O-N 2.86Å; C103-T107 WeakPolarHBondContact O-CB 3.41Å; C103-T107 VanDerWaalsContact O-CG2 3.26Å; C103-T107 WeakPolarHBondContact O-CG2 3.09Å; C103-T107 PolarHBondContact O-N 3.27Å |
| 104 | K | 78.5 | Confident | 69.1 | Low | 93 Ų | 93 | 94.5 Ų | 94.5 | 40% | 0.404 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.2 | -54.3 | 173.2 | -74 | 172.1 | -160.8 | 153.8 | 0 | 110.6 | Q100 D101 A106 T107 E108 | Q100-K104 VanDerWaalsContact CD-CE 3.48Å; Q100-K104 WeakPolarHBondContact O-CG 3.37Å; Q100-K104 PolarHBondContact O-N 3.16Å; D101-K104 PolarHBondContact O-N 2.76Å; D101-K104 VanDerWaalsContact O-N 3.16Å; D101-K104 WeakPolarHBondContact OD1-CD 3.41Å; D101-K104 WeakPolarHBondContact OD1-CE 3.43Å; D101-K104 IonicContact OD1-NZ 2.61Å; D101-K104 PolarHBondContact OD1-NZ 3.44Å; K104-A106 PolarHBondContact O-N 2.77Å; K104-T107 CarbonylContact O-C 3.44Å; K104-T107 WeakPolarHBondContact O-CA 3.5Å; K104-T107 WeakPolarHBondContact O-CG2 3.27Å; K104-T107 PolarHBondContact O-N 3.05Å; K104-E108 WeakPolarHBondContact O-CB 3.35Å; K104-E108 PolarHBondContact O-N 3.41Å |
| 105 | A | 71.5 | Confident | 66.2 | Low | 70 Ų | 70 | 99.5 Ų | 99.5 | 58% | 0.579 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.2 | -37.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | D101 T107 | D101-A105 WeakPolarHBondContact O-CB 3.43Å; D101-A105 PolarHBondContact O-N 3.17Å; A105-T107 VanDerWaalsContact C-N 3.29Å; A105-T107 PolarHBondContact O-N 3.12Å |
| 106 | A | 62 | Low | 64.3 | Low | 84 Ų | 84 | 98.9 Ų | 98.9 | 69% | 0.694 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -13.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M102 K104 | M102-A106 WeakPolarHBondContact O-CB 3.26Å; M102-A106 PolarHBondContact O-N 2.96Å; M102-A106 VanDerWaalsContact O-N 3.15Å; K104-A106 PolarHBondContact O-N 2.77Å |
| 107 | T | 58.4 | Low | 61.8 | Low | 58 Ų | 58 | 102.7 Ų | 102.7 | 36% | 0.356 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.9 | 0.7 | 178.7 | -159.6 | 0 | 0 | 0 | 0 | 114.1 | C103 K104 A105 S109 V110 | C103-T107 WeakPolarHBondContact O-CB 3.41Å; C103-T107 VanDerWaalsContact O-CG2 3.26Å; C103-T107 WeakPolarHBondContact O-CG2 3.09Å; C103-T107 PolarHBondContact O-N 3.27Å; K104-T107 CarbonylContact O-C 3.44Å; K104-T107 WeakPolarHBondContact O-CA 3.5Å; K104-T107 WeakPolarHBondContact O-CG2 3.27Å; K104-T107 PolarHBondContact O-N 3.05Å; A105-T107 VanDerWaalsContact C-N 3.29Å; A105-T107 PolarHBondContact O-N 3.12Å; T107-S109 PolarHBondContact O-N 3.34Å; T107-S109 VanDerWaalsContact O-N 3.12Å; T107-V110 PolarHBondContact O-N 3.38Å |
| 108 | E | 49.5 | Very low | 59.5 | Low | 155 Ų | 155 | 111.8 Ų | 111.8 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -14.2 | -175.2 | -165.1 | 164.9 | 166.8 | 0 | 0 | 113.1 | K104 V110 | K104-E108 WeakPolarHBondContact O-CB 3.35Å; K104-E108 PolarHBondContact O-N 3.41Å; E108-V110 PolarHBondContact O-N 2.79Å |
| 109 | S | 43.7 | Very low | 57.3 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 76% | 0.762 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -7.3 | 164.2 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | T107 | T107-S109 PolarHBondContact O-N 3.34Å; T107-S109 VanDerWaalsContact O-N 3.12Å |
| 110 | V | 44.5 | Very low | 55.3 | Low | 78 Ų | 78 | 110.8 Ų | 110.8 | 47% | 0.473 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -138.6 | 108.1 | 176.8 | -175.2 | 0 | 0 | 0 | 0 | 111 | T107 E108 C112 | T107-V110 PolarHBondContact O-N 3.38Å; E108-V110 PolarHBondContact O-N 2.79Å; V110-C112 PolarHBondContact O-N 3.36Å |
| 111 | P | 36.5 | Very low | 53.4 | Low | 129 Ų | 129 | 111.4 Ų | 111.4 | 84% | 0.838 | 66% | 0.66 | S | S | * | * | trans | -70.2 | 128.5 | 179.5 | 28.4 | -34.3 | 0 | 0 | 0 | 111.8 | ||||
| 112 | C | 32.8 | Very low | 51.7 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | -149.9 | 136.1 | 165.2 | -164.3 | 0 | 0 | 0 | 0 | 111 | V110 | V110-C112 PolarHBondContact O-N 3.36Š| ||
| 113 | N | 35.8 | Very low | 50.3 | Low | 147 Ų | 147 | 121.7 Ų | 121.7 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | -95.6 | 129.5 | -167.9 | -171.6 | 1.2 | 0 | 0 | 0 | 111.2 | S115 | N113-S115 PolarHBondContact O-N 3.42Š| ||
| 114 | P | 52.7 | Low | 49.1 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | -81.8 | 111.2 | -177.3 | 31 | -34.7 | 0 | 0 | 0 | 113.4 | ||||
| 115 | S | 34.1 | Very low | 47.8 | Very low | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | trans | -104.3 | 125.6 | 159.3 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | N113 L117 | N113-S115 PolarHBondContact O-N 3.42Å; S115-L117 PolarHBondContact O-N 3.22Å; S115-L117 VanDerWaalsContact O-N 3.12Å | ||
| 116 | P | 54.9 | Low | 47.3 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 84% | 0.844 | 69% | 0.688 | S | S | * | * | trans | -91.5 | 58.5 | -167.2 | 36.4 | -37.7 | 0 | 0 | 0 | 113.9 | ||||
| 117 | L | 40.6 | Very low | 47.8 | Very low | 159 Ų | 159 | 118.4 Ų | 118.4 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -141.6 | 128.7 | 164 | -75.9 | -179.2 | 0 | 0 | 0 | 111.6 | S115 | S115-L117 PolarHBondContact O-N 3.22Å; S115-L117 VanDerWaalsContact O-N 3.12Å |
| 118 | Q | 45.3 | Very low | 48.5 | Very low | 204 Ų | 204 | 119 Ų | 119 | 95% | 0.953 | 69% | 0.686 | S | S | * | * | trans | 17.8 | 100.7 | 169.6 | -63 | -169.4 | -5.9 | 0 | 0 | 117.7 | ||||
| 119 | G | 42.3 | Very low | 49.7 | Very low | 57 Ų | 57 | 114.1 Ų | 114.1 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -151.1 | 28.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 120 | E | 46.6 | Very low | 51.4 | Low | 180 Ų | 180 | 110.7 Ų | 110.7 | 84% | 0.841 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 149.2 | 175.9 | -167 | 163.1 | -167.9 | 0 | 0 | 111.5 | R122 | E120-R122 PolarHBondContact O-N 2.93Š|
| 121 | L | 49 | Very low | 53.3 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 65 | 30.6 | 174.5 | -116.2 | 164.4 | 0 | 0 | 0 | 116.7 | ||
| 122 | R | 50.4 | Low | 55.5 | Low | 191 Ų | 191 | 114.3 Ų | 114.3 | 72% | 0.721 | 64% | 0.644 | S | S | * | * | trans | -100.1 | 34.5 | 168.2 | -67.7 | -55.9 | 89.7 | 90.8 | 12.6 | 115.5 | E120 | E120-R122 PolarHBondContact O-N 2.93Š| ||
| 123 | R | 51.5 | Low | 57.9 | Low | 200 Ų | 200 | 113.6 Ų | 113.6 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -131.8 | 26.9 | 171 | -139.3 | -174.1 | -65 | -136.3 | 6.9 | 115.4 | ||
| 124 | G | 50.3 | Low | 60 | Low | 21 Ų | 21 | 108.5 Ų | 108.5 | 22% | 0.216 | 61% | 0.61 | C | S | . | * | trans | -147.4 | 8.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S126 S127 S130 | G124-S126 PolarHBondContact O-N 2.78Å; G124-S127 PolarHBondContact O-N 3Å; G124-S130 VanDerWaalsContact O-CB 3.27Å; G124-S130 WeakPolarHBondContact O-CB 3.27Å; G124-S130 PolarHBondContact O-OG 3.37Å | ||
| 125 | A | 52.4 | Low | 61.2 | Low | 68 Ų | 68 | 108.7 Ų | 108.7 | 56% | 0.562 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -7.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | R131 | A125-R131 PolarHBondContact O-NH2 2.89Š|
| 126 | S | 60.6 | Low | 63.2 | Low | 102 Ų | 102 | 107.3 Ų | 107.3 | 71% | 0.713 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -38.1 | 176.6 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | G124 R131 | G124-S126 PolarHBondContact O-N 2.78Å; S126-R131 PolarHBondContact O-NE 3.47Å; S126-R131 PolarHBondContact O-NH2 3.32Å |
| 127 | S | 71.2 | Confident | 64.4 | Low | 60 Ų | 60 | 107.1 Ų | 107.1 | 42% | 0.42 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -74.4 | 138.3 | -172 | -176.7 | 0 | 0 | 0 | 0 | 113.1 | G124 A129 S130 R131 | G124-S127 PolarHBondContact O-N 3Å; S127-A129 VanDerWaalsContact C-N 3.26Å; S127-A129 PolarHBondContact O-N 3.35Å; S127-A129 PolarHBondContact OG-N 3.23Å; S127-S130 PolarHBondContact O-N 3.37Å; S127-R131 PolarHBondContact O-N 3.35Å |
| 128 | A | 73.6 | Confident | 66.1 | Low | 70 Ų | 70 | 105.2 Ų | 105.2 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.5 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S130 R131 M132 | A128-S130 PolarHBondContact O-N 2.96Å; A128-R131 WeakPolarHBondContact O-CB 3.45Å; A128-R131 PolarHBondContact O-N 3.05Å; A128-M132 PolarHBondContact O-N 3.32Å |
| 129 | A | 75.5 | Confident | 67 | Low | 54 Ų | 54 | 103.9 Ų | 103.9 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.9 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S127 R131 M132 I133 | S127-A129 VanDerWaalsContact C-N 3.26Å; S127-A129 PolarHBondContact O-N 3.35Å; S127-A129 PolarHBondContact OG-N 3.23Å; A129-R131 VanDerWaalsContact C-N 3.3Å; A129-R131 PolarHBondContact O-N 3.12Å; A129-M132 PolarHBondContact O-N 2.85Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.47Å; A129-I133 PolarHBondContact O-N 3.45Å |
| 130 | S | 79.6 | Confident | 67.3 | Low | 37 Ų | 37 | 108.2 Ų | 108.2 | 26% | 0.259 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.7 | -30.1 | 178.1 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | G124 S127 A128 A134 | G124-S130 VanDerWaalsContact O-CB 3.27Å; G124-S130 WeakPolarHBondContact O-CB 3.27Å; G124-S130 PolarHBondContact O-OG 3.37Å; S127-S130 PolarHBondContact O-N 3.37Å; A128-S130 PolarHBondContact O-N 2.96Å; S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 2.88Å; S130-A134 VanDerWaalsContact O-N 3.13Å |
| 131 | R | 82.9 | Confident | 67.3 | Low | 150 Ų | 150 | 104 Ų | 104 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.6 | -44.2 | 173 | -58.4 | 171.6 | -157.4 | -101.7 | 4.4 | 111.1 | A125 S126 S127 A128 A129 A134 N135 | A125-R131 PolarHBondContact O-NH2 2.89Å; S126-R131 PolarHBondContact O-NE 3.47Å; S126-R131 PolarHBondContact O-NH2 3.32Å; S127-R131 PolarHBondContact O-N 3.35Å; A128-R131 WeakPolarHBondContact O-CB 3.45Å; A128-R131 PolarHBondContact O-N 3.05Å; A129-R131 VanDerWaalsContact C-N 3.3Å; A129-R131 PolarHBondContact O-N 3.12Å; R131-A134 PolarHBondContact O-N 3.22Å; R131-N135 WeakPolarHBondContact O-CB 3.37Å; R131-N135 PolarHBondContact O-N 3.47Å |
| 132 | M | 83.9 | Confident | 67.7 | Low | 133 Ų | 133 | 104.9 Ų | 104.9 | 66% | 0.655 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.4 | -48.6 | 175.3 | -69.7 | 177.5 | 66.6 | 0 | 0 | 111.6 | A128 A129 A134 N135 S136 | A128-M132 PolarHBondContact O-N 3.32Å; A129-M132 PolarHBondContact O-N 2.85Å; M132-A134 PolarHBondContact O-N 2.83Å; M132-N135 PolarHBondContact O-N 3.33Å; M132-S136 PolarHBondContact O-N 3.42Å; M132-S136 PolarHBondContact O-OG 3.29Å |
| 133 | I | 82.7 | Confident | 67.8 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.9 | -46 | 179.3 | -67 | 162.3 | 0 | 0 | 0 | 111 | A129 N135 S136 L137 | A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.47Å; A129-I133 PolarHBondContact O-N 3.45Å; I133-N135 PolarHBondContact O-N 3.02Å; I133-S136 PolarHBondContact O-N 3.26Å; I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 2.9Å |
| 134 | A | 81 | Confident | 67.4 | Low | 39 Ų | 39 | 100.4 Ų | 100.4 | 32% | 0.322 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.1 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S130 R131 M132 S136 L137 N138 | S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 2.88Å; S130-A134 VanDerWaalsContact O-N 3.13Å; R131-A134 PolarHBondContact O-N 3.22Å; M132-A134 PolarHBondContact O-N 2.83Å; A134-S136 VanDerWaalsContact C-N 3.32Å; A134-S136 PolarHBondContact O-N 2.85Å; A134-L137 PolarHBondContact O-N 3.26Å; A134-N138 WeakPolarHBondContact O-CB 3.36Å; A134-N138 VanDerWaalsContact O-CG 3.26Å; A134-N138 PolarHBondContact O-N 3.09Å; A134-N138 PolarHBondContact O-ND2 3.48Å |
| 135 | N | 78.1 | Confident | 67 | Low | 125 Ų | 125 | 104 Ų | 104 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.3 | -26.8 | 178.4 | -162.3 | 104.4 | 0 | 0 | 0 | 113.1 | R131 M132 I133 | R131-N135 WeakPolarHBondContact O-CB 3.37Å; R131-N135 PolarHBondContact O-N 3.47Å; M132-N135 PolarHBondContact O-N 3.33Å; I133-N135 PolarHBondContact O-N 3.02Å |
| 136 | S | 74.8 | Confident | 66.4 | Low | 76 Ų | 76 | 107.1 Ų | 107.1 | 53% | 0.531 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -82.7 | -22.5 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | M132 I133 A134 H139 | M132-S136 PolarHBondContact O-N 3.42Å; M132-S136 PolarHBondContact O-OG 3.29Å; I133-S136 PolarHBondContact O-N 3.26Å; A134-S136 VanDerWaalsContact C-N 3.32Å; A134-S136 PolarHBondContact O-N 2.85Å; S136-H139 PolarHBondContact O-CD2 3.42Å; S136-H139 PolarHBondContact O-NE2 3.19Å |
| 137 | L | 80.9 | Confident | 65.3 | Low | 126 Ų | 126 | 108.7 Ų | 108.7 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -85.9 | -33.7 | 174.5 | -67.8 | 171 | 0 | 0 | 0 | 111.7 | I133 A134 H139 | I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 2.9Å; A134-L137 PolarHBondContact O-N 3.26Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 3.35Å |
| 138 | N | 76.5 | Confident | 64 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | trans | -80.2 | 69.3 | 173.6 | -63.8 | -18.2 | 0 | 0 | 0 | 110.9 | A134 D140 | A134-N138 WeakPolarHBondContact O-CB 3.36Å; A134-N138 VanDerWaalsContact O-CG 3.26Å; A134-N138 PolarHBondContact O-N 3.09Å; A134-N138 PolarHBondContact O-ND2 3.48Å; N138-D140 PolarHBondContact O-N 3.24Å | ||
| 139 | H | 62.9 | Low | 62.1 | Low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.815 | 66% | 0.663 | S | S | * | * | trans | -72.9 | 48.9 | 170.7 | -89.9 | -67.3 | 0 | 0 | 0 | 112.5 | S136 L137 | S136-H139 PolarHBondContact O-CD2 3.42Å; S136-H139 PolarHBondContact O-NE2 3.19Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 3.35Å | ||
| 140 | D | 49.9 | Very low | 60.5 | Low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 155.4 | 170 | -166.3 | 16.6 | 0 | 0 | 0 | 110.7 | N138 | N138-D140 PolarHBondContact O-N 3.24Š|
| 141 | S | 45.5 | Very low | 58.6 | Low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 150.4 | -170.8 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 142 | P | 57.5 | Low | 56.7 | Low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 139.2 | 178.3 | 26 | -34.7 | 0 | 0 | 0 | 111 | ||
| 143 | P | 53 | Low | 54.8 | Low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 140.5 | -173.2 | 24.8 | -34.2 | 0 | 0 | 0 | 112.6 | T145 | P143-T145 PolarHBondContact O-N 3.43Š|
| 144 | H | 42.5 | Very low | 53.2 | Low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 127 | -176.4 | -144.5 | -81.8 | 0 | 0 | 0 | 111.9 | ||
| 145 | T | 41.5 | Very low | 51.7 | Low | 97 Ų | 97 | 137.6 Ų | 137.6 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | trans | 35.7 | 97.5 | 155.5 | 55.4 | 0 | 0 | 0 | 0 | 118.3 | P143 T147 | P143-T145 PolarHBondContact O-N 3.43Å; T145-T147 PolarHBondContact O-N 3.33Å | ||
| 146 | P | 39.9 | Very low | 50.8 | Low | 132 Ų | 132 | 141.1 Ų | 141.1 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -73.5 | 110.7 | 170.4 | 29.4 | -33.3 | 0 | 0 | 0 | 112 | R148 | P146-R148 PolarHBondContact O-N 3.13Š| ||
| 147 | T | 38.9 | Very low | 49.9 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -73.1 | 95.2 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 112 | T145 | T145-T147 PolarHBondContact O-N 3.33Š| ||
| 148 | R | 43.2 | Very low | 48.2 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | 25.4 | 109 | 146.5 | -170.5 | -175.3 | -166.6 | -113.9 | 2.8 | 117.7 | P146 | P146-R148 PolarHBondContact O-N 3.13Š| ||
| 149 | R | 34.1 | Very low | 47 | Very low | 250 Ų | 250 | 144 Ų | 144 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | -144.9 | 154.2 | 129.7 | -110.7 | 169.8 | -171.2 | 156.6 | 3.9 | 110 | |||||
| 150 | S | 41.8 | Very low | 46.2 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -126.5 | 126.3 | -168.4 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 151 | D | 38.4 | Very low | 46 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -125.5 | 132.6 | 165 | -82.6 | -61.9 | 0 | 0 | 0 | 109.9 | ||||
| 152 | N | 43.8 | Very low | 46 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -95.5 | 95.2 | -177.5 | 172.4 | 32.4 | 0 | 0 | 0 | 109.3 | ||||
| 153 | S | 43.2 | Very low | 45.6 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -146.9 | 135.2 | 162.8 | -162.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 154 | T | 49.9 | Very low | 45.6 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -53.5 | 129.4 | -168 | 54.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 155 | S | 50.2 | Low | 45.6 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -156.8 | 135.6 | 145.2 | -87.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 156 | K | 57.7 | Low | 45.3 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -105.6 | 111.4 | -167.4 | -60.5 | 174 | -178.1 | 175 | 0 | 111.8 | ||||
| 157 | I | 56.9 | Low | 45.2 | Very low | 156 Ų | 156 | 145 Ų | 145 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -133.1 | 106.8 | 151 | -65.8 | 89.8 | 0 | 0 | 0 | 108.2 | V159 | I157-V159 HydrophobicContact CG2-CG2 3.96Š| ||
| 158 | S | 44.3 | Very low | 45.1 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -110.6 | 106.5 | 173.3 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 159 | V | 51.1 | Low | 44.8 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -103 | 82 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 109 | I157 V161 | I157-V159 HydrophobicContact CG2-CG2 3.96Å; V159-V161 PolarHBondContact O-N 3.39Å | ||
| 160 | T | 47.4 | Very low | 44.8 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -79.6 | 104 | 173.6 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 161 | V | 46 | Very low | 44.5 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 110.1 | 161.2 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | V159 N163 | V159-V161 PolarHBondContact O-N 3.39Å; V161-N163 PolarHBondContact O-N 3.37Å | ||
| 162 | S | 44.8 | Very low | 44.1 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -71.7 | 121.8 | -175.6 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 163 | N | 49.3 | Very low | 43.6 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -87.3 | 116.7 | 165.5 | -169.1 | 29.1 | 0 | 0 | 0 | 109.4 | V161 | V161-N163 PolarHBondContact O-N 3.37Š| ||
| 164 | K | 52.9 | Low | 43 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -104.9 | 127.3 | 178.4 | -169.6 | 173.2 | -178.4 | 179.1 | 0 | 110.5 | ||||
| 165 | M | 41.5 | Very low | 42.2 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 154.4 | -170.6 | -55.2 | -172.7 | -64.9 | 0 | 0 | 114.1 | ||||
| 166 | A | 35 | Very low | 41.2 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | -121 | 144.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 167 | A | 37.9 | Very low | 39.7 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -138.8 | 150.6 | -161.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 168 | K | 38.6 | Very low | 38.5 | Very low | 196 Ų | 196 | 131.2 Ų | 131.2 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | -174.5 | 117.6 | 153 | -99.8 | 170.2 | 177.7 | -179.7 | 0 | 106.2 | ||||
| 169 | S | 35.7 | Very low | 37.8 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 67.7 | 132.9 | 77.5 | 81.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 170 | A | 33.7 | Very low | 36.8 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | cis | -169.1 | 169.3 | -5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 171 | K | 35.9 | Very low | 36.1 | Very low | 210 Ų | 210 | 135.2 Ų | 135.2 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | trans | 63.7 | 148.7 | 164.7 | -96.6 | 171.9 | 171.6 | 176 | 0 | 116.5 | ||||
| 172 | A | 31.3 | Very low | 35.4 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | cis | -145.3 | 166.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 173 | A | 31.4 | Very low | 35.2 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 9.7 | 122.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 174 | A | 31 | Very low | 34.7 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | 91.9 | 118.8 | 83.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 175 | L | 33.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | 109.1 | 131.9 | 63.4 | -160.1 | 176.9 | 0 | 0 | 0 | 107.8 | |||||
| 176 | A | 29.6 | Very low | 34.4 | Very low | 79 Ų | 79 | 128.6 Ų | 128.6 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | 95.7 | 138.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 177 | H | 26.2 | Very low | 35 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 63.2 | 157.7 | 154.4 | -87.2 | -133.2 | 0 | 0 | 0 | 120.5 | ||||
| 178 | R | 31.2 | Very low | 35.3 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 65% | 0.653 | 76% | 0.757 | S | S | * | * | cis | -171.7 | 157.6 | -35.5 | -172.6 | 173.4 | 139.8 | -169.8 | -28.9 | 106.5 | ||||
| 179 | E | 29.8 | Very low | 35.9 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 56% | 0.556 | 76% | 0.758 | S | S | * | * | trans | 45.1 | 135.7 | 159 | 70.1 | -139.2 | 128.7 | 0 | 0 | 122.7 | ||||
| 180 | E | 30.8 | Very low | 36.5 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 59.4 | 151.4 | 140 | -64.6 | -74.9 | 66.4 | 0 | 0 | 120.3 | ||||
| 181 | E | 31.9 | Very low | 37.9 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -145.5 | 174.6 | -1 | -151.1 | -164.1 | 132.1 | 0 | 0 | 109.3 | ||||
| 182 | S | 31.3 | Very low | 38.8 | Very low | 86 Ų | 86 | 145 Ų | 145 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | 77 | 120 | 147.2 | 79.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 183 | L | 40.8 | Very low | 40.1 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | 63.3 | 131.2 | 134.1 | -58.3 | 171.9 | 0 | 0 | 0 | 121 | ||||
| 184 | V | 37.6 | Very low | 41.5 | Very low | 127 Ų | 127 | 144 Ų | 144 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 115.4 | 72 | 146.1 | -151.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 185 | V | 48.3 | Very low | 42.9 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -4.5 | 125.1 | 158.9 | 178.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 186 | P | 41.6 | Very low | 44 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | -135.2 | 151.6 | 116.7 | 32.8 | -20.4 | 0 | 0 | 0 | 115.2 | |||||
| 187 | T | 45.7 | Very low | 45.5 | Very low | 130 Ų | 130 | 149 Ų | 149 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | -62.4 | 148.6 | 178.3 | 33.3 | 0 | 0 | 0 | 0 | 113.2 | R189 | T187-R189 VanDerWaalsContact C-N 3.32Å; T187-R189 PolarHBondContact O-N 3.35Å | ||
| 188 | K | 46.2 | Very low | 47.3 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 93% | 0.93 | 72% | 0.721 | S | S | * | * | trans | -73.8 | 76.3 | -169.3 | -165.5 | 171.2 | -175.6 | 171.7 | 0 | 113.8 | ||||
| 189 | R | 51 | Low | 49 | Very low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 73% | 0.731 | S | S | * | * | trans | 21.5 | 105 | 154.7 | -55.3 | 178.3 | 81.4 | 173.5 | 6.8 | 115.7 | T187 R191 | T187-R189 VanDerWaalsContact C-N 3.32Å; T187-R189 PolarHBondContact O-N 3.35Å; R189-R191 PolarHBondContact O-N 3.3Å | ||
| 190 | R | 48.2 | Very low | 50.7 | Low | 232 Ų | 232 | 149.4 Ų | 149.4 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | trans | -50.1 | 139.8 | 149.4 | -87 | 176.5 | 147.8 | 150.5 | -10.6 | 108 | V192 | R190-V192 WeakPolarHBondContact CB-O 3.5Å; R190-V192 PolarHBondContact O-N 3.04Å; R190-V192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | R | 62.3 | Low | 52.6 | Low | 253 Ų | 253 | 148.1 Ų | 148.1 | 96% | 0.955 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -72.5 | -2 | -179.4 | -165.2 | 177.3 | -77.2 | -112.9 | 4.7 | 113.3 | R189 | R189-R191 PolarHBondContact O-N 3.3Š|
| 192 | V | 54.9 | Low | 54.4 | Low | 77 Ų | 77 | 146.7 Ų | 146.7 | 47% | 0.467 | 74% | 0.737 | S | S | . | * | S | Bend | trans | -140.4 | 132.3 | -177.6 | -175.4 | 0 | 0 | 0 | 0 | 106.8 | R190 M196 | R190-V192 WeakPolarHBondContact CB-O 3.5Å; R190-V192 PolarHBondContact O-N 3.04Å; R190-V192 VanDerWaalsContact O-N 3.15Å; V192-M196 HydrophobicContact CG1-CB 3.75Å; V192-M196 HydrophobicContact CG1-CG 3.96Å |
| 193 | T | 57.7 | Low | 55.9 | Low | 71 Ų | 71 | 148.9 Ų | 148.9 | 44% | 0.436 | 74% | 0.737 | S | S | . | * | trans | -94 | 158.9 | 171.2 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | E195 M196 | T193-E195 WeakPolarHBondContact CB-OE1 3.27Å; T193-E195 PolarHBondContact O-N 3.24Å; T193-E195 PolarHBondContact OG1-OE1 3.26Å; T193-M196 VanDerWaalsContact O-CB 3.31Å; T193-M196 WeakPolarHBondContact O-CB 3.44Å; T193-M196 PolarHBondContact O-N 2.98Å | ||
| 194 | A | 62.4 | Low | 57.6 | Low | 83 Ų | 83 | 147.5 Ų | 147.5 | 69% | 0.686 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -12.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | E197 | A194-E197 WeakPolarHBondContact O-CG 3.2Š|
| 195 | E | 60.4 | Low | 59 | Low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -21.4 | 171.7 | 70.9 | -127.3 | 123.6 | 0 | 0 | 113.4 | T193 | T193-E195 WeakPolarHBondContact CB-OE1 3.27Å; T193-E195 PolarHBondContact O-N 3.24Å; T193-E195 PolarHBondContact OG1-OE1 3.26Å |
| 196 | M | 56.1 | Low | 59.8 | Low | 144 Ų | 144 | 147.4 Ų | 147.4 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -20.3 | 179.3 | -169.7 | 74.5 | 68.2 | 0 | 0 | 111.5 | V192 T193 G198 | V192-M196 HydrophobicContact CG1-CB 3.75Å; V192-M196 HydrophobicContact CG1-CG 3.96Å; T193-M196 VanDerWaalsContact O-CB 3.31Å; T193-M196 WeakPolarHBondContact O-CB 3.44Å; T193-M196 PolarHBondContact O-N 2.98Å; M196-G198 PolarHBondContact O-N 3.28Å; M196-G198 VanDerWaalsContact O-N 3.13Å |
| 197 | E | 61.4 | Low | 60.7 | Low | 140 Ų | 140 | 142.2 Ų | 142.2 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -83.5 | 48.2 | 166 | 57.3 | -168.8 | 131.7 | 0 | 0 | 112 | A194 K199 | A194-E197 WeakPolarHBondContact O-CG 3.2Å; E197-K199 PolarHBondContact O-N 3.04Å |
| 198 | G | 63.5 | Low | 61.5 | Low | 53 Ų | 53 | 140.9 Ų | 140.9 | 55% | 0.546 | 68% | 0.676 | S | S | . | * | trans | -51.8 | 132.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | M196 Y200 | M196-G198 PolarHBondContact O-N 3.28Å; M196-G198 VanDerWaalsContact O-N 3.13Å; G198-Y200 PolarHBondContact O-N 3.17Å; G198-Y200 VanDerWaalsContact O-N 3.16Å | ||
| 199 | K | 67 | Low | 62.8 | Low | 199 Ų | 199 | 134.1 Ų | 134.1 | 87% | 0.865 | 65% | 0.653 | S | S | * | * | trans | -41.2 | 116.4 | -169.1 | -168.5 | 174.9 | -173.9 | 175.2 | 0 | 112.5 | E197 I201 | E197-K199 PolarHBondContact O-N 3.04Å; K199-I201 PolarHBondContact O-N 2.99Å | ||
| 200 | Y | 65.2 | Low | 63.9 | Low | 211 Ų | 211 | 128.3 Ų | 128.3 | 83% | 0.827 | 65% | 0.646 | S | S | * | * | trans | -67.6 | 91.8 | -167.1 | -160.7 | -103 | 0 | 0 | 0 | 113.1 | G198 I202 | G198-Y200 PolarHBondContact O-N 3.17Å; G198-Y200 VanDerWaalsContact O-N 3.16Å; Y200-I202 HydrophobicContact CD1-CD1 4.29Å; Y200-I202 HydrophobicContact CD1-CG1 3.62Å; Y200-I202 HydrophobicContact CE1-CD1 4.44Å; Y200-I202 HydrophobicContact CE1-CG1 3.82Å; Y200-I202 PolarHBondContact O-N 3.47Å; Y200-I202 VanDerWaalsContact O-N 3.11Å | ||
| 201 | I | 71.9 | Confident | 64.8 | Low | 141 Ų | 141 | 127 Ų | 127 | 72% | 0.723 | 64% | 0.64 | S | S | * | * | trans | -77.3 | 96.3 | 177.4 | -60.2 | 175.3 | 0 | 0 | 0 | 109.1 | K199 H203 | K199-I201 PolarHBondContact O-N 2.99Å; I201-H203 PolarHBondContact O-N 3.41Å | ||
| 202 | I | 69.1 | Low | 65.4 | Low | 121 Ų | 121 | 117 Ų | 117 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | trans | -68.4 | 93.2 | 171.5 | -56.5 | 178.7 | 0 | 0 | 0 | 108.6 | Y200 M204 | Y200-I202 HydrophobicContact CD1-CD1 4.29Å; Y200-I202 HydrophobicContact CD1-CG1 3.62Å; Y200-I202 HydrophobicContact CE1-CD1 4.44Å; Y200-I202 HydrophobicContact CE1-CG1 3.82Å; Y200-I202 PolarHBondContact O-N 3.47Å; Y200-I202 VanDerWaalsContact O-N 3.11Å; I202-M204 HydrophobicContact CG2-CE 4.21Å; I202-M204 PolarHBondContact O-N 3.45Å | ||
| 203 | H | 63.6 | Low | 66.4 | Low | 132 Ų | 132 | 120.7 Ų | 120.7 | 61% | 0.611 | 61% | 0.613 | S | S | * | * | trans | -77.2 | 92.2 | -179.3 | -136.2 | -23 | 0 | 0 | 0 | 111 | I201 K206 | I201-H203 PolarHBondContact O-N 3.41Å; H203-K206 WeakPolarHBondContact CE1-CE 3.49Å | ||
| 204 | M | 75.4 | Confident | 67.3 | Low | 135 Ų | 135 | 124.2 Ų | 124.2 | 67% | 0.665 | 62% | 0.623 | S | S | * | * | trans | -52.2 | 138.1 | 171.1 | -78.5 | -80.4 | 97.4 | 0 | 0 | 110.9 | I202 K206 | I202-M204 HydrophobicContact CG2-CE 4.21Å; I202-M204 PolarHBondContact O-N 3.45Å; M204-K206 PolarHBondContact O-N 2.9Å; M204-K206 VanDerWaalsContact O-N 3.08Å | ||
| 205 | P | 66.3 | Low | 68 | Low | 95 Ų | 95 | 124.2 Ų | 124.2 | 62% | 0.617 | 61% | 0.61 | S | S | * | * | trans | -65.3 | 112.9 | -177.9 | 26.1 | -33.6 | 0 | 0 | 0 | 109.9 | G207 | P205-G207 PolarHBondContact O-N 3.27Š| ||
| 206 | K | 66.3 | Low | 68.4 | Low | 157 Ų | 157 | 120.2 Ų | 120.2 | 68% | 0.683 | 59% | 0.593 | S | S | * | * | trans | -66.3 | 22 | -172 | -60 | -176.2 | -178 | 175.9 | 0 | 115.7 | H203 M204 T208 | H203-K206 WeakPolarHBondContact CE1-CE 3.49Å; M204-K206 PolarHBondContact O-N 2.9Å; M204-K206 VanDerWaalsContact O-N 3.08Å; K206-T208 PolarHBondContact O-N 2.98Å; K206-T208 VanDerWaalsContact O-N 3.09Å | ||
| 207 | G | 59.4 | Low | 69.3 | Low | 10 Ų | 10 | 119.4 Ų | 119.4 | 10% | 0.103 | 59% | 0.588 | C | S | . | * | S | Bend | trans | 69.3 | 4.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P205 T209 R213 | P205-G207 PolarHBondContact O-N 3.27Å; G207-T209 VanDerWaalsContact C-N 3.31Å; G207-T209 PolarHBondContact O-N 3.44Å; G207-R213 WeakPolarHBondContact O-CG 3.1Å |
| 208 | T | 63.8 | Low | 69.8 | Low | 101 Ų | 101 | 119.1 Ų | 119.1 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | trans | -65.4 | -27.5 | -166.2 | -36.7 | 0 | 0 | 0 | 0 | 114.5 | K206 | K206-T208 PolarHBondContact O-N 2.98Å; K206-T208 VanDerWaalsContact O-N 3.09Å | ||
| 209 | T | 73.9 | Confident | 69.8 | Low | 73 Ų | 73 | 122.3 Ų | 122.3 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -73.9 | 144.7 | 178.1 | 88.8 | 0 | 0 | 0 | 0 | 111.4 | G207 R211 T212 R213 | G207-T209 VanDerWaalsContact C-N 3.31Å; G207-T209 PolarHBondContact O-N 3.44Å; T209-R211 PolarHBondContact O-N 2.86Å; T209-T212 PolarHBondContact O-N 3.07Å; T209-T212 PolarHBondContact OG1-N 3.15Å; T209-T212 VanDerWaalsContact OG1-N 3.07Å; T209-T212 PolarHBondContact OG1-OG1 3.04Å; T209-R213 PolarHBondContact O-N 3.29Å |
| 210 | P | 72.7 | Confident | 69.6 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.6 | -31.5 | 179.8 | 24.1 | -34 | 0 | 0 | 0 | 112.6 | K214 | P210-K214 PolarHBondContact O-N 3.34Å; P210-K214 VanDerWaalsContact O-N 3.13Å |
| 211 | R | 67.8 | Low | 69.2 | Low | 203 Ų | 203 | 112.5 Ų | 112.5 | 77% | 0.766 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -42.7 | 174.1 | -170.6 | 177 | -177.3 | -177 | 1.2 | 111.6 | T209 I215 | T209-R211 PolarHBondContact O-N 2.86Å; R211-I215 HydrophobicContact CG-CD1 4.25Å; R211-I215 WeakPolarHBondContact O-CD1 3.31Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.21Å; R211-I215 PolarHBondContact O-N 2.99Å |
| 212 | T | 75.1 | Confident | 68.4 | Low | 43 Ų | 43 | 109.8 Ų | 109.8 | 26% | 0.264 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.4 | -39.9 | 177.6 | -43.3 | 0 | 0 | 0 | 0 | 111.6 | T209 K214 I215 L216 | T209-T212 PolarHBondContact O-N 3.07Å; T209-T212 PolarHBondContact OG1-N 3.15Å; T209-T212 VanDerWaalsContact OG1-N 3.07Å; T209-T212 PolarHBondContact OG1-OG1 3.04Å; T212-K214 PolarHBondContact O-N 3.39Å; T212-I215 PolarHBondContact O-N 3.17Å; T212-L216 WeakPolarHBondContact O-CB 3.49Å; T212-L216 PolarHBondContact O-N 3.09Å |
| 213 | R | 74.7 | Confident | 67.7 | Low | 156 Ų | 156 | 111.7 Ų | 111.7 | 59% | 0.589 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -54.3 | -53.8 | 174.2 | -66.3 | -168.8 | -171.6 | 179.9 | 2.1 | 111.2 | G207 T209 I215 L216 E217 | G207-R213 WeakPolarHBondContact O-CG 3.1Å; T209-R213 PolarHBondContact O-N 3.29Å; R213-I215 VanDerWaalsContact C-N 3.28Å; R213-I215 PolarHBondContact O-N 2.97Å; R213-L216 PolarHBondContact O-N 3.01Å; R213-L216 VanDerWaalsContact O-N 3.07Å; R213-E217 VanDerWaalsContact O-CB 3.26Å; R213-E217 WeakPolarHBondContact O-CB 3.48Å; R213-E217 PolarHBondContact O-N 3.46Å |
| 214 | K | 78.3 | Confident | 66.9 | Low | 145 Ų | 145 | 108.6 Ų | 108.6 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.4 | -37.8 | -179.3 | -172.2 | 169 | -175.6 | 170.2 | 0 | 113 | P210 T212 Q218 | P210-K214 PolarHBondContact O-N 3.34Å; P210-K214 VanDerWaalsContact O-N 3.13Å; T212-K214 PolarHBondContact O-N 3.39Å; K214-Q218 WeakPolarHBondContact O-CB 3.47Å; K214-Q218 PolarHBondContact O-N 3.11Å |
| 215 | I | 75.6 | Confident | 65.7 | Low | 82 Ų | 82 | 109.7 Ų | 109.7 | 42% | 0.421 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.4 | -41.9 | 176.4 | -67.9 | 165 | 0 | 0 | 0 | 111.3 | R211 T212 R213 Q219 | R211-I215 HydrophobicContact CG-CD1 4.25Å; R211-I215 WeakPolarHBondContact O-CD1 3.31Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.21Å; R211-I215 PolarHBondContact O-N 2.99Å; T212-I215 PolarHBondContact O-N 3.17Å; R213-I215 VanDerWaalsContact C-N 3.28Å; R213-I215 PolarHBondContact O-N 2.97Å; I215-Q219 VanDerWaalsContact O-CG 3.31Å; I215-Q219 WeakPolarHBondContact O-CG 3.48Å; I215-Q219 PolarHBondContact O-N 2.96Å |
| 216 | L | 70.4 | Confident | 65 | Low | 73 Ų | 73 | 113.6 Ų | 113.6 | 38% | 0.382 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.7 | -40.6 | -176.4 | -144.3 | 159 | 0 | 0 | 0 | 111.3 | T212 R213 Q219 Q220 | T212-L216 WeakPolarHBondContact O-CB 3.49Å; T212-L216 PolarHBondContact O-N 3.09Å; R213-L216 PolarHBondContact O-N 3.01Å; R213-L216 VanDerWaalsContact O-N 3.07Å; L216-Q219 PolarHBondContact O-N 3.12Å; L216-Q220 HydrophobicContact CD2-CG 4.33Å; L216-Q220 WeakPolarHBondContact O-CG 3.43Å; L216-Q220 PolarHBondContact O-N 3.42Å |
| 217 | E | 74.1 | Confident | 64.6 | Low | 128 Ų | 128 | 117.7 Ų | 117.7 | 60% | 0.598 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.9 | -46.9 | 169.7 | 178.6 | 178.5 | -134.5 | 0 | 0 | 111.4 | R213 Q219 Q220 A221 | R213-E217 VanDerWaalsContact O-CB 3.26Å; R213-E217 WeakPolarHBondContact O-CB 3.48Å; R213-E217 PolarHBondContact O-N 3.46Å; E217-Q219 VanDerWaalsContact C-N 3.28Å; E217-Q219 PolarHBondContact O-N 3.37Å; E217-Q220 CarbonylContact O-C 3.6Å; E217-Q220 PolarHBondContact O-N 3.36Å; E217-A221 WeakPolarHBondContact O-CB 3.39Å; E217-A221 PolarHBondContact O-N 3.01Å |
| 218 | Q | 71.1 | Confident | 64.6 | Low | 133 Ų | 133 | 121.6 Ų | 121.6 | 62% | 0.621 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.9 | -32.5 | 176.4 | -170.9 | 171.5 | 11.1 | 0 | 0 | 112.3 | K214 A222 | K214-Q218 WeakPolarHBondContact O-CB 3.47Å; K214-Q218 PolarHBondContact O-N 3.11Å; Q218-A222 WeakPolarHBondContact O-CB 3.42Å; Q218-A222 PolarHBondContact O-N 3.39Å |
| 219 | Q | 64.1 | Low | 65 | Low | 120 Ų | 120 | 119 Ų | 119 | 56% | 0.561 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.4 | -26.6 | 171.4 | -74.2 | 177.2 | 19.6 | 0 | 0 | 113.6 | I215 L216 E217 K223 | I215-Q219 VanDerWaalsContact O-CG 3.31Å; I215-Q219 WeakPolarHBondContact O-CG 3.48Å; I215-Q219 PolarHBondContact O-N 2.96Å; L216-Q219 PolarHBondContact O-N 3.12Å; E217-Q219 VanDerWaalsContact C-N 3.28Å; E217-Q219 PolarHBondContact O-N 3.37Å; Q219-K223 WeakPolarHBondContact O-CG 3.14Å |
| 220 | Q | 63.3 | Low | 64.5 | Low | 124 Ų | 124 | 120.2 Ų | 120.2 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -78.6 | -43.8 | 173.6 | -74.1 | 173.5 | -9.2 | 0 | 0 | 111.3 | L216 E217 A222 K223 | L216-Q220 HydrophobicContact CD2-CG 4.33Å; L216-Q220 WeakPolarHBondContact O-CG 3.43Å; L216-Q220 PolarHBondContact O-N 3.42Å; E217-Q220 CarbonylContact O-C 3.6Å; E217-Q220 PolarHBondContact O-N 3.36Å; Q220-A222 VanDerWaalsContact C-N 3.26Å; Q220-A222 PolarHBondContact O-N 2.96Å; Q220-K223 WeakPolarHBondContact O-CA 3.28Å; Q220-K223 WeakPolarHBondContact O-CB 3.37Å; Q220-K223 PolarHBondContact O-N 2.79Å |
| 221 | A | 56.8 | Low | 64.1 | Low | 81 Ų | 81 | 123.1 Ų | 123.1 | 67% | 0.669 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.4 | -30.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E217 K223 | E217-A221 WeakPolarHBondContact O-CB 3.39Å; E217-A221 PolarHBondContact O-N 3.01Å; A221-K223 PolarHBondContact O-N 3.3Å |
| 222 | A | 54.8 | Low | 64.4 | Low | 83 Ų | 83 | 118.1 Ų | 118.1 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -13.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q218 Q220 G224 | Q218-A222 WeakPolarHBondContact O-CB 3.42Å; Q218-A222 PolarHBondContact O-N 3.39Å; Q220-A222 VanDerWaalsContact C-N 3.26Å; Q220-A222 PolarHBondContact O-N 2.96Å; A222-G224 PolarHBondContact O-N 2.91Å; A222-G224 VanDerWaalsContact O-N 3.12Å |
| 223 | K | 53.5 | Low | 64 | Low | 162 Ų | 162 | 124.6 Ų | 124.6 | 70% | 0.704 | 63% | 0.625 | S | S | * | * | trans | -85.1 | 52.6 | 168.6 | -67.1 | 175.8 | -178.4 | -175.2 | 0 | 110.8 | Q219 Q220 A221 L225 | Q219-K223 WeakPolarHBondContact O-CG 3.14Å; Q220-K223 WeakPolarHBondContact O-CA 3.28Å; Q220-K223 WeakPolarHBondContact O-CB 3.37Å; Q220-K223 PolarHBondContact O-N 2.79Å; A221-K223 PolarHBondContact O-N 3.3Å; K223-L225 PolarHBondContact O-N 3.44Å | ||
| 224 | G | 46.8 | Very low | 63.8 | Low | 66 Ų | 66 | 121.9 Ų | 121.9 | 68% | 0.68 | 62% | 0.622 | S | S | * | * | trans | -62.2 | 102.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A222 | A222-G224 PolarHBondContact O-N 2.91Å; A222-G224 VanDerWaalsContact O-N 3.12Å | ||
| 225 | L | 51.4 | Low | 63 | Low | 158 Ų | 158 | 116.5 Ų | 116.5 | 83% | 0.827 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 61.3 | 134.9 | -174.2 | -159.7 | 66.1 | 0 | 0 | 0 | 114.4 | K223 R227 | K223-L225 PolarHBondContact O-N 3.44Å; L225-R227 PolarHBondContact O-N 3.07Å |
| 226 | H | 51.6 | Low | 62.1 | Low | 177 Ų | 177 | 115.9 Ų | 115.9 | 82% | 0.819 | 62% | 0.615 | S | S | * | * | trans | -62.2 | 102.9 | 176.9 | -73.4 | -120.1 | 0 | 0 | 0 | 110 | T228 | H226-T228 PolarHBondContact O-N 2.95Š| ||
| 227 | R | 58 | Low | 61.5 | Low | 244 Ų | 244 | 119 Ų | 119 | 92% | 0.921 | 63% | 0.627 | S | S | * | * | trans | -63.6 | 102.1 | 161.7 | -76.4 | -172.3 | 171.1 | -162.8 | -4 | 107 | L225 S229 | L225-R227 PolarHBondContact O-N 3.07Å; R227-S229 PolarHBondContact O-N 3.22Å | ||
| 228 | T | 58.3 | Low | 60.7 | Low | 91 Ų | 91 | 116.5 Ų | 116.5 | 56% | 0.558 | 62% | 0.623 | S | S | * | * | trans | -51.8 | 128.6 | 179.8 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | H226 | H226-T228 PolarHBondContact O-N 2.95Š| ||
| 229 | S | 72.2 | Confident | 60.1 | Low | 47 Ų | 47 | 118.9 Ų | 118.9 | 33% | 0.329 | 63% | 0.632 | S | S | . | * | trans | -60.8 | 147.5 | 179.3 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | R227 F231 D232 R233 | R227-S229 PolarHBondContact O-N 3.22Å; S229-F231 PolarHBondContact O-N 3.04Å; S229-F231 PolarHBondContact OG-N 3.36Å; S229-D232 WeakPolarHBondContact CA-OD2 3.26Å; S229-D232 WeakPolarHBondContact CB-OD2 3.42Å; S229-D232 PolarHBondContact N-OD2 2.98Å; S229-D232 WeakPolarHBondContact O-CB 3.49Å; S229-D232 PolarHBondContact O-N 3.41Å; S229-R233 PolarHBondContact O-N 2.86Å; S229-R233 VanDerWaalsContact O-N 3.07Å | ||
| 230 | V | 64.3 | Low | 59.2 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 60% | 0.6 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.6 | -33 | 171.5 | -172 | 0 | 0 | 0 | 0 | 109.4 | R233 L234 | V230-R233 PolarHBondContact O-N 3.28Å; V230-L234 HydrophobicContact CG1-CD1 3.9Å; V230-L234 HydrophobicContact CG1-CG 4.34Å; V230-L234 WeakPolarHBondContact O-CB 3.48Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.43Å; V230-L234 PolarHBondContact O-N 3.45Å |
| 231 | F | 64.8 | Low | 58 | Low | 171 Ų | 171 | 118.4 Ų | 118.4 | 75% | 0.75 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69 | -29.9 | 172.7 | -58.6 | -75.6 | 0 | 0 | 0 | 114.1 | S229 G235 | S229-F231 PolarHBondContact O-N 3.04Å; S229-F231 PolarHBondContact OG-N 3.36Å; F231-G235 WeakPolarHBondContact O-CA 3.37Å; F231-G235 PolarHBondContact O-N 3.29Å |
| 232 | D | 72.7 | Confident | 57.9 | Low | 98 Ų | 98 | 120.7 Ų | 120.7 | 52% | 0.524 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71 | -41.5 | 174.4 | -54.7 | -28.7 | 0 | 0 | 0 | 109.9 | S229 G235 A236 | S229-D232 WeakPolarHBondContact CA-OD2 3.26Å; S229-D232 WeakPolarHBondContact CB-OD2 3.42Å; S229-D232 PolarHBondContact N-OD2 2.98Å; S229-D232 WeakPolarHBondContact O-CB 3.49Å; S229-D232 PolarHBondContact O-N 3.41Å; D232-G235 PolarHBondContact O-N 3.27Å; D232-A236 WeakPolarHBondContact O-CB 3.37Å; D232-A236 PolarHBondContact O-N 3.27Å |
| 233 | R | 68.2 | Low | 57.6 | Low | 179 Ų | 179 | 122.4 Ų | 122.4 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67 | -44.3 | 179 | -70 | 178.8 | 59.4 | -174.4 | -4.3 | 112.5 | S229 V230 | S229-R233 PolarHBondContact O-N 2.86Å; S229-R233 VanDerWaalsContact O-N 3.07Å; V230-R233 PolarHBondContact O-N 3.28Å |
| 234 | L | 69.1 | Low | 57.1 | Low | 99 Ų | 99 | 120.8 Ų | 120.8 | 52% | 0.518 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -78 | -19.6 | 176.1 | -62.1 | 174.3 | 0 | 0 | 0 | 112.8 | V230 E237 | V230-L234 HydrophobicContact CG1-CD1 3.9Å; V230-L234 HydrophobicContact CG1-CG 4.34Å; V230-L234 WeakPolarHBondContact O-CB 3.48Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.43Å; V230-L234 PolarHBondContact O-N 3.45Å; L234-E237 WeakPolarHBondContact CA-OE1 3.01Å; L234-E237 WeakPolarHBondContact CD2-OE1 3.05Å; L234-E237 WeakPolarHBondContact O-CG 3.34Å |
| 235 | G | 61.2 | Low | 57.5 | Low | 32 Ų | 32 | 121.2 Ų | 121.2 | 33% | 0.33 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -76.2 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F231 D232 E237 S238 | F231-G235 WeakPolarHBondContact O-CA 3.37Å; F231-G235 PolarHBondContact O-N 3.29Å; D232-G235 PolarHBondContact O-N 3.27Å; G235-E237 VanDerWaalsContact C-N 3.33Å; G235-E237 PolarHBondContact O-N 3.27Å; G235-S238 WeakPolarHBondContact O-CB 3.31Å; G235-S238 PolarHBondContact O-N 3.34Å; G235-S238 VanDerWaalsContact O-N 3.1Å; G235-S238 PolarHBondContact O-OG 2.8Å |
| 236 | A | 58.4 | Low | 57.6 | Low | 69 Ų | 69 | 120 Ų | 120 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.9 | -35.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D232 S238 | D232-A236 WeakPolarHBondContact O-CB 3.37Å; D232-A236 PolarHBondContact O-N 3.27Å; A236-S238 PolarHBondContact O-N 3.02Å |
| 237 | E | 56.4 | Low | 58.1 | Low | 139 Ų | 139 | 120.4 Ų | 120.4 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -11.9 | 177.4 | 61.4 | -171.3 | 165.5 | 0 | 0 | 113.9 | L234 G235 | L234-E237 WeakPolarHBondContact CA-OE1 3.01Å; L234-E237 WeakPolarHBondContact CD2-OE1 3.05Å; L234-E237 WeakPolarHBondContact O-CG 3.34Å; G235-E237 VanDerWaalsContact C-N 3.33Å; G235-E237 PolarHBondContact O-N 3.27Å |
| 238 | S | 58.5 | Low | 58.1 | Low | 74 Ų | 74 | 114.5 Ų | 114.5 | 52% | 0.517 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | 1 | 179.7 | 76.6 | 0 | 0 | 0 | 0 | 115.2 | G235 A236 | G235-S238 WeakPolarHBondContact O-CB 3.31Å; G235-S238 PolarHBondContact O-N 3.34Å; G235-S238 VanDerWaalsContact O-N 3.1Å; G235-S238 PolarHBondContact O-OG 2.8Å; A236-S238 PolarHBondContact O-N 3.02Å |
| 239 | K | 58 | Low | 58.3 | Low | 183 Ų | 183 | 117.4 Ų | 117.4 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -140.9 | 24.9 | -171.2 | -55.8 | -64.2 | 159.2 | -157.2 | 0 | 114.6 | ||
| 240 | A | 44.1 | Very low | 57.9 | Low | 86 Ų | 86 | 116.9 Ų | 116.9 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | -115.3 | 124.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 241 | D | 39.3 | Very low | 57.8 | Low | 149 Ų | 149 | 118.1 Ų | 118.1 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | trans | -86.1 | 157.3 | -174 | -160.5 | 1.5 | 0 | 0 | 0 | 112.8 | T243 | D241-T243 PolarHBondContact O-N 3.04Š| ||
| 242 | T | 53.4 | Low | 57.4 | Low | 128 Ų | 128 | 118.7 Ų | 118.7 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -30.9 | 109.4 | 170.9 | -45.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 243 | T | 49.8 | Very low | 56.9 | Low | 120 Ų | 120 | 118.7 Ų | 118.7 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | -172.5 | 155.1 | 134.9 | -175.9 | 0 | 0 | 0 | 0 | 112.8 | D241 | D241-T243 PolarHBondContact O-N 3.04Š| ||
| 244 | T | 42.7 | Very low | 56.6 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | trans | 57.4 | 90.4 | 161.5 | -51.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 245 | G | 55.9 | Low | 56 | Low | 75 Ų | 75 | 123.5 Ų | 123.5 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | -82.4 | 151.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 246 | T | 53.4 | Low | 55.8 | Low | 132 Ų | 132 | 125.4 Ų | 125.4 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -146 | 116.8 | 153.5 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 247 | K | 61.7 | Low | 54.9 | Low | 187 Ų | 187 | 126.7 Ų | 126.7 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 19.2 | 106.1 | 163.7 | -62.6 | 173.9 | -177.6 | 174.9 | 0 | 117.4 | T249 | K247-T249 PolarHBondContact O-N 2.93Å; K247-T249 VanDerWaalsContact O-N 3.17Å | ||
| 248 | P | 58.4 | Low | 54.4 | Low | 119 Ų | 119 | 126.8 Ų | 126.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 115 | 174.5 | 28.3 | -33.9 | 0 | 0 | 0 | 111.5 | G250 | P248-G250 VanDerWaalsContact C-N 3.29Å; P248-G250 PolarHBondContact O-N 2.99Å | ||
| 249 | T | 60.8 | Low | 53.9 | Low | 152 Ų | 152 | 129 Ų | 129 | 93% | 0.933 | 77% | 0.77 | S | S | * | * | trans | -79.4 | 80.8 | 168.2 | -71 | 0 | 0 | 0 | 0 | 109 | K247 | K247-T249 PolarHBondContact O-N 2.93Å; K247-T249 VanDerWaalsContact O-N 3.17Å | ||
| 250 | G | 65.4 | Low | 53.2 | Low | 36 Ų | 36 | 128.1 Ų | 128.1 | 37% | 0.371 | 77% | 0.769 | S | S | . | * | trans | -103.6 | 142.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P248 F252 S253 | P248-G250 VanDerWaalsContact C-N 3.29Å; P248-G250 PolarHBondContact O-N 2.99Å; G250-F252 PolarHBondContact O-N 3.02Å; G250-F252 VanDerWaalsContact O-N 3.15Å; G250-S253 WeakPolarHBondContact O-CB 3.04Å; G250-S253 PolarHBondContact O-N 2.7Å; G250-S253 VanDerWaalsContact O-N 3.09Å | ||
| 251 | V | 60.8 | Low | 53.3 | Low | 125 Ų | 125 | 132.6 Ų | 132.6 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -58.8 | -29.7 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | S253 R254 | V251-S253 VanDerWaalsContact C-N 3.27Å; V251-S253 PolarHBondContact O-N 3.1Å; V251-R254 PolarHBondContact O-N 3.34Å |
| 252 | F | 56.3 | Low | 53.6 | Low | 184 Ų | 184 | 132.3 Ų | 132.3 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -63.4 | -25.2 | 177.7 | -67.9 | -82.5 | 0 | 0 | 0 | 114.3 | G250 R254 L255 | G250-F252 PolarHBondContact O-N 3.02Å; G250-F252 VanDerWaalsContact O-N 3.15Å; F252-R254 PolarHBondContact O-N 3.07Å; F252-L255 PolarHBondContact O-N 3.2Å |
| 253 | S | 63.7 | Low | 53.1 | Low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -68.6 | -3 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 114.2 | G250 V251 | G250-S253 WeakPolarHBondContact O-CB 3.04Å; G250-S253 PolarHBondContact O-N 2.7Å; G250-S253 VanDerWaalsContact O-N 3.09Å; V251-S253 VanDerWaalsContact C-N 3.27Å; V251-S253 PolarHBondContact O-N 3.1Å |
| 254 | R | 60.3 | Low | 52.9 | Low | 224 Ų | 224 | 137.1 Ų | 137.1 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -95 | -2.6 | 176 | -82.3 | 178.7 | 137.4 | -104 | -1 | 115 | V251 F252 | V251-R254 PolarHBondContact O-N 3.34Å; F252-R254 PolarHBondContact O-N 3.07Å |
| 255 | L | 58 | Low | 53.1 | Low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -114.5 | 22.9 | -172.9 | -67.4 | 175.8 | 0 | 0 | 0 | 114.2 | F252 | F252-L255 PolarHBondContact O-N 3.2Š|
| 256 | G | 55.5 | Low | 52.9 | Low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -153.7 | 60.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 257 | A | 40.3 | Very low | 52.3 | Low | 96 Ų | 96 | 146 Ų | 146 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -160.3 | 81.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 258 | T | 47 | Very low | 51.2 | Low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -93.7 | 134.8 | 158.9 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 259 | P | 47 | Very low | 50.3 | Low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -125.2 | 136.7 | 142.4 | 34.3 | -25.2 | 0 | 0 | 0 | 111.1 | ||||
| 260 | E | 44.2 | Very low | 49.6 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | -60 | 138.2 | 167.1 | -55.8 | -65.1 | 157 | 0 | 0 | 110.7 | ||||
| 261 | M | 45.4 | Very low | 48.6 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -149.1 | 119.6 | 147.5 | -74.3 | -161.6 | 167 | 0 | 0 | 108.7 | ||||
| 262 | D | 44.9 | Very low | 47.8 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -72.9 | 135.7 | 176.6 | -38.5 | -116.7 | 0 | 0 | 0 | 111.2 | ||||
| 263 | E | 44.3 | Very low | 47.4 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -150 | 123.4 | 159.9 | -62.7 | -65.9 | 177.8 | 0 | 0 | 109.3 | L265 | E263-L265 PolarHBondContact O-N 3.13Š| ||
| 264 | D | 45.3 | Very low | 46.6 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -74.4 | 120.2 | 175.9 | -93.5 | -51.7 | 0 | 0 | 0 | 111.5 | ||||
| 265 | L | 45.9 | Very low | 45.8 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | -140.8 | 121.7 | 160.6 | -75.9 | -179.6 | 0 | 0 | 0 | 111.2 | E263 | E263-L265 PolarHBondContact O-N 3.13Š| ||
| 266 | A | 52.8 | Low | 45.3 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -68.2 | 135.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 267 | W | 40.9 | Very low | 45 | Very low | 248 Ų | 248 | 141.3 Ų | 141.3 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -132.2 | 141.7 | 162.8 | -161.4 | -93.3 | 0 | 0 | 0 | 110.3 | ||||
| 268 | D | 37.4 | Very low | 45.4 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -76.9 | 148.6 | -173.9 | -154.1 | -7.6 | 0 | 0 | 0 | 111.8 | D270 | D268-D270 PolarHBondContact O-N 2.93Š| ||
| 269 | S | 40.1 | Very low | 45.6 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -100.3 | 37.2 | -163.3 | -173.4 | 0 | 0 | 0 | 0 | 114.6 | N271 | S269-N271 PolarHBondContact O-N 2.82Å; S269-N271 VanDerWaalsContact O-N 3.1Å | ||
| 270 | D | 46.4 | Very low | 45.9 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -79.4 | 86 | 171.9 | -91.7 | -24.4 | 0 | 0 | 0 | 111.7 | D268 | D268-D270 PolarHBondContact O-N 2.93Š| ||
| 271 | N | 44.6 | Very low | 45.8 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -105.5 | 79.1 | 166.4 | -176 | 94.9 | 0 | 0 | 0 | 110.2 | S269 | S269-N271 PolarHBondContact O-N 2.82Å; S269-N271 VanDerWaalsContact O-N 3.1Å | ||
| 272 | D | 43.6 | Very low | 46.1 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -64.6 | 148.2 | 171.7 | -173.9 | 25.7 | 0 | 0 | 0 | 111.8 | ||||
| 273 | S | 48.5 | Very low | 46.2 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -103.1 | 94.3 | -169.9 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 274 | S | 45.5 | Very low | 46.8 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -161 | 108.4 | 160.1 | -91.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 275 | S | 44.3 | Very low | 47 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -168.3 | 88.7 | 135.4 | 41.6 | 0 | 0 | 0 | 0 | 112.4 | S277 | S275-S277 PolarHBondContact O-N 3.47Š| ||
| 276 | S | 47.6 | Very low | 47.3 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -68.9 | 119.8 | 157.6 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 277 | S | 48.8 | Very low | 47 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -126.5 | 92.6 | 173.5 | -167.6 | 0 | 0 | 0 | 0 | 110 | S275 L279 | S275-S277 PolarHBondContact O-N 3.47Å; S277-L279 PolarHBondContact O-N 3.07Å | ||
| 278 | V | 49.3 | Very low | 47.2 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | trans | -70.8 | 116 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 109 | Q280 | V278-Q280 PolarHBondContact O-N 2.82Š| ||
| 279 | L | 49.8 | Very low | 47.5 | Very low | 153 Ų | 153 | 139 Ų | 139 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -63.9 | 95.8 | 173.9 | -78.5 | 168.5 | 0 | 0 | 0 | 110.8 | S277 Y281 | S277-L279 PolarHBondContact O-N 3.07Å; L279-Y281 PolarHBondContact O-N 2.76Å | ||
| 280 | Q | 53.8 | Low | 47.3 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -65.5 | 119.5 | 169.8 | -72.7 | -175 | -20.3 | 0 | 0 | 109.8 | V278 A282 | V278-Q280 PolarHBondContact O-N 2.82Å; Q280-A282 PolarHBondContact O-N 2.98Å | ||
| 281 | Y | 41.8 | Very low | 47.2 | Very low | 229 Ų | 229 | 141 Ų | 141 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -68.1 | 91 | 173.2 | -86 | -101 | 0 | 0 | 0 | 110.4 | L279 G283 | L279-Y281 PolarHBondContact O-N 2.76Å; Y281-G283 PolarHBondContact O-N 2.95Å; Y281-G283 VanDerWaalsContact O-N 3.09Å | ||
| 282 | A | 52.2 | Low | 47.3 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -63.5 | 108.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q280 | Q280-A282 PolarHBondContact O-N 2.98Š| ||
| 283 | G | 47.8 | Very low | 46.7 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -61.7 | 144.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y281 L285 | Y281-G283 PolarHBondContact O-N 2.95Å; Y281-G283 VanDerWaalsContact O-N 3.09Å; G283-L285 VanDerWaalsContact C-N 3.32Å; G283-L285 PolarHBondContact O-N 3.49Å | ||
| 284 | V | 56.1 | Low | 46.1 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 95% | 0.945 | 83% | 0.825 | S | S | * | * | trans | -72.3 | 83.7 | -179.7 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 285 | L | 49.8 | Very low | 45.5 | Very low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | trans | -94.2 | 137.6 | 175.6 | -151.9 | 70.6 | 0 | 0 | 0 | 111.6 | G283 | G283-L285 VanDerWaalsContact C-N 3.32Å; G283-L285 PolarHBondContact O-N 3.49Å | ||
| 286 | K | 51.6 | Low | 45.1 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -65.2 | 136.3 | -175 | -66.8 | 169 | 177.4 | 172.9 | 0 | 111.3 | L288 | K286-L288 PolarHBondContact O-N 2.79Š| ||
| 287 | K | 47.9 | Very low | 44.7 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -84.3 | 104.4 | 175.1 | -58.2 | -166.5 | -179.6 | -169.5 | 0 | 110.6 | ||||
| 288 | L | 44.5 | Very low | 44.3 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -94.2 | 136.9 | 153.7 | -89.9 | 66.2 | 0 | 0 | 0 | 107.5 | K286 | K286-L288 PolarHBondContact O-N 2.79Š| ||
| 289 | G | 44 | Very low | 44.5 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -88.7 | 154.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 290 | R | 36.6 | Very low | 43.8 | Very low | 245 Ų | 245 | 141 Ų | 141 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -156.5 | 133.5 | 154.1 | -158.6 | 169.2 | -65.5 | -108.7 | 0.2 | 108.6 | ||||
| 291 | G | 44.3 | Very low | 43.1 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -94.4 | 159.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 292 | P | 45.1 | Very low | 42.8 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -100.4 | 141.2 | 175 | 36 | -30.2 | 0 | 0 | 0 | 112.6 | ||||
| 293 | T | 31.2 | Very low | 42 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -134.1 | 134.6 | 165.6 | 42.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 294 | K | 35.3 | Very low | 41.4 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | 58.8 | 130.8 | 154.9 | -161.1 | 175.9 | -176.3 | -179.2 | 0 | 119.6 | ||||
| 295 | A | 32.9 | Very low | 40.7 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -123 | 168.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 296 | S | 36.1 | Very low | 39.7 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -157.4 | 162.1 | -171.4 | -85 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 297 | A | 40.1 | Very low | 39 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | cis | -177.8 | 142.7 | -23.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 298 | Q | 40.6 | Very low | 38.4 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 68.6 | 165.3 | 157.1 | -61.7 | -63.8 | -22.2 | 0 | 0 | 118.2 | ||||
| 299 | P | 53.8 | Low | 38.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -116.9 | -162.4 | -1.5 | 44.2 | -29.6 | 0 | 0 | 0 | 112.7 | ||||
| 300 | A | 35.2 | Very low | 37.8 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | cis | -157.2 | 151.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 301 | L | 38.3 | Very low | 37.8 | Very low | 164 Ų | 164 | 125 Ų | 125 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 70.2 | -141.1 | 144.7 | -63.3 | 176.3 | 0 | 0 | 0 | 123 | ||||
| 302 | T | 35.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -143.9 | 168.2 | -130.3 | 51 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 303 | V | 36.3 | Very low | 36.6 | Very low | 144 Ų | 144 | 127 Ų | 127 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | -157.4 | -178 | 65.6 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 304 | K | 34.8 | Very low | 36.6 | Very low | 200 Ų | 200 | 126.5 Ų | 126.5 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | -122.2 | 124.3 | -156.6 | 165.6 | -164.2 | 175.8 | -174.4 | 0 | 115.8 | ||||
| 305 | A | 40.7 | Very low | 36.4 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -168.5 | 149.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 306 | K | 30.3 | Very low | 36.5 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | cis | 102.2 | 68.9 | 16 | -169.5 | 56.7 | -178.8 | -177.1 | 0 | 116.6 | ||||
| 307 | A | 36 | Very low | 36.5 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -155.6 | 138.5 | 149.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 308 | T | 34.6 | Very low | 37.4 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | cis | 74.8 | 81.6 | 45.9 | -55.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 309 | S | 38.2 | Very low | 36.9 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | -177.4 | 126.6 | 128 | 57.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 310 | S | 38.8 | Very low | 36.1 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 20.5 | 145.5 | 135.8 | -46.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 311 | A | 35.4 | Very low | 36.1 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | cis | -168.1 | 146.5 | -10.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 312 | T | 32.3 | Very low | 35.9 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | 55.5 | 117.3 | 91.7 | -37.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 313 | T | 32.7 | Very low | 35.7 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | cis | -167.5 | 166.3 | 8.8 | 13.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 314 | T | 31.4 | Very low | 35.5 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 52.6 | 119.5 | 147.3 | 55.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 315 | A | 31.8 | Very low | 35.6 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -7.9 | 152.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 316 | T | 34.4 | Very low | 35.8 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | -177.9 | 163.9 | 112.9 | -70 | 0 | 0 | 0 | 0 | 111 | |||||
| 317 | T | 36.3 | Very low | 35.8 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -101.3 | -160.6 | 180 | 53.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 318 | P | 57.4 | Low | 35.8 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | -124.5 | -164.5 | -76.3 | 36.5 | -19 | 0 | 0 | 0 | 113.8 | |||||
| 319 | K | 30.6 | Very low | 36.3 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | 111.2 | 118.3 | 138 | -159.1 | 175.7 | -176.4 | 178.6 | 0 | 121.3 | ||||
| 320 | L | 36.5 | Very low | 35.9 | Very low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | 57.3 | 122.4 | 147.9 | -68.2 | 173.8 | 0 | 0 | 0 | 124.2 | ||||
| 321 | R | 36.4 | Very low | 35.7 | Very low | 237 Ų | 237 | 140.7 Ų | 140.7 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | 173.3 | 131.5 | 119.6 | -91.8 | 158 | 174.7 | 130.3 | -6 | 108.3 | |||||
| 322 | R | 33.6 | Very low | 35.6 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | 75.1 | 120.9 | 60.3 | 179.3 | 178.7 | -80.4 | -133.1 | 0.6 | 114.1 | |||||
| 323 | L | 30.8 | Very low | 35.8 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | 145.2 | 148.5 | 160.4 | -84 | 168.9 | 0 | 0 | 0 | 107.9 | ||||
| 324 | A | 31.6 | Very low | 35.9 | Very low | 84 Ų | 84 | 147.8 Ų | 147.8 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | cis | -149.3 | 177.6 | 1.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 325 | L | 36.9 | Very low | 36.8 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -110.7 | 155.6 | 161.9 | -94.9 | 88.2 | 0 | 0 | 0 | 108.3 | ||||
| 326 | P | 45 | Very low | 36.7 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | -135.6 | -173.6 | 68.9 | 29.5 | -6.1 | 0 | 0 | 0 | 113.1 | |||||
| 327 | S | 32.1 | Very low | 36.8 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | cis | -151.8 | -174.6 | 22.4 | -160.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 328 | R | 34.9 | Very low | 37.2 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -123.5 | -173.4 | -179.7 | -118.9 | -170.9 | 170.6 | -168.4 | -2.3 | 109.1 | ||||
| 329 | P | 45.8 | Very low | 36.8 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | cis | -136.2 | -175.2 | 2.8 | 41.5 | -22.4 | 0 | 0 | 0 | 116.8 | ||||
| 330 | G | 28.4 | Very low | 37.6 | Very low | 69 Ų | 69 | 149.6 Ų | 149.6 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 135.6 | 102.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 331 | L | 36.3 | Very low | 38 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | 70.4 | 105.5 | 52.2 | -154.8 | 75.7 | 0 | 0 | 0 | 110.7 | |||||
| 332 | E | 33.3 | Very low | 38.7 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 58% | 0.579 | 78% | 0.778 | S | S | * | * | -150.1 | 159.6 | 72.9 | -90.2 | -79.5 | 87.3 | 0 | 0 | 116.2 | |||||
| 333 | K | 35.3 | Very low | 39.5 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | -13.9 | 155.6 | 156.4 | -57.8 | 175.9 | -169.6 | 77.9 | 0 | 117.9 | ||||
| 334 | K | 35 | Very low | 40.4 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | cis | -179.4 | -167 | -12.8 | -139.7 | -151.6 | 143.5 | -143.2 | 0 | 104.5 | ||||
| 335 | P | 49.8 | Very low | 41.2 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 57% | 0.565 | 78% | 0.784 | S | S | * | * | trans | -129.8 | -139.5 | -140.4 | 37.8 | -11.3 | 0 | 0 | 0 | 114.5 | ||||
| 336 | D | 29.4 | Very low | 41.6 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 87.3 | 145.1 | 167 | -47.7 | -35.7 | 0 | 0 | 0 | 117.2 | ||||
| 337 | S | 36.9 | Very low | 41.6 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | -173.5 | 109.3 | -54.6 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 338 | L | 44.6 | Very low | 41.9 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | 58.5 | 179.1 | 161.9 | -58 | 178.7 | 0 | 0 | 0 | 116.7 | ||||
| 339 | P | 50.2 | Low | 42.1 | Very low | 119 Ų | 119 | 145 Ų | 145 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | cis | -119.7 | -172.5 | -16.1 | 31.3 | -10.9 | 0 | 0 | 0 | 114 | ||||
| 340 | K | 46.6 | Very low | 41.7 | Very low | 205 Ų | 205 | 144 Ų | 144 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -80.5 | 148.7 | 178.8 | -63.7 | 159.8 | 178.2 | 171.1 | 0 | 112.4 | ||||
| 341 | V | 45.3 | Very low | 42 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -127.2 | 127.4 | 163.6 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 342 | S | 50.3 | Low | 42 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -40.1 | 141.2 | 175.7 | -169.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 343 | I | 50.6 | Low | 42.1 | Very low | 166 Ų | 166 | 145 Ų | 145 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -100.1 | 91 | 166.1 | -57 | 171.2 | 0 | 0 | 0 | 108.8 | ||||
| 344 | L | 49.4 | Very low | 42.2 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -157.7 | 44.7 | 173.8 | -149.5 | 75.9 | 0 | 0 | 0 | 117.3 | ||||
| 345 | Q | 50.1 | Low | 42 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -150.8 | 88.5 | 168.4 | -149.3 | 171.9 | 17.1 | 0 | 0 | 116.1 | ||||
| 346 | R | 45.2 | Very low | 41.5 | Very low | 255 Ų | 255 | 142.6 Ų | 142.6 | 96% | 0.962 | 81% | 0.809 | S | S | * | * | trans | -158.2 | 44.8 | 154.9 | -133.7 | 170.9 | 175.9 | -172.9 | -4.3 | 115 | G348 | R346-G348 PolarHBondContact O-N 3.15Š| ||
| 347 | L | 44.7 | Very low | 41.9 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -83.9 | 88.5 | 174.9 | -170.2 | 72.3 | 0 | 0 | 0 | 111.2 | ||||
| 348 | G | 37.4 | Very low | 41.9 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | -76.8 | 127.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R346 | R346-G348 PolarHBondContact O-N 3.15Š| ||
| 349 | K | 40.6 | Very low | 42.3 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -123 | 151 | 163.5 | -111 | 73.3 | 171.3 | -174.5 | 0 | 108.4 | ||||
| 350 | A | 35.7 | Very low | 41.6 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -83.4 | 159.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 351 | A | 35.1 | Very low | 40.9 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -135 | 150.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 352 | V | 37.3 | Very low | 40.5 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -116 | 135.3 | -178.2 | 170.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 353 | V | 34.9 | Very low | 39.8 | Very low | 143 Ų | 143 | 143 Ų | 143 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -140.1 | 138.3 | 160.7 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 354 | S | 37.4 | Very low | 39.4 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | trans | -105.2 | 156.9 | 170.4 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 355 | E | 30.3 | Very low | 38.8 | Very low | 199 Ų | 199 | 143 Ų | 143 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | -173.8 | 174.1 | 120.7 | -159.3 | 134.9 | 109.2 | 0 | 0 | 109.6 | |||||
| 356 | A | 38.8 | Very low | 38.2 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -100.4 | 165.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 357 | Q | 38.6 | Very low | 38.4 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -148.6 | 155.5 | 140.9 | -95.9 | -67.2 | -44.8 | 0 | 0 | 108 | ||||
| 358 | D | 37.5 | Very low | 37.9 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | -110.6 | 154.9 | -166.9 | -167.4 | 1.6 | 0 | 0 | 0 | 111.8 | ||||
| 359 | S | 51.3 | Low | 38 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -168.1 | 124.7 | 162.2 | 26.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 360 | Q | 36 | Very low | 38.1 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -92.6 | -167.7 | 178.5 | -61.7 | -165.7 | 13.7 | 0 | 0 | 112.8 | ||||
| 361 | V | 31.6 | Very low | 38.1 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 98.4 | 120.1 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 362 | T | 37.2 | Very low | 38.5 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | cis | -158 | 154.5 | -11.8 | 18.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 363 | S | 35.3 | Very low | 38.8 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 31.5 | 121.1 | 143.5 | -169.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 364 | T | 43.2 | Very low | 39.7 | Very low | 142 Ų | 142 | 139 Ų | 139 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | -157.5 | 152.7 | 112 | -80 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 365 | K | 37.5 | Very low | 40.5 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -89 | 144.9 | -161.9 | -179.1 | 179.9 | 175 | -177.1 | 0 | 114.1 | ||||
| 366 | S | 36.9 | Very low | 42.1 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -25.8 | 162.2 | 158.2 | 31 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 367 | P | 48.2 | Very low | 42.9 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | cis | -146.3 | 173.4 | 39.7 | 43 | -23 | 0 | 0 | 0 | 120.7 | ||||
| 368 | T | 35.6 | Very low | 43.8 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -56.6 | 140.4 | 173.4 | -51.3 | 0 | 0 | 0 | 0 | 115.2 | R370 | T368-R370 HydrophobicContact CG2-CG 4.46Š| ||
| 369 | V | 39.5 | Very low | 44.5 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -124.1 | 132.4 | 150.2 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 370 | R | 41.3 | Very low | 44 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | -87.5 | 106.8 | 173.8 | -74.6 | -179.3 | 173 | 177 | -2.6 | 109.7 | T368 I372 | T368-R370 HydrophobicContact CG2-CG 4.46Å; R370-I372 PolarHBondContact O-N 3.2Å | ||
| 371 | C | 37.2 | Very low | 44.3 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -75.4 | 102.8 | 167.7 | -65 | 0 | 0 | 0 | 0 | 109.7 | L373 | C371-L373 PolarHBondContact O-N 3.16Š| ||
| 372 | I | 43.8 | Very low | 44.8 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 117.2 | 168.5 | -62.1 | 172.5 | 0 | 0 | 0 | 107.3 | R370 | R370-I372 PolarHBondContact O-N 3.2Š|
| 373 | L | 43.3 | Very low | 45.2 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 129 | 172.4 | -169.7 | 73.6 | 0 | 0 | 0 | 108.7 | C371 | C371-L373 PolarHBondContact O-N 3.16Š|
| 374 | P | 54.4 | Low | 45.6 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 148.1 | 178.6 | 30 | -34.6 | 0 | 0 | 0 | 111.8 | ||
| 375 | D | 53.2 | Low | 46 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 148.1 | 177.8 | -82.2 | -59.3 | 0 | 0 | 0 | 113.1 | ||
| 376 | P | 64.3 | Low | 46.8 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 145 | 174.1 | 29.7 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 377 | P | 56.3 | Low | 47.2 | Very low | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67 | 138.6 | -176.1 | 27.2 | -34.9 | 0 | 0 | 0 | 112.5 | ||
| 378 | A | 57.3 | Low | 47.2 | Very low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 379 | P | 51.8 | Low | 47.7 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 138.1 | 178.9 | 28.3 | -34.6 | 0 | 0 | 0 | 111.8 | ||
| 380 | L | 40.5 | Very low | 47.7 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 145.9 | 178.2 | -74.6 | 168.4 | 0 | 0 | 0 | 112.4 | S382 | L380-S382 PolarHBondContact O-N 3.13Š|
| 381 | A | 42.6 | Very low | 48 | Very low | 98 Ų | 98 | 158.3 Ų | 158.3 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 124.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q383 | A381-Q383 PolarHBondContact O-N 3.09Š|
| 382 | S | 41.2 | Very low | 48.3 | Very low | 103 Ų | 103 | 163.9 Ų | 163.9 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 117.4 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 111 | L380 R384 | L380-S382 PolarHBondContact O-N 3.13Å; S382-R384 PolarHBondContact O-N 3.08Å |
| 383 | Q | 45.1 | Very low | 48.4 | Very low | 187 Ų | 187 | 162.6 Ų | 162.6 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -58.8 | 92.4 | 169.1 | -76.3 | -95 | 31.2 | 0 | 0 | 110.5 | A381 | A381-Q383 PolarHBondContact O-N 3.09Š| ||
| 384 | R | 44.9 | Very low | 48.5 | Very low | 214 Ų | 214 | 160.8 Ų | 160.8 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 130.6 | 171.9 | -76.2 | -176.4 | 170.1 | 179.5 | -1.7 | 110.1 | S382 | S382-R384 PolarHBondContact O-N 3.08Š|
| 385 | P | 51.9 | Low | 48.3 | Very low | 110 Ų | 110 | 165 Ų | 165 | 71% | 0.714 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 150.4 | 174.9 | 28 | -34.8 | 0 | 0 | 0 | 111.1 | R387 | P385-R387 PolarHBondContact O-N 3.11Š|
| 386 | P | 53.8 | Low | 47.8 | Very low | 126 Ų | 126 | 165 Ų | 165 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 126.4 | -173.8 | 25 | -34.1 | 0 | 0 | 0 | 111.7 | R388 | P386-R388 PolarHBondContact O-N 2.92Š|
| 387 | R | 45.4 | Very low | 46.7 | Very low | 241 Ų | 241 | 169.9 Ų | 169.9 | 91% | 0.909 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121.7 | 173.3 | -78 | -174.5 | 163.3 | -150.3 | -5.1 | 109.8 | P385 R389 | P385-R387 PolarHBondContact O-N 3.11Å; R387-R389 PolarHBondContact O-N 2.89Å; R387-R389 VanDerWaalsContact O-N 3.14Å |
| 388 | R | 47.6 | Very low | 46.3 | Very low | 230 Ų | 230 | 172 Ų | 172 | 87% | 0.868 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 117.5 | 173.8 | -72 | -177.7 | 177 | -102.2 | 0.4 | 109.8 | P386 W390 | P386-R388 PolarHBondContact O-N 2.92Å; R388-W390 PolarHBondContact O-N 3.41Å; R388-W390 VanDerWaalsContact O-N 3.09Å |
| 389 | R | 45.5 | Very low | 45.7 | Very low | 229 Ų | 229 | 176.3 Ų | 176.3 | 86% | 0.864 | 87% | 0.867 | S | S | * | * | trans | -69.3 | 101 | 172.9 | 179.2 | -173.6 | -76.8 | -122.5 | 3.7 | 108.9 | R387 R391 | R387-R389 PolarHBondContact O-N 2.89Å; R387-R389 VanDerWaalsContact O-N 3.14Å; R389-R391 PolarHBondContact O-N 2.59Å; R389-R391 VanDerWaalsContact O-N 3.16Å | ||
| 390 | W | 40.9 | Very low | 45.3 | Very low | 241 Ų | 241 | 179.1 Ų | 179.1 | 91% | 0.913 | 87% | 0.87 | S | S | * | * | trans | -60.8 | 114.7 | 166.8 | -73.5 | 85.2 | 0 | 0 | 0 | 109 | R388 | R388-W390 PolarHBondContact O-N 3.41Å; R388-W390 VanDerWaalsContact O-N 3.09Å | ||
| 391 | R | 46.2 | Very low | 45.6 | Very low | 217 Ų | 217 | 179.4 Ų | 179.4 | 82% | 0.819 | 87% | 0.867 | S | S | * | * | trans | -74.3 | 123.5 | 169.1 | -67.4 | -175.2 | -174.9 | -101.6 | 5.9 | 107.6 | R389 T393 | R389-R391 PolarHBondContact O-N 2.59Å; R389-R391 VanDerWaalsContact O-N 3.16Å; R391-T393 PolarHBondContact O-N 2.93Å | ||
| 392 | R | 43.3 | Very low | 45.8 | Very low | 240 Ų | 240 | 184.4 Ų | 184.4 | 91% | 0.906 | 87% | 0.871 | S | S | * | * | trans | -73.1 | 112.4 | 158 | -86.6 | -175 | -82 | -164.5 | -4 | 107.4 | C394 | R392-C394 PolarHBondContact O-N 3.07Š| ||
| 393 | T | 47.7 | Very low | 46.1 | Very low | 130 Ų | 130 | 189.9 Ų | 189.9 | 80% | 0.798 | 88% | 0.881 | S | S | * | * | trans | -88 | 90.7 | 165.3 | 46 | 0 | 0 | 0 | 0 | 108.3 | R391 | R391-T393 PolarHBondContact O-N 2.93Š| ||
| 394 | C | 43.6 | Very low | 46.2 | Very low | 120 Ų | 120 | 190.1 Ų | 190.1 | 81% | 0.811 | 88% | 0.881 | S | S | * | * | trans | -78.5 | 124 | 152.1 | -59.9 | 0 | 0 | 0 | 0 | 106.6 | R392 | R392-C394 PolarHBondContact O-N 3.07Š| ||
| 395 | K | 51.1 | Low | 46.3 | Very low | 196 Ų | 196 | 188.2 Ų | 188.2 | 85% | 0.852 | 89% | 0.887 | S | S | * | * | trans | -156.9 | 145.5 | 157.3 | -127.4 | -172.5 | 179.2 | -165.1 | 0 | 109.6 | ||||
| 396 | D | 43.5 | Very low | 45.8 | Very low | 155 Ų | 155 | 194.8 Ų | 194.8 | 83% | 0.829 | 90% | 0.902 | S | S | * | * | trans | -86.5 | 138.5 | -163.8 | -41 | -99.2 | 0 | 0 | 0 | 111.7 | ||||
| 397 | C | 41.3 | Very low | 45.1 | Very low | 212 Ų | 212 | 201 Ų | 201 | 100% | 1.432 | 91% | 0.909 | S | S | * | * | trans | -176.2 | 0 | 148.2 | -100.1 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 397 of 397 residues in 487 ms
(Link to these results)