| 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 | 33.8 | Very low | 40.8 | Very low | 246 Ų | 246 | 145.6 Ų | 145.6 | 100% | 1.212 | 84% | 0.841 | S | S | * | * | 0 | 130.2 | 0 | -74.9 | 158.2 | 75.7 | 0 | 0 | 106.9 | |||||
| 2 | G | 42.8 | Very low | 41.3 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | -78.6 | -178 | -154.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 3 | T | 33.6 | Very low | 41.5 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | -178.1 | 100.2 | 149.8 | 16.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 4 | L | 36.2 | Very low | 42.5 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | 93.6 | 113 | 91.5 | -86.8 | 177.7 | 0 | 0 | 0 | 112.5 | |||||
| 5 | A | 45.2 | Very low | 43.3 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -57.8 | 140.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | L | 44.4 | Very low | 44.3 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | -162.5 | 88.5 | 151.2 | -134.5 | 100.6 | 0 | 0 | 0 | 110.8 | ||||
| 7 | C | 39.5 | Very low | 45.6 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 92% | 0.919 | 74% | 0.744 | S | S | * | * | trans | -171.9 | 82.8 | 152.4 | -104.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 8 | S | 42.7 | Very low | 46.6 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -157.3 | 40.7 | 163.6 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 9 | H | 42.2 | Very low | 48.2 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -132.1 | -2.5 | 179.3 | -119.5 | -84.9 | 0 | 0 | 0 | 115 | ||
| 10 | Y | 40.8 | Very low | 49.5 | Very low | 217 Ų | 217 | 129.6 Ų | 129.6 | 85% | 0.851 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -91.2 | -26.4 | -174 | -150.5 | -96.7 | 0 | 0 | 0 | 114.1 | ||
| 11 | S | 47.4 | Very low | 50.7 | Low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -80.2 | -33.8 | -176.5 | 50.2 | 0 | 0 | 0 | 0 | 114 | L13 | S11-L13 PolarHBondContact O-N 3.38Å |
| 12 | Q | 46.9 | Very low | 52.6 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 62% | 0.617 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.5 | -28 | -176.5 | -116.6 | -168.2 | 0.6 | 0 | 0 | 113.9 | ||
| 13 | L | 43.8 | Very low | 54.2 | Low | 101 Ų | 101 | 120.4 Ų | 120.4 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -79.9 | -26.9 | -178.8 | -159.9 | 71.2 | 0 | 0 | 0 | 112.3 | S11 R17 | S11-L13 PolarHBondContact O-N 3.38Å; L13-R17 VanDerWaalsContact O-CG 3.3Å; L13-R17 WeakPolarHBondContact O-CG 3.44Å; L13-R17 PolarHBondContact O-N 3.02Å |
| 14 | S | 55.4 | Low | 56.1 | Low | 70 Ų | 70 | 118.8 Ų | 118.8 | 49% | 0.49 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.7 | -48.2 | 179.2 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | K16 R17 S18 | S14-K16 PolarHBondContact O-N 3.09Å; S14-R17 PolarHBondContact O-N 3.22Å; S14-S18 PolarHBondContact O-N 3Å; S14-S18 PolarHBondContact O-OG 3.04Å |
| 15 | W | 54.2 | Low | 57.7 | Low | 167 Ų | 167 | 115.8 Ų | 115.8 | 63% | 0.633 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.9 | -47 | 180 | 178 | -96.5 | 0 | 0 | 0 | 112.8 | R17 S18 V19 | W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 3.44Å; W15-S18 PolarHBondContact O-N 3.45Å; W15-V19 HydrophobicContact CD2-CG2 4.41Å; W15-V19 HydrophobicContact CZ2-CG2 4.38Å; W15-V19 WeakPolarHBondContact O-CG2 3.45Å; W15-V19 PolarHBondContact O-N 2.98Å |
| 16 | K | 60 | Low | 58.9 | Low | 121 Ų | 121 | 118 Ų | 118 | 53% | 0.526 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.7 | -38.6 | 179.2 | -67.8 | -178.1 | -179.9 | -177.7 | 0 | 111.8 | S14 I20 | S14-K16 PolarHBondContact O-N 3.09Å; K16-I20 WeakPolarHBondContact O-CD1 3.48Å; K16-I20 WeakPolarHBondContact O-CG1 3.43Å; K16-I20 PolarHBondContact O-N 3.43Å; K16-I20 VanDerWaalsContact O-N 3.08Å |
| 17 | R | 66.1 | Low | 59.9 | Low | 162 Ų | 162 | 115.6 Ų | 115.6 | 61% | 0.611 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.6 | -42 | 175.9 | -74.5 | 178.4 | 179.2 | -162.6 | 0.4 | 111.9 | L13 S14 W15 V19 I20 V21 | L13-R17 VanDerWaalsContact O-CG 3.3Å; L13-R17 WeakPolarHBondContact O-CG 3.44Å; L13-R17 PolarHBondContact O-N 3.02Å; S14-R17 PolarHBondContact O-N 3.22Å; W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 3.44Å; R17-V19 PolarHBondContact O-N 3.45Å; R17-I20 PolarHBondContact O-N 3.48Å; R17-V21 WeakPolarHBondContact O-CB 3.34Å; R17-V21 VanDerWaalsContact O-CG2 3.26Å; R17-V21 WeakPolarHBondContact O-CG2 3.31Å; R17-V21 PolarHBondContact O-N 3.31Å |
| 18 | S | 64.1 | Low | 61 | Low | 70 Ų | 70 | 114.6 Ų | 114.6 | 49% | 0.49 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.8 | -39.3 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | S14 W15 V21 A22 | S14-S18 PolarHBondContact O-N 3Å; S14-S18 PolarHBondContact O-OG 3.04Å; W15-S18 PolarHBondContact O-N 3.45Å; S18-V21 PolarHBondContact O-N 3.02Å; S18-A22 WeakPolarHBondContact O-CB 3.43Å; S18-A22 PolarHBondContact O-N 2.79Å |
| 19 | V | 75.8 | Confident | 61.7 | Low | 65 Ų | 65 | 113.1 Ų | 113.1 | 39% | 0.394 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -43.4 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | W15 R17 A22 M23 | W15-V19 HydrophobicContact CD2-CG2 4.41Å; W15-V19 HydrophobicContact CZ2-CG2 4.38Å; W15-V19 WeakPolarHBondContact O-CG2 3.45Å; W15-V19 PolarHBondContact O-N 2.98Å; R17-V19 PolarHBondContact O-N 3.45Å; V19-A22 PolarHBondContact O-N 3.19Å; V19-M23 HydrophobicContact CG1-CG 4.43Å; V19-M23 WeakPolarHBondContact O-CB 3.44Å; V19-M23 VanDerWaalsContact O-CG 3.24Å; V19-M23 WeakPolarHBondContact O-CG 3.39Å; V19-M23 PolarHBondContact O-N 2.93Å |
| 20 | I | 74.6 | Confident | 62.3 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -41.7 | 177.6 | -68 | 164.6 | 0 | 0 | 0 | 111.2 | K16 R17 M23 L24 | K16-I20 WeakPolarHBondContact O-CD1 3.48Å; K16-I20 WeakPolarHBondContact O-CG1 3.43Å; K16-I20 PolarHBondContact O-N 3.43Å; K16-I20 VanDerWaalsContact O-N 3.08Å; R17-I20 PolarHBondContact O-N 3.48Å; I20-M23 PolarHBondContact O-N 2.83Å; I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 3.05Å |
| 21 | V | 75.2 | Confident | 62.9 | Low | 81 Ų | 81 | 103.7 Ų | 103.7 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | R17 S18 L24 L25 | R17-V21 WeakPolarHBondContact O-CB 3.34Å; R17-V21 VanDerWaalsContact O-CG2 3.26Å; R17-V21 WeakPolarHBondContact O-CG2 3.31Å; R17-V21 PolarHBondContact O-N 3.31Å; S18-V21 PolarHBondContact O-N 3.02Å; V21-L24 PolarHBondContact O-N 2.86Å; V21-L25 HydrophobicContact CG1-CD1 3.84Å; V21-L25 HydrophobicContact CG1-CG 4.48Å; V21-L25 WeakPolarHBondContact O-CB 3.2Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3.16Å |
| 22 | A | 73.1 | Confident | 63.1 | Low | 56 Ų | 56 | 106.8 Ų | 106.8 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S18 V19 L25 F26 | S18-A22 WeakPolarHBondContact O-CB 3.43Å; S18-A22 PolarHBondContact O-N 2.79Å; V19-A22 PolarHBondContact O-N 3.19Å; A22-L25 PolarHBondContact O-N 3.12Å; A22-F26 VanDerWaalsContact O-CB 3.26Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 3.4Å |
| 23 | M | 76 | Confident | 63.2 | Low | 118 Ų | 118 | 106 Ų | 106 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -38.9 | 175.7 | -70.7 | -68.1 | -78.4 | 0 | 0 | 112.1 | V19 I20 F26 H27 | V19-M23 HydrophobicContact CG1-CG 4.43Å; V19-M23 WeakPolarHBondContact O-CB 3.44Å; V19-M23 VanDerWaalsContact O-CG 3.24Å; V19-M23 WeakPolarHBondContact O-CG 3.39Å; V19-M23 PolarHBondContact O-N 2.93Å; I20-M23 PolarHBondContact O-N 2.83Å; M23-F26 PolarHBondContact O-N 3.07Å; M23-H27 WeakPolarHBondContact O-CB 3.43Å; M23-H27 PolarHBondContact O-N 2.96Å |
| 24 | L | 74.2 | Confident | 63.6 | Low | 99 Ų | 99 | 112.4 Ų | 112.4 | 52% | 0.518 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.8 | -43 | 174.9 | -81.2 | 162.8 | 0 | 0 | 0 | 112.2 | I20 V21 H27 L28 | I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 WeakPolarHBondContact O-CB 3.43Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 3.05Å; V21-L24 PolarHBondContact O-N 2.86Å; L24-H27 PolarHBondContact O-N 3.43Å; L24-L28 WeakPolarHBondContact O-CD1 3.28Å; L24-L28 PolarHBondContact O-N 3.32Å |
| 25 | L | 69.3 | Low | 63.7 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -38.5 | 175.6 | -77.7 | 166.1 | 0 | 0 | 0 | 111.9 | V21 A22 L28 C29 | V21-L25 HydrophobicContact CG1-CD1 3.84Å; V21-L25 HydrophobicContact CG1-CG 4.48Å; V21-L25 WeakPolarHBondContact O-CB 3.2Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3.16Å; A22-L25 PolarHBondContact O-N 3.12Å; L25-L28 PolarHBondContact O-N 3.33Å; L25-C29 WeakPolarHBondContact O-CB 3.48Å; L25-C29 PolarHBondContact O-N 3.46Å; L25-C29 PolarHBondContact O-SG 2.94Å |
| 26 | F | 71.8 | Confident | 64.7 | Low | 137 Ų | 137 | 107.2 Ų | 107.2 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.7 | -44.5 | 173.8 | -175.6 | -101.7 | 0 | 0 | 0 | 111.2 | A22 M23 L28 C29 C30 | A22-F26 VanDerWaalsContact O-CB 3.26Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 3.4Å; M23-F26 PolarHBondContact O-N 3.07Å; F26-L28 PolarHBondContact O-N 3.41Å; F26-C29 PolarHBondContact O-N 2.88Å; F26-C30 VanDerWaalsContact CE1-SG 3.6Å; F26-C30 WeakPolarHBondContact O-CB 3.26Å; F26-C30 PolarHBondContact O-N 2.96Å; F26-C30 PolarHBondContact O-SG 3.29Å |
| 27 | H | 65.3 | Low | 65.9 | Low | 124 Ų | 124 | 103.4 Ų | 103.4 | 57% | 0.574 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 173.6 | -115.5 | -54.3 | 0 | 0 | 0 | 111.9 | M23 L24 C29 C30 L31 | M23-H27 WeakPolarHBondContact O-CB 3.43Å; M23-H27 PolarHBondContact O-N 2.96Å; L24-H27 PolarHBondContact O-N 3.43Å; H27-C29 VanDerWaalsContact C-N 3.32Å; H27-C29 PolarHBondContact O-N 2.72Å; H27-C30 PolarHBondContact O-N 3.11Å; H27-L31 WeakPolarHBondContact O-CB 3.26Å; H27-L31 WeakPolarHBondContact O-CD1 3.4Å; H27-L31 PolarHBondContact O-N 3.48Å |
| 28 | L | 62 | Low | 67.1 | Low | 115 Ų | 115 | 103.7 Ų | 103.7 | 60% | 0.602 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.2 | -38.6 | 176 | -105.4 | 101.7 | 0 | 0 | 0 | 112.3 | L24 L25 F26 Q32 | L24-L28 WeakPolarHBondContact O-CD1 3.28Å; L24-L28 PolarHBondContact O-N 3.32Å; L25-L28 PolarHBondContact O-N 3.33Å; F26-L28 PolarHBondContact O-N 3.41Å; L28-Q32 VanDerWaalsContact O-CG 3.26Å; L28-Q32 WeakPolarHBondContact O-CG 3.32Å; L28-Q32 PolarHBondContact O-N 2.93Å |
| 29 | C | 57 | Low | 68.4 | Low | 79 Ų | 79 | 100.5 Ų | 100.5 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.2 | -43 | 176.3 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | L25 F26 H27 L31 Q32 V33 | L25-C29 WeakPolarHBondContact O-CB 3.48Å; L25-C29 PolarHBondContact O-N 3.46Å; L25-C29 PolarHBondContact O-SG 2.94Å; F26-C29 PolarHBondContact O-N 2.88Å; H27-C29 VanDerWaalsContact C-N 3.32Å; H27-C29 PolarHBondContact O-N 2.72Å; C29-L31 VanDerWaalsContact C-N 3.31Å; C29-L31 PolarHBondContact O-N 3.45Å; C29-Q32 PolarHBondContact O-N 3.18Å; C29-Q32 VanDerWaalsContact O-N 3.1Å; C29-V33 WeakPolarHBondContact O-CG2 3.47Å; C29-V33 PolarHBondContact O-N 3.48Å |
| 30 | C | 55.7 | Low | 69 | Low | 50 Ų | 50 | 103.3 Ų | 103.3 | 34% | 0.338 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -34.8 | 177 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | F26 H27 Q32 V33 | F26-C30 VanDerWaalsContact CE1-SG 3.6Å; F26-C30 WeakPolarHBondContact O-CB 3.26Å; F26-C30 PolarHBondContact O-N 2.96Å; F26-C30 PolarHBondContact O-SG 3.29Å; H27-C30 PolarHBondContact O-N 3.11Å; C30-Q32 VanDerWaalsContact C-N 3.26Å; C30-Q32 PolarHBondContact O-N 3.46Å; C30-V33 PolarHBondContact O-N 3.48Å |
| 31 | L | 53.2 | Low | 69.7 | Low | 131 Ų | 131 | 106 Ų | 106 | 69% | 0.686 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.4 | -25 | 173.8 | -91 | 141 | 0 | 0 | 0 | 113.3 | H27 C29 | H27-L31 WeakPolarHBondContact O-CB 3.26Å; H27-L31 WeakPolarHBondContact O-CD1 3.4Å; H27-L31 PolarHBondContact O-N 3.48Å; C29-L31 VanDerWaalsContact C-N 3.31Å; C29-L31 PolarHBondContact O-N 3.45Å |
| 32 | Q | 51.7 | Low | 70.4 | Confident | 160 Ų | 160 | 102.3 Ų | 102.3 | 75% | 0.748 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -84 | -22.7 | 177.5 | -66.9 | -85.1 | -40 | 0 | 0 | 112.8 | L28 C29 C30 W34 | L28-Q32 VanDerWaalsContact O-CG 3.26Å; L28-Q32 WeakPolarHBondContact O-CG 3.32Å; L28-Q32 PolarHBondContact O-N 2.93Å; C29-Q32 PolarHBondContact O-N 3.18Å; C29-Q32 VanDerWaalsContact O-N 3.1Å; C30-Q32 VanDerWaalsContact C-N 3.26Å; C30-Q32 PolarHBondContact O-N 3.46Å; Q32-W34 VanDerWaalsContact C-N 3.3Å; Q32-W34 PolarHBondContact O-N 3.5Å |
| 33 | V | 48.1 | Very low | 71.3 | Confident | 114 Ų | 114 | 101.3 Ų | 101.3 | 69% | 0.691 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10.3 | -174 | 173.6 | 0 | 0 | 0 | 0 | 113 | C29 C30 | C29-V33 WeakPolarHBondContact O-CG2 3.47Å; C29-V33 PolarHBondContact O-N 3.48Å; C30-V33 PolarHBondContact O-N 3.48Å |
| 34 | W | 52.1 | Low | 71.8 | Confident | 236 Ų | 236 | 98.3 Ų | 98.3 | 89% | 0.894 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 11.9 | -172 | -76.3 | 34.5 | 0 | 0 | 0 | 115.1 | Q32 | Q32-W34 VanDerWaalsContact C-N 3.3Å; Q32-W34 PolarHBondContact O-N 3.5Å |
| 35 | A | 57.3 | Low | 72.4 | Confident | 56 Ų | 56 | 96.6 Ų | 96.6 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | trans | -139.4 | 73.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | C37 A88 | A35-C37 PolarHBondContact O-N 3.02Å; A35-A88 HydrophobicContact CB-CB 3.92Å; A35-A88 WeakPolarHBondContact O-CB 3.47Å | ||
| 36 | S | 75.8 | Confident | 73.4 | Confident | 72 Ų | 72 | 92.9 Ų | 92.9 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | trans | -63.9 | 129.9 | 169.3 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | R38 | S36-R38 PolarHBondContact O-N 2.72Å; S36-R38 PolarHBondContact OG-NE 2.96Å | ||
| 37 | C | 86.2 | Confident | 74.2 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 28% | 0.277 | 46% | 0.462 | S | S | . | . | trans | -62 | 120.9 | 171.1 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | A35 C89 | A35-C37 PolarHBondContact O-N 3.02Å; C37-C89 WeakPolarHBondContact CA-SG 3.3Å; C37-C89 HydrophobicContact CB-CB 3.96Å; C37-C89 WeakPolarHBondContact CB-SG 3.24Å; C37-C89 VanDerWaalsContact SG-CA 3.55Å; C37-C89 WeakPolarHBondContact SG-CB 3.35Å; C37-C89 CovalentContact SG-SG 2.03Å; C37-C89 PolarHBondContact SG-SG 3.29Å | ||
| 38 | R | 89.9 | Confident | 74.9 | Confident | 168 Ų | 168 | 86.7 Ų | 86.7 | 63% | 0.634 | 46% | 0.457 | S | S | * | . | trans | -117.5 | 41.5 | 179.6 | -66.1 | -172.7 | -179.7 | -163.9 | 0.5 | 112.4 | S36 L40 R41 | S36-R38 PolarHBondContact O-N 2.72Å; S36-R38 PolarHBondContact OG-NE 2.96Å; R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 PolarHBondContact O-N 2.9Å; R38-R41 HydrophobicContact CB-CB 4.46Å; R38-R41 WeakPolarHBondContact O-CB 3.25Å; R38-R41 PolarHBondContact O-N 2.93Å; R38-R41 VanDerWaalsContact O-N 3.1Å | ||
| 39 | I | 91.9 | Very high | 75.9 | Confident | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.015 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.4 | -39.9 | -179.8 | 179.1 | 61.1 | 0 | 0 | 0 | 112.8 | R41 C42 N43 T82 V94 Y95 A98 | I39-R41 PolarHBondContact O-N 3.1Å; I39-R41 VanDerWaalsContact O-N 3.08Å; I39-C42 HydrophobicContact CD1-CB 4.3Å; I39-C42 WeakPolarHBondContact O-CB 3.47Å; I39-C42 PolarHBondContact O-N 3.31Å; I39-N43 WeakPolarHBondContact CD1-OD1 3.24Å; I39-N43 PolarHBondContact O-N 3.23Å; I39-N43 PolarHBondContact O-OD1 3.37Å; I39-N43 VanDerWaalsContact O-OD1 3.11Å; I39-T82 HydrophobicContact CD1-CG2 3.69Å; I39-V94 HydrophobicContact CG1-CG1 4.08Å; I39-V94 HydrophobicContact CG2-CB 4.05Å; I39-V94 HydrophobicContact CG2-CG1 4.08Å; I39-Y95 HydrophobicContact CD1-CD2 4.18Å; I39-A98 HydrophobicContact CD1-CB 3.79Å; I39-A98 HydrophobicContact CG1-CB 4.31Å |
| 40 | L | 89.4 | Confident | 77.1 | Confident | 125 Ų | 125 | 81 Ų | 81 | 65% | 0.654 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57 | -29.6 | 179.3 | -66.3 | 176 | 0 | 0 | 0 | 112.7 | R38 N43 S44 V94 | R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 PolarHBondContact O-N 2.9Å; L40-N43 PolarHBondContact O-N 3.38Å; L40-S44 WeakPolarHBondContact O-CB 3.33Å; L40-S44 PolarHBondContact O-N 2.92Å; L40-S44 PolarHBondContact O-OG 3.46Å; L40-V94 HydrophobicContact CD2-CG1 4.31Å |
| 41 | R | 88.1 | Confident | 78 | Confident | 157 Ų | 157 | 84.2 Ų | 84.2 | 59% | 0.592 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.9 | -44.9 | 174.9 | -176.4 | 63.9 | -165.5 | -162 | 1.1 | 112 | R38 I39 N43 S44 D45 | R38-R41 HydrophobicContact CB-CB 4.46Å; R38-R41 WeakPolarHBondContact O-CB 3.25Å; R38-R41 PolarHBondContact O-N 2.93Å; R38-R41 VanDerWaalsContact O-N 3.1Å; I39-R41 PolarHBondContact O-N 3.1Å; I39-R41 VanDerWaalsContact O-N 3.08Å; R41-N43 PolarHBondContact O-N 3.08Å; R41-S44 WeakPolarHBondContact CA-OG 3.41Å; R41-S44 PolarHBondContact O-N 3.32Å; R41-S44 PolarHBondContact O-OG 3.44Å; R41-D45 IonicContact CZ-OD1 3.24Å; R41-D45 VanDerWaalsContact CZ-OD1 3.24Å; R41-D45 IonicContact NE-OD1 2.96Å; R41-D45 PolarHBondContact NE-OD1 3.45Å; R41-D45 IonicContact NE-OD2 3.18Å; R41-D45 PolarHBondContact NE-OD2 3.34Å; R41-D45 IonicContact NH2-OD1 3.17Å; R41-D45 PolarHBondContact NH2-OD1 2.92Å; R41-D45 WeakPolarHBondContact O-CB 3.49Å; R41-D45 PolarHBondContact O-N 3.25Å |
| 42 | C | 90.8 | Very high | 78.4 | Confident | 4 Ų | 4 | 83 Ų | 83 | 3% | 0.027 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 173.9 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | I39 F46 Y78 C81 T82 | I39-C42 HydrophobicContact CD1-CB 4.3Å; I39-C42 WeakPolarHBondContact O-CB 3.47Å; I39-C42 PolarHBondContact O-N 3.31Å; C42-F46 PolarHBondContact O-N 3.05Å; C42-F46 VanDerWaalsContact O-N 3.12Å; C42-Y78 HydrophobicContact CB-CD2 3.99Å; C42-Y78 HydrophobicContact CB-CE2 3.91Å; C42-C81 VanDerWaalsContact CA-SG 3.53Å; C42-C81 HydrophobicContact CB-CB 3.81Å; C42-C81 WeakPolarHBondContact CB-SG 3.45Å; C42-C81 VanDerWaalsContact SG-C 3.5Å; C42-C81 WeakPolarHBondContact SG-CB 3.29Å; C42-C81 CovalentContact SG-SG 2.05Å; C42-C81 PolarHBondContact SG-SG 3.44Å; C42-T82 HydrophobicContact CB-CG2 4.26Å |
| 43 | N | 91.2 | Very high | 79.2 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 19% | 0.187 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 178.5 | -62 | 11.4 | 0 | 0 | 0 | 111.4 | I39 L40 R41 D45 F46 V47 Y78 | I39-N43 WeakPolarHBondContact CD1-OD1 3.24Å; I39-N43 PolarHBondContact O-N 3.23Å; I39-N43 PolarHBondContact O-OD1 3.37Å; I39-N43 VanDerWaalsContact O-OD1 3.11Å; L40-N43 PolarHBondContact O-N 3.38Å; R41-N43 PolarHBondContact O-N 3.08Å; N43-D45 VanDerWaalsContact C-N 3.31Å; N43-D45 PolarHBondContact O-N 2.91Å; N43-F46 PolarHBondContact O-N 3.32Å; N43-V47 WeakPolarHBondContact O-CG2 3.49Å; N43-V47 PolarHBondContact O-N 3.43Å; N43-Y78 WeakPolarHBondContact OD1-CE2 3.37Å; N43-Y78 PolarHBondContact OD1-OH 2.9Å |
| 44 | S | 87.9 | Confident | 79.4 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 179.3 | 63.9 | 0 | 0 | 0 | 0 | 112 | L40 R41 V47 A48 | L40-S44 WeakPolarHBondContact O-CB 3.33Å; L40-S44 PolarHBondContact O-N 2.92Å; L40-S44 PolarHBondContact O-OG 3.46Å; R41-S44 WeakPolarHBondContact CA-OG 3.41Å; R41-S44 PolarHBondContact O-N 3.32Å; R41-S44 PolarHBondContact O-OG 3.44Å; S44-V47 PolarHBondContact O-N 3.41Å; S44-A48 VanDerWaalsContact O-CB 3.3Å; S44-A48 WeakPolarHBondContact O-CB 3.32Å; S44-A48 PolarHBondContact O-N 3.01Å |
| 45 | D | 86.4 | Confident | 79 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 34% | 0.337 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 179.4 | -67.8 | -16.2 | 0 | 0 | 0 | 110.9 | R41 N43 A48 V49 | R41-D45 IonicContact CZ-OD1 3.24Å; R41-D45 VanDerWaalsContact CZ-OD1 3.24Å; R41-D45 IonicContact NE-OD1 2.96Å; R41-D45 PolarHBondContact NE-OD1 3.45Å; R41-D45 IonicContact NE-OD2 3.18Å; R41-D45 PolarHBondContact NE-OD2 3.34Å; R41-D45 IonicContact NH2-OD1 3.17Å; R41-D45 PolarHBondContact NH2-OD1 2.92Å; R41-D45 WeakPolarHBondContact O-CB 3.49Å; R41-D45 PolarHBondContact O-N 3.25Å; N43-D45 VanDerWaalsContact C-N 3.31Å; N43-D45 PolarHBondContact O-N 2.91Å; D45-A48 PolarHBondContact O-N 2.86Å; D45-V49 VanDerWaalsContact O-CG2 3.28Å; D45-V49 WeakPolarHBondContact O-CG2 3.37Å; D45-V49 PolarHBondContact O-N 3.31Å; D45-V49 VanDerWaalsContact O-N 3.11Å |
| 46 | F | 89.6 | Confident | 78.3 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 174.5 | 174.7 | -107.5 | 0 | 0 | 0 | 112.7 | C42 N43 V49 T50 Y71 A74 L75 Y78 L105 | C42-F46 PolarHBondContact O-N 3.05Å; C42-F46 VanDerWaalsContact O-N 3.12Å; N43-F46 PolarHBondContact O-N 3.32Å; F46-V49 PolarHBondContact O-N 3.1Å; F46-T50 HydrophobicContact CD2-CG2 4.07Å; F46-T50 HydrophobicContact CE1-CG2 4.36Å; F46-T50 HydrophobicContact CE2-CG2 3.59Å; F46-T50 HydrophobicContact CZ-CG2 3.76Å; F46-T50 WeakPolarHBondContact O-CG2 3.49Å; F46-T50 PolarHBondContact O-N 2.86Å; F46-T50 PolarHBondContact O-OG1 3.5Å; F46-Y71 HydrophobicContact CZ-CE2 4.43Å; F46-A74 HydrophobicContact CD2-CB 4.2Å; F46-A74 HydrophobicContact CE2-CB 4.17Å; F46-L75 HydrophobicContact CE2-CD2 3.56Å; F46-L75 HydrophobicContact CE2-CG 3.87Å; F46-L75 HydrophobicContact CZ-CD2 3.61Å; F46-L75 HydrophobicContact CZ-CG 4.23Å; F46-Y78 HydrophobicContact CB-CD1 3.82Å; F46-Y78 HydrophobicContact CB-CD2 4.11Å; F46-Y78 HydrophobicContact CB-CE1 4.29Å; F46-Y78 HydrophobicContact CB-CG 3.74Å; F46-Y78 AromaticContact CD1-CD1 3.79Å; F46-Y78 HydrophobicContact CD1-CD1 3.79Å; F46-Y78 AromaticContact CD1-CE1 3.91Å; F46-Y78 HydrophobicContact CD1-CE1 3.91Å; F46-Y78 AromaticContact CD2-CD1 3.74Å; F46-Y78 HydrophobicContact CD2-CD1 3.74Å; F46-Y78 HydrophobicContact CD2-CG 4.05Å; F46-Y78 HydrophobicContact CE1-CD1 4.3Å; F46-Y78 HydrophobicContact CE1-CE1 4.43Å; F46-Y78 HydrophobicContact CE2-CD1 4.26Å; F46-Y78 AromaticContact CG-CD1 3.48Å; F46-Y78 HydrophobicContact CG-CD1 3.48Å; F46-Y78 VanDerWaalsContact CG-CD1 3.48Å; F46-Y78 HydrophobicContact CG-CE1 4.02Å; F46-Y78 AromaticContact CG-CG 3.87Å; F46-Y78 HydrophobicContact CG-CG 3.87Å; F46-L105 HydrophobicContact CE1-CD1 4.32Å; F46-L105 HydrophobicContact CZ-CD1 4.2Å |
| 47 | V | 88.2 | Confident | 76.8 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.3 | 172 | 0 | 0 | 0 | 0 | 110.2 | N43 S44 V49 T50 L51 | N43-V47 WeakPolarHBondContact O-CG2 3.49Å; N43-V47 PolarHBondContact O-N 3.43Å; S44-V47 PolarHBondContact O-N 3.41Å; V47-V49 VanDerWaalsContact C-N 3.29Å; V47-V49 PolarHBondContact O-N 3.4Å; V47-T50 WeakPolarHBondContact CA-OG1 3.34Å; V47-T50 PolarHBondContact O-N 3.22Å; V47-T50 VanDerWaalsContact O-N 3.11Å; V47-T50 PolarHBondContact O-OG1 3.25Å; V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 3.93Å; V47-L51 VanDerWaalsContact O-CG 3.24Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 3.43Å |
| 48 | A | 81.3 | Confident | 74.5 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 48% | 0.479 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S44 D45 | S44-A48 VanDerWaalsContact O-CB 3.3Å; S44-A48 WeakPolarHBondContact O-CB 3.32Å; S44-A48 PolarHBondContact O-N 3.01Å; D45-A48 PolarHBondContact O-N 2.86Å |
| 49 | V | 81.1 | Confident | 72 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 31% | 0.309 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.6 | -33.4 | 178 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | D45 F46 V47 L53 A74 A118 | D45-V49 VanDerWaalsContact O-CG2 3.28Å; D45-V49 WeakPolarHBondContact O-CG2 3.37Å; D45-V49 PolarHBondContact O-N 3.31Å; D45-V49 VanDerWaalsContact O-N 3.11Å; F46-V49 PolarHBondContact O-N 3.1Å; V47-V49 VanDerWaalsContact C-N 3.29Å; V47-V49 PolarHBondContact O-N 3.4Å; V49-L53 WeakPolarHBondContact O-CG 3.26Å; V49-A74 HydrophobicContact CB-CB 4.24Å; V49-A74 HydrophobicContact CG1-CB 3.5Å; V49-A74 VanDerWaalsContact CG1-CB 3.5Å; V49-A118 HydrophobicContact CG1-CB 4.34Å |
| 50 | T | 82.4 | Confident | 69.4 | Low | 22 Ų | 22 | 72.2 Ų | 72.2 | 14% | 0.135 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -89.3 | -22.3 | -174.8 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | F46 V47 D52 L53 G54 Y71 A74 | F46-T50 HydrophobicContact CD2-CG2 4.07Å; F46-T50 HydrophobicContact CE1-CG2 4.36Å; F46-T50 HydrophobicContact CE2-CG2 3.59Å; F46-T50 HydrophobicContact CZ-CG2 3.76Å; F46-T50 WeakPolarHBondContact O-CG2 3.49Å; F46-T50 PolarHBondContact O-N 2.86Å; F46-T50 PolarHBondContact O-OG1 3.5Å; V47-T50 WeakPolarHBondContact CA-OG1 3.34Å; V47-T50 PolarHBondContact O-N 3.22Å; V47-T50 VanDerWaalsContact O-N 3.11Å; V47-T50 PolarHBondContact O-OG1 3.25Å; T50-D52 VanDerWaalsContact C-N 3.31Å; T50-D52 PolarHBondContact O-N 3.11Å; T50-L53 CarbonylContact O-C 3.56Å; T50-L53 PolarHBondContact O-N 3.39Å; T50-L53 VanDerWaalsContact O-N 3.11Å; T50-G54 PolarHBondContact O-N 3.45Å; T50-Y71 HydrophobicContact CG2-CD2 3.71Å; T50-Y71 HydrophobicContact CG2-CE2 3.6Å; T50-A74 HydrophobicContact CG2-CB 4.02Å |
| 51 | L | 75.6 | Confident | 67.1 | Low | 119 Ų | 119 | 70.5 Ų | 70.5 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.5 | -42.8 | 176.4 | -80.1 | 169.5 | 0 | 0 | 0 | 112.5 | V47 L53 G54 | V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 3.93Å; V47-L51 VanDerWaalsContact O-CG 3.24Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 3.43Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 2.03Å; L51-G54 PolarHBondContact O-N 3.24Å |
| 52 | D | 61.9 | Low | 65 | Low | 104 Ų | 104 | 66.9 Ų | 66.9 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -21.3 | 179.4 | -68.5 | -22 | 0 | 0 | 0 | 113.2 | T50 G54 R121 | T50-D52 VanDerWaalsContact C-N 3.31Å; T50-D52 PolarHBondContact O-N 3.11Å; D52-G54 VanDerWaalsContact C-N 3.35Å; D52-R121 IonicContact OD2-CZ 3.79Å; D52-R121 IonicContact OD2-NH1 2.76Å; D52-R121 PolarHBondContact OD2-NH1 3.01Å |
| 53 | L | 67.8 | Low | 62.9 | Low | 71 Ų | 71 | 70.3 Ų | 70.3 | 37% | 0.372 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -18.1 | 173 | -56.6 | 174.8 | 0 | 0 | 0 | 111.4 | V49 T50 L51 | V49-L53 WeakPolarHBondContact O-CG 3.26Å; T50-L53 CarbonylContact O-C 3.56Å; T50-L53 PolarHBondContact O-N 3.39Å; T50-L53 VanDerWaalsContact O-N 3.11Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 2.03Å |
| 54 | G | 51.7 | Low | 61.1 | Low | 44 Ų | 44 | 72.6 Ų | 72.6 | 45% | 0.454 | 58% | 0.58 | S | S | . | * | trans | -94.1 | 7.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T50 L51 D52 S56 G57 | T50-G54 PolarHBondContact O-N 3.45Å; L51-G54 PolarHBondContact O-N 3.24Å; D52-G54 VanDerWaalsContact C-N 3.35Å; G54-S56 PolarHBondContact O-N 2.8Å; G54-G57 PolarHBondContact O-N 3.47Å | ||
| 55 | G | 44.9 | Very low | 59.6 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 78% | 0.784 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -6.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 56 | S | 43.3 | Very low | 58.2 | Low | 120 Ų | 120 | 85.9 Ų | 85.9 | 84% | 0.839 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 58.3 | 169.2 | -71.9 | 0 | 0 | 0 | 0 | 110.9 | G54 | G54-S56 PolarHBondContact O-N 2.8Š|
| 57 | G | 43.5 | Very low | 56.9 | Low | 71 Ų | 71 | 86.4 Ų | 86.4 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | trans | -80.4 | 119 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G54 | G54-G57 PolarHBondContact O-N 3.47Š| ||
| 58 | G | 38.3 | Very low | 56.2 | Low | 81 Ų | 81 | 86.4 Ų | 86.4 | 84% | 0.835 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 106.1 | 110.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 59 | G | 36.2 | Very low | 56.1 | Low | 81 Ų | 81 | 86.5 Ų | 86.5 | 84% | 0.835 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 93.4 | 109.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 60 | G | 36.9 | Very low | 56.2 | Low | 81 Ų | 81 | 85.2 Ų | 85.2 | 84% | 0.835 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 77.3 | 98.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 61 | G | 42.6 | Very low | 56.4 | Low | 89 Ų | 89 | 86.4 Ų | 86.4 | 92% | 0.918 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 44.7 | 92.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 62 | G | 43.8 | Very low | 57.1 | Low | 80 Ų | 80 | 81 Ų | 81 | 83% | 0.825 | 61% | 0.606 | S | S | * | * | trans | 143.1 | 48.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116 | S64 | G62-S64 PolarHBondContact O-N 2.94Š| ||
| 63 | G | 45.5 | Very low | 58.4 | Low | 77 Ų | 77 | 77 Ų | 77 | 79% | 0.794 | 59% | 0.586 | S | S | * | * | trans | -70.5 | 124.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R65 | G63-R65 PolarHBondContact O-N 3.22Š| ||
| 64 | S | 54.5 | Low | 59.5 | Low | 82 Ų | 82 | 73.7 Ų | 73.7 | 57% | 0.573 | 57% | 0.569 | S | S | * | * | trans | -49.6 | 134.7 | 171 | 174.8 | 0 | 0 | 0 | 0 | 110 | G62 E66 G67 N68 | G62-S64 PolarHBondContact O-N 2.94Å; S64-E66 PolarHBondContact O-N 3.49Å; S64-G67 PolarHBondContact O-N 3.46Å; S64-N68 PolarHBondContact O-N 3.36Å | ||
| 65 | R | 55.9 | Low | 61.5 | Low | 236 Ų | 236 | 71.6 Ų | 71.6 | 89% | 0.891 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -49.2 | -29 | 178.3 | -101.4 | 179.3 | 163.8 | 122.3 | -4 | 112.8 | G63 A69 | G63-R65 PolarHBondContact O-N 3.22Å; R65-A69 PolarHBondContact O-N 3.26Å |
| 66 | E | 56.3 | Low | 63.8 | Low | 162 Ų | 162 | 69 Ų | 69 | 76% | 0.757 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -76.2 | -37.9 | -176.7 | -155.7 | 163.5 | -167.1 | 0 | 0 | 113 | S64 A69 G70 | S64-E66 PolarHBondContact O-N 3.49Å; E66-A69 PolarHBondContact O-N 2.95Å; E66-G70 PolarHBondContact O-N 2.92Å; E66-G70 VanDerWaalsContact O-N 3.08Å |
| 67 | G | 62.7 | Low | 66 | Low | 36 Ų | 36 | 64.9 Ų | 64.9 | 37% | 0.371 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S64 G70 Y71 | S64-G67 PolarHBondContact O-N 3.46Å; G67-G70 PolarHBondContact O-N 3.37Å; G67-Y71 PolarHBondContact O-N 2.9Å |
| 68 | N | 73.5 | Confident | 68.4 | Low | 74 Ų | 74 | 62.5 Ų | 62.5 | 40% | 0.396 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 175.3 | -162.9 | 39.6 | 0 | 0 | 0 | 111.9 | S64 Y71 C72 | S64-N68 PolarHBondContact O-N 3.36Å; N68-Y71 PolarHBondContact O-N 3.31Å; N68-C72 PolarHBondContact O-N 2.9Å; N68-C72 PolarHBondContact O-SG 3.42Å |
| 69 | A | 79.4 | Confident | 71 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 49% | 0.488 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R65 E66 C72 S73 | R65-A69 PolarHBondContact O-N 3.26Å; E66-A69 PolarHBondContact O-N 2.95Å; A69-C72 PolarHBondContact O-N 3.39Å; A69-S73 WeakPolarHBondContact O-CB 3.01Å; A69-S73 PolarHBondContact O-N 2.9Å |
| 70 | G | 83.4 | Confident | 73.7 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 25% | 0.247 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E66 G67 S73 A74 | E66-G70 PolarHBondContact O-N 2.92Å; E66-G70 VanDerWaalsContact O-N 3.08Å; G67-G70 PolarHBondContact O-N 3.37Å; G70-S73 WeakPolarHBondContact O-CB 3.43Å; G70-S73 PolarHBondContact O-N 3.47Å; G70-A74 PolarHBondContact O-N 3.29Å |
| 71 | Y | 87 | Confident | 76.4 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.3 | -166 | -97.4 | 0 | 0 | 0 | 112.2 | F46 T50 G67 N68 S73 A74 L75 H109 | F46-Y71 HydrophobicContact CZ-CE2 4.43Å; T50-Y71 HydrophobicContact CG2-CD2 3.71Å; T50-Y71 HydrophobicContact CG2-CE2 3.6Å; G67-Y71 PolarHBondContact O-N 2.9Å; N68-Y71 PolarHBondContact O-N 3.31Å; Y71-S73 VanDerWaalsContact C-N 3.31Å; Y71-S73 PolarHBondContact O-N 2.92Å; Y71-A74 WeakPolarHBondContact O-CB 3.41Å; Y71-A74 PolarHBondContact O-N 3.36Å; Y71-L75 HydrophobicContact CD1-CD1 3.81Å; Y71-L75 HydrophobicContact CD1-CG 4.33Å; Y71-L75 HydrophobicContact CE1-CD1 3.58Å; Y71-L75 HydrophobicContact CE1-CG 4.08Å; Y71-L75 PolarHBondContact O-N 3.49Å; Y71-H109 HydrophobicContact CD1-CB 4.21Å; Y71-H109 AromaticContact CD1-CG 3.82Å; Y71-H109 AromaticContact CD1-ND1 3.92Å; Y71-H109 HydrophobicContact CE1-CB 4.3Å; Y71-H109 AromaticContact CE1-CD2 3.45Å; Y71-H109 VanDerWaalsContact CE1-CD2 3.45Å; Y71-H109 WeakPolarHBondContact CE1-CD2 3.18Å; Y71-H109 AromaticContact CE1-CE1 3.9Å; Y71-H109 AromaticContact CE1-CG 3.62Å; Y71-H109 AromaticContact CE1-ND1 3.9Å; Y71-H109 AromaticContact CE1-NE2 3.65Å |
| 72 | C | 90.2 | Very high | 78.8 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -32.7 | 174.9 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | N68 A69 R76 C111 | N68-C72 PolarHBondContact O-N 2.9Å; N68-C72 PolarHBondContact O-SG 3.42Å; A69-C72 PolarHBondContact O-N 3.39Å; C72-R76 WeakPolarHBondContact O-CG 3.15Å; C72-R76 PolarHBondContact O-N 3.38Å; C72-R76 VanDerWaalsContact O-N 3.13Å; C72-C111 WeakPolarHBondContact CA-SG 3.46Å; C72-C111 HydrophobicContact CB-CB 3.63Å; C72-C111 WeakPolarHBondContact CB-SG 3.42Å; C72-C111 WeakPolarHBondContact SG-CA 3.04Å; C72-C111 WeakPolarHBondContact SG-CB 3.44Å; C72-C111 CovalentContact SG-SG 2.04Å; C72-C111 PolarHBondContact SG-SG 2.04Å |
| 73 | S | 89.6 | Confident | 81.1 | Confident | 19 Ų | 19 | 60 Ų | 60 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 173 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | A69 G70 Y71 R76 S77 P116 A118 | A69-S73 WeakPolarHBondContact O-CB 3.01Å; A69-S73 PolarHBondContact O-N 2.9Å; G70-S73 WeakPolarHBondContact O-CB 3.43Å; G70-S73 PolarHBondContact O-N 3.47Å; Y71-S73 VanDerWaalsContact C-N 3.31Å; Y71-S73 PolarHBondContact O-N 2.92Å; S73-R76 PolarHBondContact O-N 3.46Å; S73-S77 PolarHBondContact O-N 3.3Å; S73-S77 PolarHBondContact O-OG 3.36Å; S73-P116 WeakPolarHBondContact CB-O 3.37Å; S73-P116 PolarHBondContact OG-O 2.88Å; S73-A118 PolarHBondContact O-N 3.48Å; S73-A118 VanDerWaalsContact OG-CA 3.31Å; S73-A118 WeakPolarHBondContact OG-CA 3.42Å; S73-A118 PolarHBondContact OG-N 3.23Å |
| 74 | A | 90.5 | Very high | 83.2 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F46 V49 T50 G70 Y71 R76 S77 Y78 | F46-A74 HydrophobicContact CD2-CB 4.2Å; F46-A74 HydrophobicContact CE2-CB 4.17Å; V49-A74 HydrophobicContact CB-CB 4.24Å; V49-A74 HydrophobicContact CG1-CB 3.5Å; V49-A74 VanDerWaalsContact CG1-CB 3.5Å; T50-A74 HydrophobicContact CG2-CB 4.02Å; G70-A74 PolarHBondContact O-N 3.29Å; Y71-A74 WeakPolarHBondContact O-CB 3.41Å; Y71-A74 PolarHBondContact O-N 3.36Å; A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 3.48Å; A74-S77 WeakPolarHBondContact O-CB 3.47Å; A74-S77 PolarHBondContact O-N 2.96Å; A74-Y78 PolarHBondContact O-N 2.84Å |
| 75 | L | 92.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 176 | -79.5 | 173 | 0 | 0 | 0 | 112.4 | F46 Y71 Y78 A79 L105 L106 | F46-L75 HydrophobicContact CE2-CD2 3.56Å; F46-L75 HydrophobicContact CE2-CG 3.87Å; F46-L75 HydrophobicContact CZ-CD2 3.61Å; F46-L75 HydrophobicContact CZ-CG 4.23Å; Y71-L75 HydrophobicContact CD1-CD1 3.81Å; Y71-L75 HydrophobicContact CD1-CG 4.33Å; Y71-L75 HydrophobicContact CE1-CD1 3.58Å; Y71-L75 HydrophobicContact CE1-CG 4.08Å; Y71-L75 PolarHBondContact O-N 3.49Å; L75-Y78 PolarHBondContact O-N 3.45Å; L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3.15Å; L75-L105 HydrophobicContact CD1-CB 3.97Å; L75-L105 HydrophobicContact CD2-CB 3.62Å; L75-L105 HydrophobicContact CD2-CD1 3.84Å; L75-L105 HydrophobicContact CD2-CG 4.38Å; L75-L105 HydrophobicContact CG-CB 4.47Å; L75-L106 HydrophobicContact CB-CD2 3.97Å; L75-L106 HydrophobicContact CD1-CD2 4.24Å |
| 76 | R | 93 | Very high | 86.3 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -39.3 | 175.5 | -77.4 | -172.1 | -94.2 | 93.4 | 1 | 112.4 | C72 S73 A74 Y78 A79 M80 P112 G115 P116 T117 | C72-R76 WeakPolarHBondContact O-CG 3.15Å; C72-R76 PolarHBondContact O-N 3.38Å; C72-R76 VanDerWaalsContact O-N 3.13Å; S73-R76 PolarHBondContact O-N 3.46Å; A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 3.48Å; R76-Y78 VanDerWaalsContact C-N 3.35Å; R76-A79 PolarHBondContact O-N 2.84Å; R76-M80 WeakPolarHBondContact O-CG 3.4Å; R76-M80 PolarHBondContact O-N 2.92Å; R76-P112 WeakPolarHBondContact CD-O 3.38Å; R76-P112 PolarHBondContact NE-O 3.25Å; R76-P112 VanDerWaalsContact NE-O 3.14Å; R76-G115 PolarHBondContact NH1-O 2.93Å; R76-G115 VanDerWaalsContact NH1-O 3.14Å; R76-P116 VanDerWaalsContact NH1-N 3.11Å; R76-P116 PolarHBondContact NH1-O 3.24Å; R76-T117 HydrophobicContact CB-CG2 4.45Å |
| 77 | S | 91.3 | Very high | 87.8 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 172.1 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | S73 A74 M80 C81 T117 A118 | S73-S77 PolarHBondContact O-N 3.3Å; S73-S77 PolarHBondContact O-OG 3.36Å; A74-S77 WeakPolarHBondContact O-CB 3.47Å; A74-S77 PolarHBondContact O-N 2.96Å; S77-M80 PolarHBondContact O-N 3.04Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 3.15Å; S77-T117 VanDerWaalsContact OG-CB 3.29Å; S77-T117 WeakPolarHBondContact OG-CB 3.26Å; S77-A118 PolarHBondContact OG-N 3.07Å |
| 78 | Y | 93.2 | Very high | 88.9 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 178.6 | -173.1 | -158.5 | 0 | 0 | 0 | 111.4 | C42 N43 F46 A74 L75 R76 M80 C81 T82 A98 I102 | C42-Y78 HydrophobicContact CB-CD2 3.99Å; C42-Y78 HydrophobicContact CB-CE2 3.91Å; N43-Y78 WeakPolarHBondContact OD1-CE2 3.37Å; N43-Y78 PolarHBondContact OD1-OH 2.9Å; F46-Y78 HydrophobicContact CB-CD1 3.82Å; F46-Y78 HydrophobicContact CB-CD2 4.11Å; F46-Y78 HydrophobicContact CB-CE1 4.29Å; F46-Y78 HydrophobicContact CB-CG 3.74Å; F46-Y78 AromaticContact CD1-CD1 3.79Å; F46-Y78 HydrophobicContact CD1-CD1 3.79Å; F46-Y78 AromaticContact CD1-CE1 3.91Å; F46-Y78 HydrophobicContact CD1-CE1 3.91Å; F46-Y78 AromaticContact CD2-CD1 3.74Å; F46-Y78 HydrophobicContact CD2-CD1 3.74Å; F46-Y78 HydrophobicContact CD2-CG 4.05Å; F46-Y78 HydrophobicContact CE1-CD1 4.3Å; F46-Y78 HydrophobicContact CE1-CE1 4.43Å; F46-Y78 HydrophobicContact CE2-CD1 4.26Å; F46-Y78 AromaticContact CG-CD1 3.48Å; F46-Y78 HydrophobicContact CG-CD1 3.48Å; F46-Y78 VanDerWaalsContact CG-CD1 3.48Å; F46-Y78 HydrophobicContact CG-CE1 4.02Å; F46-Y78 AromaticContact CG-CG 3.87Å; F46-Y78 HydrophobicContact CG-CG 3.87Å; A74-Y78 PolarHBondContact O-N 2.84Å; L75-Y78 PolarHBondContact O-N 3.45Å; R76-Y78 VanDerWaalsContact C-N 3.35Å; Y78-M80 VanDerWaalsContact C-N 3.33Å; Y78-M80 PolarHBondContact O-N 3.44Å; Y78-C81 PolarHBondContact O-N 3.25Å; Y78-T82 HydrophobicContact CD2-CG2 3.89Å; Y78-T82 HydrophobicContact CE2-CG2 3.68Å; Y78-T82 WeakPolarHBondContact O-CG2 3.17Å; Y78-T82 PolarHBondContact O-N 3.32Å; Y78-T82 PolarHBondContact O-OG1 3.45Å; Y78-A98 WeakPolarHBondContact OH-CB 3.4Å; Y78-I102 HydrophobicContact CD1-CD1 3.62Å; Y78-I102 HydrophobicContact CD1-CG1 3.31Å; Y78-I102 HydrophobicContact CD2-CD1 3.92Å; Y78-I102 HydrophobicContact CE1-CD1 3.7Å; Y78-I102 HydrophobicContact CE1-CG1 3.39Å; Y78-I102 HydrophobicContact CE2-CD1 4Å; Y78-I102 HydrophobicContact CG-CD1 3.71Å; Y78-I102 HydrophobicContact CG-CG1 3.92Å |
| 79 | A | 93.7 | Very high | 89.7 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L75 R76 T82 R83 I102 | L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3.15Å; R76-A79 PolarHBondContact O-N 2.84Å; A79-T82 PolarHBondContact O-OG1 2.82Å; A79-T82 VanDerWaalsContact O-OG1 3.09Å; A79-R83 VanDerWaalsContact O-CB 3.26Å; A79-R83 WeakPolarHBondContact O-CB 3.49Å; A79-R83 PolarHBondContact O-N 3.17Å; A79-I102 HydrophobicContact CB-CG2 3.83Å |
| 80 | M | 92.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 176.7 | -79.6 | -70.1 | -76 | 0 | 0 | 112.2 | R76 S77 Y78 R83 R84 T117 | R76-M80 WeakPolarHBondContact O-CG 3.4Å; R76-M80 PolarHBondContact O-N 2.92Å; S77-M80 PolarHBondContact O-N 3.04Å; Y78-M80 VanDerWaalsContact C-N 3.33Å; Y78-M80 PolarHBondContact O-N 3.44Å; M80-R83 PolarHBondContact O-N 3.18Å; M80-R84 PolarHBondContact O-N 2.6Å; M80-R84 VanDerWaalsContact O-N 3.14Å; M80-T117 HydrophobicContact CG-CG2 4.44Å |
| 81 | C | 92.1 | Very high | 90.4 | Very high | 40 Ų | 40 | 62 Ų | 62 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.7 | -51.3 | 177.1 | -170 | 0 | 0 | 0 | 0 | 111.2 | C42 S77 Y78 R83 R84 M85 | C42-C81 VanDerWaalsContact CA-SG 3.53Å; C42-C81 HydrophobicContact CB-CB 3.81Å; C42-C81 WeakPolarHBondContact CB-SG 3.45Å; C42-C81 VanDerWaalsContact SG-C 3.5Å; C42-C81 WeakPolarHBondContact SG-CB 3.29Å; C42-C81 CovalentContact SG-SG 2.05Å; C42-C81 PolarHBondContact SG-SG 3.44Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 3.15Å; Y78-C81 PolarHBondContact O-N 3.25Å; C81-R83 VanDerWaalsContact C-N 3.33Å; C81-R83 PolarHBondContact O-N 2.96Å; C81-R84 PolarHBondContact O-N 3.38Å; C81-M85 WeakPolarHBondContact O-CG 3.49Å; C81-M85 PolarHBondContact O-N 3.37Å |
| 82 | T | 93.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 178.6 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | I39 C42 Y78 A79 R84 M85 A86 Y95 I102 | I39-T82 HydrophobicContact CD1-CG2 3.69Å; C42-T82 HydrophobicContact CB-CG2 4.26Å; Y78-T82 HydrophobicContact CD2-CG2 3.89Å; Y78-T82 HydrophobicContact CE2-CG2 3.68Å; Y78-T82 WeakPolarHBondContact O-CG2 3.17Å; Y78-T82 PolarHBondContact O-N 3.32Å; Y78-T82 PolarHBondContact O-OG1 3.45Å; A79-T82 PolarHBondContact O-OG1 2.82Å; A79-T82 VanDerWaalsContact O-OG1 3.09Å; T82-R84 VanDerWaalsContact C-N 3.34Å; T82-R84 PolarHBondContact O-N 3.04Å; T82-M85 CarbonylContact O-C 3.55Å; T82-M85 PolarHBondContact O-N 3.21Å; T82-A86 PolarHBondContact O-N 3.36Å; T82-Y95 VanDerWaalsContact O-CE2 3.29Å; T82-Y95 WeakPolarHBondContact O-CE2 3.42Å; T82-I102 HydrophobicContact CG2-CD1 3.72Å |
| 83 | R | 91.9 | Very high | 90.6 | Very high | 193 Ų | 193 | 68.7 Ų | 68.7 | 73% | 0.728 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.5 | -39.6 | 177.1 | -164.8 | 178.2 | -157.4 | 165.5 | 6.3 | 113.3 | A79 M80 C81 M85 A86 | A79-R83 VanDerWaalsContact O-CB 3.26Å; A79-R83 WeakPolarHBondContact O-CB 3.49Å; A79-R83 PolarHBondContact O-N 3.17Å; M80-R83 PolarHBondContact O-N 3.18Å; C81-R83 VanDerWaalsContact C-N 3.33Å; C81-R83 PolarHBondContact O-N 2.96Å; R83-M85 PolarHBondContact O-N 3.48Å; R83-A86 WeakPolarHBondContact O-CB 3.38Å; R83-A86 PolarHBondContact O-N 2.97Å |
| 84 | R | 90 | Very high | 90.7 | Very high | 197 Ų | 197 | 70.5 Ų | 70.5 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.2 | -30.7 | 175.3 | -72 | -178.8 | -175.6 | -175.5 | 1.8 | 112.1 | M80 C81 T82 | M80-R84 PolarHBondContact O-N 2.6Å; M80-R84 VanDerWaalsContact O-N 3.14Å; C81-R84 PolarHBondContact O-N 3.38Å; T82-R84 VanDerWaalsContact C-N 3.34Å; T82-R84 PolarHBondContact O-N 3.04Å |
| 85 | M | 86.6 | Confident | 90.9 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -86.4 | -3.9 | -178.5 | -61.5 | -65.6 | 91.8 | 0 | 0 | 114.3 | C81 T82 R83 R87 A88 C89 | C81-M85 WeakPolarHBondContact O-CG 3.49Å; C81-M85 PolarHBondContact O-N 3.37Å; T82-M85 CarbonylContact O-C 3.55Å; T82-M85 PolarHBondContact O-N 3.21Å; R83-M85 PolarHBondContact O-N 3.48Å; M85-R87 PolarHBondContact O-N 2.97Å; M85-R87 VanDerWaalsContact O-N 3.07Å; M85-A88 PolarHBondContact O-N 2.9Å; M85-C89 WeakPolarHBondContact O-CB 3.45Å; M85-C89 PolarHBondContact O-N 3.35Å |
| 86 | A | 89 | Confident | 90.9 | Very high | 35 Ų | 35 | 76.2 Ų | 76.2 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T82 R83 R90 Y95 | T82-A86 PolarHBondContact O-N 3.36Å; R83-A86 WeakPolarHBondContact O-CB 3.38Å; R83-A86 PolarHBondContact O-N 2.97Å; A86-R90 VanDerWaalsContact O-CG 3.24Å; A86-R90 WeakPolarHBondContact O-CG 3.37Å; A86-Y95 WeakPolarHBondContact CA-OH 3.17Å; A86-Y95 VanDerWaalsContact CB-OH 3.28Å; A86-Y95 WeakPolarHBondContact CB-OH 3.34Å |
| 87 | R | 87.8 | Confident | 90.9 | Very high | 209 Ų | 209 | 78.6 Ų | 78.6 | 79% | 0.789 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -39.8 | 178.3 | -67.4 | -177.7 | -178.2 | 170.8 | 0.8 | 112.6 | M85 | M85-R87 PolarHBondContact O-N 2.97Å; M85-R87 VanDerWaalsContact O-N 3.07Å |
| 88 | A | 87 | Confident | 91 | Very high | 31 Ų | 31 | 77.2 Ų | 77.2 | 26% | 0.256 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -31.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A35 M85 | A35-A88 HydrophobicContact CB-CB 3.92Å; A35-A88 WeakPolarHBondContact O-CB 3.47Å; M85-A88 PolarHBondContact O-N 2.9Å |
| 89 | C | 90.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.007 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 19.5 | -172.1 | -63.9 | 0 | 0 | 0 | 0 | 114.7 | C37 M85 G91 D92 Y95 | C37-C89 WeakPolarHBondContact CA-SG 3.3Å; C37-C89 HydrophobicContact CB-CB 3.96Å; C37-C89 WeakPolarHBondContact CB-SG 3.24Å; C37-C89 VanDerWaalsContact SG-CA 3.55Å; C37-C89 WeakPolarHBondContact SG-CB 3.35Å; C37-C89 CovalentContact SG-SG 2.03Å; C37-C89 PolarHBondContact SG-SG 3.29Å; M85-C89 WeakPolarHBondContact O-CB 3.45Å; M85-C89 PolarHBondContact O-N 3.35Å; C89-G91 PolarHBondContact O-N 3.35Å; C89-G91 VanDerWaalsContact O-N 3.12Å; C89-D92 HydrophobicContact CB-CB 4.2Å; C89-D92 PolarHBondContact O-N 3.11Å; C89-D92 VanDerWaalsContact O-N 3.07Å; C89-Y95 HydrophobicContact CB-CD1 4.06Å; C89-Y95 HydrophobicContact CB-CD2 3.61Å; C89-Y95 HydrophobicContact CB-CE2 4.3Å; C89-Y95 HydrophobicContact CB-CG 3.48Å; C89-Y95 VanDerWaalsContact CB-CG 3.48Å; C89-Y95 WeakPolarHBondContact O-CD1 3.3Å |
| 90 | R | 89.3 | Confident | 91.1 | Very high | 181 Ų | 181 | 81.5 Ų | 81.5 | 68% | 0.683 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36.3 | -174.7 | -75.7 | -171.2 | 175.3 | 123.9 | -9 | 114.4 | A86 H96 | A86-R90 VanDerWaalsContact O-CG 3.24Å; A86-R90 WeakPolarHBondContact O-CG 3.37Å; R90-H96 PolarHBondContact O-NE2 3.38Å |
| 91 | G | 87.6 | Confident | 91.1 | Very high | 84 Ų | 84 | 78.4 Ų | 78.4 | 87% | 0.866 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 9.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C89 | C89-G91 PolarHBondContact O-N 3.35Å; C89-G91 VanDerWaalsContact O-N 3.12Å |
| 92 | D | 89.4 | Confident | 91.3 | Very high | 46 Ų | 46 | 76.9 Ų | 76.9 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | trans | -93.1 | 121 | -176.8 | -174 | -62.9 | 0 | 0 | 0 | 110.5 | C89 V94 Y95 H96 | C89-D92 HydrophobicContact CB-CB 4.2Å; C89-D92 PolarHBondContact O-N 3.11Å; C89-D92 VanDerWaalsContact O-N 3.07Å; D92-V94 VanDerWaalsContact OD1-CA 3.28Å; D92-V94 WeakPolarHBondContact OD1-CA 3.24Å; D92-V94 WeakPolarHBondContact OD1-CB 3.47Å; D92-V94 PolarHBondContact OD1-N 3.11Å; D92-Y95 WeakPolarHBondContact O-CB 3.34Å; D92-Y95 PolarHBondContact O-N 3.49Å; D92-Y95 PolarHBondContact OD1-N 2.81Å; D92-H96 PolarHBondContact O-CD2 3.21Å; D92-H96 PolarHBondContact O-N 2.9Å | ||
| 93 | L | 92.3 | Very high | 91.2 | Very high | 147 Ų | 147 | 80.8 Ų | 80.8 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.1 | -35.2 | -179.4 | -177.4 | 64.2 | 0 | 0 | 0 | 112.4 | Y95 H96 S97 | L93-Y95 VanDerWaalsContact C-N 3.28Å; L93-Y95 PolarHBondContact O-N 3.11Å; L93-H96 PolarHBondContact O-N 2.81Å; L93-S97 WeakPolarHBondContact O-CB 3.42Å; L93-S97 PolarHBondContact O-N 2.9Å; L93-S97 PolarHBondContact O-OG 3.05Å |
| 94 | V | 91.2 | Very high | 91.3 | Very high | 57 Ų | 57 | 75.6 Ų | 75.6 | 35% | 0.345 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | I39 L40 D92 S97 A98 | I39-V94 HydrophobicContact CG1-CG1 4.08Å; I39-V94 HydrophobicContact CG2-CB 4.05Å; I39-V94 HydrophobicContact CG2-CG1 4.08Å; L40-V94 HydrophobicContact CD2-CG1 4.31Å; D92-V94 VanDerWaalsContact OD1-CA 3.28Å; D92-V94 WeakPolarHBondContact OD1-CA 3.24Å; D92-V94 WeakPolarHBondContact OD1-CB 3.47Å; D92-V94 PolarHBondContact OD1-N 3.11Å; V94-S97 WeakPolarHBondContact CA-OG 3.3Å; V94-S97 PolarHBondContact O-N 3.5Å; V94-S97 PolarHBondContact O-OG 3.12Å; V94-A98 VanDerWaalsContact O-CB 3.26Å; V94-A98 WeakPolarHBondContact O-CB 3.1Å; V94-A98 PolarHBondContact O-N 2.92Å |
| 95 | Y | 93.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 68 Ų | 68 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 173.1 | 171.2 | -97.5 | 0 | 0 | 0 | 112.8 | I39 T82 A86 C89 D92 L93 S97 A98 V99 | I39-Y95 HydrophobicContact CD1-CD2 4.18Å; T82-Y95 VanDerWaalsContact O-CE2 3.29Å; T82-Y95 WeakPolarHBondContact O-CE2 3.42Å; A86-Y95 WeakPolarHBondContact CA-OH 3.17Å; A86-Y95 VanDerWaalsContact CB-OH 3.28Å; A86-Y95 WeakPolarHBondContact CB-OH 3.34Å; C89-Y95 HydrophobicContact CB-CD1 4.06Å; C89-Y95 HydrophobicContact CB-CD2 3.61Å; C89-Y95 HydrophobicContact CB-CE2 4.3Å; C89-Y95 HydrophobicContact CB-CG 3.48Å; C89-Y95 VanDerWaalsContact CB-CG 3.48Å; C89-Y95 WeakPolarHBondContact O-CD1 3.3Å; D92-Y95 WeakPolarHBondContact O-CB 3.34Å; D92-Y95 PolarHBondContact O-N 3.49Å; D92-Y95 PolarHBondContact OD1-N 2.81Å; L93-Y95 VanDerWaalsContact C-N 3.28Å; L93-Y95 PolarHBondContact O-N 3.11Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; Y95-S97 PolarHBondContact O-N 3.34Å; Y95-A98 WeakPolarHBondContact O-CB 3.33Å; Y95-A98 PolarHBondContact O-N 3.42Å; Y95-V99 HydrophobicContact CD1-CG2 4.47Å; Y95-V99 HydrophobicContact CD2-CG2 4.27Å; Y95-V99 HydrophobicContact CE1-CG2 3.99Å; Y95-V99 HydrophobicContact CE2-CG2 3.74Å; Y95-V99 WeakPolarHBondContact O-CG2 3.34Å; Y95-V99 PolarHBondContact O-N 3.3Å |
| 96 | H | 93.6 | Very high | 91.5 | Very high | 97 Ų | 97 | 66.3 Ų | 66.3 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | -179.5 | -70.5 | -67.2 | 0 | 0 | 0 | 111.9 | R90 D92 L93 A98 V99 Q100 | R90-H96 PolarHBondContact O-NE2 3.38Å; D92-H96 PolarHBondContact O-CD2 3.21Å; D92-H96 PolarHBondContact O-N 2.9Å; L93-H96 PolarHBondContact O-N 2.81Å; H96-A98 VanDerWaalsContact C-N 3.33Å; H96-A98 PolarHBondContact O-N 2.97Å; H96-V99 PolarHBondContact O-N 2.93Å; H96-Q100 PolarHBondContact O-N 3.35Å; H96-Q100 VanDerWaalsContact O-N 3.11Å |
| 97 | S | 93.8 | Very high | 91.5 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 173.8 | 74.7 | 0 | 0 | 0 | 0 | 112.5 | L93 V94 Y95 G101 | L93-S97 WeakPolarHBondContact O-CB 3.42Å; L93-S97 PolarHBondContact O-N 2.9Å; L93-S97 PolarHBondContact O-OG 3.05Å; V94-S97 WeakPolarHBondContact CA-OG 3.3Å; V94-S97 PolarHBondContact O-N 3.5Å; V94-S97 PolarHBondContact O-OG 3.12Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; Y95-S97 PolarHBondContact O-N 3.34Å; S97-G101 PolarHBondContact O-N 3.39Å |
| 98 | A | 93.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | I39 Y78 V94 Y95 H96 Q100 G101 I102 | I39-A98 HydrophobicContact CD1-CB 3.79Å; I39-A98 HydrophobicContact CG1-CB 4.31Å; Y78-A98 WeakPolarHBondContact OH-CB 3.4Å; V94-A98 VanDerWaalsContact O-CB 3.26Å; V94-A98 WeakPolarHBondContact O-CB 3.1Å; V94-A98 PolarHBondContact O-N 2.92Å; Y95-A98 WeakPolarHBondContact O-CB 3.33Å; Y95-A98 PolarHBondContact O-N 3.42Å; H96-A98 VanDerWaalsContact C-N 3.33Å; H96-A98 PolarHBondContact O-N 2.97Å; A98-Q100 VanDerWaalsContact C-N 3.35Å; A98-Q100 PolarHBondContact O-N 2.05Å; A98-G101 PolarHBondContact O-N 3.44Å; A98-I102 WeakPolarHBondContact O-CD1 3.43Å; A98-I102 WeakPolarHBondContact O-CG1 3.24Å; A98-I102 PolarHBondContact O-N 3.08Å |
| 99 | V | 94.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 26% | 0.255 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | Y95 H96 I102 E103 | Y95-V99 HydrophobicContact CD1-CG2 4.47Å; Y95-V99 HydrophobicContact CD2-CG2 4.27Å; Y95-V99 HydrophobicContact CE1-CG2 3.99Å; Y95-V99 HydrophobicContact CE2-CG2 3.74Å; Y95-V99 WeakPolarHBondContact O-CG2 3.34Å; Y95-V99 PolarHBondContact O-N 3.3Å; H96-V99 PolarHBondContact O-N 2.93Å; V99-I102 PolarHBondContact O-N 3.03Å; V99-E103 PolarHBondContact O-N 3.41Å |
| 100 | Q | 93.6 | Very high | 91.4 | Very high | 101 Ų | 101 | 73.7 Ų | 73.7 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.6 | -174.7 | 62.1 | 35.5 | 0 | 0 | 111.5 | H96 A98 I102 E103 D104 | H96-Q100 PolarHBondContact O-N 3.35Å; H96-Q100 VanDerWaalsContact O-N 3.11Å; A98-Q100 VanDerWaalsContact C-N 3.35Å; A98-Q100 PolarHBondContact O-N 2.05Å; Q100-I102 VanDerWaalsContact C-N 3.26Å; Q100-I102 PolarHBondContact O-N 3.07Å; Q100-E103 PolarHBondContact O-N 3.21Å; Q100-E103 VanDerWaalsContact O-N 3.07Å; Q100-D104 PolarHBondContact NE2-OD1 3.41Å; Q100-D104 PolarHBondContact O-N 3.33Å |
| 101 | G | 93.3 | Very high | 91.4 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 26% | 0.258 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S97 A98 D104 L105 | S97-G101 PolarHBondContact O-N 3.39Å; A98-G101 PolarHBondContact O-N 3.44Å; G101-D104 PolarHBondContact O-N 2.92Å; G101-L105 WeakPolarHBondContact O-CB 3.28Å; G101-L105 WeakPolarHBondContact O-CD1 3.41Å; G101-L105 WeakPolarHBondContact O-CG 3.47Å; G101-L105 PolarHBondContact O-N 2.89Å |
| 102 | I | 94.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 174 | -70.9 | 160.1 | 0 | 0 | 0 | 110.8 | Y78 A79 T82 A98 V99 Q100 L105 L106 | Y78-I102 HydrophobicContact CD1-CD1 3.62Å; Y78-I102 HydrophobicContact CD1-CG1 3.31Å; Y78-I102 HydrophobicContact CD2-CD1 3.92Å; Y78-I102 HydrophobicContact CE1-CD1 3.7Å; Y78-I102 HydrophobicContact CE1-CG1 3.39Å; Y78-I102 HydrophobicContact CE2-CD1 4Å; Y78-I102 HydrophobicContact CG-CD1 3.71Å; Y78-I102 HydrophobicContact CG-CG1 3.92Å; A79-I102 HydrophobicContact CB-CG2 3.83Å; T82-I102 HydrophobicContact CG2-CD1 3.72Å; A98-I102 WeakPolarHBondContact O-CD1 3.43Å; A98-I102 WeakPolarHBondContact O-CG1 3.24Å; A98-I102 PolarHBondContact O-N 3.08Å; V99-I102 PolarHBondContact O-N 3.03Å; Q100-I102 VanDerWaalsContact C-N 3.26Å; Q100-I102 PolarHBondContact O-N 3.07Å; I102-L105 PolarHBondContact O-N 3.03Å; I102-L106 HydrophobicContact CG2-CD1 3.96Å; I102-L106 HydrophobicContact CG2-CG 4.41Å; I102-L106 WeakPolarHBondContact O-CB 3.08Å; I102-L106 VanDerWaalsContact O-CG 3.24Å; I102-L106 WeakPolarHBondContact O-CG 3.12Å; I102-L106 PolarHBondContact O-N 3.35Å |
| 103 | E | 92.3 | Very high | 91.2 | Very high | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.411 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 178.8 | -68.1 | -168.3 | 169.5 | 0 | 0 | 111.7 | V99 Q100 L106 I107 | V99-E103 PolarHBondContact O-N 3.41Å; Q100-E103 PolarHBondContact O-N 3.21Å; Q100-E103 VanDerWaalsContact O-N 3.07Å; E103-L106 PolarHBondContact O-N 3.39Å; E103-I107 WeakPolarHBondContact O-CG1 3.39Å; E103-I107 PolarHBondContact O-N 3.04Å; E103-I107 VanDerWaalsContact O-N 3.15Å |
| 104 | D | 93.1 | Very high | 90.8 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.7 | -65.6 | -20.2 | 0 | 0 | 0 | 111.2 | Q100 G101 I107 Q108 | Q100-D104 PolarHBondContact NE2-OD1 3.41Å; Q100-D104 PolarHBondContact O-N 3.33Å; G101-D104 PolarHBondContact O-N 2.92Å; D104-I107 PolarHBondContact O-N 3.4Å; D104-Q108 WeakPolarHBondContact O-CB 3.48Å; D104-Q108 PolarHBondContact O-N 2.99Å |
| 105 | L | 91.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 70.3 Ų | 70.3 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 178.8 | -72.1 | 170.5 | 0 | 0 | 0 | 112.7 | F46 L75 G101 I102 I107 Q108 H109 | F46-L105 HydrophobicContact CE1-CD1 4.32Å; F46-L105 HydrophobicContact CZ-CD1 4.2Å; L75-L105 HydrophobicContact CD1-CB 3.97Å; L75-L105 HydrophobicContact CD2-CB 3.62Å; L75-L105 HydrophobicContact CD2-CD1 3.84Å; L75-L105 HydrophobicContact CD2-CG 4.38Å; L75-L105 HydrophobicContact CG-CB 4.47Å; G101-L105 WeakPolarHBondContact O-CB 3.28Å; G101-L105 WeakPolarHBondContact O-CD1 3.41Å; G101-L105 WeakPolarHBondContact O-CG 3.47Å; G101-L105 PolarHBondContact O-N 2.89Å; I102-L105 PolarHBondContact O-N 3.03Å; L105-I107 VanDerWaalsContact C-N 3.3Å; L105-I107 PolarHBondContact O-N 3.36Å; L105-Q108 PolarHBondContact O-N 3.27Å; L105-H109 WeakPolarHBondContact O-CB 3.35Å; L105-H109 PolarHBondContact O-CD2 2.92Å; L105-H109 PolarHBondContact O-N 3.09Å |
| 106 | L | 89.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.094 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.5 | -75.9 | 169.1 | 0 | 0 | 0 | 111.4 | L75 I102 E103 S110 C111 R113 | L75-L106 HydrophobicContact CB-CD2 3.97Å; L75-L106 HydrophobicContact CD1-CD2 4.24Å; I102-L106 HydrophobicContact CG2-CD1 3.96Å; I102-L106 HydrophobicContact CG2-CG 4.41Å; I102-L106 WeakPolarHBondContact O-CB 3.08Å; I102-L106 VanDerWaalsContact O-CG 3.24Å; I102-L106 WeakPolarHBondContact O-CG 3.12Å; I102-L106 PolarHBondContact O-N 3.35Å; E103-L106 PolarHBondContact O-N 3.39Å; L106-S110 PolarHBondContact O-N 3.22Å; L106-C111 HydrophobicContact CD2-CB 3.59Å; L106-C111 PolarHBondContact O-N 3.23Å; L106-R113 HydrophobicContact CD1-CG 4.42Å |
| 107 | I | 88.5 | Confident | 89.3 | Confident | 124 Ų | 124 | 73 Ų | 73 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -70.7 | -49.4 | 176.4 | -65.5 | 166.1 | 0 | 0 | 0 | 110.1 | E103 D104 L105 H109 S110 | E103-I107 WeakPolarHBondContact O-CG1 3.39Å; E103-I107 PolarHBondContact O-N 3.04Å; E103-I107 VanDerWaalsContact O-N 3.15Å; D104-I107 PolarHBondContact O-N 3.4Å; L105-I107 VanDerWaalsContact C-N 3.3Å; L105-I107 PolarHBondContact O-N 3.36Å; I107-H109 VanDerWaalsContact C-N 3.28Å; I107-H109 PolarHBondContact O-N 3.49Å; I107-S110 PolarHBondContact O-N 3.39Å; I107-S110 VanDerWaalsContact O-N 3.13Å |
| 108 | Q | 88.7 | Confident | 88.4 | Confident | 139 Ų | 139 | 70.8 Ų | 70.8 | 65% | 0.65 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.1 | -39.5 | -177 | -175 | 176.3 | 12.3 | 0 | 0 | 112.5 | D104 L105 | D104-Q108 WeakPolarHBondContact O-CB 3.48Å; D104-Q108 PolarHBondContact O-N 2.99Å; L105-Q108 PolarHBondContact O-N 3.27Å |
| 109 | H | 85.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 78.6 Ų | 78.6 | 28% | 0.278 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 7 | -178.8 | -70.9 | -89.7 | 0 | 0 | 0 | 114.1 | Y71 L105 I107 C111 | Y71-H109 HydrophobicContact CD1-CB 4.21Å; Y71-H109 AromaticContact CD1-CG 3.82Å; Y71-H109 AromaticContact CD1-ND1 3.92Å; Y71-H109 HydrophobicContact CE1-CB 4.3Å; Y71-H109 AromaticContact CE1-CD2 3.45Å; Y71-H109 VanDerWaalsContact CE1-CD2 3.45Å; Y71-H109 WeakPolarHBondContact CE1-CD2 3.18Å; Y71-H109 AromaticContact CE1-CE1 3.9Å; Y71-H109 AromaticContact CE1-CG 3.62Å; Y71-H109 AromaticContact CE1-ND1 3.9Å; Y71-H109 AromaticContact CE1-NE2 3.65Å; L105-H109 WeakPolarHBondContact O-CB 3.35Å; L105-H109 PolarHBondContact O-CD2 2.92Å; L105-H109 PolarHBondContact O-N 3.09Å; I107-H109 VanDerWaalsContact C-N 3.28Å; I107-H109 PolarHBondContact O-N 3.49Å; H109-C111 PolarHBondContact O-N 2.96Å |
| 110 | S | 89.6 | Confident | 85.3 | Confident | 108 Ų | 108 | 82.1 Ų | 82.1 | 76% | 0.755 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.5 | -177.8 | -61.8 | 0 | 0 | 0 | 0 | 113 | L106 I107 | L106-S110 PolarHBondContact O-N 3.22Å; I107-S110 PolarHBondContact O-N 3.39Å; I107-S110 VanDerWaalsContact O-N 3.13Å |
| 111 | C | 89.9 | Confident | 83.6 | Confident | 11 Ų | 11 | 85.6 Ų | 85.6 | 7% | 0.074 | 47% | 0.467 | C | S | . | . | trans | -84.7 | 130.9 | -176.2 | -69.5 | 0 | 0 | 0 | 0 | 111.4 | C72 L106 H109 | C72-C111 WeakPolarHBondContact CA-SG 3.46Å; C72-C111 HydrophobicContact CB-CB 3.63Å; C72-C111 WeakPolarHBondContact CB-SG 3.42Å; C72-C111 WeakPolarHBondContact SG-CA 3.04Å; C72-C111 WeakPolarHBondContact SG-CB 3.44Å; C72-C111 CovalentContact SG-SG 2.04Å; C72-C111 PolarHBondContact SG-SG 2.04Å; L106-C111 HydrophobicContact CD2-CB 3.59Å; L106-C111 PolarHBondContact O-N 3.23Å; H109-C111 PolarHBondContact O-N 2.96Å | ||
| 112 | P | 87.7 | Confident | 81.4 | Confident | 75 Ų | 75 | 89.3 Ų | 89.3 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | trans | -66.5 | 137.8 | 173.2 | 27.9 | -33.1 | 0 | 0 | 0 | 110.2 | R76 T114 | R76-P112 WeakPolarHBondContact CD-O 3.38Å; R76-P112 PolarHBondContact NE-O 3.25Å; R76-P112 VanDerWaalsContact NE-O 3.14Å; P112-T114 PolarHBondContact O-N 2.97Å | ||
| 113 | R | 85.4 | Confident | 79 | Confident | 190 Ų | 190 | 96.1 Ų | 96.1 | 72% | 0.717 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -67 | -21.3 | 178 | -69.8 | -175.5 | 177.8 | 173.5 | -3.6 | 113.1 | L106 | L106-R113 HydrophobicContact CD1-CG 4.42Š|
| 114 | T | 82.9 | Confident | 76.5 | Confident | 121 Ų | 121 | 97.5 Ų | 97.5 | 74% | 0.742 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -111.4 | 145.8 | 177.6 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | P112 | P112-T114 PolarHBondContact O-N 2.97Š|
| 115 | G | 82.4 | Confident | 74.3 | Confident | 46 Ų | 46 | 97.5 Ų | 97.5 | 47% | 0.474 | 54% | 0.536 | S | S | . | . | S | Bend | trans | 145.4 | -177.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | R76 T117 | R76-G115 PolarHBondContact NH1-O 2.93Å; R76-G115 VanDerWaalsContact NH1-O 3.14Å; G115-T117 PolarHBondContact O-N 3.46Å |
| 116 | P | 82.2 | Confident | 72 | Confident | 102 Ų | 102 | 99.3 Ų | 99.3 | 66% | 0.662 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 117.2 | -173.6 | 28.3 | -34.7 | 0 | 0 | 0 | 113.4 | S73 R76 | S73-P116 WeakPolarHBondContact CB-O 3.37Å; S73-P116 PolarHBondContact OG-O 2.88Å; R76-P116 VanDerWaalsContact NH1-N 3.11Å; R76-P116 PolarHBondContact NH1-O 3.24Å |
| 117 | T | 82.9 | Confident | 69.8 | Low | 75 Ų | 75 | 104.7 Ų | 104.7 | 46% | 0.46 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 152.6 | 175.5 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | R76 S77 M80 G115 Q119 | R76-T117 HydrophobicContact CB-CG2 4.45Å; S77-T117 VanDerWaalsContact OG-CB 3.29Å; S77-T117 WeakPolarHBondContact OG-CB 3.26Å; M80-T117 HydrophobicContact CG-CG2 4.44Å; G115-T117 PolarHBondContact O-N 3.46Å; T117-Q119 PolarHBondContact O-N 3.03Å |
| 118 | A | 75.4 | Confident | 68.2 | Low | 26 Ų | 26 | 99.8 Ų | 99.8 | 22% | 0.215 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -58 | 131.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V49 S73 S77 | V49-A118 HydrophobicContact CG1-CB 4.34Å; S73-A118 PolarHBondContact O-N 3.48Å; S73-A118 VanDerWaalsContact OG-CA 3.31Å; S73-A118 WeakPolarHBondContact OG-CA 3.42Å; S73-A118 PolarHBondContact OG-N 3.23Å; S77-A118 PolarHBondContact OG-N 3.07Å |
| 119 | Q | 66.8 | Low | 66.6 | Low | 170 Ų | 170 | 97.1 Ų | 97.1 | 79% | 0.794 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 142.2 | 173.9 | -73.9 | -91.1 | -5.6 | 0 | 0 | 109.5 | T117 R121 | T117-Q119 PolarHBondContact O-N 3.03Å; Q119-R121 PolarHBondContact O-N 3.13Å |
| 120 | P | 55.5 | Low | 65.3 | Low | 116 Ų | 116 | 95.1 Ų | 95.1 | 75% | 0.753 | 56% | 0.56 | S | S | * | * | trans | -57.8 | 113.9 | 169.6 | -16.3 | 28.3 | 0 | 0 | 0 | 108.5 | ||||
| 121 | R | 56.7 | Low | 64.1 | Low | 173 Ų | 173 | 93.5 Ų | 93.5 | 65% | 0.653 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 131.8 | 177.2 | -153.3 | 175.4 | -172.4 | -178.9 | -4.4 | 108.5 | D52 Q119 L123 | D52-R121 IonicContact OD2-CZ 3.79Å; D52-R121 IonicContact OD2-NH1 2.76Å; D52-R121 PolarHBondContact OD2-NH1 3.01Å; Q119-R121 PolarHBondContact O-N 3.13Å; R121-L123 PolarHBondContact O-N 3.28Å |
| 122 | P | 48.4 | Very low | 63.2 | Low | 104 Ų | 104 | 94.5 Ų | 94.5 | 68% | 0.675 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 133 | 162.6 | -18.4 | 30.2 | 0 | 0 | 0 | 108.3 | ||
| 123 | L | 43.3 | Very low | 63 | Low | 150 Ų | 150 | 91 Ų | 91 | 79% | 0.785 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -48.5 | 136.2 | 175.1 | -80.2 | 135.3 | 0 | 0 | 0 | 110.1 | R121 Q125 | R121-L123 PolarHBondContact O-N 3.28Å; L123-Q125 PolarHBondContact O-N 2.81Å |
| 124 | P | 40.2 | Very low | 63.3 | Low | 117 Ų | 117 | 83.1 Ų | 83.1 | 76% | 0.76 | 50% | 0.501 | S | S | * | . | trans | -58.2 | 110.9 | 174.3 | -18.6 | 29.3 | 0 | 0 | 0 | 109.1 | ||||
| 125 | Q | 46.1 | Very low | 63.7 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 39% | 0.388 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -88 | 122.7 | 176.3 | -72 | 161.1 | 2.3 | 0 | 0 | 107.4 | L123 | L123-Q125 PolarHBondContact O-N 2.81Š|
| 126 | A | 44.3 | Very low | 64.1 | Low | 77 Ų | 77 | 80.2 Ų | 80.2 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 146.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I128 | A126-I128 WeakPolarHBondContact O-CG1 3.46Å; A126-I128 PolarHBondContact O-N 3.44Å |
| 127 | P | 43.4 | Very low | 64.4 | Low | 131 Ų | 131 | 79.8 Ų | 79.8 | 85% | 0.851 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 116.9 | 179.4 | 20.4 | -30.5 | 0 | 0 | 0 | 109.6 | ||
| 128 | I | 53.6 | Low | 64.6 | Low | 22 Ų | 22 | 76.6 Ų | 76.6 | 11% | 0.113 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 127.7 | -171 | -58.9 | -170.4 | 0 | 0 | 0 | 107.1 | A126 A132 R213 Q243 | A126-I128 WeakPolarHBondContact O-CG1 3.46Å; A126-I128 PolarHBondContact O-N 3.44Å; I128-A132 HydrophobicContact CB-CB 4.49Å; I128-A132 HydrophobicContact CG2-CB 3.13Å; I128-R213 HydrophobicContact CD1-CB 3.46Å; I128-R213 VanDerWaalsContact CD1-CB 3.46Å; I128-R213 VanDerWaalsContact CD1-CD 3.42Å; I128-R213 HydrophobicContact CD1-CG 4.08Å; I128-Q243 PolarHBondContact O-NE2 2.69Å; I128-Q243 PolarHBondContact O-OE1 3.31Å |
| 129 | S | 56.7 | Low | 65.2 | Low | 83 Ų | 83 | 76.7 Ų | 76.7 | 58% | 0.58 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 152.2 | 169.5 | -179.1 | 0 | 0 | 0 | 0 | 110 | D131 A132 Q243 | S129-D131 PolarHBondContact O-N 3.45Å; S129-A132 WeakPolarHBondContact O-CB 3.33Å; S129-A132 PolarHBondContact O-N 3.32Å; S129-Q243 PolarHBondContact O-OE1 2.88Å |
| 130 | G | 57 | Low | 66.3 | Low | 18 Ų | 18 | 72.3 Ų | 72.3 | 19% | 0.186 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -50.8 | -31.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A132 C133 | G130-A132 VanDerWaalsContact C-N 3.25Å; G130-A132 PolarHBondContact O-N 3.37Å; G130-C133 PolarHBondContact O-N 2.77Å |
| 131 | D | 64.4 | Low | 67.9 | Low | 74 Ų | 74 | 74.7 Ų | 74.7 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -69.7 | -18.7 | 175.8 | -76.1 | -38.9 | 0 | 0 | 0 | 114.4 | S129 C133 I134 K137 | S129-D131 PolarHBondContact O-N 3.45Å; D131-C133 VanDerWaalsContact C-N 3.3Å; D131-I134 PolarHBondContact O-N 3.11Å; D131-K137 HydrophobicContact CB-CD 4.19Å; D131-K137 WeakPolarHBondContact OD1-CD 3.26Å; D131-K137 IonicContact OD1-NZ 3.71Å; D131-K137 PolarHBondContact OD1-NZ 2.88Å |
| 132 | A | 70.9 | Confident | 69.3 | Low | 32 Ų | 32 | 74.1 Ų | 74.1 | 26% | 0.264 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -87.2 | -0.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I128 S129 G130 I134 | I128-A132 HydrophobicContact CB-CB 4.49Å; I128-A132 HydrophobicContact CG2-CB 3.13Å; S129-A132 WeakPolarHBondContact O-CB 3.33Å; S129-A132 PolarHBondContact O-N 3.32Å; G130-A132 VanDerWaalsContact C-N 3.25Å; G130-A132 PolarHBondContact O-N 3.37Å; A132-I134 VanDerWaalsContact C-N 3.26Å |
| 133 | C | 85.3 | Confident | 71.2 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.014 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -84 | 3.7 | 159.1 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | G130 D131 C215 H265 | G130-C133 PolarHBondContact O-N 2.77Å; D131-C133 VanDerWaalsContact C-N 3.3Å; C133-C215 WeakPolarHBondContact CA-SG 3.43Å; C133-C215 HydrophobicContact CB-CB 3.67Å; C133-C215 WeakPolarHBondContact CB-SG 3.46Å; C133-C215 VanDerWaalsContact SG-CA 3.51Å; C133-C215 WeakPolarHBondContact SG-CB 3.35Å; C133-C215 CovalentContact SG-SG 2.04Å; C133-C215 PolarHBondContact SG-SG 3.42Å; C133-H265 WeakPolarHBondContact O-CA 3.09Å; C133-H265 WeakPolarHBondContact O-CB 3.42Å; C133-H265 PolarHBondContact O-N 3.3Å |
| 134 | I | 90 | Very high | 73.5 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -116.8 | 110.5 | 170.8 | -54.3 | -63.3 | 0 | 0 | 0 | 108 | D131 A132 E136 K137 G138 Q245 A264 | D131-I134 PolarHBondContact O-N 3.11Å; A132-I134 VanDerWaalsContact C-N 3.26Å; I134-E136 VanDerWaalsContact C-N 3.33Å; I134-E136 PolarHBondContact O-N 3.4Å; I134-K137 HydrophobicContact CB-CB 4.18Å; I134-K137 HydrophobicContact CB-CD 4.02Å; I134-K137 HydrophobicContact CB-CG 4.14Å; I134-K137 HydrophobicContact CG1-CD 4.33Å; I134-K137 HydrophobicContact CG2-CB 4.21Å; I134-K137 HydrophobicContact CG2-CD 4.13Å; I134-K137 HydrophobicContact CG2-CG 3.86Å; I134-K137 PolarHBondContact O-N 3.02Å; I134-G138 PolarHBondContact O-N 3.01Å; I134-Q245 VanDerWaalsContact CG1-OE1 3.23Å; I134-A264 HydrophobicContact CD1-CB 3.78Å |
| 135 | Y | 91.7 | Very high | 75.9 | Confident | 19 Ų | 19 | 70.9 Ų | 70.9 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.6 | -47.3 | -173.2 | -179.4 | -92.9 | 0 | 0 | 0 | 112.2 | K137 G138 Y139 P147 A264 P286 I289 | Y135-K137 PolarHBondContact O-N 3.28Å; Y135-G138 PolarHBondContact O-N 2.97Å; Y135-Y139 HydrophobicContact CE1-CD2 4.12Å; Y135-Y139 HydrophobicContact CE1-CG 4.33Å; Y135-Y139 AromaticContact CZ-CD2 3.92Å; Y135-Y139 VanDerWaalsContact O-CB 3.24Å; Y135-Y139 WeakPolarHBondContact O-CB 3.42Å; Y135-Y139 PolarHBondContact O-N 2.99Å; Y135-P147 HydrophobicContact CD1-CG 4.31Å; Y135-P147 HydrophobicContact CE1-CB 3.84Å; Y135-P147 HydrophobicContact CE1-CG 3.86Å; Y135-A264 WeakPolarHBondContact CB-O 3.47Å; Y135-A264 PolarHBondContact N-O 3.17Å; Y135-P286 HydrophobicContact CD1-CB 4.45Å; Y135-P286 HydrophobicContact CD1-CG 3.74Å; Y135-P286 HydrophobicContact CE1-CB 3.57Å; Y135-P286 HydrophobicContact CE1-CG 3.35Å; Y135-I289 HydrophobicContact CD2-CD1 4.27Å; Y135-I289 HydrophobicContact CD2-CG1 4.35Å; Y135-I289 HydrophobicContact CE2-CD1 3.79Å; Y135-I289 HydrophobicContact CE2-CG1 3.8Å |
| 136 | E | 90.9 | Very high | 78 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | -176.9 | -67.4 | -173.7 | 153.9 | 0 | 0 | 112.2 | I134 Y139 L140 Y149 | I134-E136 VanDerWaalsContact C-N 3.33Å; I134-E136 PolarHBondContact O-N 3.4Å; E136-Y139 PolarHBondContact O-N 2.79Å; E136-L140 WeakPolarHBondContact O-CB 3.05Å; E136-L140 WeakPolarHBondContact O-CG 3.35Å; E136-L140 PolarHBondContact O-N 3.26Å; E136-Y149 VanDerWaalsContact CG-OH 3.26Å; E136-Y149 WeakPolarHBondContact CG-OH 3.32Å; E136-Y149 PolarHBondContact OE1-OH 3.39Å |
| 137 | K | 88.5 | Confident | 80.3 | Confident | 93 Ų | 93 | 68.2 Ų | 68.2 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 176.4 | -70.4 | -176 | 176.4 | 177.7 | 0 | 110.9 | D131 I134 Y135 Y139 L140 Q141 | D131-K137 HydrophobicContact CB-CD 4.19Å; D131-K137 WeakPolarHBondContact OD1-CD 3.26Å; D131-K137 IonicContact OD1-NZ 3.71Å; D131-K137 PolarHBondContact OD1-NZ 2.88Å; I134-K137 HydrophobicContact CB-CB 4.18Å; I134-K137 HydrophobicContact CB-CD 4.02Å; I134-K137 HydrophobicContact CB-CG 4.14Å; I134-K137 HydrophobicContact CG1-CD 4.33Å; I134-K137 HydrophobicContact CG2-CB 4.21Å; I134-K137 HydrophobicContact CG2-CD 4.13Å; I134-K137 HydrophobicContact CG2-CG 3.86Å; I134-K137 PolarHBondContact O-N 3.02Å; Y135-K137 PolarHBondContact O-N 3.28Å; K137-Y139 VanDerWaalsContact C-N 3.31Å; K137-Y139 PolarHBondContact O-N 3.38Å; K137-L140 PolarHBondContact O-N 2.92Å; K137-Q141 WeakPolarHBondContact O-CB 3.28Å; K137-Q141 PolarHBondContact O-N 2.81Å |
| 138 | G | 86.8 | Confident | 82.7 | Confident | 8 Ų | 8 | 66 Ų | 66 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -32.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I134 Y135 R142 | I134-G138 PolarHBondContact O-N 3.01Å; Y135-G138 PolarHBondContact O-N 2.97Å; G138-R142 WeakPolarHBondContact O-CG 3.24Å; G138-R142 PolarHBondContact O-N 3.19Å; G138-R142 PolarHBondContact O-NE 3.39Å |
| 139 | Y | 89.3 | Confident | 84.8 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.3 | -48.5 | 175.9 | -168.4 | -85.9 | 0 | 0 | 0 | 111.1 | Y135 E136 K137 Q141 R142 E143 R145 P147 | Y135-Y139 HydrophobicContact CE1-CD2 4.12Å; Y135-Y139 HydrophobicContact CE1-CG 4.33Å; Y135-Y139 AromaticContact CZ-CD2 3.92Å; Y135-Y139 VanDerWaalsContact O-CB 3.24Å; Y135-Y139 WeakPolarHBondContact O-CB 3.42Å; Y135-Y139 PolarHBondContact O-N 2.99Å; E136-Y139 PolarHBondContact O-N 2.79Å; K137-Y139 VanDerWaalsContact C-N 3.31Å; K137-Y139 PolarHBondContact O-N 3.38Å; Y139-Q141 VanDerWaalsContact C-N 3.29Å; Y139-Q141 PolarHBondContact O-N 3.35Å; Y139-R142 PolarHBondContact O-N 2.91Å; Y139-R142 VanDerWaalsContact O-N 3.11Å; Y139-E143 HydrophobicContact CD1-CB 4.11Å; Y139-E143 HydrophobicContact CD1-CG 4.22Å; Y139-E143 HydrophobicContact CD2-CG 4.24Å; Y139-E143 HydrophobicContact CE1-CB 3.76Å; Y139-E143 HydrophobicContact CE1-CG 3.87Å; Y139-E143 HydrophobicContact CE2-CG 3.9Å; Y139-E143 HydrophobicContact CG-CG 4.39Å; Y139-E143 WeakPolarHBondContact O-CB 3.46Å; Y139-E143 PolarHBondContact O-N 3.23Å; Y139-R145 WeakPolarHBondContact CD1-O 3.35Å; Y139-R145 HydrophobicContact CE1-CG 4.15Å; Y139-R145 WeakPolarHBondContact CE1-O 3.43Å; Y139-R145 PolarHBondContact OH-NH2 3.36Å; Y139-P147 HydrophobicContact CD1-CB 3.88Å; Y139-P147 HydrophobicContact CD1-CG 4.24Å; Y139-P147 HydrophobicContact CD2-CB 4.31Å; Y139-P147 HydrophobicContact CE1-CB 3.9Å; Y139-P147 HydrophobicContact CE2-CB 4.34Å; Y139-P147 HydrophobicContact CG-CB 4.09Å; Y139-P147 HydrophobicContact CG-CG 4.43Å |
| 140 | L | 89.8 | Confident | 86.7 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 176.2 | -80.4 | 165 | 0 | 0 | 0 | 112.3 | E136 K137 R142 G144 R145 T146 | E136-L140 WeakPolarHBondContact O-CB 3.05Å; E136-L140 WeakPolarHBondContact O-CG 3.35Å; E136-L140 PolarHBondContact O-N 3.26Å; K137-L140 PolarHBondContact O-N 2.92Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 3.39Å; L140-G144 VanDerWaalsContact O-CA 3.24Å; L140-G144 WeakPolarHBondContact O-CA 3.37Å; L140-G144 PolarHBondContact O-N 3.45Å; L140-R145 VanDerWaalsContact CD2-C 3.41Å; L140-R145 WeakPolarHBondContact CD2-O 3.49Å; L140-T146 HydrophobicContact CD2-CG2 4Å |
| 141 | Q | 87.6 | Confident | 88.7 | Confident | 166 Ų | 166 | 64.6 Ų | 64.6 | 78% | 0.776 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.7 | -33.7 | 178.7 | -171 | 177.3 | 28.1 | 0 | 0 | 113.1 | K137 Y139 | K137-Q141 WeakPolarHBondContact O-CB 3.28Å; K137-Q141 PolarHBondContact O-N 2.81Å; Y139-Q141 VanDerWaalsContact C-N 3.29Å; Y139-Q141 PolarHBondContact O-N 3.35Å |
| 142 | R | 86.8 | Confident | 90.3 | Very high | 162 Ų | 162 | 61.1 Ų | 61.1 | 61% | 0.611 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -86.5 | -42.9 | -177.6 | -71.6 | 179.8 | -66.7 | -179.5 | 3.7 | 112.9 | G138 Y139 L140 | G138-R142 WeakPolarHBondContact O-CG 3.24Å; G138-R142 PolarHBondContact O-N 3.19Å; G138-R142 PolarHBondContact O-NE 3.39Å; Y139-R142 PolarHBondContact O-N 2.91Å; Y139-R142 VanDerWaalsContact O-N 3.11Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 3.39Å |
| 143 | E | 89.4 | Confident | 91.6 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -106.3 | -12 | -169.4 | -59.3 | -63.8 | 153 | 0 | 0 | 113.1 | Y139 R145 | Y139-E143 HydrophobicContact CD1-CB 4.11Å; Y139-E143 HydrophobicContact CD1-CG 4.22Å; Y139-E143 HydrophobicContact CD2-CG 4.24Å; Y139-E143 HydrophobicContact CE1-CB 3.76Å; Y139-E143 HydrophobicContact CE1-CG 3.87Å; Y139-E143 HydrophobicContact CE2-CG 3.9Å; Y139-E143 HydrophobicContact CG-CG 4.39Å; Y139-E143 WeakPolarHBondContact O-CB 3.46Å; Y139-E143 PolarHBondContact O-N 3.23Å; E143-R145 HydrophobicContact CB-CG 4.26Å; E143-R145 PolarHBondContact O-N 2.96Å; E143-R145 VanDerWaalsContact O-N 3.15Å |
| 144 | G | 90.6 | Very high | 92.2 | Very high | 70 Ų | 70 | 59.6 Ų | 59.6 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 68.1 | 9 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | L140 | L140-G144 VanDerWaalsContact O-CA 3.24Å; L140-G144 WeakPolarHBondContact O-CA 3.37Å; L140-G144 PolarHBondContact O-N 3.45Å |
| 145 | R | 91.6 | Very high | 92.6 | Very high | 119 Ų | 119 | 58.7 Ų | 58.7 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -141.1 | 162.9 | -179.9 | 68.8 | -179.1 | -175.7 | 107.3 | -4.8 | 111.3 | Y139 L140 E143 D148 | Y139-R145 WeakPolarHBondContact CD1-O 3.35Å; Y139-R145 HydrophobicContact CE1-CG 4.15Å; Y139-R145 WeakPolarHBondContact CE1-O 3.43Å; Y139-R145 PolarHBondContact OH-NH2 3.36Å; L140-R145 VanDerWaalsContact CD2-C 3.41Å; L140-R145 WeakPolarHBondContact CD2-O 3.49Å; E143-R145 HydrophobicContact CB-CG 4.26Å; E143-R145 PolarHBondContact O-N 2.96Å; E143-R145 VanDerWaalsContact O-N 3.15Å; R145-D148 IonicContact CZ-OD2 2.6Å; R145-D148 IonicContact NH1-OD1 2.67Å; R145-D148 IonicContact NH1-OD2 3.64Å; R145-D148 PolarHBondContact NH1-OD2 3.07Å; R145-D148 IonicContact NH2-OD2 3.15Å |
| 146 | T | 89.8 | Confident | 92.6 | Very high | 96 Ų | 96 | 58 Ų | 58 | 59% | 0.589 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 147.4 | 172.4 | 52.5 | 0 | 0 | 0 | 0 | 110.7 | L140 | L140-T146 HydrophobicContact CD2-CG2 4Š|
| 147 | P | 92.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 151.6 | 177.8 | 28.2 | -32.8 | 0 | 0 | 0 | 111.6 | Y135 Y139 Y149 P286 | Y135-P147 HydrophobicContact CD1-CG 4.31Å; Y135-P147 HydrophobicContact CE1-CB 3.84Å; Y135-P147 HydrophobicContact CE1-CG 3.86Å; Y139-P147 HydrophobicContact CD1-CB 3.88Å; Y139-P147 HydrophobicContact CD1-CG 4.24Å; Y139-P147 HydrophobicContact CD2-CB 4.31Å; Y139-P147 HydrophobicContact CE1-CB 3.9Å; Y139-P147 HydrophobicContact CE2-CB 4.34Å; Y139-P147 HydrophobicContact CG-CB 4.09Å; Y139-P147 HydrophobicContact CG-CG 4.43Å; P147-Y149 HydrophobicContact CG-CE2 3.68Å; P147-Y149 VanDerWaalsContact O-CD2 3.29Å; P147-Y149 WeakPolarHBondContact O-CD2 3.2Å; P147-P286 HydrophobicContact CB-CB 4.35Å |
| 148 | D | 93.6 | Very high | 92.5 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 129.2 | 172.7 | -59 | -54.7 | 0 | 0 | 0 | 109.3 | R145 P286 S287 | R145-D148 IonicContact CZ-OD2 2.6Å; R145-D148 IonicContact NH1-OD1 2.67Å; R145-D148 IonicContact NH1-OD2 3.64Å; R145-D148 PolarHBondContact NH1-OD2 3.07Å; R145-D148 IonicContact NH2-OD2 3.15Å; D148-P286 WeakPolarHBondContact O-CA 3.33Å; D148-S287 PolarHBondContact O-N 3.26Å |
| 149 | Y | 97 | Very high | 92.9 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 17% | 0.173 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.8 | -176 | -76.5 | -80.9 | 0 | 0 | 0 | 111.8 | E136 P147 G267 R284 P286 | E136-Y149 VanDerWaalsContact CG-OH 3.26Å; E136-Y149 WeakPolarHBondContact CG-OH 3.32Å; E136-Y149 PolarHBondContact OE1-OH 3.39Å; P147-Y149 HydrophobicContact CG-CE2 3.68Å; P147-Y149 VanDerWaalsContact O-CD2 3.29Å; P147-Y149 WeakPolarHBondContact O-CD2 3.2Å; Y149-G267 VanDerWaalsContact CE1-O 3.31Å; Y149-G267 WeakPolarHBondContact CE1-O 3.46Å; Y149-R284 HydrophobicContact CD1-CG 3.76Å; Y149-R284 HydrophobicContact CG-CG 4.24Å; Y149-P286 HydrophobicContact CD1-CG 4.29Å; Y149-P286 HydrophobicContact CE1-CB 4.46Å; Y149-P286 HydrophobicContact CE1-CG 3.7Å |
| 150 | L | 97.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 153.6 | 172.5 | -53.7 | -179.7 | 0 | 0 | 0 | 109.7 | F163 R284 S285 A290 | L150-F163 HydrophobicContact CB-CB 4.07Å; L150-F163 HydrophobicContact CB-CD1 3.58Å; L150-F163 HydrophobicContact CB-CE1 4.36Å; L150-F163 HydrophobicContact CB-CG 4.12Å; L150-F163 HydrophobicContact CD1-CB 4.02Å; L150-F163 HydrophobicContact CD1-CG 4.45Å; L150-R284 WeakPolarHBondContact O-CA 3.08Å; L150-S285 PolarHBondContact N-O 3.45Å; L150-S285 PolarHBondContact O-N 3.02Å; L150-A290 HydrophobicContact CD1-CB 4.15Å |
| 151 | H | 98.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.3 | 177.2 | 176.4 | 67.5 | 0 | 0 | 0 | 111.2 | F163 V283 I381 | H151-F163 WeakPolarHBondContact O-CA 3.48Å; H151-V283 CarbonylContact C-O 3.59Å; H151-V283 VanDerWaalsContact CA-O 3.24Å; H151-V283 WeakPolarHBondContact CA-O 3.49Å; H151-V283 PolarHBondContact ND1-O 3.2Å; H151-V283 VanDerWaalsContact ND1-O 3.07Å; H151-I381 HydrophobicContact CB-CD1 4.18Å; H151-I381 HydrophobicContact CB-CG1 3.6Å |
| 152 | C | 98.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141.9 | 168.4 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | R161 F163 S282 V283 C302 | C152-R161 CarbonylContact C-O 3.58Å; C152-R161 VanDerWaalsContact CA-O 3.24Å; C152-R161 WeakPolarHBondContact CA-O 3.35Å; C152-R161 PolarHBondContact SG-O 3.25Å; C152-F163 HydrophobicContact CB-CD1 3.68Å; C152-F163 HydrophobicContact CB-CD2 4.48Å; C152-F163 HydrophobicContact CB-CE1 3.48Å; C152-F163 VanDerWaalsContact CB-CE1 3.48Å; C152-F163 HydrophobicContact CB-CE2 4.33Å; C152-F163 HydrophobicContact CB-CG 4.18Å; C152-F163 HydrophobicContact CB-CZ 3.84Å; C152-S282 CarbonylContact O-C 3.56Å; C152-V283 HydrophobicContact CB-CB 4.42Å; C152-V283 PolarHBondContact N-O 3.23Å; C152-V283 PolarHBondContact O-N 3.3Å; C152-C302 HydrophobicContact CB-CB 3.64Å; C152-C302 WeakPolarHBondContact CB-SG 3.29Å; C152-C302 WeakPolarHBondContact SG-CA 3.44Å; C152-C302 WeakPolarHBondContact SG-CB 3.39Å; C152-C302 CovalentContact SG-SG 2.04Å; C152-C302 PolarHBondContact SG-SG 3.42Å |
| 153 | G | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V160 R161 L281 | G153-V160 CarbonylContact O-C 3.5Å; G153-V160 WeakPolarHBondContact O-CA 3.41Å; G153-R161 PolarHBondContact N-O 3.39Å; G153-R161 PolarHBondContact O-N 2.97Å; G153-L281 CarbonylContact C-O 3.57Å; G153-L281 WeakPolarHBondContact CA-O 3.46Å |
| 154 | V | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 115.3 | 173.8 | -171.3 | 0 | 0 | 0 | 0 | 109 | P158 H159 V160 L178 L202 G280 L281 | V154-P158 HydrophobicContact CG1-CB 4Å; V154-H159 VanDerWaalsContact CA-O 3.26Å; V154-H159 WeakPolarHBondContact CA-O 3.36Å; V154-V160 HydrophobicContact CG1-CG2 4.22Å; V154-V160 HydrophobicContact CG2-CG1 4.35Å; V154-V160 HydrophobicContact CG2-CG2 4.32Å; V154-L178 HydrophobicContact CB-CD1 4.19Å; V154-L178 HydrophobicContact CG1-CD2 4.46Å; V154-L178 HydrophobicContact CG2-CD1 3.95Å; V154-L178 HydrophobicContact CG2-CD2 4.15Å; V154-L202 HydrophobicContact CB-CD1 4.38Å; V154-L202 HydrophobicContact CG1-CD1 3.77Å; V154-G280 CarbonylContact O-C 3.53Å; V154-G280 WeakPolarHBondContact O-CA 3.16Å; V154-L281 PolarHBondContact N-O 3.08Å; V154-L281 PolarHBondContact O-N 3.47Å |
| 155 | F | 96.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 165.4 | -169.9 | 59.8 | -86.6 | 0 | 0 | 0 | 112.2 | P158 H159 F167 Y350 A353 A370 A373 | F155-P158 WeakPolarHBondContact O-CA 3.44Å; F155-H159 HydrophobicContact CD2-CB 4.25Å; F155-H159 HydrophobicContact CE1-CB 4.25Å; F155-H159 HydrophobicContact CE2-CB 3.94Å; F155-H159 HydrophobicContact CZ-CB 3.93Å; F155-H159 PolarHBondContact N-O 3.14Å; F155-H159 VanDerWaalsContact N-O 3.1Å; F155-H159 WeakPolarHBondContact O-CB 3.45Å; F155-H159 PolarHBondContact O-CD2 3.03Å; F155-H159 PolarHBondContact O-N 3.06Å; F155-F167 HydrophobicContact CZ-CE2 4.18Å; F155-Y350 HydrophobicContact CE1-CD1 4.47Å; F155-Y350 HydrophobicContact CE1-CE1 4.23Å; F155-Y350 HydrophobicContact CE2-CD1 4.35Å; F155-Y350 AromaticContact CZ-CD1 3.8Å; F155-Y350 HydrophobicContact CZ-CD1 3.8Å; F155-Y350 AromaticContact CZ-CE1 4Å; F155-Y350 HydrophobicContact CZ-CE1 4Å; F155-A353 HydrophobicContact CE2-CB 3.6Å; F155-A353 HydrophobicContact CZ-CB 4.19Å; F155-A370 HydrophobicContact CE2-CB 4.3Å; F155-A373 HydrophobicContact CB-CB 4.06Å; F155-A373 HydrophobicContact CD1-CB 3.39Å; F155-A373 HydrophobicContact CD2-CB 3.68Å; F155-A373 HydrophobicContact CE1-CB 3.63Å; F155-A373 HydrophobicContact CE2-CB 3.88Å; F155-A373 HydrophobicContact CG-CB 3.42Å; F155-A373 VanDerWaalsContact CG-CB 3.42Å; F155-A373 HydrophobicContact CZ-CB 3.86Å |
| 156 | G | 93.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -144.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D357 | G156-D357 WeakPolarHBondContact CA-OD2 3.44Š|
| 157 | D | 84.7 | Confident | 95.5 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 96.8 | 170.6 | -80.7 | -33.3 | 0 | 0 | 0 | 110.6 | H159 T200 F356 D357 | D157-H159 VanDerWaalsContact C-N 3.32Å; D157-H159 PolarHBondContact O-N 2.96Å; D157-H159 PolarHBondContact O-ND1 3.13Å; D157-T200 VanDerWaalsContact CA-O 3.25Å; D157-T200 WeakPolarHBondContact CA-O 3.03Å; D157-T200 VanDerWaalsContact OD1-C 3.3Å; D157-T200 PolarHBondContact OD1-N 3.37Å; D157-F356 HydrophobicContact CB-CD1 4.03Å; D157-F356 HydrophobicContact CB-CE1 3.75Å; D157-D357 WeakPolarHBondContact CB-OD1 3.47Å; D157-D357 PolarHBondContact N-OD1 3.13Å |
| 158 | P | 92.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | -45.9 | 99.9 | -124.3 | 23.9 | -33.4 | 0 | 0 | 0 | 111.6 | V154 F155 C170 V172 T200 | V154-P158 HydrophobicContact CG1-CB 4Å; F155-P158 WeakPolarHBondContact O-CA 3.44Å; P158-C170 VanDerWaalsContact CD-O 3.29Å; P158-C170 WeakPolarHBondContact CD-O 3.29Å; P158-C170 HydrophobicContact CG-CB 4.4Å; P158-C170 VanDerWaalsContact CG-O 3.28Å; P158-C170 WeakPolarHBondContact CG-O 3.44Å; P158-C170 WeakPolarHBondContact O-CB 3.04Å; P158-C170 PolarHBondContact O-N 2.8Å; P158-V172 HydrophobicContact CB-CG2 4.3Å; P158-V172 HydrophobicContact CG-CG2 3.51Å; P158-T200 WeakPolarHBondContact CD-O 3.34Å; P158-T200 WeakPolarHBondContact CD-OG1 3.4Å | |
| 159 | H | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.9 | 167.3 | -58.9 | -58.4 | 0 | 0 | 0 | 107.9 | V154 F155 D157 F167 Q168 T169 A353 F356 D357 | V154-H159 VanDerWaalsContact CA-O 3.26Å; V154-H159 WeakPolarHBondContact CA-O 3.36Å; F155-H159 HydrophobicContact CD2-CB 4.25Å; F155-H159 HydrophobicContact CE1-CB 4.25Å; F155-H159 HydrophobicContact CE2-CB 3.94Å; F155-H159 HydrophobicContact CZ-CB 3.93Å; F155-H159 PolarHBondContact N-O 3.14Å; F155-H159 VanDerWaalsContact N-O 3.1Å; F155-H159 WeakPolarHBondContact O-CB 3.45Å; F155-H159 PolarHBondContact O-CD2 3.03Å; F155-H159 PolarHBondContact O-N 3.06Å; D157-H159 VanDerWaalsContact C-N 3.32Å; D157-H159 PolarHBondContact O-N 2.96Å; D157-H159 PolarHBondContact O-ND1 3.13Å; H159-F167 HydrophobicContact CB-CE2 3.71Å; H159-F167 HydrophobicContact CB-CZ 3.81Å; H159-F167 AromaticContact CG-CZ 3.95Å; H159-F167 AromaticContact ND1-CZ 3.85Å; H159-Q168 CarbonylContact C-O 3.57Å; H159-Q168 WeakPolarHBondContact CA-O 3.24Å; H159-T169 PolarHBondContact CE1-OG1 2.96Å; H159-T169 WeakPolarHBondContact ND1-CG2 3.32Å; H159-T169 PolarHBondContact ND1-OG1 3.41Å; H159-A353 HydrophobicContact CB-CB 4.37Å; H159-A353 WeakPolarHBondContact CD2-CB 3.33Å; H159-A353 WeakPolarHBondContact NE2-CA 3.46Å; H159-A353 PolarHBondContact NE2-O 2.78Å; H159-F356 AromaticContact CE1-CD1 3.6Å; H159-F356 AromaticContact CE1-CG 3.79Å; H159-D357 IonicContact CD2-OD1 3.06Å; H159-D357 IonicContact CD2-OD2 3.95Å; H159-D357 IonicContact NE2-OD1 3.72Å; H159-D357 PolarHBondContact NE2-OD1 3.25Å; H159-D357 IonicContact NE2-OD2 2.72Å |
| 160 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.5 | -178 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | G153 V154 T162 F167 Q168 C170 L301 | G153-V160 CarbonylContact O-C 3.5Å; G153-V160 WeakPolarHBondContact O-CA 3.41Å; V154-V160 HydrophobicContact CG1-CG2 4.22Å; V154-V160 HydrophobicContact CG2-CG1 4.35Å; V154-V160 HydrophobicContact CG2-CG2 4.32Å; V160-T162 HydrophobicContact CG1-CG2 4.12Å; V160-F167 CarbonylContact O-C 3.59Å; V160-F167 WeakPolarHBondContact O-CA 3.39Å; V160-Q168 PolarHBondContact N-O 3.48Å; V160-Q168 PolarHBondContact O-N 3.35Å; V160-C170 VanDerWaalsContact CG2-SG 3.6Å; V160-L301 HydrophobicContact CG1-CB 4.35Å; V160-L301 WeakPolarHBondContact CG1-O 3.42Å; V160-L301 HydrophobicContact CG2-CD1 4.4Å |
| 161 | R | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.1 | 158.5 | 177.1 | -179.3 | 178.1 | 139.3 | 7.9 | 107.9 | C152 G153 D165 E166 Y350 K386 V387 L389 | C152-R161 CarbonylContact C-O 3.58Å; C152-R161 VanDerWaalsContact CA-O 3.24Å; C152-R161 WeakPolarHBondContact CA-O 3.35Å; C152-R161 PolarHBondContact SG-O 3.25Å; G153-R161 PolarHBondContact N-O 3.39Å; G153-R161 PolarHBondContact O-N 2.97Å; R161-D165 IonicContact CZ-OD1 2.68Å; R161-D165 IonicContact NE-OD1 2.82Å; R161-D165 PolarHBondContact NE-OD1 3.46Å; R161-D165 IonicContact NH2-OD1 3.55Å; R161-D165 PolarHBondContact NH2-OD1 3.19Å; R161-E166 CarbonylContact C-O 3.53Å; R161-E166 VanDerWaalsContact CA-O 3.3Å; R161-E166 WeakPolarHBondContact CA-O 3.31Å; R161-Y350 PolarHBondContact NH1-OH 3.32Å; R161-Y350 VanDerWaalsContact NH1-OH 3.16Å; R161-K386 PolarHBondContact NH1-O 2.89Å; R161-K386 PolarHBondContact NH2-O 2.9Å; R161-V387 PolarHBondContact NH1-O 3.05Å; R161-L389 HydrophobicContact CG-CD1 4.31Å |
| 162 | T | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -77.1 | 166.7 | 179.7 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | V160 R164 D165 E166 C302 | V160-T162 HydrophobicContact CG1-CG2 4.12Å; T162-R164 PolarHBondContact O-N 3.31Å; T162-R164 PolarHBondContact OG1-N 3.3Å; T162-D165 PolarHBondContact O-N 3.27Å; T162-E166 HydrophobicContact CG2-CB 4.13Å; T162-E166 PolarHBondContact N-O 3.42Å; T162-E166 WeakPolarHBondContact OG1-CB 3.1Å; T162-E166 PolarHBondContact OG1-N 3.02Å; T162-C302 CarbonylContact C-O 3.59Å; T162-C302 WeakPolarHBondContact CA-O 3.37Å; T162-C302 WeakPolarHBondContact CB-O 3.23Å | ||
| 163 | F | 97.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 7% | 0.066 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -15.4 | 170.6 | -71.6 | -50.7 | 0 | 0 | 0 | 114 | L150 H151 C152 I179 V283 A290 C302 V303 | L150-F163 HydrophobicContact CB-CB 4.07Å; L150-F163 HydrophobicContact CB-CD1 3.58Å; L150-F163 HydrophobicContact CB-CE1 4.36Å; L150-F163 HydrophobicContact CB-CG 4.12Å; L150-F163 HydrophobicContact CD1-CB 4.02Å; L150-F163 HydrophobicContact CD1-CG 4.45Å; H151-F163 WeakPolarHBondContact O-CA 3.48Å; C152-F163 HydrophobicContact CB-CD1 3.68Å; C152-F163 HydrophobicContact CB-CD2 4.48Å; C152-F163 HydrophobicContact CB-CE1 3.48Å; C152-F163 VanDerWaalsContact CB-CE1 3.48Å; C152-F163 HydrophobicContact CB-CE2 4.33Å; C152-F163 HydrophobicContact CB-CG 4.18Å; C152-F163 HydrophobicContact CB-CZ 3.84Å; F163-I179 HydrophobicContact CE2-CD1 4.23Å; F163-I179 HydrophobicContact CE2-CG1 4.35Å; F163-I179 HydrophobicContact CZ-CD1 3.91Å; F163-V283 HydrophobicContact CE1-CB 4.49Å; F163-V283 HydrophobicContact CE1-CG1 4.33Å; F163-V283 HydrophobicContact CZ-CG1 4.15Å; F163-A290 HydrophobicContact CD2-CB 4.02Å; F163-A290 HydrophobicContact CE2-CB 3.88Å; F163-A290 HydrophobicContact CG-CB 4.4Å; F163-A290 HydrophobicContact CZ-CB 4.16Å; F163-C302 HydrophobicContact CD2-CB 3.83Å; F163-C302 WeakPolarHBondContact CD2-O 3.47Å; F163-C302 HydrophobicContact CE2-CB 3.59Å; F163-C302 HydrophobicContact CZ-CB 4.18Å; F163-C302 PolarHBondContact N-O 3.03Å; F163-V303 HydrophobicContact CD2-CG2 4.31Å |
| 164 | R | 95.3 | Very high | 93.9 | Very high | 146 Ų | 146 | 26 Ų | 26 | 55% | 0.551 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 15.1 | 176.7 | -62.9 | -176.5 | -178.3 | 161.5 | 3.9 | 113 | T162 E166 | T162-R164 PolarHBondContact O-N 3.31Å; T162-R164 PolarHBondContact OG1-N 3.3Å; R164-E166 PolarHBondContact O-N 2.94Å |
| 165 | D | 94.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 29% | 0.289 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 60.1 | 29.4 | -179.1 | -60.7 | -41.9 | 0 | 0 | 0 | 113.1 | R161 T162 L389 | R161-D165 IonicContact CZ-OD1 2.68Å; R161-D165 IonicContact NE-OD1 2.82Å; R161-D165 PolarHBondContact NE-OD1 3.46Å; R161-D165 IonicContact NH2-OD1 3.55Å; R161-D165 PolarHBondContact NH2-OD1 3.19Å; T162-D165 PolarHBondContact O-N 3.27Å; D165-L389 HydrophobicContact CB-CD1 3.91Å; D165-L389 HydrophobicContact CB-CD2 3.93Å; D165-L389 VanDerWaalsContact O-CD1 3.31Å; D165-L389 WeakPolarHBondContact O-CD1 3.31Å |
| 166 | E | 93.6 | Very high | 93.8 | Very high | 87 Ų | 87 | 30.6 Ų | 30.6 | 41% | 0.407 | 16% | 0.157 | S | C | . | . | trans | -89.1 | 137.4 | 168.9 | -60.8 | -178.3 | -174.9 | 0 | 0 | 109.8 | R161 T162 R164 Q168 | R161-E166 CarbonylContact C-O 3.53Å; R161-E166 VanDerWaalsContact CA-O 3.3Å; R161-E166 WeakPolarHBondContact CA-O 3.31Å; T162-E166 HydrophobicContact CG2-CB 4.13Å; T162-E166 PolarHBondContact N-O 3.42Å; T162-E166 WeakPolarHBondContact OG1-CB 3.1Å; T162-E166 PolarHBondContact OG1-N 3.02Å; R164-E166 PolarHBondContact O-N 2.94Å; E166-Q168 PolarHBondContact OE2-NE2 2.8Å | ||
| 167 | F | 95.1 | Very high | 94 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 13% | 0.132 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.2 | 178.2 | -179 | -98.7 | 0 | 0 | 0 | 111.4 | F155 H159 V160 I349 A353 | F155-F167 HydrophobicContact CZ-CE2 4.18Å; H159-F167 HydrophobicContact CB-CE2 3.71Å; H159-F167 HydrophobicContact CB-CZ 3.81Å; H159-F167 AromaticContact CG-CZ 3.95Å; H159-F167 AromaticContact ND1-CZ 3.85Å; V160-F167 CarbonylContact O-C 3.59Å; V160-F167 WeakPolarHBondContact O-CA 3.39Å; F167-I349 HydrophobicContact CB-CB 4.17Å; F167-I349 HydrophobicContact CB-CD1 4.31Å; F167-I349 HydrophobicContact CB-CG2 3.48Å; F167-I349 VanDerWaalsContact CB-CG2 3.48Å; F167-I349 HydrophobicContact CD1-CB 3.96Å; F167-I349 HydrophobicContact CD1-CG2 3.69Å; F167-I349 HydrophobicContact CD2-CB 3.67Å; F167-I349 HydrophobicContact CD2-CD1 3.61Å; F167-I349 HydrophobicContact CD2-CG1 4.23Å; F167-I349 HydrophobicContact CD2-CG2 3.97Å; F167-I349 HydrophobicContact CE1-CB 4.25Å; F167-I349 HydrophobicContact CE1-CG2 4.41Å; F167-I349 HydrophobicContact CE2-CB 3.95Å; F167-I349 HydrophobicContact CE2-CD1 4.21Å; F167-I349 HydrophobicContact CG-CB 3.65Å; F167-I349 HydrophobicContact CG-CD1 4.16Å; F167-I349 HydrophobicContact CG-CG2 3.42Å; F167-I349 VanDerWaalsContact CG-CG2 3.42Å; F167-I349 HydrophobicContact CZ-CB 4.24Å; F167-A353 HydrophobicContact CZ-CB 4.07Å |
| 168 | Q | 94.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 9% | 0.093 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.7 | -176.6 | -56.2 | 176.2 | 10 | 0 | 0 | 109.8 | H159 V160 E166 G305 C306 | H159-Q168 CarbonylContact C-O 3.57Å; H159-Q168 WeakPolarHBondContact CA-O 3.24Å; V160-Q168 PolarHBondContact N-O 3.48Å; V160-Q168 PolarHBondContact O-N 3.35Å; E166-Q168 PolarHBondContact OE2-NE2 2.8Å; Q168-G305 VanDerWaalsContact OE1-CA 3.29Å; Q168-C306 PolarHBondContact OE1-SG 3.42Å |
| 169 | T | 93.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.3 | 168.5 | -57.1 | 0 | 0 | 0 | 0 | 108.5 | H159 L312 F356 | H159-T169 PolarHBondContact CE1-OG1 2.96Å; H159-T169 WeakPolarHBondContact ND1-CG2 3.32Å; H159-T169 PolarHBondContact ND1-OG1 3.41Å; T169-L312 HydrophobicContact CG2-CB 4.23Å; T169-L312 HydrophobicContact CG2-CD1 4.23Å; T169-L312 PolarHBondContact O-N 3.23Å; T169-F356 HydrophobicContact CG2-CD1 4Å; T169-F356 HydrophobicContact CG2-CD2 4.2Å; T169-F356 HydrophobicContact CG2-CE1 3.75Å; T169-F356 HydrophobicContact CG2-CE2 3.94Å; T169-F356 HydrophobicContact CG2-CG 4.23Å; T169-F356 HydrophobicContact CG2-CZ 3.72Å |
| 170 | C | 91.9 | Very high | 95 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.4 | -168 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | P158 V160 V172 C306 Q310 | P158-C170 VanDerWaalsContact CD-O 3.29Å; P158-C170 WeakPolarHBondContact CD-O 3.29Å; P158-C170 HydrophobicContact CG-CB 4.4Å; P158-C170 VanDerWaalsContact CG-O 3.28Å; P158-C170 WeakPolarHBondContact CG-O 3.44Å; P158-C170 WeakPolarHBondContact O-CB 3.04Å; P158-C170 PolarHBondContact O-N 2.8Å; V160-C170 VanDerWaalsContact CG2-SG 3.6Å; C170-V172 HydrophobicContact CB-CB 4.38Å; C170-V172 HydrophobicContact CB-CG1 3.99Å; C170-V172 HydrophobicContact CB-CG2 3.67Å; C170-C306 HydrophobicContact CB-CB 3.63Å; C170-C306 WeakPolarHBondContact CB-SG 3.42Å; C170-C306 WeakPolarHBondContact SG-CB 3.44Å; C170-C306 CovalentContact SG-SG 2.03Å; C170-C306 PolarHBondContact SG-SG 3.2Å; C170-Q310 WeakPolarHBondContact CA-O 3.36Å |
| 171 | A | 89 | Confident | 94.9 | Very high | 16 Ų | 16 | 33 Ų | 33 | 13% | 0.132 | 17% | 0.17 | C | C | . | . | trans | -83.7 | -17.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q173 T200 Q310 L312 | A171-Q173 PolarHBondContact O-N 3.44Å; A171-T200 VanDerWaalsContact O-CG2 3.29Å; A171-T200 WeakPolarHBondContact O-CG2 3.38Å; A171-T200 PolarHBondContact O-OG1 2.94Å; A171-Q310 PolarHBondContact N-O 2.77Å; A171-L312 HydrophobicContact CB-CD1 4.21Å; A171-L312 HydrophobicContact CB-CD2 4.04Å; A171-L312 HydrophobicContact CB-CG 4.16Å | ||
| 172 | V | 88.4 | Confident | 94.8 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | trans | -16.3 | 77.9 | -174.8 | -73.2 | 0 | 0 | 0 | 0 | 115.7 | P158 C170 W176 S190 L301 C306 Q310 | P158-V172 HydrophobicContact CB-CG2 4.3Å; P158-V172 HydrophobicContact CG-CG2 3.51Å; C170-V172 HydrophobicContact CB-CB 4.38Å; C170-V172 HydrophobicContact CB-CG1 3.99Å; C170-V172 HydrophobicContact CB-CG2 3.67Å; V172-W176 HydrophobicContact CB-CD2 3.89Å; V172-W176 HydrophobicContact CB-CG 3.92Å; V172-W176 HydrophobicContact CB-CZ2 4.25Å; V172-W176 HydrophobicContact CG1-CD2 3.96Å; V172-W176 HydrophobicContact CG1-CE3 4.26Å; V172-W176 HydrophobicContact CG1-CG 4.4Å; V172-W176 HydrophobicContact CG1-CH2 4.43Å; V172-W176 HydrophobicContact CG1-CZ2 4.15Å; V172-W176 HydrophobicContact CG1-CZ3 4.49Å; V172-W176 PolarHBondContact O-NE1 3.3Å; V172-S190 PolarHBondContact O-OG 3.14Å; V172-L301 HydrophobicContact CG1-CD1 4.36Å; V172-L301 HydrophobicContact CG1-CD2 4.49Å; V172-L301 HydrophobicContact CG2-CD1 4.14Å; V172-C306 HydrophobicContact CG1-CB 3.93Å; V172-Q310 HydrophobicContact CG1-CB 3.81Å; V172-Q310 HydrophobicContact CG1-CG 4.13Å | ||
| 173 | Q | 92.2 | Very high | 94.7 | Very high | 125 Ų | 125 | 40.4 Ų | 40.4 | 58% | 0.584 | 20% | 0.203 | S | C | * | . | trans | -76.5 | 140.1 | -177.5 | -172.3 | -178.4 | -0.3 | 0 | 0 | 111.8 | A171 W176 S190 | A171-Q173 PolarHBondContact O-N 3.44Å; Q173-W176 PolarHBondContact O-NE1 2.95Å; Q173-S190 WeakPolarHBondContact CA-OG 3.33Å | ||
| 174 | G | 94.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.7 | -155.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T189 S190 | G174-T189 CarbonylContact O-C 3.55Å; G174-T189 VanDerWaalsContact O-CA 3.27Å; G174-T189 WeakPolarHBondContact O-CA 3.4Å; G174-S190 PolarHBondContact N-O 3.14Å; G174-S190 PolarHBondContact N-OG 3.14Å; G174-S190 PolarHBondContact O-N 2.94Å |
| 175 | A | 95.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 48% | 0.479 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 122.6 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q187 A188 | A175-Q187 HydrophobicContact CB-CG 4.16Å; A175-A188 WeakPolarHBondContact CA-O 3.4Å |
| 176 | W | 96.4 | Very high | 95 | Very high | 46 Ų | 46 | 33 Ų | 33 | 17% | 0.174 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.9 | 179.3 | -68.1 | 84 | 0 | 0 | 0 | 111.6 | V172 Q173 L178 Q187 A188 L299 L301 P307 Q310 | V172-W176 HydrophobicContact CB-CD2 3.89Å; V172-W176 HydrophobicContact CB-CG 3.92Å; V172-W176 HydrophobicContact CB-CZ2 4.25Å; V172-W176 HydrophobicContact CG1-CD2 3.96Å; V172-W176 HydrophobicContact CG1-CE3 4.26Å; V172-W176 HydrophobicContact CG1-CG 4.4Å; V172-W176 HydrophobicContact CG1-CH2 4.43Å; V172-W176 HydrophobicContact CG1-CZ2 4.15Å; V172-W176 HydrophobicContact CG1-CZ3 4.49Å; V172-W176 PolarHBondContact O-NE1 3.3Å; Q173-W176 PolarHBondContact O-NE1 2.95Å; W176-L178 PolarHBondContact O-N 2.72Å; W176-Q187 WeakPolarHBondContact O-CA 3.29Å; W176-A188 PolarHBondContact N-O 2.63Å; W176-A188 PolarHBondContact O-N 3.25Å; W176-L299 HydrophobicContact CE3-CD1 4.33Å; W176-L299 HydrophobicContact CE3-CD2 4.16Å; W176-L299 HydrophobicContact CZ3-CD1 4.08Å; W176-L299 HydrophobicContact CZ3-CD2 4.11Å; W176-L301 HydrophobicContact CB-CD1 4.17Å; W176-P307 HydrophobicContact CH2-CG 4.48Å; W176-P307 HydrophobicContact CZ3-CG 4.05Å; W176-Q310 HydrophobicContact CH2-CG 4.03Å; W176-Q310 HydrophobicContact CZ2-CG 4.28Å |
| 177 | P | 97.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 115.9 | 172.2 | 30.2 | -34.3 | 0 | 0 | 0 | 109.9 | Y185 V186 L299 Q300 L301 | P177-Y185 HydrophobicContact CB-CE2 4.13Å; P177-V186 CarbonylContact C-O 3.51Å; P177-L299 HydrophobicContact CG-CB 4.3Å; P177-L299 HydrophobicContact CG-CD2 3.95Å; P177-L299 HydrophobicContact CG-CG 3.82Å; P177-L299 WeakPolarHBondContact CG-O 3.32Å; P177-Q300 WeakPolarHBondContact O-CA 3.4Å; P177-L301 PolarHBondContact O-N 2.87Å |
| 178 | L | 98.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -44 | 171.5 | -56.9 | -169 | 0 | 0 | 0 | 110.3 | V154 W176 V186 A188 L281 L301 C302 | V154-L178 HydrophobicContact CB-CD1 4.19Å; V154-L178 HydrophobicContact CG1-CD2 4.46Å; V154-L178 HydrophobicContact CG2-CD1 3.95Å; V154-L178 HydrophobicContact CG2-CD2 4.15Å; W176-L178 PolarHBondContact O-N 2.72Å; L178-V186 HydrophobicContact CB-CB 4.19Å; L178-V186 HydrophobicContact CB-CG1 3.97Å; L178-V186 HydrophobicContact CD1-CG1 4.08Å; L178-V186 HydrophobicContact CG-CG1 4.28Å; L178-V186 PolarHBondContact N-O 2.7Å; L178-A188 HydrophobicContact CD1-CB 3.6Å; L178-A188 HydrophobicContact CD2-CB 4.09Å; L178-A188 HydrophobicContact CG-CB 3.79Å; L178-L281 HydrophobicContact CD1-CB 4.43Å; L178-L281 HydrophobicContact CD1-CD2 3.57Å; L178-L301 HydrophobicContact CD2-CB 3.94Å; L178-L301 HydrophobicContact CD2-CD1 3.63Å; L178-L301 HydrophobicContact CD2-CG 4.04Å; L178-L301 PolarHBondContact O-N 2.76Å; L178-C302 VanDerWaalsContact O-CB 3.25Å; L178-C302 WeakPolarHBondContact O-CB 3.4Å; L178-C302 PolarHBondContact O-N 2.81Å |
| 179 | I | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 131.9 | 177.2 | -59.1 | 175.3 | 0 | 0 | 0 | 107.5 | F163 N181 L184 Y185 V186 V283 C302 | F163-I179 HydrophobicContact CE2-CD1 4.23Å; F163-I179 HydrophobicContact CE2-CG1 4.35Å; F163-I179 HydrophobicContact CZ-CD1 3.91Å; I179-N181 HydrophobicContact CG2-CB 4.48Å; I179-L184 HydrophobicContact CD1-CD2 4.33Å; I179-Y185 CarbonylContact O-C 3.51Å; I179-Y185 WeakPolarHBondContact O-CA 3.4Å; I179-V186 HydrophobicContact CB-CB 4.05Å; I179-V186 HydrophobicContact CB-CG2 4.01Å; I179-V186 HydrophobicContact CD1-CG2 4.14Å; I179-V186 HydrophobicContact CG1-CB 4.45Å; I179-V186 HydrophobicContact CG1-CG2 4.35Å; I179-V186 PolarHBondContact N-O 3.16Å; I179-V186 PolarHBondContact O-N 2.92Å; I179-V283 HydrophobicContact CD1-CB 4.38Å; I179-V283 HydrophobicContact CD1-CG1 3.93Å; I179-V283 HydrophobicContact CD1-CG2 4.04Å; I179-C302 HydrophobicContact CG1-CB 3.91Å |
| 180 | D | 97.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 31 Ų | 31 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 92.9 | 167.8 | -177.9 | 27.6 | 0 | 0 | 0 | 109.2 | Y185 K210 Q297 Q300 | D180-Y185 HydrophobicContact CB-CD2 3.76Å; D180-Y185 HydrophobicContact CB-CE2 4.13Å; D180-K210 IonicContact OD1-NZ 3.57Å; D180-K210 PolarHBondContact OD1-NZ 3.32Å; D180-Q297 PolarHBondContact O-NE2 3.07Å; D180-Q297 PolarHBondContact OD1-NE2 3.14Å; D180-Q297 WeakPolarHBondContact OD2-CG 3.41Å; D180-Q297 PolarHBondContact OD2-NE2 2.79Å; D180-Q300 HydrophobicContact CB-CG 4.08Å; D180-Q300 PolarHBondContact O-NE2 2.8Å; D180-Q300 VanDerWaalsContact O-NE2 3.08Å; D180-Q300 PolarHBondContact O-OE1 2.76Å; D180-Q300 VanDerWaalsContact O-OE1 3.09Å |
| 181 | N | 95.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -128.3 | -176.6 | -178.4 | 72.1 | 25.6 | 0 | 0 | 0 | 111 | I179 Y183 L184 K210 I289 A292 F293 | I179-N181 HydrophobicContact CG2-CB 4.48Å; N181-Y183 PolarHBondContact O-N 2.98Å; N181-Y183 VanDerWaalsContact O-N 3.08Å; N181-Y183 PolarHBondContact OD1-N 3.36Å; N181-L184 PolarHBondContact N-O 3.03Å; N181-L184 VanDerWaalsContact N-O 3.07Å; N181-L184 PolarHBondContact OD1-N 3.13Å; N181-L184 PolarHBondContact OD1-O 3.47Å; N181-K210 WeakPolarHBondContact O-CE 3.26Å; N181-K210 PolarHBondContact O-NZ 2.86Å; N181-I289 PolarHBondContact ND2-O 3.4Å; N181-A292 WeakPolarHBondContact CB-O 3.1Å; N181-F293 HydrophobicContact CB-CB 4.09Å |
| 182 | E | 94.4 | Very high | 95.5 | Very high | 111 Ų | 111 | 35.5 Ų | 35.5 | 52% | 0.519 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -59.5 | -20.9 | -177.8 | -74.6 | -178.7 | -176.8 | 0 | 0 | 114.4 | A292 | E182-A292 WeakPolarHBondContact CG-O 3.49Å; E182-A292 PolarHBondContact N-O 3.27Å |
| 183 | Y | 95.7 | Very high | 95.1 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 17% | 0.173 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -114 | -31 | -168.3 | -53.9 | -71.2 | 0 | 0 | 0 | 114.1 | N181 K210 W212 I266 I289 A292 | N181-Y183 PolarHBondContact O-N 2.98Å; N181-Y183 VanDerWaalsContact O-N 3.08Å; N181-Y183 PolarHBondContact OD1-N 3.36Å; Y183-K210 WeakPolarHBondContact O-CB 3.31Å; Y183-K210 PolarHBondContact O-N 2.63Å; Y183-W212 AromaticContact CD1-CD1 3.49Å; Y183-W212 VanDerWaalsContact CD1-CD1 3.49Å; Y183-W212 HydrophobicContact CD1-CG 4.44Å; Y183-W212 AromaticContact CD1-NE1 3.68Å; Y183-W212 AromaticContact CE1-CD1 3.5Å; Y183-W212 VanDerWaalsContact CE1-CD1 3.5Å; Y183-W212 AromaticContact CE1-NE1 3.27Å; Y183-W212 VanDerWaalsContact CE1-NE1 3.27Å; Y183-I266 HydrophobicContact CD1-CG2 3.89Å; Y183-I266 HydrophobicContact CG-CG2 4.01Å; Y183-I289 HydrophobicContact CD2-CB 4.41Å; Y183-I289 HydrophobicContact CD2-CD1 3.81Å; Y183-I289 HydrophobicContact CD2-CG2 3.76Å; Y183-I289 HydrophobicContact CE1-CD1 4.45Å; Y183-I289 HydrophobicContact CE2-CD1 3.49Å; Y183-I289 VanDerWaalsContact CE2-CD1 3.49Å; Y183-I289 HydrophobicContact CE2-CG2 4.41Å; Y183-I289 HydrophobicContact CG-CD1 4.38Å; Y183-I289 HydrophobicContact CG-CG2 4.33Å; Y183-A292 HydrophobicContact CD2-CB 4.27Å; Y183-A292 HydrophobicContact CE2-CB 3.58Å |
| 184 | L | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 137.9 | -167.9 | -170 | 70.5 | 0 | 0 | 0 | 110 | I179 N181 V186 I207 F209 L270 | I179-L184 HydrophobicContact CD1-CD2 4.33Å; N181-L184 PolarHBondContact N-O 3.03Å; N181-L184 VanDerWaalsContact N-O 3.07Å; N181-L184 PolarHBondContact OD1-N 3.13Å; N181-L184 PolarHBondContact OD1-O 3.47Å; L184-V186 HydrophobicContact CD2-CG2 3.7Å; L184-V186 HydrophobicContact CG-CG2 3.88Å; L184-I207 HydrophobicContact CD1-CG2 3.59Å; L184-I207 HydrophobicContact CG-CG2 4.42Å; L184-F209 HydrophobicContact CD1-CD1 3.49Å; L184-F209 VanDerWaalsContact CD1-CD1 3.49Å; L184-F209 HydrophobicContact CD1-CE1 3.59Å; L184-F209 HydrophobicContact CD1-CG 4.05Å; L184-F209 HydrophobicContact CD1-CZ 4.25Å; L184-L270 HydrophobicContact CD2-CD1 4.48Å; L184-L270 HydrophobicContact CD2-CD2 3.94Å |
| 185 | Y | 98.2 | Very high | 92.1 | Very high | 57 Ų | 57 | 45 Ų | 45 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.5 | 165.2 | 178.7 | -101.7 | 0 | 0 | 0 | 109 | P177 I179 D180 Q187 I207 I208 | P177-Y185 HydrophobicContact CB-CE2 4.13Å; I179-Y185 CarbonylContact O-C 3.51Å; I179-Y185 WeakPolarHBondContact O-CA 3.4Å; D180-Y185 HydrophobicContact CB-CD2 3.76Å; D180-Y185 HydrophobicContact CB-CE2 4.13Å; Y185-Q187 HydrophobicContact CD1-CB 4.43Å; Y185-Q187 HydrophobicContact CE1-CB 3.61Å; Y185-Q187 HydrophobicContact CE1-CG 4.46Å; Y185-Q187 PolarHBondContact OH-OE1 3.39Å; Y185-I207 CarbonylContact O-C 3.54Å; Y185-I207 WeakPolarHBondContact O-CA 3.4Å; Y185-I208 HydrophobicContact CD1-CD1 3.87Å; Y185-I208 HydrophobicContact CD1-CG1 4.29Å; Y185-I208 PolarHBondContact N-O 3.25Å; Y185-I208 PolarHBondContact O-N 3.37Å |
| 186 | V | 98.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 119.5 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | P177 L178 I179 L184 T206 I207 L270 L281 | P177-V186 CarbonylContact C-O 3.51Å; L178-V186 HydrophobicContact CB-CB 4.19Å; L178-V186 HydrophobicContact CB-CG1 3.97Å; L178-V186 HydrophobicContact CD1-CG1 4.08Å; L178-V186 HydrophobicContact CG-CG1 4.28Å; L178-V186 PolarHBondContact N-O 2.7Å; I179-V186 HydrophobicContact CB-CB 4.05Å; I179-V186 HydrophobicContact CB-CG2 4.01Å; I179-V186 HydrophobicContact CD1-CG2 4.14Å; I179-V186 HydrophobicContact CG1-CB 4.45Å; I179-V186 HydrophobicContact CG1-CG2 4.35Å; I179-V186 PolarHBondContact N-O 3.16Å; I179-V186 PolarHBondContact O-N 2.92Å; L184-V186 HydrophobicContact CD2-CG2 3.7Å; L184-V186 HydrophobicContact CG-CG2 3.88Å; V186-T206 WeakPolarHBondContact CA-O 3.47Å; V186-I207 HydrophobicContact CG1-CG1 4.19Å; V186-I207 HydrophobicContact CG2-CG1 4.28Å; V186-I207 HydrophobicContact CG2-CG2 4.18Å; V186-L270 HydrophobicContact CG2-CD2 4.17Å; V186-L281 HydrophobicContact CG1-CD2 3.59Å |
| 187 | Q | 98.4 | Very high | 88.9 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.2 | 173.7 | -174.9 | 177.6 | -72.7 | 0 | 0 | 109.2 | A175 W176 Y185 T206 | A175-Q187 HydrophobicContact CB-CG 4.16Å; W176-Q187 WeakPolarHBondContact O-CA 3.29Å; Y185-Q187 HydrophobicContact CD1-CB 4.43Å; Y185-Q187 HydrophobicContact CE1-CB 3.61Å; Y185-Q187 HydrophobicContact CE1-CG 4.46Å; Y185-Q187 PolarHBondContact OH-OE1 3.39Å; Q187-T206 PolarHBondContact N-O 3.04Å; Q187-T206 PolarHBondContact O-N 3.04Å |
| 188 | A | 97.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | A175 W176 L178 L202 T204 I205 | A175-A188 WeakPolarHBondContact CA-O 3.4Å; W176-A188 PolarHBondContact N-O 2.63Å; W176-A188 PolarHBondContact O-N 3.25Å; L178-A188 HydrophobicContact CD1-CB 3.6Å; L178-A188 HydrophobicContact CD2-CB 4.09Å; L178-A188 HydrophobicContact CG-CB 3.79Å; A188-L202 HydrophobicContact CB-CD1 4.34Å; A188-L202 HydrophobicContact CB-CD2 3.7Å; A188-T204 CarbonylContact C-O 3.58Å; A188-T204 WeakPolarHBondContact CA-O 2.89Å; A188-I205 HydrophobicContact CB-CG1 4.3Å |
| 189 | T | 97.2 | Very high | 86.7 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.7 | 175.4 | -55.3 | 0 | 0 | 0 | 0 | 108.7 | G174 I203 T204 | G174-T189 CarbonylContact O-C 3.55Å; G174-T189 VanDerWaalsContact O-CA 3.27Å; G174-T189 WeakPolarHBondContact O-CA 3.4Å; T189-I203 HydrophobicContact CG2-CD1 4.44Å; T189-I203 HydrophobicContact CG2-CG1 4.34Å; T189-I203 VanDerWaalsContact O-CG1 3.29Å; T189-I203 WeakPolarHBondContact O-CG1 3.34Å; T189-I203 PolarHBondContact O-N 3.39Å; T189-T204 PolarHBondContact N-O 3.01Å; T189-T204 PolarHBondContact O-N 3.01Å |
| 190 | S | 94.5 | Very high | 86.1 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 151.3 | 173.9 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | V172 Q173 G174 A201 | V172-S190 PolarHBondContact O-OG 3.14Å; Q173-S190 WeakPolarHBondContact CA-OG 3.33Å; G174-S190 PolarHBondContact N-O 3.14Å; G174-S190 PolarHBondContact N-OG 3.14Å; G174-S190 PolarHBondContact O-N 2.94Å; S190-A201 CarbonylContact C-O 3.54Å; S190-A201 WeakPolarHBondContact CA-O 3.03Å; S190-A201 WeakPolarHBondContact CB-O 3.36Å |
| 191 | A | 91.7 | Very high | 85.8 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 149.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M193 T200 A201 I203 | A191-M193 PolarHBondContact O-N 3.07Å; A191-T200 CarbonylContact O-C 3.6Å; A191-T200 VanDerWaalsContact O-CA 3.25Å; A191-T200 WeakPolarHBondContact O-CA 3.42Å; A191-A201 PolarHBondContact N-O 2.61Å; A191-A201 PolarHBondContact O-N 2.83Å; A191-I203 HydrophobicContact CB-CD1 3.74Å; A191-I203 HydrophobicContact CB-CG1 4.15Å; A191-I203 HydrophobicContact CB-CG2 3.89Å |
| 192 | P | 87.9 | Confident | 85.8 | Confident | 83 Ų | 83 | 53.2 Ų | 53.2 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 136.2 | 178.8 | 26.4 | -33.8 | 0 | 0 | 0 | 111.3 | A199 | P192-A199 WeakPolarHBondContact CA-O 3.11Å |
| 193 | M | 80.1 | Confident | 85.9 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | trans | -84.6 | 143.8 | 176.6 | -73.8 | -68.9 | -81.1 | 0 | 0 | 110.8 | A191 G195 A199 A201 R277 | A191-M193 PolarHBondContact O-N 3.07Å; M193-G195 PolarHBondContact O-N 3Å; M193-G195 VanDerWaalsContact O-N 3.1Å; M193-A199 HydrophobicContact CB-CB 4.1Å; M193-A199 PolarHBondContact N-O 2.97Å; M193-A201 HydrophobicContact CE-CB 4.45Å; M193-A201 HydrophobicContact CG-CB 3.64Å; M193-A201 HydrophobicContact SD-CB 3.55Å; M193-A201 VanDerWaalsContact SD-CB 3.55Å; M193-R277 HydrophobicContact CE-CB 4.25Å | ||
| 194 | R | 67.4 | Low | 86 | Confident | 240 Ų | 240 | 49.4 Ų | 49.4 | 91% | 0.906 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 106.2 | 173.2 | -73.7 | -176 | 175.2 | 170.7 | -0.9 | 108.4 | ||
| 195 | G | 57.7 | Low | 86.1 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 143.2 | -15.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | M193 | M193-G195 PolarHBondContact O-N 3Å; M193-G195 VanDerWaalsContact O-N 3.1Å |
| 196 | G | 61.7 | Low | 86.1 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | trans | -142.7 | 150.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y198 | G196-Y198 VanDerWaalsContact C-N 3.28Å; G196-Y198 PolarHBondContact O-N 3.12Å | ||
| 197 | V | 62.8 | Low | 86.1 | Confident | 128 Ų | 128 | 47.7 Ų | 47.7 | 78% | 0.776 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -68.4 | -27.4 | -177.8 | -178 | 0 | 0 | 0 | 0 | 112.2 | ||
| 198 | Y | 69.4 | Low | 86.1 | Confident | 159 Ų | 159 | 46.9 Ų | 46.9 | 62% | 0.624 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -126.9 | 2.2 | -175.6 | -55.5 | -71.6 | 0 | 0 | 0 | 114.2 | G196 L312 | G196-Y198 VanDerWaalsContact C-N 3.28Å; G196-Y198 PolarHBondContact O-N 3.12Å; Y198-L312 HydrophobicContact CG-CD2 4.26Å |
| 199 | A | 79.4 | Confident | 86.1 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | trans | -74.6 | 126.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P192 M193 A360 | P192-A199 WeakPolarHBondContact CA-O 3.11Å; M193-A199 HydrophobicContact CB-CB 4.1Å; M193-A199 PolarHBondContact N-O 2.97Å; A199-A360 HydrophobicContact CB-CB 4.23Å | ||
| 200 | T | 87 | Confident | 86 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 135.9 | -179.6 | 61.4 | 0 | 0 | 0 | 0 | 109 | D157 P158 A171 A191 | D157-T200 VanDerWaalsContact CA-O 3.25Å; D157-T200 WeakPolarHBondContact CA-O 3.03Å; D157-T200 VanDerWaalsContact OD1-C 3.3Å; D157-T200 PolarHBondContact OD1-N 3.37Å; P158-T200 WeakPolarHBondContact CD-O 3.34Å; P158-T200 WeakPolarHBondContact CD-OG1 3.4Å; A171-T200 VanDerWaalsContact O-CG2 3.29Å; A171-T200 WeakPolarHBondContact O-CG2 3.38Å; A171-T200 PolarHBondContact O-OG1 2.94Å; A191-T200 CarbonylContact O-C 3.6Å; A191-T200 VanDerWaalsContact O-CA 3.25Å; A191-T200 WeakPolarHBondContact O-CA 3.42Å |
| 201 | A | 90.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 149.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S190 A191 M193 I203 | S190-A201 CarbonylContact C-O 3.54Å; S190-A201 WeakPolarHBondContact CA-O 3.03Å; S190-A201 WeakPolarHBondContact CB-O 3.36Å; A191-A201 PolarHBondContact N-O 2.61Å; A191-A201 PolarHBondContact O-N 2.83Å; M193-A201 HydrophobicContact CE-CB 4.45Å; M193-A201 HydrophobicContact CG-CB 3.64Å; M193-A201 HydrophobicContact SD-CB 3.55Å; M193-A201 VanDerWaalsContact SD-CB 3.55Å; A201-I203 PolarHBondContact O-N 2.7Å |
| 202 | L | 95 | Very high | 85.4 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 125.6 | 168 | -67.1 | -176.8 | 0 | 0 | 0 | 109.4 | V154 A188 I205 S278 L279 | V154-L202 HydrophobicContact CB-CD1 4.38Å; V154-L202 HydrophobicContact CG1-CD1 3.77Å; A188-L202 HydrophobicContact CB-CD1 4.34Å; A188-L202 HydrophobicContact CB-CD2 3.7Å; L202-I205 HydrophobicContact CD1-CD1 4.5Å; L202-S278 PolarHBondContact N-OG 2.84Å; L202-S278 CarbonylContact O-C 3.51Å; L202-S278 WeakPolarHBondContact O-CA 3.41Å; L202-L279 HydrophobicContact CB-CB 4.05Å; L202-L279 WeakPolarHBondContact CB-O 3.3Å; L202-L279 PolarHBondContact O-N 3.33Å |
| 203 | I | 95.8 | Very high | 84.8 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -21 | -177.9 | 60.1 | 159.7 | 0 | 0 | 0 | 113.4 | T189 A191 A201 E224 L225 L279 | T189-I203 HydrophobicContact CG2-CD1 4.44Å; T189-I203 HydrophobicContact CG2-CG1 4.34Å; T189-I203 VanDerWaalsContact O-CG1 3.29Å; T189-I203 WeakPolarHBondContact O-CG1 3.34Å; T189-I203 PolarHBondContact O-N 3.39Å; A191-I203 HydrophobicContact CB-CD1 3.74Å; A191-I203 HydrophobicContact CB-CG1 4.15Å; A191-I203 HydrophobicContact CB-CG2 3.89Å; A201-I203 PolarHBondContact O-N 2.7Å; I203-E224 WeakPolarHBondContact O-CA 3.43Å; I203-L225 HydrophobicContact CB-CD1 4.18Å; I203-L225 HydrophobicContact CB-CG 4.28Å; I203-L225 HydrophobicContact CG2-CD1 3.8Å; I203-L225 HydrophobicContact CG2-CG 4.37Å; I203-L225 PolarHBondContact O-N 2.83Å; I203-L279 WeakPolarHBondContact O-CD1 3.33Å |
| 204 | T | 98.1 | Very high | 84.7 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 136.6 | 179.5 | -50 | 0 | 0 | 0 | 0 | 109.3 | A188 T189 Q222 A223 E224 | A188-T204 CarbonylContact C-O 3.58Å; A188-T204 WeakPolarHBondContact CA-O 2.89Å; T189-T204 PolarHBondContact N-O 3.01Å; T189-T204 PolarHBondContact O-N 3.01Å; T204-Q222 HydrophobicContact CG2-CG 4.4Å; T204-A223 WeakPolarHBondContact CA-O 3.36Å; T204-E224 HydrophobicContact CG2-CG 3.97Å |
| 205 | I | 98.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127 | 170.9 | -67.6 | 167.2 | 0 | 0 | 0 | 107.8 | A188 L202 I207 Q222 A223 V272 L279 L281 | A188-I205 HydrophobicContact CB-CG1 4.3Å; L202-I205 HydrophobicContact CD1-CD1 4.5Å; I205-I207 HydrophobicContact CG2-CD1 4.22Å; I205-I207 HydrophobicContact CG2-CG1 3.97Å; I205-Q222 WeakPolarHBondContact O-CA 3.48Å; I205-A223 PolarHBondContact N-O 2.8Å; I205-A223 PolarHBondContact O-N 3.18Å; I205-V272 HydrophobicContact CD1-CG1 3.91Å; I205-V272 HydrophobicContact CG2-CG2 4.21Å; I205-L279 HydrophobicContact CB-CD1 4.49Å; I205-L279 HydrophobicContact CD1-CB 3.71Å; I205-L279 HydrophobicContact CD1-CD1 4.25Å; I205-L279 HydrophobicContact CG1-CB 4.29Å; I205-L279 HydrophobicContact CG1-CD1 4.13Å; I205-L281 HydrophobicContact CD1-CB 4.11Å |
| 206 | T | 98.7 | Very high | 86.9 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.5 | 175.1 | -53.2 | 0 | 0 | 0 | 0 | 108.9 | V186 Q187 I208 I220 Y221 | V186-T206 WeakPolarHBondContact CA-O 3.47Å; Q187-T206 PolarHBondContact N-O 3.04Å; Q187-T206 PolarHBondContact O-N 3.04Å; T206-I208 HydrophobicContact CG2-CG1 4.36Å; T206-I220 HydrophobicContact CG2-CG2 4.18Å; T206-Y221 WeakPolarHBondContact CA-O 3.47Å |
| 207 | I | 98.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.3 | -180 | -55.5 | 166.4 | 0 | 0 | 0 | 107.5 | L184 Y185 V186 I205 F209 I220 Y221 I261 L270 V272 L281 | L184-I207 HydrophobicContact CD1-CG2 3.59Å; L184-I207 HydrophobicContact CG-CG2 4.42Å; Y185-I207 CarbonylContact O-C 3.54Å; Y185-I207 WeakPolarHBondContact O-CA 3.4Å; V186-I207 HydrophobicContact CG1-CG1 4.19Å; V186-I207 HydrophobicContact CG2-CG1 4.28Å; V186-I207 HydrophobicContact CG2-CG2 4.18Å; I205-I207 HydrophobicContact CG2-CD1 4.22Å; I205-I207 HydrophobicContact CG2-CG1 3.97Å; I207-F209 HydrophobicContact CB-CE2 4.37Å; I207-F209 HydrophobicContact CG2-CD2 4.18Å; I207-F209 HydrophobicContact CG2-CE1 4.21Å; I207-F209 HydrophobicContact CG2-CE2 3.57Å; I207-F209 HydrophobicContact CG2-CZ 3.57Å; I207-I220 CarbonylContact O-C 3.55Å; I207-I220 WeakPolarHBondContact O-CA 3.42Å; I207-Y221 HydrophobicContact CD1-CD1 3.89Å; I207-Y221 HydrophobicContact CG1-CD1 4.43Å; I207-Y221 PolarHBondContact N-O 3.22Å; I207-Y221 PolarHBondContact O-N 3.14Å; I207-I261 HydrophobicContact CD1-CD1 3.74Å; I207-L270 HydrophobicContact CD1-CB 4.47Å; I207-L270 HydrophobicContact CD1-CD2 4.02Å; I207-L270 HydrophobicContact CG2-CD2 4.31Å; I207-V272 HydrophobicContact CD1-CG2 3.94Å; I207-L281 HydrophobicContact CD1-CD1 4.28Å |
| 208 | I | 98.3 | Very high | 89.6 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.205 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 108.7 | 177.4 | -52.7 | 178.4 | 0 | 0 | 0 | 107.9 | Y185 T206 K210 Q218 I220 | Y185-I208 HydrophobicContact CD1-CD1 3.87Å; Y185-I208 HydrophobicContact CD1-CG1 4.29Å; Y185-I208 PolarHBondContact N-O 3.25Å; Y185-I208 PolarHBondContact O-N 3.37Å; T206-I208 HydrophobicContact CG2-CG1 4.36Å; I208-K210 PolarHBondContact O-N 3.45Å; I208-Q218 HydrophobicContact CG2-CG 3.88Å; I208-I220 HydrophobicContact CG1-CG1 4.42Å; I208-I220 HydrophobicContact CG2-CG1 4.44Å |
| 209 | F | 97.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 112.4 | 169 | -60.4 | -84.7 | 0 | 0 | 0 | 107.8 | L184 I207 I216 Q218 Q219 F232 L248 I261 A263 L270 | L184-F209 HydrophobicContact CD1-CD1 3.49Å; L184-F209 VanDerWaalsContact CD1-CD1 3.49Å; L184-F209 HydrophobicContact CD1-CE1 3.59Å; L184-F209 HydrophobicContact CD1-CG 4.05Å; L184-F209 HydrophobicContact CD1-CZ 4.25Å; I207-F209 HydrophobicContact CB-CE2 4.37Å; I207-F209 HydrophobicContact CG2-CD2 4.18Å; I207-F209 HydrophobicContact CG2-CE1 4.21Å; I207-F209 HydrophobicContact CG2-CE2 3.57Å; I207-F209 HydrophobicContact CG2-CZ 3.57Å; F209-I216 HydrophobicContact CB-CD1 3.77Å; F209-Q218 VanDerWaalsContact O-CA 3.26Å; F209-Q218 WeakPolarHBondContact O-CA 3.29Å; F209-Q218 WeakPolarHBondContact O-CG 3.45Å; F209-Q219 HydrophobicContact CB-CB 4.24Å; F209-Q219 HydrophobicContact CD2-CB 4.24Å; F209-Q219 PolarHBondContact N-O 3.33Å; F209-Q219 PolarHBondContact O-N 3.25Å; F209-Q219 VanDerWaalsContact O-N 3.11Å; F209-F232 HydrophobicContact CD2-CE1 4.39Å; F209-F232 HydrophobicContact CE2-CE1 4.02Å; F209-L248 HydrophobicContact CB-CD2 4.13Å; F209-L248 HydrophobicContact CD1-CD1 3.92Å; F209-L248 HydrophobicContact CD1-CD2 4.33Å; F209-L248 HydrophobicContact CD2-CD1 4.21Å; F209-L248 HydrophobicContact CD2-CD2 3.78Å; F209-L248 HydrophobicContact CE1-CD1 3.76Å; F209-L248 HydrophobicContact CE2-CD1 4.05Å; F209-L248 HydrophobicContact CE2-CD2 4.32Å; F209-L248 HydrophobicContact CG-CD1 4.16Å; F209-L248 HydrophobicContact CG-CD2 3.79Å; F209-L248 HydrophobicContact CZ-CD1 3.83Å; F209-I261 HydrophobicContact CE1-CG2 4.35Å; F209-I261 HydrophobicContact CE2-CG2 3.9Å; F209-I261 HydrophobicContact CZ-CB 4.42Å; F209-I261 HydrophobicContact CZ-CG2 3.43Å; F209-I261 VanDerWaalsContact CZ-CG2 3.43Å; F209-A263 HydrophobicContact CD1-CB 4.03Å; F209-A263 HydrophobicContact CE1-CB 3.69Å; F209-L270 HydrophobicContact CE1-CD1 3.9Å; F209-L270 HydrophobicContact CZ-CD1 3.93Å |
| 210 | K | 94.4 | Very high | 91.7 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 22% | 0.222 | 21% | 0.21 | C | C | . | . | trans | -71.3 | 154.9 | -179.2 | -59.5 | 178.7 | -178.4 | 177.8 | 0 | 109.1 | D180 N181 Y183 I208 W212 I216 | D180-K210 IonicContact OD1-NZ 3.57Å; D180-K210 PolarHBondContact OD1-NZ 3.32Å; N181-K210 WeakPolarHBondContact O-CE 3.26Å; N181-K210 PolarHBondContact O-NZ 2.86Å; Y183-K210 WeakPolarHBondContact O-CB 3.31Å; Y183-K210 PolarHBondContact O-N 2.63Å; I208-K210 PolarHBondContact O-N 3.45Å; K210-W212 PolarHBondContact O-N 2.86Å; K210-I216 WeakPolarHBondContact O-CD1 3.31Å | ||
| 211 | N | 89.7 | Confident | 92.3 | Very high | 122 Ų | 122 | 43.5 Ų | 43.5 | 65% | 0.652 | 21% | 0.208 | S | C | * | . | trans | -58.5 | 141.5 | 177.1 | 67.3 | 25 | 0 | 0 | 0 | 110.5 | ||||
| 212 | W | 84.3 | Confident | 92.6 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -147.3 | 119.3 | -178.4 | -170 | 80.2 | 0 | 0 | 0 | 112.1 | Y183 K210 Q214 C215 I216 H265 | Y183-W212 AromaticContact CD1-CD1 3.49Å; Y183-W212 VanDerWaalsContact CD1-CD1 3.49Å; Y183-W212 HydrophobicContact CD1-CG 4.44Å; Y183-W212 AromaticContact CD1-NE1 3.68Å; Y183-W212 AromaticContact CE1-CD1 3.5Å; Y183-W212 VanDerWaalsContact CE1-CD1 3.5Å; Y183-W212 AromaticContact CE1-NE1 3.27Å; Y183-W212 VanDerWaalsContact CE1-NE1 3.27Å; K210-W212 PolarHBondContact O-N 2.86Å; W212-Q214 PolarHBondContact O-N 3.24Å; W212-C215 HydrophobicContact CE3-CB 3.79Å; W212-C215 VanDerWaalsContact CE3-SG 3.56Å; W212-C215 HydrophobicContact CZ3-CB 4.12Å; W212-C215 WeakPolarHBondContact CZ3-SG 3.32Å; W212-C215 PolarHBondContact O-N 2.97Å; W212-I216 HydrophobicContact CB-CG1 4.4Å; W212-I216 PolarHBondContact N-O 2.04Å; W212-I216 PolarHBondContact O-N 2.69Å; W212-H265 HydrophobicContact CE3-CB 3.79Å; W212-H265 HydrophobicContact CZ3-CB 3.9Å |
| 213 | R | 74.4 | Confident | 92.8 | Very high | 99 Ų | 99 | 46.5 Ų | 46.5 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 38.2 | 40 | 167.7 | -45.5 | -154.1 | 170.1 | -160.5 | -4.3 | 117.3 | I128 C215 | I128-R213 HydrophobicContact CD1-CB 3.46Å; I128-R213 VanDerWaalsContact CD1-CB 3.46Å; I128-R213 VanDerWaalsContact CD1-CD 3.42Å; I128-R213 HydrophobicContact CD1-CG 4.08Å; R213-C215 PolarHBondContact O-N 3.26Å; R213-C215 VanDerWaalsContact O-N 3.12Å |
| 214 | Q | 79.7 | Confident | 92.9 | Very high | 135 Ų | 135 | 48.1 Ų | 48.1 | 63% | 0.631 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 7.3 | -175.4 | -50.7 | 175.4 | -24.3 | 0 | 0 | 115 | W212 R242 | W212-Q214 PolarHBondContact O-N 3.24Å; Q214-R242 WeakPolarHBondContact O-CD 3.27Å |
| 215 | C | 82.9 | Confident | 92.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -36.3 | 176.6 | -59 | 0 | 0 | 0 | 0 | 112.2 | C133 W212 R213 S247 H265 | C133-C215 WeakPolarHBondContact CA-SG 3.43Å; C133-C215 HydrophobicContact CB-CB 3.67Å; C133-C215 WeakPolarHBondContact CB-SG 3.46Å; C133-C215 VanDerWaalsContact SG-CA 3.51Å; C133-C215 WeakPolarHBondContact SG-CB 3.35Å; C133-C215 CovalentContact SG-SG 2.04Å; C133-C215 PolarHBondContact SG-SG 3.42Å; W212-C215 HydrophobicContact CE3-CB 3.79Å; W212-C215 VanDerWaalsContact CE3-SG 3.56Å; W212-C215 HydrophobicContact CZ3-CB 4.12Å; W212-C215 WeakPolarHBondContact CZ3-SG 3.32Å; W212-C215 PolarHBondContact O-N 2.97Å; R213-C215 PolarHBondContact O-N 3.26Å; R213-C215 VanDerWaalsContact O-N 3.12Å; C215-S247 PolarHBondContact O-OG 2.87Å; C215-H265 HydrophobicContact CB-CB 4.15Å |
| 216 | I | 88.6 | Confident | 92.4 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -139.8 | 149.1 | 172.6 | 64.2 | 158.2 | 0 | 0 | 0 | 111.1 | F209 K210 W212 S247 L248 H265 | F209-I216 HydrophobicContact CB-CD1 3.77Å; K210-I216 WeakPolarHBondContact O-CD1 3.31Å; W212-I216 HydrophobicContact CB-CG1 4.4Å; W212-I216 PolarHBondContact N-O 2.04Å; W212-I216 PolarHBondContact O-N 2.69Å; I216-S247 WeakPolarHBondContact CG2-OG 3.08Å; I216-L248 HydrophobicContact CD1-CD2 4.45Å; I216-L248 HydrophobicContact CG2-CB 4.05Å; I216-H265 VanDerWaalsContact CD1-CE1 3.43Å; I216-H265 WeakPolarHBondContact CD1-CE1 3.37Å; I216-H265 VanDerWaalsContact CD1-NE2 3.25Å; I216-H265 WeakPolarHBondContact CD1-NE2 3.41Å |
| 217 | E | 88.3 | Confident | 92.2 | Very high | 112 Ų | 112 | 58.5 Ų | 58.5 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | trans | -82.1 | 171.7 | 155.9 | -61.5 | -163.5 | 169.8 | 0 | 0 | 110 | Q219 R242 | E217-Q219 PolarHBondContact O-N 3.18Å; E217-R242 VanDerWaalsContact CG-NH2 3.28Å; E217-R242 IonicContact OE1-CZ 3.68Å; E217-R242 IonicContact OE1-NH1 3.47Å; E217-R242 IonicContact OE1-NH2 2.83Å; E217-R242 PolarHBondContact OE1-NH2 3.03Å | ||
| 218 | Q | 92.8 | Very high | 92.1 | Very high | 118 Ų | 118 | 58.5 Ų | 58.5 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | trans | -63.5 | 122.4 | 179.6 | -176 | -177.5 | -74 | 0 | 0 | 109.9 | I208 F209 | I208-Q218 HydrophobicContact CG2-CG 3.88Å; F209-Q218 VanDerWaalsContact O-CA 3.26Å; F209-Q218 WeakPolarHBondContact O-CA 3.29Å; F209-Q218 WeakPolarHBondContact O-CG 3.45Å | ||
| 219 | Q | 95.2 | Very high | 92.1 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.1 | 177.4 | -160.2 | 65.7 | 36.9 | 0 | 0 | 110.1 | F209 E217 F232 D234 S236 L248 | F209-Q219 HydrophobicContact CB-CB 4.24Å; F209-Q219 HydrophobicContact CD2-CB 4.24Å; F209-Q219 PolarHBondContact N-O 3.33Å; F209-Q219 PolarHBondContact O-N 3.25Å; F209-Q219 VanDerWaalsContact O-N 3.11Å; E217-Q219 PolarHBondContact O-N 3.18Å; Q219-F232 HydrophobicContact CG-CB 3.96Å; Q219-F232 HydrophobicContact CG-CD1 3.39Å; Q219-F232 HydrophobicContact CG-CD2 3.75Å; Q219-F232 HydrophobicContact CG-CE1 3.78Å; Q219-F232 HydrophobicContact CG-CE2 4.12Å; Q219-F232 HydrophobicContact CG-CG 3.4Å; Q219-F232 HydrophobicContact CG-CZ 4.16Å; Q219-D234 PolarHBondContact NE2-OD1 2.82Å; Q219-D234 PolarHBondContact NE2-OD2 3.08Å; Q219-S236 PolarHBondContact NE2-OG 3.35Å; Q219-L248 HydrophobicContact CB-CD2 3.54Å; Q219-L248 HydrophobicContact CG-CD2 3.83Å |
| 220 | I | 97.6 | Very high | 92 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.7 | 177.9 | -54.1 | 176 | 0 | 0 | 0 | 108.6 | T206 I207 I208 F232 V233 | T206-I220 HydrophobicContact CG2-CG2 4.18Å; I207-I220 CarbonylContact O-C 3.55Å; I207-I220 WeakPolarHBondContact O-CA 3.42Å; I208-I220 HydrophobicContact CG1-CG1 4.42Å; I208-I220 HydrophobicContact CG2-CG1 4.44Å; I220-F232 WeakPolarHBondContact O-CB 3.44Å; I220-F232 WeakPolarHBondContact O-CD1 3.11Å; I220-V233 HydrophobicContact CB-CG2 3.76Å; I220-V233 HydrophobicContact CG2-CG2 3.59Å; I220-V233 VanDerWaalsContact O-CG2 3.3Å; I220-V233 WeakPolarHBondContact O-CG2 3.3Å; I220-V233 PolarHBondContact O-N 2.99Å; I220-V233 VanDerWaalsContact O-N 3.13Å |
| 221 | Y | 98.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.4 | 166.6 | 177.8 | -89.7 | 0 | 0 | 0 | 108.8 | T206 I207 A223 V228 P229 A231 F232 V250 A259 I261 V272 | T206-Y221 WeakPolarHBondContact CA-O 3.47Å; I207-Y221 HydrophobicContact CD1-CD1 3.89Å; I207-Y221 HydrophobicContact CG1-CD1 4.43Å; I207-Y221 PolarHBondContact N-O 3.22Å; I207-Y221 PolarHBondContact O-N 3.14Å; Y221-A223 HydrophobicContact CE1-CB 3.79Å; Y221-V228 WeakPolarHBondContact OH-CG1 3.39Å; Y221-P229 HydrophobicContact CE2-CG 4.01Å; Y221-P229 WeakPolarHBondContact CE2-O 3.31Å; Y221-P229 PolarHBondContact OH-O 3.27Å; Y221-A231 WeakPolarHBondContact CD2-O 3.32Å; Y221-F232 HydrophobicContact CD2-CD1 4.4Å; Y221-V250 HydrophobicContact CE2-CG2 4.19Å; Y221-A259 HydrophobicContact CE2-CB 4.18Å; Y221-A259 WeakPolarHBondContact OH-CB 3.26Å; Y221-I261 HydrophobicContact CD1-CD1 3.55Å; Y221-I261 HydrophobicContact CD2-CD1 3.73Å; Y221-I261 HydrophobicContact CD2-CG1 4.36Å; Y221-I261 HydrophobicContact CE1-CD1 3.89Å; Y221-I261 HydrophobicContact CE2-CD1 4.05Å; Y221-I261 HydrophobicContact CG-CD1 3.47Å; Y221-I261 VanDerWaalsContact CG-CD1 3.47Å; Y221-V272 HydrophobicContact CE1-CB 4.3Å; Y221-V272 HydrophobicContact CE1-CG2 3.95Å |
| 222 | Q | 98.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 33% | 0.327 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 131.3 | 176.7 | -179.3 | 170.5 | -14.3 | 0 | 0 | 109.6 | T204 I205 E224 P229 V233 | T204-Q222 HydrophobicContact CG2-CG 4.4Å; I205-Q222 WeakPolarHBondContact O-CA 3.48Å; Q222-E224 PolarHBondContact NE2-OE1 3.07Å; Q222-P229 WeakPolarHBondContact O-CD 3.24Å; Q222-P229 VanDerWaalsContact O-CG 3.27Å; Q222-P229 WeakPolarHBondContact O-CG 3.47Å; Q222-V233 HydrophobicContact CB-CG2 4.29Å |
| 223 | A | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T204 I205 Y221 V228 V272 L279 | T204-A223 WeakPolarHBondContact CA-O 3.36Å; I205-A223 PolarHBondContact N-O 2.8Å; I205-A223 PolarHBondContact O-N 3.18Å; Y221-A223 HydrophobicContact CE1-CB 3.79Å; A223-V228 HydrophobicContact CB-CG1 4.36Å; A223-V228 HydrophobicContact CB-CG2 4.43Å; A223-V272 HydrophobicContact CB-CG1 3.78Å; A223-L279 HydrophobicContact CB-CD1 4.43Å |
| 224 | E | 97.1 | Very high | 93.9 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 166.2 | 176.2 | -70.3 | 177.5 | -171.2 | 0 | 0 | 108.9 | I203 T204 Q222 D226 N227 | I203-E224 WeakPolarHBondContact O-CA 3.43Å; T204-E224 HydrophobicContact CG2-CG 3.97Å; Q222-E224 PolarHBondContact NE2-OE1 3.07Å; E224-D226 PolarHBondContact O-N 2.77Å; E224-N227 PolarHBondContact N-O 3.45Å; E224-N227 CarbonylContact O-C 3.23Å; E224-N227 VanDerWaalsContact O-C 3.23Å; E224-N227 PolarHBondContact O-N 3.12Å |
| 225 | L | 93.5 | Very high | 94.5 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 137.1 | 170.6 | -69 | 179.5 | 0 | 0 | 0 | 110.7 | I203 N227 Q274 L279 | I203-L225 HydrophobicContact CB-CD1 4.18Å; I203-L225 HydrophobicContact CB-CG 4.28Å; I203-L225 HydrophobicContact CG2-CD1 3.8Å; I203-L225 HydrophobicContact CG2-CG 4.37Å; I203-L225 PolarHBondContact O-N 2.83Å; L225-N227 PolarHBondContact O-N 2.8Å; L225-Q274 HydrophobicContact CD2-CG 4.46Å; L225-L279 HydrophobicContact CD2-CD2 4.23Å; L225-L279 HydrophobicContact CD2-CG 4.11Å |
| 226 | D | 92.6 | Very high | 95 | Very high | 136 Ų | 136 | 53.8 Ų | 53.8 | 73% | 0.727 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 9.9 | -176.9 | -48.8 | -44.3 | 0 | 0 | 0 | 114.2 | E224 Q274 | E224-D226 PolarHBondContact O-N 2.77Å; D226-Q274 PolarHBondContact OD1-NE2 2.95Å |
| 227 | N | 95.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 57.1 Ų | 57.1 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -148.4 | 83.6 | 178.5 | -175.5 | 33.8 | 0 | 0 | 0 | 111.6 | E224 L225 P229 | E224-N227 PolarHBondContact N-O 3.45Å; E224-N227 CarbonylContact O-C 3.23Å; E224-N227 VanDerWaalsContact O-C 3.23Å; E224-N227 PolarHBondContact O-N 3.12Å; L225-N227 PolarHBondContact O-N 2.8Å; N227-P229 WeakPolarHBondContact O-CD 3.29Å |
| 228 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 92.1 | 166.7 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | Y221 A223 G256 A259 V272 Q274 L279 | Y221-V228 WeakPolarHBondContact OH-CG1 3.39Å; A223-V228 HydrophobicContact CB-CG1 4.36Å; A223-V228 HydrophobicContact CB-CG2 4.43Å; V228-G256 WeakPolarHBondContact CB-O 3.33Å; V228-G256 PolarHBondContact N-O 3.03Å; V228-G256 VanDerWaalsContact N-O 3.12Å; V228-G256 VanDerWaalsContact O-CA 3.27Å; V228-G256 WeakPolarHBondContact O-CA 3.27Å; V228-G256 PolarHBondContact O-N 2.9Å; V228-A259 HydrophobicContact CG1-CB 3.91Å; V228-V272 HydrophobicContact CG1-CB 4.34Å; V228-V272 HydrophobicContact CG1-CG1 4.04Å; V228-Q274 HydrophobicContact CG2-CB 3.97Å; V228-L279 HydrophobicContact CG2-CD2 3.97Å |
| 229 | P | 97.1 | Very high | 95.3 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 22% | 0.221 | 29% | 0.288 | C | S | . | . | trans | -73.6 | 151 | -172.8 | 29.4 | -35.7 | 0 | 0 | 0 | 111.9 | Y221 Q222 N227 A231 A259 | Y221-P229 HydrophobicContact CE2-CG 4.01Å; Y221-P229 WeakPolarHBondContact CE2-O 3.31Å; Y221-P229 PolarHBondContact OH-O 3.27Å; Q222-P229 WeakPolarHBondContact O-CD 3.24Å; Q222-P229 VanDerWaalsContact O-CG 3.27Å; Q222-P229 WeakPolarHBondContact O-CG 3.47Å; N227-P229 WeakPolarHBondContact O-CD 3.29Å; P229-A231 PolarHBondContact O-N 2.97Å; P229-A259 WeakPolarHBondContact O-CB 3.39Å | ||
| 230 | A | 96.2 | Very high | 94.6 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -91.4 | 29.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V237 V250 | A230-V237 WeakPolarHBondContact O-CG1 3.4Å; A230-V250 WeakPolarHBondContact O-CG1 3.48Å |
| 231 | A | 96.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -149.5 | 159.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y221 P229 S236 V237 | Y221-A231 WeakPolarHBondContact CD2-O 3.32Å; P229-A231 PolarHBondContact O-N 2.97Å; A231-S236 CarbonylContact C-O 3.58Å; A231-S236 WeakPolarHBondContact CA-O 3.36Å; A231-V237 HydrophobicContact CB-CG1 4.29Å |
| 232 | F | 97.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | trans | -75.7 | 170.9 | 168.8 | -61.2 | -66.9 | 0 | 0 | 0 | 111.3 | F209 Q219 I220 Y221 D234 G235 S236 L248 V250 I261 | F209-F232 HydrophobicContact CD2-CE1 4.39Å; F209-F232 HydrophobicContact CE2-CE1 4.02Å; Q219-F232 HydrophobicContact CG-CB 3.96Å; Q219-F232 HydrophobicContact CG-CD1 3.39Å; Q219-F232 HydrophobicContact CG-CD2 3.75Å; Q219-F232 HydrophobicContact CG-CE1 3.78Å; Q219-F232 HydrophobicContact CG-CE2 4.12Å; Q219-F232 HydrophobicContact CG-CG 3.4Å; Q219-F232 HydrophobicContact CG-CZ 4.16Å; I220-F232 WeakPolarHBondContact O-CB 3.44Å; I220-F232 WeakPolarHBondContact O-CD1 3.11Å; Y221-F232 HydrophobicContact CD2-CD1 4.4Å; F232-D234 WeakPolarHBondContact CB-OD1 3.38Å; F232-D234 PolarHBondContact O-N 3.07Å; F232-D234 VanDerWaalsContact O-N 3.17Å; F232-G235 WeakPolarHBondContact O-CA 3.47Å; F232-G235 PolarHBondContact O-N 3.33Å; F232-S236 WeakPolarHBondContact CD2-O 3.24Å; F232-S236 WeakPolarHBondContact CD2-OG 3.34Å; F232-S236 PolarHBondContact N-O 3.46Å; F232-L248 HydrophobicContact CE1-CD1 4.46Å; F232-L248 HydrophobicContact CE1-CD2 4.02Å; F232-L248 HydrophobicContact CE1-CG 4.23Å; F232-L248 HydrophobicContact CE2-CD2 4.36Å; F232-L248 HydrophobicContact CE2-CG 4.23Å; F232-L248 HydrophobicContact CZ-CD1 4.02Å; F232-L248 HydrophobicContact CZ-CD2 3.73Å; F232-L248 HydrophobicContact CZ-CG 3.55Å; F232-V250 HydrophobicContact CD2-CG1 4.21Å; F232-V250 HydrophobicContact CE2-CB 4.5Å; F232-V250 HydrophobicContact CE2-CG1 3.91Å; F232-V250 HydrophobicContact CZ-CB 4.21Å; F232-V250 HydrophobicContact CZ-CG1 4.1Å; F232-I261 HydrophobicContact CE1-CG2 4.21Å; F232-I261 HydrophobicContact CZ-CG2 4.3Å | ||
| 233 | V | 95.6 | Very high | 91.2 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24 | -175.1 | -153.9 | 0 | 0 | 0 | 0 | 112.9 | I220 Q222 G235 | I220-V233 HydrophobicContact CB-CG2 3.76Å; I220-V233 HydrophobicContact CG2-CG2 3.59Å; I220-V233 VanDerWaalsContact O-CG2 3.3Å; I220-V233 WeakPolarHBondContact O-CG2 3.3Å; I220-V233 PolarHBondContact O-N 2.99Å; I220-V233 VanDerWaalsContact O-N 3.13Å; Q222-V233 HydrophobicContact CB-CG2 4.29Å; V233-G235 VanDerWaalsContact C-N 3.27Å |
| 234 | D | 92.1 | Very high | 89.8 | Confident | 104 Ų | 104 | 62.9 Ų | 62.9 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.1 | 174 | 64.9 | -0.8 | 0 | 0 | 0 | 113.8 | Q219 F232 S236 | Q219-D234 PolarHBondContact NE2-OD1 2.82Å; Q219-D234 PolarHBondContact NE2-OD2 3.08Å; F232-D234 WeakPolarHBondContact CB-OD1 3.38Å; F232-D234 PolarHBondContact O-N 3.07Å; F232-D234 VanDerWaalsContact O-N 3.17Å; D234-S236 VanDerWaalsContact C-N 3.32Å; D234-S236 VanDerWaalsContact CG-OG 3.31Å; D234-S236 VanDerWaalsContact OD1-CB 3.32Å; D234-S236 WeakPolarHBondContact OD1-CB 3.33Å; D234-S236 PolarHBondContact OD1-N 2.89Å; D234-S236 PolarHBondContact OD1-OG 3.09Å; D234-S236 PolarHBondContact OD2-OG 2.94Å |
| 235 | G | 93.1 | Very high | 88.9 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 83.6 | -0.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | F232 V233 | F232-G235 WeakPolarHBondContact O-CA 3.47Å; F232-G235 PolarHBondContact O-N 3.33Å; V233-G235 VanDerWaalsContact C-N 3.27Å |
| 236 | S | 92.5 | Very high | 88.5 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | trans | -73.8 | 150.1 | 175.6 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | Q219 A231 F232 D234 | Q219-S236 PolarHBondContact NE2-OG 3.35Å; A231-S236 CarbonylContact C-O 3.58Å; A231-S236 WeakPolarHBondContact CA-O 3.36Å; F232-S236 WeakPolarHBondContact CD2-O 3.24Å; F232-S236 WeakPolarHBondContact CD2-OG 3.34Å; F232-S236 PolarHBondContact N-O 3.46Å; D234-S236 VanDerWaalsContact C-N 3.32Å; D234-S236 VanDerWaalsContact CG-OG 3.31Å; D234-S236 VanDerWaalsContact OD1-CB 3.32Å; D234-S236 WeakPolarHBondContact OD1-CB 3.33Å; D234-S236 PolarHBondContact OD1-N 2.89Å; D234-S236 PolarHBondContact OD1-OG 3.09Å; D234-S236 PolarHBondContact OD2-OG 2.94Å | ||
| 237 | V | 95.1 | Very high | 88.5 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -106.6 | -15.6 | 175.5 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | A230 A231 S249 V250 | A230-V237 WeakPolarHBondContact O-CG1 3.4Å; A231-V237 HydrophobicContact CB-CG1 4.29Å; V237-S249 CarbonylContact O-C 3.58Å; V237-S249 WeakPolarHBondContact O-CA 3.43Å; V237-V250 HydrophobicContact CB-CG1 4.39Å; V237-V250 WeakPolarHBondContact O-CG1 3.16Å; V237-V250 PolarHBondContact O-N 3.33Å |
| 238 | T | 93.3 | Very high | 88.5 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -138.5 | 150.8 | 178 | 52.4 | 0 | 0 | 0 | 0 | 108.5 | H246 L248 | T238-H246 HydrophobicContact CG2-CB 4.39Å; T238-L248 CarbonylContact C-O 3.55Å; T238-L248 WeakPolarHBondContact CA-O 3.25Å |
| 239 | S | 87.3 | Confident | 88.5 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 163.6 | 167.2 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | E241 H246 S247 L248 | S239-E241 PolarHBondContact O-N 3.08Å; S239-H246 PolarHBondContact O-ND1 2.8Å; S239-S247 PolarHBondContact OG-N 2.71Å; S239-L248 PolarHBondContact N-O 2.91Å; S239-L248 PolarHBondContact OG-N 3.29Å |
| 240 | E | 81.6 | Confident | 88.5 | Confident | 118 Ų | 118 | 53 Ų | 53 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 143.3 | 163.5 | -62.5 | -174 | 154.2 | 0 | 0 | 111 | R242 | E240-R242 PolarHBondContact O-N 3.06Å; E240-R242 IonicContact OE2-CZ 2.88Å; E240-R242 IonicContact OE2-NE 3.72Å; E240-R242 PolarHBondContact OE2-NE 2.95Å; E240-R242 IonicContact OE2-NH2 3.23Å; E240-R242 PolarHBondContact OE2-NH2 3.46Å |
| 241 | E | 80.8 | Confident | 88.5 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 118.7 | 172.6 | -171.4 | 180 | 177 | 0 | 0 | 108.5 | S239 G244 | S239-E241 PolarHBondContact O-N 3.08Å; E241-G244 VanDerWaalsContact OE1-CA 3.27Å; E241-G244 WeakPolarHBondContact OE1-CA 2.98Å |
| 242 | R | 73.4 | Confident | 88.4 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -127.3 | 128 | 174.8 | -64.3 | -161.1 | 175.5 | -171 | 0.1 | 109.1 | Q214 E217 E240 G244 Q245 | Q214-R242 WeakPolarHBondContact O-CD 3.27Å; E217-R242 VanDerWaalsContact CG-NH2 3.28Å; E217-R242 IonicContact OE1-CZ 3.68Å; E217-R242 IonicContact OE1-NH1 3.47Å; E217-R242 IonicContact OE1-NH2 2.83Å; E217-R242 PolarHBondContact OE1-NH2 3.03Å; E240-R242 PolarHBondContact O-N 3.06Å; E240-R242 IonicContact OE2-CZ 2.88Å; E240-R242 IonicContact OE2-NE 3.72Å; E240-R242 PolarHBondContact OE2-NE 2.95Å; E240-R242 IonicContact OE2-NH2 3.23Å; E240-R242 PolarHBondContact OE2-NH2 3.46Å; R242-G244 PolarHBondContact O-N 3.36Å; R242-Q245 PolarHBondContact N-O 3.42Å; R242-Q245 VanDerWaalsContact N-O 3.17Å; R242-Q245 PolarHBondContact O-N 3.43Å |
| 243 | Q | 69.3 | Low | 88.2 | Confident | 90 Ų | 90 | 61.5 Ų | 61.5 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 33 | -176.7 | -51.4 | -176.3 | -25.5 | 0 | 0 | 113.6 | I128 S129 | I128-Q243 PolarHBondContact O-NE2 2.69Å; I128-Q243 PolarHBondContact O-OE1 3.31Å; S129-Q243 PolarHBondContact O-OE1 2.88Å |
| 244 | G | 68.4 | Low | 87.9 | Confident | 52 Ų | 52 | 62 Ų | 62 | 54% | 0.536 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 9.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E241 R242 | E241-G244 VanDerWaalsContact OE1-CA 3.27Å; E241-G244 WeakPolarHBondContact OE1-CA 2.98Å; R242-G244 PolarHBondContact O-N 3.36Å |
| 245 | Q | 77.7 | Confident | 87.7 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -141.2 | 147.4 | -177.8 | -69 | 177.9 | 56.5 | 0 | 0 | 111.9 | I134 R242 | I134-Q245 VanDerWaalsContact CG1-OE1 3.23Å; R242-Q245 PolarHBondContact N-O 3.42Å; R242-Q245 VanDerWaalsContact N-O 3.17Å; R242-Q245 PolarHBondContact O-N 3.43Å |
| 246 | H | 86.2 | Confident | 87.6 | Confident | 90 Ų | 90 | 61 Ų | 61 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | trans | -92.6 | 117.4 | 167.4 | -59.2 | -81 | 0 | 0 | 0 | 108.8 | T238 S239 | T238-H246 HydrophobicContact CG2-CB 4.39Å; S239-H246 PolarHBondContact O-ND1 2.8Å | ||
| 247 | S | 91.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | trans | -101.2 | -2.1 | -173.4 | 71.6 | 0 | 0 | 0 | 0 | 113.8 | C215 I216 S239 A263 A264 H265 | C215-S247 PolarHBondContact O-OG 2.87Å; I216-S247 WeakPolarHBondContact CG2-OG 3.08Å; S239-S247 PolarHBondContact OG-N 2.71Å; S247-A263 CarbonylContact O-C 3.53Å; S247-A264 PolarHBondContact O-N 3.32Å; S247-H265 PolarHBondContact O-N 2.87Å; S247-H265 PolarHBondContact O-ND1 3.38Å | ||
| 248 | L | 95.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 136.5 | 171.3 | 174.3 | 67.7 | 0 | 0 | 0 | 109 | F209 I216 Q219 F232 T238 S239 I261 R262 A263 | F209-L248 HydrophobicContact CB-CD2 4.13Å; F209-L248 HydrophobicContact CD1-CD1 3.92Å; F209-L248 HydrophobicContact CD1-CD2 4.33Å; F209-L248 HydrophobicContact CD2-CD1 4.21Å; F209-L248 HydrophobicContact CD2-CD2 3.78Å; F209-L248 HydrophobicContact CE1-CD1 3.76Å; F209-L248 HydrophobicContact CE2-CD1 4.05Å; F209-L248 HydrophobicContact CE2-CD2 4.32Å; F209-L248 HydrophobicContact CG-CD1 4.16Å; F209-L248 HydrophobicContact CG-CD2 3.79Å; F209-L248 HydrophobicContact CZ-CD1 3.83Å; I216-L248 HydrophobicContact CD1-CD2 4.45Å; I216-L248 HydrophobicContact CG2-CB 4.05Å; Q219-L248 HydrophobicContact CB-CD2 3.54Å; Q219-L248 HydrophobicContact CG-CD2 3.83Å; F232-L248 HydrophobicContact CE1-CD1 4.46Å; F232-L248 HydrophobicContact CE1-CD2 4.02Å; F232-L248 HydrophobicContact CE1-CG 4.23Å; F232-L248 HydrophobicContact CE2-CD2 4.36Å; F232-L248 HydrophobicContact CE2-CG 4.23Å; F232-L248 HydrophobicContact CZ-CD1 4.02Å; F232-L248 HydrophobicContact CZ-CD2 3.73Å; F232-L248 HydrophobicContact CZ-CG 3.55Å; T238-L248 CarbonylContact C-O 3.55Å; T238-L248 WeakPolarHBondContact CA-O 3.25Å; S239-L248 PolarHBondContact N-O 2.91Å; S239-L248 PolarHBondContact OG-N 3.29Å; L248-I261 HydrophobicContact CD1-CG2 3.82Å; L248-R262 CarbonylContact C-O 3.59Å; L248-R262 VanDerWaalsContact CA-O 3.3Å; L248-R262 WeakPolarHBondContact CA-O 3.46Å; L248-A263 HydrophobicContact CD1-CB 3.81Å |
| 249 | S | 96.4 | Very high | 88 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 154.3 | -178.8 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | V237 H251 I261 R262 | V237-S249 CarbonylContact O-C 3.58Å; V237-S249 WeakPolarHBondContact O-CA 3.43Å; S249-H251 PolarHBondContact OG-CE1 3.4Å; S249-H251 VanDerWaalsContact OG-CE1 3.27Å; S249-I261 CarbonylContact O-C 3.6Å; S249-I261 WeakPolarHBondContact O-CA 3.29Å; S249-R262 PolarHBondContact N-O 2.96Å; S249-R262 PolarHBondContact O-N 3.43Å |
| 250 | V | 97.6 | Very high | 88.5 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135 | 174.8 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | Y221 A230 F232 V237 A259 E260 I261 | Y221-V250 HydrophobicContact CE2-CG2 4.19Å; A230-V250 WeakPolarHBondContact O-CG1 3.48Å; F232-V250 HydrophobicContact CD2-CG1 4.21Å; F232-V250 HydrophobicContact CE2-CB 4.5Å; F232-V250 HydrophobicContact CE2-CG1 3.91Å; F232-V250 HydrophobicContact CZ-CB 4.21Å; F232-V250 HydrophobicContact CZ-CG1 4.1Å; V237-V250 HydrophobicContact CB-CG1 4.39Å; V237-V250 WeakPolarHBondContact O-CG1 3.16Å; V237-V250 PolarHBondContact O-N 3.33Å; V250-A259 HydrophobicContact CG2-CB 4.08Å; V250-E260 CarbonylContact C-O 3.6Å; V250-E260 WeakPolarHBondContact CA-O 3.48Å; V250-I261 HydrophobicContact CB-CG1 4.2Å; V250-I261 HydrophobicContact CG2-CG1 3.91Å |
| 251 | H | 96.4 | Very high | 89.3 | Confident | 91 Ų | 91 | 54.2 Ų | 54.2 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156.9 | -178.2 | -59.6 | 79.2 | 0 | 0 | 0 | 108.9 | S249 A259 E260 | S249-H251 PolarHBondContact OG-CE1 3.4Å; S249-H251 VanDerWaalsContact OG-CE1 3.27Å; H251-A259 CarbonylContact O-C 3.6Å; H251-A259 WeakPolarHBondContact O-CA 3.46Å; H251-E260 PolarHBondContact N-O 2.89Å; H251-E260 PolarHBondContact O-N 2.95Å |
| 252 | S | 95.8 | Very high | 90.1 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | trans | -148.1 | 121.7 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 110 | L254 P255 Q258 | S252-L254 PolarHBondContact OG-N 2.96Å; S252-L254 PolarHBondContact OG-O 3.18Å; S252-P255 WeakPolarHBondContact OG-CA 3.35Å; S252-Q258 WeakPolarHBondContact CB-O 3.25Å; S252-Q258 PolarHBondContact OG-O 3.16Å | ||
| 253 | D | 91.1 | Very high | 91.2 | Very high | 128 Ų | 128 | 51.2 Ų | 51.2 | 68% | 0.684 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -83.6 | -25.6 | 171.6 | -61.3 | -34 | 0 | 0 | 0 | 111.3 | ||
| 254 | L | 90.8 | Very high | 92.5 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -126.6 | 85.2 | 178.2 | -63.3 | 173.6 | 0 | 0 | 0 | 109.8 | S252 G256 L257 Q258 | S252-L254 PolarHBondContact OG-N 2.96Å; S252-L254 PolarHBondContact OG-O 3.18Å; L254-G256 PolarHBondContact O-N 2.84Å; L254-L257 HydrophobicContact CB-CB 4.31Å; L254-L257 PolarHBondContact O-N 3.07Å; L254-Q258 HydrophobicContact CB-CB 4.06Å; L254-Q258 PolarHBondContact O-N 2.87Å |
| 255 | P | 87.8 | Confident | 93.6 | Very high | 109 Ų | 109 | 46 Ų | 46 | 71% | 0.708 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 131.9 | -175.7 | -27.5 | 35.2 | 0 | 0 | 0 | 112.6 | S252 L257 | S252-P255 WeakPolarHBondContact OG-CA 3.35Å; P255-L257 PolarHBondContact O-N 2.82Å |
| 256 | G | 90.2 | Very high | 94.5 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | 82.9 | -14.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V228 L254 | V228-G256 WeakPolarHBondContact CB-O 3.33Å; V228-G256 PolarHBondContact N-O 3.03Å; V228-G256 VanDerWaalsContact N-O 3.12Å; V228-G256 VanDerWaalsContact O-CA 3.27Å; V228-G256 WeakPolarHBondContact O-CA 3.27Å; V228-G256 PolarHBondContact O-N 2.9Å; L254-G256 PolarHBondContact O-N 2.84Å |
| 257 | L | 94.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 47% | 0.466 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -25.1 | -179.5 | -65.9 | 174.7 | 0 | 0 | 0 | 113.7 | L254 P255 R273 Q274 | L254-L257 HydrophobicContact CB-CB 4.31Å; L254-L257 PolarHBondContact O-N 3.07Å; P255-L257 PolarHBondContact O-N 2.82Å; L257-R273 CarbonylContact O-C 3.4Å; L257-R273 WeakPolarHBondContact O-CA 3.33Å; L257-Q274 HydrophobicContact CD2-CB 4.28Å; L257-Q274 PolarHBondContact O-N 3.43Å |
| 258 | Q | 96.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.4 | -179.1 | -178.9 | -167.5 | 18.2 | 0 | 0 | 110.5 | S252 L254 V271 V272 R273 | S252-Q258 WeakPolarHBondContact CB-O 3.25Å; S252-Q258 PolarHBondContact OG-O 3.16Å; L254-Q258 HydrophobicContact CB-CB 4.06Å; L254-Q258 PolarHBondContact O-N 2.87Å; Q258-V271 HydrophobicContact CG-CG1 4.34Å; Q258-V272 CarbonylContact C-O 3.55Å; Q258-V272 VanDerWaalsContact CA-O 3.3Å; Q258-V272 WeakPolarHBondContact CA-O 3.46Å; Q258-R273 HydrophobicContact CB-CG 4.09Å; Q258-R273 HydrophobicContact CG-CG 3.75Å |
| 259 | A | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y221 V228 P229 V250 H251 V271 V272 | Y221-A259 HydrophobicContact CE2-CB 4.18Å; Y221-A259 WeakPolarHBondContact OH-CB 3.26Å; V228-A259 HydrophobicContact CG1-CB 3.91Å; P229-A259 WeakPolarHBondContact O-CB 3.39Å; V250-A259 HydrophobicContact CG2-CB 4.08Å; H251-A259 CarbonylContact O-C 3.6Å; H251-A259 WeakPolarHBondContact O-CA 3.46Å; A259-V271 CarbonylContact O-C 3.59Å; A259-V271 WeakPolarHBondContact O-CA 3.3Å; A259-V272 PolarHBondContact N-O 3.07Å; A259-V272 PolarHBondContact O-N 3.36Å |
| 260 | E | 98.3 | Very high | 95.5 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.1 | 168.7 | -176.1 | 179.6 | 137.9 | 0 | 0 | 109.2 | V250 H251 R262 T269 L270 V271 | V250-E260 CarbonylContact C-O 3.6Å; V250-E260 WeakPolarHBondContact CA-O 3.48Å; H251-E260 PolarHBondContact N-O 2.89Å; H251-E260 PolarHBondContact O-N 2.95Å; E260-R262 HydrophobicContact CG-CG 4.48Å; E260-R262 IonicContact OE1-CZ 2.9Å; E260-R262 IonicContact OE1-NE 3.46Å; E260-R262 PolarHBondContact OE1-NE 2.84Å; E260-R262 IonicContact OE1-NH2 3.39Å; E260-R262 PolarHBondContact OE1-NH2 3.24Å; E260-T269 HydrophobicContact CG-CG2 3.93Å; E260-L270 CarbonylContact C-O 3.5Å; E260-L270 WeakPolarHBondContact CA-O 3.39Å; E260-V271 HydrophobicContact CB-CG2 4.13Å; E260-V271 HydrophobicContact CG-CG2 3.93Å |
| 261 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118.2 | -178.1 | -51.9 | 160.4 | 0 | 0 | 0 | 108.3 | I207 F209 Y221 F232 L248 S249 V250 T269 L270 | I207-I261 HydrophobicContact CD1-CD1 3.74Å; F209-I261 HydrophobicContact CE1-CG2 4.35Å; F209-I261 HydrophobicContact CE2-CG2 3.9Å; F209-I261 HydrophobicContact CZ-CB 4.42Å; F209-I261 HydrophobicContact CZ-CG2 3.43Å; F209-I261 VanDerWaalsContact CZ-CG2 3.43Å; Y221-I261 HydrophobicContact CD1-CD1 3.55Å; Y221-I261 HydrophobicContact CD2-CD1 3.73Å; Y221-I261 HydrophobicContact CD2-CG1 4.36Å; Y221-I261 HydrophobicContact CE1-CD1 3.89Å; Y221-I261 HydrophobicContact CE2-CD1 4.05Å; Y221-I261 HydrophobicContact CG-CD1 3.47Å; Y221-I261 VanDerWaalsContact CG-CD1 3.47Å; F232-I261 HydrophobicContact CE1-CG2 4.21Å; F232-I261 HydrophobicContact CZ-CG2 4.3Å; L248-I261 HydrophobicContact CD1-CG2 3.82Å; S249-I261 CarbonylContact O-C 3.6Å; S249-I261 WeakPolarHBondContact O-CA 3.29Å; V250-I261 HydrophobicContact CB-CG1 4.2Å; V250-I261 HydrophobicContact CG2-CG1 3.91Å; I261-T269 CarbonylContact O-C 3.51Å; I261-T269 WeakPolarHBondContact O-CA 3.32Å; I261-L270 HydrophobicContact CB-CB 4.43Å; I261-L270 PolarHBondContact N-O 3.32Å; I261-L270 PolarHBondContact O-N 2.92Å |
| 262 | R | 97.9 | Very high | 95.7 | Very high | 125 Ų | 125 | 35.1 Ų | 35.1 | 47% | 0.472 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.1 | 179.8 | -65.4 | -177.4 | -179.6 | 170.2 | 5.5 | 110.1 | L248 S249 E260 T269 | L248-R262 CarbonylContact C-O 3.59Å; L248-R262 VanDerWaalsContact CA-O 3.3Å; L248-R262 WeakPolarHBondContact CA-O 3.46Å; S249-R262 PolarHBondContact N-O 2.96Å; S249-R262 PolarHBondContact O-N 3.43Å; E260-R262 HydrophobicContact CG-CG 4.48Å; E260-R262 IonicContact OE1-CZ 2.9Å; E260-R262 IonicContact OE1-NE 3.46Å; E260-R262 PolarHBondContact OE1-NE 2.84Å; E260-R262 IonicContact OE1-NH2 3.39Å; E260-R262 PolarHBondContact OE1-NH2 3.24Å; R262-T269 HydrophobicContact CG-CG2 4.36Å |
| 263 | A | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 76.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F209 S247 L248 H265 I266 G267 T268 | F209-A263 HydrophobicContact CD1-CB 4.03Å; F209-A263 HydrophobicContact CE1-CB 3.69Å; S247-A263 CarbonylContact O-C 3.53Å; L248-A263 HydrophobicContact CD1-CB 3.81Å; A263-H265 PolarHBondContact O-N 3.27Å; A263-I266 HydrophobicContact CB-CD1 4.09Å; A263-I266 HydrophobicContact CB-CG1 3.74Å; A263-I266 CarbonylContact O-C 3.52Å; A263-I266 PolarHBondContact O-N 2.93Å; A263-I266 VanDerWaalsContact O-N 3.14Å; A263-G267 PolarHBondContact O-N 3.46Å; A263-T268 WeakPolarHBondContact CA-O 3.31Å; A263-T268 PolarHBondContact N-O 3.33Å; A263-T268 PolarHBondContact O-N 3.1Å |
| 264 | A | 94.9 | Very high | 96 | Very high | 33 Ų | 33 | 31 Ų | 31 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -59.9 | -31.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I134 Y135 S247 I266 G267 | I134-A264 HydrophobicContact CD1-CB 3.78Å; Y135-A264 WeakPolarHBondContact CB-O 3.47Å; Y135-A264 PolarHBondContact N-O 3.17Å; S247-A264 PolarHBondContact O-N 3.32Å; A264-I266 PolarHBondContact O-N 2.04Å; A264-G267 PolarHBondContact O-N 3.29Å |
| 265 | H | 93.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -62.4 | -24.1 | 177.2 | 60.9 | -77.2 | 0 | 0 | 0 | 114.4 | C133 W212 C215 I216 S247 A263 | C133-H265 WeakPolarHBondContact O-CA 3.09Å; C133-H265 WeakPolarHBondContact O-CB 3.42Å; C133-H265 PolarHBondContact O-N 3.3Å; W212-H265 HydrophobicContact CE3-CB 3.79Å; W212-H265 HydrophobicContact CZ3-CB 3.9Å; C215-H265 HydrophobicContact CB-CB 4.15Å; I216-H265 VanDerWaalsContact CD1-CE1 3.43Å; I216-H265 WeakPolarHBondContact CD1-CE1 3.37Å; I216-H265 VanDerWaalsContact CD1-NE2 3.25Å; I216-H265 WeakPolarHBondContact CD1-NE2 3.41Å; S247-H265 PolarHBondContact O-N 2.87Å; S247-H265 PolarHBondContact O-ND1 3.38Å; A263-H265 PolarHBondContact O-N 3.27Å |
| 266 | I | 95.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -121.6 | 14.9 | 174.8 | 56.2 | 166.8 | 0 | 0 | 0 | 112 | Y183 A263 A264 T268 P286 I289 | Y183-I266 HydrophobicContact CD1-CG2 3.89Å; Y183-I266 HydrophobicContact CG-CG2 4.01Å; A263-I266 HydrophobicContact CB-CD1 4.09Å; A263-I266 HydrophobicContact CB-CG1 3.74Å; A263-I266 CarbonylContact O-C 3.52Å; A263-I266 PolarHBondContact O-N 2.93Å; A263-I266 VanDerWaalsContact O-N 3.14Å; A264-I266 PolarHBondContact O-N 2.04Å; I266-T268 PolarHBondContact O-N 3.38Å; I266-T268 PolarHBondContact O-OG1 2.91Å; I266-T268 VanDerWaalsContact O-OG1 3.04Å; I266-P286 WeakPolarHBondContact O-CD 2.98Å; I266-I289 HydrophobicContact CB-CD1 4.35Å; I266-I289 HydrophobicContact CB-CG1 4.44Å; I266-I289 HydrophobicContact CB-CG2 4.18Å; I266-I289 HydrophobicContact CD1-CG2 4.47Å; I266-I289 HydrophobicContact CG2-CD1 4.38Å |
| 267 | G | 96.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 30 Ų | 30 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 22.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y149 A263 A264 P286 | Y149-G267 VanDerWaalsContact CE1-O 3.31Å; Y149-G267 WeakPolarHBondContact CE1-O 3.46Å; A263-G267 PolarHBondContact O-N 3.46Å; A264-G267 PolarHBondContact O-N 3.29Å; G267-P286 WeakPolarHBondContact O-CD 3.44Å |
| 268 | T | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.5 | -171.1 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | A263 I266 L270 V283 R284 S285 | A263-T268 WeakPolarHBondContact CA-O 3.31Å; A263-T268 PolarHBondContact N-O 3.33Å; A263-T268 PolarHBondContact O-N 3.1Å; I266-T268 PolarHBondContact O-N 3.38Å; I266-T268 PolarHBondContact O-OG1 2.91Å; I266-T268 VanDerWaalsContact O-OG1 3.04Å; T268-L270 HydrophobicContact CG2-CD1 3.81Å; T268-L270 HydrophobicContact CG2-CG 4.25Å; T268-V283 HydrophobicContact CG2-CG1 4.07Å; T268-R284 CarbonylContact C-O 3.6Å; T268-R284 VanDerWaalsContact CA-O 3.29Å; T268-R284 WeakPolarHBondContact CA-O 3.26Å; T268-R284 WeakPolarHBondContact CG2-O 3.34Å; T268-S285 PolarHBondContact OG1-OG 2.76Å |
| 269 | T | 98.6 | Very high | 96 | Very high | 26 Ų | 26 | 25.8 Ų | 25.8 | 16% | 0.16 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.5 | 173 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | E260 I261 R262 R284 | E260-T269 HydrophobicContact CG-CG2 3.93Å; I261-T269 CarbonylContact O-C 3.51Å; I261-T269 WeakPolarHBondContact O-CA 3.32Å; R262-T269 HydrophobicContact CG-CG2 4.36Å; T269-R284 PolarHBondContact N-O 3.17Å; T269-R284 PolarHBondContact O-N 3.05Å |
| 270 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.4 | 177 | -56.4 | 98.5 | 0 | 0 | 0 | 108.9 | L184 V186 I207 F209 E260 I261 T268 L281 S282 V283 | L184-L270 HydrophobicContact CD2-CD1 4.48Å; L184-L270 HydrophobicContact CD2-CD2 3.94Å; V186-L270 HydrophobicContact CG2-CD2 4.17Å; I207-L270 HydrophobicContact CD1-CB 4.47Å; I207-L270 HydrophobicContact CD1-CD2 4.02Å; I207-L270 HydrophobicContact CG2-CD2 4.31Å; F209-L270 HydrophobicContact CE1-CD1 3.9Å; F209-L270 HydrophobicContact CZ-CD1 3.93Å; E260-L270 CarbonylContact C-O 3.5Å; E260-L270 WeakPolarHBondContact CA-O 3.39Å; I261-L270 HydrophobicContact CB-CB 4.43Å; I261-L270 PolarHBondContact N-O 3.32Å; I261-L270 PolarHBondContact O-N 2.92Å; T268-L270 HydrophobicContact CG2-CD1 3.81Å; T268-L270 HydrophobicContact CG2-CG 4.25Å; L270-L281 HydrophobicContact CB-CD1 4.4Å; L270-L281 HydrophobicContact CD2-CD1 4.33Å; L270-S282 CarbonylContact C-O 3.55Å; L270-S282 WeakPolarHBondContact CA-O 3.4Å; L270-V283 HydrophobicContact CD2-CG1 4.33Å; L270-V283 HydrophobicContact CD2-CG2 3.9Å; L270-V283 HydrophobicContact CG-CG1 4.31Å; L270-V283 HydrophobicContact CG-CG2 4.33Å |
| 271 | V | 98.6 | Very high | 96 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.7 | 171.3 | 171.2 | 0 | 0 | 0 | 0 | 107.7 | Q258 A259 E260 R273 L281 S282 M380 | Q258-V271 HydrophobicContact CG-CG1 4.34Å; A259-V271 CarbonylContact O-C 3.59Å; A259-V271 WeakPolarHBondContact O-CA 3.3Å; E260-V271 HydrophobicContact CB-CG2 4.13Å; E260-V271 HydrophobicContact CG-CG2 3.93Å; V271-R273 HydrophobicContact CG1-CG 3.76Å; V271-L281 WeakPolarHBondContact O-CA 3.05Å; V271-S282 PolarHBondContact N-O 3.03Å; V271-S282 PolarHBondContact O-N 3.06Å; V271-M380 HydrophobicContact CB-CE 3.66Å; V271-M380 HydrophobicContact CG2-CE 3.27Å |
| 272 | V | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.4 | 171.3 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | I205 I207 Y221 A223 V228 Q258 A259 G280 L281 | I205-V272 HydrophobicContact CD1-CG1 3.91Å; I205-V272 HydrophobicContact CG2-CG2 4.21Å; I207-V272 HydrophobicContact CD1-CG2 3.94Å; Y221-V272 HydrophobicContact CE1-CB 4.3Å; Y221-V272 HydrophobicContact CE1-CG2 3.95Å; A223-V272 HydrophobicContact CB-CG1 3.78Å; V228-V272 HydrophobicContact CG1-CB 4.34Å; V228-V272 HydrophobicContact CG1-CG1 4.04Å; Q258-V272 CarbonylContact C-O 3.55Å; Q258-V272 VanDerWaalsContact CA-O 3.3Å; Q258-V272 WeakPolarHBondContact CA-O 3.46Å; A259-V272 PolarHBondContact N-O 3.07Å; A259-V272 PolarHBondContact O-N 3.36Å; V272-G280 WeakPolarHBondContact CA-O 3.12Å; V272-L281 HydrophobicContact CG2-CD1 3.73Å |
| 273 | R | 97.3 | Very high | 96.1 | Very high | 46 Ų | 46 | 18.6 Ų | 18.6 | 17% | 0.174 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.3 | -179.8 | -79.1 | 172.9 | 172.8 | -167.9 | -5.7 | 110.5 | L257 Q258 V271 L279 G280 A372 E375 D376 | L257-R273 CarbonylContact O-C 3.4Å; L257-R273 WeakPolarHBondContact O-CA 3.33Å; Q258-R273 HydrophobicContact CB-CG 4.09Å; Q258-R273 HydrophobicContact CG-CG 3.75Å; V271-R273 HydrophobicContact CG1-CG 3.76Å; R273-L279 CarbonylContact O-C 3.52Å; R273-L279 VanDerWaalsContact O-CA 3.31Å; R273-L279 WeakPolarHBondContact O-CA 3.35Å; R273-G280 PolarHBondContact N-O 2.97Å; R273-G280 PolarHBondContact O-N 2.83Å; R273-A372 PolarHBondContact NH1-O 2.04Å; R273-E375 IonicContact NH1-OE2 4Å; R273-D376 IonicContact CZ-OD1 3.18Å; R273-D376 IonicContact NE-OD1 3.91Å; R273-D376 PolarHBondContact NE-OD1 3.34Å; R273-D376 IonicContact NE-OD2 3.38Å; R273-D376 IonicContact NH1-OD1 3.94Å; R273-D376 PolarHBondContact NH1-OD1 3.33Å; R273-D376 IonicContact NH2-OD1 3.71Å; R273-D376 PolarHBondContact NH2-OD1 3.28Å |
| 274 | Q | 95.9 | Very high | 96.1 | Very high | 24 Ų | 24 | 21.4 Ų | 21.4 | 11% | 0.112 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.8 | 163 | -177.4 | 171.3 | -30.5 | 0 | 0 | 109.4 | L225 D226 V228 L257 G276 S278 L279 | L225-Q274 HydrophobicContact CD2-CG 4.46Å; D226-Q274 PolarHBondContact OD1-NE2 2.95Å; V228-Q274 HydrophobicContact CG2-CB 3.97Å; L257-Q274 HydrophobicContact CD2-CB 4.28Å; L257-Q274 PolarHBondContact O-N 3.43Å; Q274-G276 PolarHBondContact NE2-O 3.19Å; Q274-G276 VanDerWaalsContact NE2-O 3.09Å; Q274-S278 WeakPolarHBondContact CA-O 3.34Å; Q274-L279 HydrophobicContact CB-CD2 3.88Å; Q274-L279 HydrophobicContact CG-CD2 4.26Å |
| 275 | S | 93.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 20 Ų | 20 | 13% | 0.133 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 104.4 | 174.7 | -65.7 | 0 | 0 | 0 | 0 | 108.6 | R277 S278 | S275-R277 PolarHBondContact O-N 2.72Å; S275-R277 VanDerWaalsContact O-N 3.14Å; S275-S278 PolarHBondContact N-O 3.11Å; S275-S278 PolarHBondContact O-N 3.16Å |
| 276 | G | 88.7 | Confident | 96.5 | Very high | 43 Ų | 43 | 20 Ų | 20 | 44% | 0.443 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -115.7 | -171 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q274 | Q274-G276 PolarHBondContact NE2-O 3.19Å; Q274-G276 VanDerWaalsContact NE2-O 3.09Å |
| 277 | R | 88.6 | Confident | 96.6 | Very high | 157 Ų | 157 | 21.5 Ų | 21.5 | 59% | 0.592 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 22.3 | -178.2 | -58.6 | -169 | 70 | -132.9 | -6.1 | 113.6 | M193 S275 | M193-R277 HydrophobicContact CE-CB 4.25Å; S275-R277 PolarHBondContact O-N 2.72Å; S275-R277 VanDerWaalsContact O-N 3.14Å |
| 278 | S | 93.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.6 | 173.4 | -169.5 | 0 | 0 | 0 | 0 | 110.5 | L202 Q274 S275 | L202-S278 PolarHBondContact N-OG 2.84Å; L202-S278 CarbonylContact O-C 3.51Å; L202-S278 WeakPolarHBondContact O-CA 3.41Å; Q274-S278 WeakPolarHBondContact CA-O 3.34Å; S275-S278 PolarHBondContact N-O 3.11Å; S275-S278 PolarHBondContact O-N 3.16Å |
| 279 | L | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 160.7 | 161.2 | -59 | -179.8 | 0 | 0 | 0 | 110.3 | L202 I203 I205 A223 L225 V228 R273 Q274 | L202-L279 HydrophobicContact CB-CB 4.05Å; L202-L279 WeakPolarHBondContact CB-O 3.3Å; L202-L279 PolarHBondContact O-N 3.33Å; I203-L279 WeakPolarHBondContact O-CD1 3.33Å; I205-L279 HydrophobicContact CB-CD1 4.49Å; I205-L279 HydrophobicContact CD1-CB 3.71Å; I205-L279 HydrophobicContact CD1-CD1 4.25Å; I205-L279 HydrophobicContact CG1-CB 4.29Å; I205-L279 HydrophobicContact CG1-CD1 4.13Å; A223-L279 HydrophobicContact CB-CD1 4.43Å; L225-L279 HydrophobicContact CD2-CD2 4.23Å; L225-L279 HydrophobicContact CD2-CG 4.11Å; V228-L279 HydrophobicContact CG2-CD2 3.97Å; R273-L279 CarbonylContact O-C 3.52Å; R273-L279 VanDerWaalsContact O-CA 3.31Å; R273-L279 WeakPolarHBondContact O-CA 3.35Å; Q274-L279 HydrophobicContact CB-CD2 3.88Å; Q274-L279 HydrophobicContact CG-CD2 4.26Å |
| 280 | G | 97.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 152.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V154 V272 R273 | V154-G280 CarbonylContact O-C 3.53Å; V154-G280 WeakPolarHBondContact O-CA 3.16Å; V272-G280 WeakPolarHBondContact CA-O 3.12Å; R273-G280 PolarHBondContact N-O 2.97Å; R273-G280 PolarHBondContact O-N 2.83Å |
| 281 | L | 98.7 | Very high | 96 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.1 | 177.3 | -178.3 | 74 | 0 | 0 | 0 | 110 | G153 V154 L178 V186 I205 I207 L270 V271 V272 V283 | G153-L281 CarbonylContact C-O 3.57Å; G153-L281 WeakPolarHBondContact CA-O 3.46Å; V154-L281 PolarHBondContact N-O 3.08Å; V154-L281 PolarHBondContact O-N 3.47Å; L178-L281 HydrophobicContact CD1-CB 4.43Å; L178-L281 HydrophobicContact CD1-CD2 3.57Å; V186-L281 HydrophobicContact CG1-CD2 3.59Å; I205-L281 HydrophobicContact CD1-CB 4.11Å; I207-L281 HydrophobicContact CD1-CD1 4.28Å; L270-L281 HydrophobicContact CB-CD1 4.4Å; L270-L281 HydrophobicContact CD2-CD1 4.33Å; V271-L281 WeakPolarHBondContact O-CA 3.05Å; V272-L281 HydrophobicContact CG2-CD1 3.73Å; L281-V283 HydrophobicContact CD1-CG2 4.25Å; L281-V283 HydrophobicContact CD2-CG2 3.68Å; L281-V283 HydrophobicContact CG-CG2 3.75Å |
| 282 | S | 98.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.1 | 169.9 | -65.5 | 0 | 0 | 0 | 0 | 109.1 | C152 L270 V271 D376 | C152-S282 CarbonylContact O-C 3.56Å; L270-S282 CarbonylContact C-O 3.55Å; L270-S282 WeakPolarHBondContact CA-O 3.4Å; V271-S282 PolarHBondContact N-O 3.03Å; V271-S282 PolarHBondContact O-N 3.06Å; S282-D376 WeakPolarHBondContact CB-OD2 3.33Å; S282-D376 WeakPolarHBondContact OG-CB 3.44Å; S282-D376 PolarHBondContact OG-OD2 3.06Å |
| 283 | V | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.8 | -176.2 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | H151 C152 F163 I179 T268 L270 L281 | H151-V283 CarbonylContact C-O 3.59Å; H151-V283 VanDerWaalsContact CA-O 3.24Å; H151-V283 WeakPolarHBondContact CA-O 3.49Å; H151-V283 PolarHBondContact ND1-O 3.2Å; H151-V283 VanDerWaalsContact ND1-O 3.07Å; C152-V283 HydrophobicContact CB-CB 4.42Å; C152-V283 PolarHBondContact N-O 3.23Å; C152-V283 PolarHBondContact O-N 3.3Å; F163-V283 HydrophobicContact CE1-CB 4.49Å; F163-V283 HydrophobicContact CE1-CG1 4.33Å; F163-V283 HydrophobicContact CZ-CG1 4.15Å; I179-V283 HydrophobicContact CD1-CB 4.38Å; I179-V283 HydrophobicContact CD1-CG1 3.93Å; I179-V283 HydrophobicContact CD1-CG2 4.04Å; T268-V283 HydrophobicContact CG2-CG1 4.07Å; L270-V283 HydrophobicContact CD2-CG1 4.33Å; L270-V283 HydrophobicContact CD2-CG2 3.9Å; L270-V283 HydrophobicContact CG-CG1 4.31Å; L270-V283 HydrophobicContact CG-CG2 4.33Å; L281-V283 HydrophobicContact CD1-CG2 4.25Å; L281-V283 HydrophobicContact CD2-CG2 3.68Å; L281-V283 HydrophobicContact CG-CG2 3.75Å |
| 284 | R | 98.5 | Very high | 94.9 | Very high | 60 Ų | 60 | 31.8 Ų | 31.8 | 23% | 0.226 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120 | 165.8 | -178.3 | -176.1 | 167.4 | -144 | -8.2 | 108.2 | Y149 L150 T268 T269 M380 | Y149-R284 HydrophobicContact CD1-CG 3.76Å; Y149-R284 HydrophobicContact CG-CG 4.24Å; L150-R284 WeakPolarHBondContact O-CA 3.08Å; T268-R284 CarbonylContact C-O 3.6Å; T268-R284 VanDerWaalsContact CA-O 3.29Å; T268-R284 WeakPolarHBondContact CA-O 3.26Å; T268-R284 WeakPolarHBondContact CG2-O 3.34Å; T269-R284 PolarHBondContact N-O 3.17Å; T269-R284 PolarHBondContact O-N 3.05Å; R284-M380 HydrophobicContact CB-CB 3.97Å; R284-M380 HydrophobicContact CB-CG 3.95Å; R284-M380 HydrophobicContact CB-SD 3.91Å; R284-M380 VanDerWaalsContact CD-O 3.32Å; R284-M380 WeakPolarHBondContact CD-O 3.21Å; R284-M380 HydrophobicContact CG-CB 4.42Å |
| 285 | S | 98.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146 | -179 | -164.1 | 0 | 0 | 0 | 0 | 111.4 | L150 T268 | L150-S285 PolarHBondContact N-O 3.45Å; L150-S285 PolarHBondContact O-N 3.02Å; T268-S285 PolarHBondContact OG1-OG 2.76Å |
| 286 | P | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 143.2 | 171.4 | -20.6 | 32 | 0 | 0 | 0 | 110.9 | Y135 P147 D148 Y149 I266 G267 A288 I289 A290 | Y135-P286 HydrophobicContact CD1-CB 4.45Å; Y135-P286 HydrophobicContact CD1-CG 3.74Å; Y135-P286 HydrophobicContact CE1-CB 3.57Å; Y135-P286 HydrophobicContact CE1-CG 3.35Å; P147-P286 HydrophobicContact CB-CB 4.35Å; D148-P286 WeakPolarHBondContact O-CA 3.33Å; Y149-P286 HydrophobicContact CD1-CG 4.29Å; Y149-P286 HydrophobicContact CE1-CB 4.46Å; Y149-P286 HydrophobicContact CE1-CG 3.7Å; I266-P286 WeakPolarHBondContact O-CD 2.98Å; G267-P286 WeakPolarHBondContact O-CD 3.44Å; P286-A288 VanDerWaalsContact C-N 3.28Å; P286-A288 PolarHBondContact O-N 2.97Å; P286-I289 HydrophobicContact CB-CB 4.39Å; P286-I289 HydrophobicContact CB-CG1 4.1Å; P286-I289 HydrophobicContact CG-CG1 4.09Å; P286-I289 PolarHBondContact O-N 3.34Å; P286-A290 PolarHBondContact O-N 3.2Å |
| 287 | S | 95.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.2 | -45.1 | 179.2 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | D148 I289 A290 E291 | D148-S287 PolarHBondContact O-N 3.26Å; S287-I289 PolarHBondContact O-N 2.67Å; S287-I289 VanDerWaalsContact O-N 3.14Å; S287-A290 PolarHBondContact O-N 3.22Å; S287-E291 VanDerWaalsContact O-CB 3.32Å; S287-E291 WeakPolarHBondContact O-CB 3.5Å; S287-E291 WeakPolarHBondContact O-CG 3.38Å; S287-E291 PolarHBondContact O-N 3.3Å |
| 288 | A | 94.1 | Very high | 93.2 | Very high | 56 Ų | 56 | 39.8 Ų | 39.8 | 46% | 0.463 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -18.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P286 A292 | P286-A288 VanDerWaalsContact C-N 3.28Å; P286-A288 PolarHBondContact O-N 2.97Å; A288-A292 WeakPolarHBondContact O-CB 3.41Å |
| 289 | I | 96 | Very high | 93.1 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -93.1 | -45.6 | 175.8 | -62.9 | -61.2 | 0 | 0 | 0 | 109.9 | Y135 N181 Y183 I266 P286 S287 E291 A292 | Y135-I289 HydrophobicContact CD2-CD1 4.27Å; Y135-I289 HydrophobicContact CD2-CG1 4.35Å; Y135-I289 HydrophobicContact CE2-CD1 3.79Å; Y135-I289 HydrophobicContact CE2-CG1 3.8Å; N181-I289 PolarHBondContact ND2-O 3.4Å; Y183-I289 HydrophobicContact CD2-CB 4.41Å; Y183-I289 HydrophobicContact CD2-CD1 3.81Å; Y183-I289 HydrophobicContact CD2-CG2 3.76Å; Y183-I289 HydrophobicContact CE1-CD1 4.45Å; Y183-I289 HydrophobicContact CE2-CD1 3.49Å; Y183-I289 VanDerWaalsContact CE2-CD1 3.49Å; Y183-I289 HydrophobicContact CE2-CG2 4.41Å; Y183-I289 HydrophobicContact CG-CD1 4.38Å; Y183-I289 HydrophobicContact CG-CG2 4.33Å; I266-I289 HydrophobicContact CB-CD1 4.35Å; I266-I289 HydrophobicContact CB-CG1 4.44Å; I266-I289 HydrophobicContact CB-CG2 4.18Å; I266-I289 HydrophobicContact CD1-CG2 4.47Å; I266-I289 HydrophobicContact CG2-CD1 4.38Å; P286-I289 HydrophobicContact CB-CB 4.39Å; P286-I289 HydrophobicContact CB-CG1 4.1Å; P286-I289 HydrophobicContact CG-CG1 4.09Å; P286-I289 PolarHBondContact O-N 3.34Å; S287-I289 PolarHBondContact O-N 2.67Å; S287-I289 VanDerWaalsContact O-N 3.14Å; I289-E291 PolarHBondContact O-N 2.98Å; I289-A292 PolarHBondContact O-N 2.68Å |
| 290 | A | 96.3 | Very high | 93 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -33.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L150 F163 P286 S287 F293 | L150-A290 HydrophobicContact CD1-CB 4.15Å; F163-A290 HydrophobicContact CD2-CB 4.02Å; F163-A290 HydrophobicContact CE2-CB 3.88Å; F163-A290 HydrophobicContact CG-CB 4.4Å; F163-A290 HydrophobicContact CZ-CB 4.16Å; P286-A290 PolarHBondContact O-N 3.2Å; S287-A290 PolarHBondContact O-N 3.22Å; A290-F293 WeakPolarHBondContact O-CD1 3.39Å |
| 291 | E | 94.1 | Very high | 92.9 | Very high | 117 Ų | 117 | 42.3 Ų | 42.3 | 55% | 0.547 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 3.8 | -175.8 | -61.3 | 178.4 | 173.5 | 0 | 0 | 114.1 | S287 I289 F293 | S287-E291 VanDerWaalsContact O-CB 3.32Å; S287-E291 WeakPolarHBondContact O-CB 3.5Å; S287-E291 WeakPolarHBondContact O-CG 3.38Å; S287-E291 PolarHBondContact O-N 3.3Å; I289-E291 PolarHBondContact O-N 2.98Å; E291-F293 PolarHBondContact O-N 3Å; E291-F293 VanDerWaalsContact O-N 3.16Å |
| 292 | A | 94.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | trans | -88.5 | 73 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | N181 E182 Y183 A288 I289 | N181-A292 WeakPolarHBondContact CB-O 3.1Å; E182-A292 WeakPolarHBondContact CG-O 3.49Å; E182-A292 PolarHBondContact N-O 3.27Å; Y183-A292 HydrophobicContact CD2-CB 4.27Å; Y183-A292 HydrophobicContact CE2-CB 3.58Å; A288-A292 WeakPolarHBondContact O-CB 3.41Å; I289-A292 PolarHBondContact O-N 2.68Å | ||
| 293 | F | 90.9 | Very high | 92.8 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 21% | 0.211 | 23% | 0.233 | C | C | . | . | trans | -135.3 | 157.8 | 177.9 | 53.9 | -101.9 | 0 | 0 | 0 | 111.4 | N181 A290 E291 Q297 V303 Y304 | N181-F293 HydrophobicContact CB-CB 4.09Å; A290-F293 WeakPolarHBondContact O-CD1 3.39Å; E291-F293 PolarHBondContact O-N 3Å; E291-F293 VanDerWaalsContact O-N 3.16Å; F293-Q297 VanDerWaalsContact CA-OE1 3.23Å; F293-Q297 HydrophobicContact CB-CB 4.23Å; F293-V303 HydrophobicContact CE1-CG1 3.94Å; F293-V303 HydrophobicContact CE1-CG2 3.94Å; F293-V303 HydrophobicContact CZ-CG1 3.78Å; F293-Y304 VanDerWaalsContact CE2-OH 3.23Å; F293-Y304 WeakPolarHBondContact CE2-OH 3.46Å | ||
| 294 | T | 86.4 | Confident | 92.6 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 33% | 0.325 | 25% | 0.25 | S | C | . | . | trans | -89.5 | 162.2 | 179.9 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | E296 Q297 | T294-E296 WeakPolarHBondContact CB-OE2 3.47Å; T294-E296 PolarHBondContact O-N 3.25Å; T294-E296 VanDerWaalsContact O-N 3.13Å; T294-E296 PolarHBondContact OG1-OE2 2.89Å; T294-Q297 WeakPolarHBondContact O-CB 3.49Å; T294-Q297 PolarHBondContact O-N 3.3Å | ||
| 295 | P | 80.2 | Confident | 92.4 | Very high | 113 Ų | 113 | 44.2 Ų | 44.2 | 73% | 0.734 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.2 | 178.2 | -24.3 | 35.4 | 0 | 0 | 0 | 114.5 | Q297 | P295-Q297 PolarHBondContact O-N 2.83Š|
| 296 | E | 82.5 | Confident | 92.2 | Very high | 148 Ų | 148 | 44.1 Ų | 44.1 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -15.4 | 175.5 | -59.7 | 74.6 | -158.9 | 0 | 0 | 112.9 | T294 D298 | T294-E296 WeakPolarHBondContact CB-OE2 3.47Å; T294-E296 PolarHBondContact O-N 3.25Å; T294-E296 VanDerWaalsContact O-N 3.13Å; T294-E296 PolarHBondContact OG1-OE2 2.89Å; E296-D298 VanDerWaalsContact C-N 3.29Å; E296-D298 PolarHBondContact O-N 2.71Å |
| 297 | Q | 85.2 | Confident | 92 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | trans | -94.8 | 53.4 | 178.8 | -56.1 | 178.3 | -70 | 0 | 0 | 110.1 | D180 F293 T294 P295 L299 Q300 | D180-Q297 PolarHBondContact O-NE2 3.07Å; D180-Q297 PolarHBondContact OD1-NE2 3.14Å; D180-Q297 WeakPolarHBondContact OD2-CG 3.41Å; D180-Q297 PolarHBondContact OD2-NE2 2.79Å; F293-Q297 VanDerWaalsContact CA-OE1 3.23Å; F293-Q297 HydrophobicContact CB-CB 4.23Å; T294-Q297 WeakPolarHBondContact O-CB 3.49Å; T294-Q297 PolarHBondContact O-N 3.3Å; P295-Q297 PolarHBondContact O-N 2.83Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 3.3Å; Q297-Q300 PolarHBondContact O-NE2 2.88Å | ||
| 298 | D | 83.7 | Confident | 91.7 | Very high | 125 Ų | 125 | 49.1 Ų | 49.1 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | trans | -81.9 | -4.2 | -171.5 | 66.9 | -10.1 | 0 | 0 | 0 | 114.6 | E296 | E296-D298 VanDerWaalsContact C-N 3.29Å; E296-D298 PolarHBondContact O-N 2.71Å | ||
| 299 | L | 89.5 | Confident | 91.5 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 37% | 0.366 | 28% | 0.283 | S | S | . | . | trans | -118.5 | 102.5 | 176.8 | -175.4 | 66.8 | 0 | 0 | 0 | 110.9 | W176 P177 Q297 P307 | W176-L299 HydrophobicContact CE3-CD1 4.33Å; W176-L299 HydrophobicContact CE3-CD2 4.16Å; W176-L299 HydrophobicContact CZ3-CD1 4.08Å; W176-L299 HydrophobicContact CZ3-CD2 4.11Å; P177-L299 HydrophobicContact CG-CB 4.3Å; P177-L299 HydrophobicContact CG-CD2 3.95Å; P177-L299 HydrophobicContact CG-CG 3.82Å; P177-L299 WeakPolarHBondContact CG-O 3.32Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 3.3Å; L299-P307 HydrophobicContact CD1-CG 4.06Å | ||
| 300 | Q | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | trans | -151.2 | 112.5 | 177.8 | -62.3 | -179.4 | 65.7 | 0 | 0 | 110.4 | P177 D180 Q297 C302 V303 Y304 | P177-Q300 WeakPolarHBondContact O-CA 3.4Å; D180-Q300 HydrophobicContact CB-CG 4.08Å; D180-Q300 PolarHBondContact O-NE2 2.8Å; D180-Q300 VanDerWaalsContact O-NE2 3.08Å; D180-Q300 PolarHBondContact O-OE1 2.76Å; D180-Q300 VanDerWaalsContact O-OE1 3.09Å; Q297-Q300 PolarHBondContact O-NE2 2.88Å; Q300-C302 VanDerWaalsContact C-N 3.32Å; Q300-C302 PolarHBondContact O-N 2.99Å; Q300-V303 HydrophobicContact CB-CB 4.12Å; Q300-V303 HydrophobicContact CB-CG2 4.01Å; Q300-V303 PolarHBondContact O-N 2.84Å; Q300-V303 VanDerWaalsContact O-N 3.1Å; Q300-Y304 HydrophobicContact CB-CD2 4.44Å; Q300-Y304 PolarHBondContact O-N 3.47Å | ||
| 301 | L | 96.7 | Very high | 91 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | -174.3 | -61 | -168.7 | 0 | 0 | 0 | 112.9 | V160 V172 W176 P177 L178 V303 G305 C306 | V160-L301 HydrophobicContact CG1-CB 4.35Å; V160-L301 WeakPolarHBondContact CG1-O 3.42Å; V160-L301 HydrophobicContact CG2-CD1 4.4Å; V172-L301 HydrophobicContact CG1-CD1 4.36Å; V172-L301 HydrophobicContact CG1-CD2 4.49Å; V172-L301 HydrophobicContact CG2-CD1 4.14Å; W176-L301 HydrophobicContact CB-CD1 4.17Å; P177-L301 PolarHBondContact O-N 2.87Å; L178-L301 HydrophobicContact CD2-CB 3.94Å; L178-L301 HydrophobicContact CD2-CD1 3.63Å; L178-L301 HydrophobicContact CD2-CG 4.04Å; L178-L301 PolarHBondContact O-N 2.76Å; L301-V303 PolarHBondContact O-N 2.73Å; L301-G305 VanDerWaalsContact CD2-O 3.29Å; L301-G305 WeakPolarHBondContact CD2-O 3.35Å; L301-G305 WeakPolarHBondContact O-CA 3.48Å; L301-G305 PolarHBondContact O-N 3.32Å; L301-C306 HydrophobicContact CD2-CB 4.18Å |
| 302 | C | 98.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -19.4 | 178.1 | -77.1 | 0 | 0 | 0 | 0 | 113.8 | C152 T162 F163 L178 I179 Q300 | C152-C302 HydrophobicContact CB-CB 3.64Å; C152-C302 WeakPolarHBondContact CB-SG 3.29Å; C152-C302 WeakPolarHBondContact SG-CA 3.44Å; C152-C302 WeakPolarHBondContact SG-CB 3.39Å; C152-C302 CovalentContact SG-SG 2.04Å; C152-C302 PolarHBondContact SG-SG 3.42Å; T162-C302 CarbonylContact C-O 3.59Å; T162-C302 WeakPolarHBondContact CA-O 3.37Å; T162-C302 WeakPolarHBondContact CB-O 3.23Å; F163-C302 HydrophobicContact CD2-CB 3.83Å; F163-C302 WeakPolarHBondContact CD2-O 3.47Å; F163-C302 HydrophobicContact CE2-CB 3.59Å; F163-C302 HydrophobicContact CZ-CB 4.18Å; F163-C302 PolarHBondContact N-O 3.03Å; L178-C302 VanDerWaalsContact O-CB 3.25Å; L178-C302 WeakPolarHBondContact O-CB 3.4Å; L178-C302 PolarHBondContact O-N 2.81Å; I179-C302 HydrophobicContact CG1-CB 3.91Å; Q300-C302 VanDerWaalsContact C-N 3.32Å; Q300-C302 PolarHBondContact O-N 2.99Å |
| 303 | V | 96.3 | Very high | 89.6 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -98 | -50 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | F163 F293 Q300 L301 | F163-V303 HydrophobicContact CD2-CG2 4.31Å; F293-V303 HydrophobicContact CE1-CG1 3.94Å; F293-V303 HydrophobicContact CE1-CG2 3.94Å; F293-V303 HydrophobicContact CZ-CG1 3.78Å; Q300-V303 HydrophobicContact CB-CB 4.12Å; Q300-V303 HydrophobicContact CB-CG2 4.01Å; Q300-V303 PolarHBondContact O-N 2.84Å; Q300-V303 VanDerWaalsContact O-N 3.1Å; L301-V303 PolarHBondContact O-N 2.73Å |
| 304 | Y | 94.9 | Very high | 88.2 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -108.7 | -7.1 | -169.9 | -58 | -66.2 | 0 | 0 | 0 | 113.9 | F293 Q300 | F293-Y304 VanDerWaalsContact CE2-OH 3.23Å; F293-Y304 WeakPolarHBondContact CE2-OH 3.46Å; Q300-Y304 HydrophobicContact CB-CD2 4.44Å; Q300-Y304 PolarHBondContact O-N 3.47Å |
| 305 | G | 94.5 | Very high | 86.7 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | trans | 69.3 | -165.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q168 L301 | Q168-G305 VanDerWaalsContact OE1-CA 3.29Å; L301-G305 VanDerWaalsContact CD2-O 3.29Å; L301-G305 WeakPolarHBondContact CD2-O 3.35Å; L301-G305 WeakPolarHBondContact O-CA 3.48Å; L301-G305 PolarHBondContact O-N 3.32Å | ||
| 306 | C | 93.5 | Very high | 84.9 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -78.5 | 148.4 | 177.4 | 37.7 | 0 | 0 | 0 | 0 | 112.3 | Q168 C170 V172 L301 Q310 R311 | Q168-C306 PolarHBondContact OE1-SG 3.42Å; C170-C306 HydrophobicContact CB-CB 3.63Å; C170-C306 WeakPolarHBondContact CB-SG 3.42Å; C170-C306 WeakPolarHBondContact SG-CB 3.44Å; C170-C306 CovalentContact SG-SG 2.03Å; C170-C306 PolarHBondContact SG-SG 3.2Å; V172-C306 HydrophobicContact CG1-CB 3.93Å; L301-C306 HydrophobicContact CD2-CB 4.18Å; C306-Q310 HydrophobicContact CB-CB 4.25Å; C306-R311 HydrophobicContact CB-CG 4.49Å; C306-R311 PolarHBondContact O-NE 2.8Å; C306-R311 PolarHBondContact O-NH2 2.82Å; C306-R311 VanDerWaalsContact O-NH2 3.16Å |
| 307 | P | 92.9 | Very high | 82.9 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | trans | -53.8 | 146.3 | 170.9 | -25.1 | 33.7 | 0 | 0 | 0 | 111 | W176 L299 S309 Q310 R311 | W176-P307 HydrophobicContact CH2-CG 4.48Å; W176-P307 HydrophobicContact CZ3-CG 4.05Å; L299-P307 HydrophobicContact CD1-CG 4.06Å; P307-S309 PolarHBondContact O-N 3.19Å; P307-Q310 HydrophobicContact CB-CG 4.41Å; P307-Q310 HydrophobicContact CG-CG 4.48Å; P307-Q310 WeakPolarHBondContact O-CA 3.47Å; P307-Q310 PolarHBondContact O-N 3.24Å; P307-R311 PolarHBondContact O-N 2.93Å | ||
| 308 | P | 90.8 | Very high | 80.9 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 67% | 0.669 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -53.5 | -33.3 | -178.2 | -29 | 35.6 | 0 | 0 | 0 | 114.6 | Q310 R311 | P308-Q310 PolarHBondContact O-N 2.8Å; P308-R311 PolarHBondContact O-N 3.1Å |
| 309 | S | 89.8 | Confident | 78.8 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -69.8 | -13 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | P307 | P307-S309 PolarHBondContact O-N 3.19Š|
| 310 | Q | 91.3 | Very high | 76.3 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -110.4 | -2.6 | -179.9 | -60.8 | -61.5 | -50.4 | 0 | 0 | 112.5 | C170 A171 V172 W176 C306 P307 P308 | C170-Q310 WeakPolarHBondContact CA-O 3.36Å; A171-Q310 PolarHBondContact N-O 2.77Å; V172-Q310 HydrophobicContact CG1-CB 3.81Å; V172-Q310 HydrophobicContact CG1-CG 4.13Å; W176-Q310 HydrophobicContact CH2-CG 4.03Å; W176-Q310 HydrophobicContact CZ2-CG 4.28Å; C306-Q310 HydrophobicContact CB-CB 4.25Å; P307-Q310 HydrophobicContact CB-CG 4.41Å; P307-Q310 HydrophobicContact CG-CG 4.48Å; P307-Q310 WeakPolarHBondContact O-CA 3.47Å; P307-Q310 PolarHBondContact O-N 3.24Å; P308-Q310 PolarHBondContact O-N 2.8Å |
| 311 | R | 90.5 | Very high | 73.8 | Confident | 114 Ų | 114 | 68.3 Ų | 68.3 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130 | 178.7 | -68.4 | 178.2 | -169.3 | -168.2 | -3.4 | 109.6 | C306 P307 P308 | C306-R311 HydrophobicContact CB-CG 4.49Å; C306-R311 PolarHBondContact O-NE 2.8Å; C306-R311 PolarHBondContact O-NH2 2.82Å; C306-R311 VanDerWaalsContact O-NH2 3.16Å; P307-R311 PolarHBondContact O-N 2.93Å; P308-R311 PolarHBondContact O-N 3.1Å |
| 312 | L | 86.6 | Confident | 71 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 18% | 0.178 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.9 | 171.1 | -61.1 | -178.8 | 0 | 0 | 0 | 108.8 | T169 A171 Y198 T314 F356 | T169-L312 HydrophobicContact CG2-CB 4.23Å; T169-L312 HydrophobicContact CG2-CD1 4.23Å; T169-L312 PolarHBondContact O-N 3.23Å; A171-L312 HydrophobicContact CB-CD1 4.21Å; A171-L312 HydrophobicContact CB-CD2 4.04Å; A171-L312 HydrophobicContact CB-CG 4.16Å; Y198-L312 HydrophobicContact CG-CD2 4.26Å; L312-T314 PolarHBondContact O-N 3.32Å; L312-F356 HydrophobicContact CD1-CZ 3.76Å |
| 313 | E | 71.2 | Confident | 68.3 | Low | 185 Ų | 185 | 78 Ų | 78 | 86% | 0.864 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 128.7 | 174.9 | -70.5 | -175.6 | 173.4 | 0 | 0 | 109.3 | L315 | E313-L315 PolarHBondContact O-N 2.88Š|
| 314 | T | 62.3 | Low | 65.4 | Low | 63 Ų | 63 | 86.1 Ų | 86.1 | 39% | 0.387 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 132 | 173.8 | -36.1 | 0 | 0 | 0 | 0 | 108 | L312 | L312-T314 PolarHBondContact O-N 3.32Š|
| 315 | L | 54.3 | Low | 62.5 | Low | 65 Ų | 65 | 86.9 Ų | 86.9 | 34% | 0.34 | 53% | 0.53 | S | S | . | . | trans | -45.6 | 131.3 | 179.4 | -76.9 | 151.9 | 0 | 0 | 0 | 110.4 | E313 S317 F356 L359 | E313-L315 PolarHBondContact O-N 2.88Å; L315-S317 PolarHBondContact O-N 2.03Å; L315-F356 HydrophobicContact CD1-CB 4.08Å; L315-F356 HydrophobicContact CD1-CD2 3.97Å; L315-F356 HydrophobicContact CD1-CG 4.43Å; L315-F356 HydrophobicContact CG-CD2 4.29Å; L315-L359 HydrophobicContact CD1-CD1 3.6Å; L315-L359 HydrophobicContact CD2-CD1 4.14Å | ||
| 316 | P | 43 | Very low | 59.7 | Low | 104 Ų | 104 | 91.9 Ų | 91.9 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | trans | -56.9 | 129.8 | 178.6 | -6.9 | 8.4 | 0 | 0 | 0 | 110.2 | ||||
| 317 | S | 40.7 | Very low | 56.8 | Low | 68 Ų | 68 | 97.1 Ų | 97.1 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | trans | -56.7 | 146.1 | 172 | -149.1 | 0 | 0 | 0 | 0 | 109.8 | L315 S319 S320 | L315-S317 PolarHBondContact O-N 2.03Å; S317-S319 PolarHBondContact O-N 2.86Å; S317-S320 PolarHBondContact O-N 2.77Å; S317-S320 PolarHBondContact O-OG 2.85Å | ||
| 318 | P | 42.8 | Very low | 54.3 | Low | 109 Ų | 109 | 101.6 Ų | 101.6 | 71% | 0.708 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -1.1 | -177.9 | 22.6 | -33.1 | 0 | 0 | 0 | 115.1 | ||
| 319 | S | 39.6 | Very low | 51.9 | Low | 104 Ų | 104 | 100.8 Ų | 100.8 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -9.5 | 175 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | S317 S321 | S317-S319 PolarHBondContact O-N 2.86Å; S319-S321 PolarHBondContact O-N 2.78Å |
| 320 | S | 38.4 | Very low | 49.9 | Very low | 71 Ų | 71 | 100.8 Ų | 100.8 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | trans | -93.2 | 68.7 | 173 | 61.6 | 0 | 0 | 0 | 0 | 111 | S317 S322 | S317-S320 PolarHBondContact O-N 2.77Å; S317-S320 PolarHBondContact O-OG 2.85Å; S320-S322 VanDerWaalsContact C-N 3.3Å; S320-S322 PolarHBondContact O-N 2.83Å | ||
| 321 | S | 41.8 | Very low | 47.9 | Very low | 117 Ų | 117 | 105.4 Ų | 105.4 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -75.1 | 82.7 | 168.1 | 60.5 | 0 | 0 | 0 | 0 | 109.9 | S319 | S319-S321 PolarHBondContact O-N 2.78Š| ||
| 322 | S | 36.8 | Very low | 46.4 | Very low | 95 Ų | 95 | 104.1 Ų | 104.1 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | trans | -134.3 | 91.5 | 164.4 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | S320 | S320-S322 VanDerWaalsContact C-N 3.3Å; S320-S322 PolarHBondContact O-N 2.83Å | ||
| 323 | S | 41.5 | Very low | 45.8 | Very low | 111 Ų | 111 | 105.2 Ų | 105.2 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | 49.4 | 87.9 | 146.3 | 60 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 324 | L | 35.6 | Very low | 46.4 | Very low | 180 Ų | 180 | 98.9 Ų | 98.9 | 94% | 0.942 | 65% | 0.648 | S | S | * | * | trans | -129.4 | 114.6 | 134.5 | -91.8 | 103.3 | 0 | 0 | 0 | 110 | ||||
| 325 | S | 33.9 | Very low | 47.7 | Very low | 108 Ų | 108 | 98.8 Ų | 98.8 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | trans | -68.8 | 145.5 | 175.8 | 41.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 326 | S | 37.6 | Very low | 49.4 | Very low | 108 Ų | 108 | 96 Ų | 96 | 76% | 0.755 | 64% | 0.639 | S | S | * | * | trans | 65.2 | 94 | 152.9 | 61 | 0 | 0 | 0 | 0 | 119 | ||||
| 327 | S | 31.8 | Very low | 51.8 | Low | 111 Ų | 111 | 93.9 Ų | 93.9 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | -173.9 | 151.6 | 118.2 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | S329 | S327-S329 PolarHBondContact O-N 3.38Š| |||
| 328 | S | 39.8 | Very low | 54.3 | Low | 129 Ų | 129 | 95.8 Ų | 95.8 | 90% | 0.902 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -69.5 | 82.1 | -166.9 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 329 | S | 41.4 | Very low | 56.8 | Low | 86 Ų | 86 | 93.2 Ų | 93.2 | 60% | 0.601 | 61% | 0.608 | S | S | * | * | trans | -148.2 | 38.2 | 173.9 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | S327 Q331 P332 | S327-S329 PolarHBondContact O-N 3.38Å; S329-Q331 PolarHBondContact O-N 2.9Å; S329-P332 WeakPolarHBondContact O-CD 3.34Å | ||
| 330 | S | 46.8 | Very low | 59.5 | Low | 101 Ų | 101 | 88.3 Ų | 88.3 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | trans | -75 | 16.8 | -175 | 54.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 331 | Q | 50.6 | Low | 62.3 | Low | 151 Ų | 151 | 86 Ų | 86 | 71% | 0.706 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -108.8 | -38.9 | -172 | -71.6 | -82.5 | -48.6 | 0 | 0 | 115.5 | S329 S333 A335 | S329-Q331 PolarHBondContact O-N 2.9Å; Q331-S333 PolarHBondContact O-N 3.33Å; Q331-A335 PolarHBondContact O-N 3.29Å |
| 332 | P | 57.5 | Low | 64.9 | Low | 86 Ų | 86 | 84.4 Ų | 84.4 | 56% | 0.558 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.5 | -35.2 | -176 | -21.6 | 33.8 | 0 | 0 | 0 | 113.8 | S329 A336 | S329-P332 WeakPolarHBondContact O-CD 3.34Å; P332-A336 PolarHBondContact O-N 2.78Å |
| 333 | S | 75.2 | Confident | 67.8 | Low | 57 Ų | 57 | 83.6 Ų | 83.6 | 40% | 0.399 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73.2 | -41.7 | -178.6 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | Q331 A335 A336 H337 | Q331-S333 PolarHBondContact O-N 3.33Å; S333-A335 PolarHBondContact O-N 2.75Å; S333-A336 PolarHBondContact O-N 2.98Å; S333-H337 PolarHBondContact O-CD2 3.09Å; S333-H337 PolarHBondContact O-N 2.82Å |
| 334 | A | 83.8 | Confident | 70.4 | Confident | 52 Ų | 52 | 78.4 Ų | 78.4 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H337 V338 | A334-H337 PolarHBondContact O-N 3.3Å; A334-V338 WeakPolarHBondContact O-CG2 3.3Å; A334-V338 PolarHBondContact O-N 3.32Å; A334-V338 VanDerWaalsContact O-N 3.09Å |
| 335 | A | 88.1 | Confident | 73.2 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q331 S333 H337 V338 H339 | Q331-A335 PolarHBondContact O-N 3.29Å; S333-A335 PolarHBondContact O-N 2.75Å; A335-H337 PolarHBondContact O-N 3.33Å; A335-V338 PolarHBondContact O-N 3.02Å; A335-H339 WeakPolarHBondContact O-CB 3.39Å; A335-H339 PolarHBondContact O-N 2.89Å |
| 336 | A | 91 | Very high | 76 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 5% | 0.05 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | P332 S333 V338 H339 C340 L355 L358 L359 | P332-A336 PolarHBondContact O-N 2.78Å; S333-A336 PolarHBondContact O-N 2.98Å; A336-V338 PolarHBondContact O-N 3.2Å; A336-H339 PolarHBondContact O-N 2.83Å; A336-C340 WeakPolarHBondContact O-CB 3.35Å; A336-C340 PolarHBondContact O-N 3.41Å; A336-L355 HydrophobicContact CB-CD2 4.1Å; A336-L358 HydrophobicContact CB-CB 4.08Å; A336-L358 HydrophobicContact CB-CD1 4.06Å; A336-L359 HydrophobicContact CB-CD2 4.29Å; A336-L359 HydrophobicContact CB-CG 4.47Å |
| 337 | H | 92.4 | Very high | 78.6 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 28% | 0.278 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 176 | -84.7 | -76.5 | 0 | 0 | 0 | 112.9 | S333 A334 A335 A341 Y351 L355 | S333-H337 PolarHBondContact O-CD2 3.09Å; S333-H337 PolarHBondContact O-N 2.82Å; A334-H337 PolarHBondContact O-N 3.3Å; A335-H337 PolarHBondContact O-N 3.33Å; H337-A341 WeakPolarHBondContact O-CB 3.14Å; H337-A341 PolarHBondContact O-N 3.23Å; H337-Y351 AromaticContact ND1-CZ 3.91Å; H337-Y351 PolarHBondContact ND1-OH 3.39Å; H337-L355 HydrophobicContact CB-CD2 4.38Å; H337-L355 WeakPolarHBondContact CE1-CD1 3.4Å |
| 338 | V | 94.6 | Very high | 81.5 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 66% | 0.655 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.8 | -46.1 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | A334 A335 A336 A341 A342 | A334-V338 WeakPolarHBondContact O-CG2 3.3Å; A334-V338 PolarHBondContact O-N 3.32Å; A334-V338 VanDerWaalsContact O-N 3.09Å; A335-V338 PolarHBondContact O-N 3.02Å; A336-V338 PolarHBondContact O-N 3.2Å; V338-A341 PolarHBondContact O-N 3.27Å; V338-A342 PolarHBondContact O-N 2.81Å; V338-A342 VanDerWaalsContact O-N 3.09Å |
| 339 | H | 95.4 | Very high | 84.1 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -53.3 | -180 | -176.2 | 84.2 | 0 | 0 | 0 | 112.1 | A335 A336 A341 A342 L343 L358 L364 S367 | A335-H339 WeakPolarHBondContact O-CB 3.39Å; A335-H339 PolarHBondContact O-N 2.89Å; A336-H339 PolarHBondContact O-N 2.83Å; H339-A341 VanDerWaalsContact C-N 3.29Å; H339-A341 PolarHBondContact O-N 2.77Å; H339-A342 PolarHBondContact O-N 2.99Å; H339-L343 WeakPolarHBondContact NE2-CD1 3.45Å; H339-L343 PolarHBondContact O-N 2.93Å; H339-L358 HydrophobicContact CB-CD1 4.37Å; H339-L364 HydrophobicContact CB-CD2 4.43Å; H339-S367 PolarHBondContact NE2-OG 2.99Å |
| 340 | C | 96.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.3 | -33.8 | 179 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | A336 A342 L343 L344 Y351 C354 L355 L358 | A336-C340 WeakPolarHBondContact O-CB 3.35Å; A336-C340 PolarHBondContact O-N 3.41Å; C340-A342 VanDerWaalsContact C-N 3.33Å; C340-A342 PolarHBondContact O-N 3.4Å; C340-L343 PolarHBondContact O-N 3.38Å; C340-L344 WeakPolarHBondContact O-CA 3.39Å; C340-L344 WeakPolarHBondContact O-CB 3.43Å; C340-L344 PolarHBondContact O-N 3.48Å; C340-Y351 HydrophobicContact CB-CD2 3.7Å; C340-Y351 HydrophobicContact CB-CE2 3.62Å; C340-C354 VanDerWaalsContact CA-SG 3.57Å; C340-C354 HydrophobicContact CB-CB 3.84Å; C340-C354 WeakPolarHBondContact CB-SG 3.4Å; C340-C354 WeakPolarHBondContact SG-CB 3.39Å; C340-C354 CovalentContact SG-SG 2.04Å; C340-C354 PolarHBondContact SG-SG 3.46Å; C340-L355 HydrophobicContact CB-CD2 4.16Å; C340-L355 HydrophobicContact CB-CG 4.28Å; C340-L355 PolarHBondContact SG-N 2.88Å; C340-L355 VanDerWaalsContact SG-N 3.44Å; C340-L358 VanDerWaalsContact SG-CD1 3.57Å |
| 341 | A | 96 | Very high | 89.1 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.6 | -29.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H337 V338 H339 Y351 | H337-A341 WeakPolarHBondContact O-CB 3.14Å; H337-A341 PolarHBondContact O-N 3.23Å; V338-A341 PolarHBondContact O-N 3.27Å; H339-A341 VanDerWaalsContact C-N 3.29Å; H339-A341 PolarHBondContact O-N 2.77Å; A341-Y351 HydrophobicContact CB-CE2 3.89Å |
| 342 | A | 96.7 | Very high | 91.1 | Very high | 84 Ų | 84 | 49.3 Ų | 49.3 | 69% | 0.694 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.9 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V338 H339 C340 | V338-A342 PolarHBondContact O-N 2.81Å; V338-A342 VanDerWaalsContact O-N 3.09Å; H339-A342 PolarHBondContact O-N 2.99Å; C340-A342 VanDerWaalsContact C-N 3.33Å; C340-A342 PolarHBondContact O-N 3.4Å |
| 343 | L | 97.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 41% | 0.408 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -80.2 | -37.2 | 179.5 | -63.9 | 176.3 | 0 | 0 | 0 | 113.1 | H339 C340 P345 V371 | H339-L343 WeakPolarHBondContact NE2-CD1 3.45Å; H339-L343 PolarHBondContact O-N 2.93Å; C340-L343 PolarHBondContact O-N 3.38Å; L343-P345 WeakPolarHBondContact O-CD 3.48Å; L343-V371 HydrophobicContact CB-CG2 4.11Å; L343-V371 HydrophobicContact CD1-CG2 4.24Å |
| 344 | L | 96.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | -127.6 | 74.3 | -169 | -61 | 165.5 | 0 | 0 | 0 | 109.9 | C340 A346 R347 Y350 Y351 C354 A370 V371 L374 | C340-L344 WeakPolarHBondContact O-CA 3.39Å; C340-L344 WeakPolarHBondContact O-CB 3.43Å; C340-L344 PolarHBondContact O-N 3.48Å; L344-A346 PolarHBondContact O-N 3Å; L344-R347 PolarHBondContact O-N 2.85Å; L344-Y350 WeakPolarHBondContact CD1-O 3.49Å; L344-Y351 HydrophobicContact CB-CD2 4.45Å; L344-C354 HydrophobicContact CD1-CB 3.66Å; L344-A370 HydrophobicContact CD1-CB 3.95Å; L344-V371 HydrophobicContact CD2-CG2 4.23Å; L344-V371 HydrophobicContact CG-CG2 4.37Å; L344-L374 HydrophobicContact CD2-CB 4.47Å; L344-L374 HydrophobicContact CD2-CD2 3.52Å | ||
| 345 | P | 93.7 | Very high | 94.3 | Very high | 99 Ų | 99 | 40.1 Ų | 40.1 | 64% | 0.643 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.9 | -170.8 | 26.9 | -35.8 | 0 | 0 | 0 | 113.9 | L343 R347 | L343-P345 WeakPolarHBondContact O-CD 3.48Å; P345-R347 PolarHBondContact O-N 3Å |
| 346 | A | 92.6 | Very high | 94.4 | Very high | 41 Ų | 41 | 38.6 Ų | 38.6 | 34% | 0.339 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L344 D348 H388 | L344-A346 PolarHBondContact O-N 3Å; A346-D348 HydrophobicContact CB-CB 4.44Å; A346-D348 PolarHBondContact O-N 2.87Å; A346-H388 WeakPolarHBondContact CB-ND1 3.5Å |
| 347 | R | 92.2 | Very high | 94.4 | Very high | 166 Ų | 166 | 38.5 Ų | 38.5 | 63% | 0.626 | 22% | 0.215 | S | C | * | . | trans | 52.6 | 36.4 | 179 | -62.5 | -177.3 | 176.2 | -168.7 | -1.5 | 114 | L344 P345 Y351 | L344-R347 PolarHBondContact O-N 2.85Å; P345-R347 PolarHBondContact O-N 3Å; R347-Y351 HydrophobicContact CB-CD1 4.18Å; R347-Y351 HydrophobicContact CB-CG 4.35Å; R347-Y351 HydrophobicContact CG-CD1 4.45Å; R347-Y351 HydrophobicContact CG-CG 4.42Å | ||
| 348 | D | 93.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -98.8 | -158.1 | -177.4 | 69.8 | -16.6 | 0 | 0 | 0 | 111.5 | A346 Y350 Y351 Q352 H388 L389 L390 | A346-D348 HydrophobicContact CB-CB 4.44Å; A346-D348 PolarHBondContact O-N 2.87Å; D348-Y350 VanDerWaalsContact C-N 3.26Å; D348-Y350 PolarHBondContact O-N 2.91Å; D348-Y350 PolarHBondContact OD1-N 2.91Å; D348-Y350 WeakPolarHBondContact OD2-CD2 3.42Å; D348-Y351 WeakPolarHBondContact O-CB 3.21Å; D348-Y351 PolarHBondContact O-N 2.87Å; D348-Y351 VanDerWaalsContact O-N 3.14Å; D348-Q352 PolarHBondContact O-N 3.02Å; D348-Q352 VanDerWaalsContact O-N 3.07Å; D348-H388 HydrophobicContact CB-CB 4.41Å; D348-H388 VanDerWaalsContact OD2-CA 3.29Å; D348-H388 WeakPolarHBondContact OD2-CA 3.42Å; D348-H388 WeakPolarHBondContact OD2-CB 3.46Å; D348-H388 IonicContact OD2-CE1 2.7Å; D348-H388 IonicContact OD2-CG 2.81Å; D348-H388 IonicContact OD2-ND1 3.41Å; D348-H388 PolarHBondContact OD2-ND1 3.43Å; D348-L389 WeakPolarHBondContact CB-O 3.43Å; D348-L390 HydrophobicContact CB-CD2 4.43Å |
| 349 | I | 94.3 | Very high | 94 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55 | -35.3 | 178.4 | 56.7 | 156.5 | 0 | 0 | 0 | 114.3 | F167 Q352 A353 L389 L391 | F167-I349 HydrophobicContact CB-CB 4.17Å; F167-I349 HydrophobicContact CB-CD1 4.31Å; F167-I349 HydrophobicContact CB-CG2 3.48Å; F167-I349 VanDerWaalsContact CB-CG2 3.48Å; F167-I349 HydrophobicContact CD1-CB 3.96Å; F167-I349 HydrophobicContact CD1-CG2 3.69Å; F167-I349 HydrophobicContact CD2-CB 3.67Å; F167-I349 HydrophobicContact CD2-CD1 3.61Å; F167-I349 HydrophobicContact CD2-CG1 4.23Å; F167-I349 HydrophobicContact CD2-CG2 3.97Å; F167-I349 HydrophobicContact CE1-CB 4.25Å; F167-I349 HydrophobicContact CE1-CG2 4.41Å; F167-I349 HydrophobicContact CE2-CB 3.95Å; F167-I349 HydrophobicContact CE2-CD1 4.21Å; F167-I349 HydrophobicContact CG-CB 3.65Å; F167-I349 HydrophobicContact CG-CD1 4.16Å; F167-I349 HydrophobicContact CG-CG2 3.42Å; F167-I349 VanDerWaalsContact CG-CG2 3.42Å; F167-I349 HydrophobicContact CZ-CB 4.24Å; I349-Q352 PolarHBondContact O-N 3.38Å; I349-A353 WeakPolarHBondContact O-CB 3.49Å; I349-A353 PolarHBondContact O-N 3.36Å; I349-L389 HydrophobicContact CD1-CB 4.16Å; I349-L389 HydrophobicContact CD1-CD1 3.85Å; I349-L389 HydrophobicContact CD1-CG 4.24Å; I349-L389 HydrophobicContact CG1-CB 4.01Å; I349-L389 HydrophobicContact CG2-CB 3.9Å; I349-L389 WeakPolarHBondContact CG2-O 3.49Å; I349-L389 PolarHBondContact N-O 2.85Å; I349-L391 HydrophobicContact CG2-CD1 4.36Å; I349-L391 HydrophobicContact CG2-CG 4.18Å |
| 350 | Y | 96.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.8 | -38.6 | -179.7 | -58.8 | -77.8 | 0 | 0 | 0 | 110.2 | F155 R161 L344 D348 Q352 A353 C354 A370 A373 L374 A377 V387 | F155-Y350 HydrophobicContact CE1-CD1 4.47Å; F155-Y350 HydrophobicContact CE1-CE1 4.23Å; F155-Y350 HydrophobicContact CE2-CD1 4.35Å; F155-Y350 AromaticContact CZ-CD1 3.8Å; F155-Y350 HydrophobicContact CZ-CD1 3.8Å; F155-Y350 AromaticContact CZ-CE1 4Å; F155-Y350 HydrophobicContact CZ-CE1 4Å; R161-Y350 PolarHBondContact NH1-OH 3.32Å; R161-Y350 VanDerWaalsContact NH1-OH 3.16Å; L344-Y350 WeakPolarHBondContact CD1-O 3.49Å; D348-Y350 VanDerWaalsContact C-N 3.26Å; D348-Y350 PolarHBondContact O-N 2.91Å; D348-Y350 PolarHBondContact OD1-N 2.91Å; D348-Y350 WeakPolarHBondContact OD2-CD2 3.42Å; Y350-Q352 VanDerWaalsContact C-N 3.32Å; Y350-Q352 PolarHBondContact O-N 2.92Å; Y350-A353 WeakPolarHBondContact O-CB 3.36Å; Y350-A353 PolarHBondContact O-N 3.48Å; Y350-C354 WeakPolarHBondContact O-CB 3.22Å; Y350-C354 PolarHBondContact O-N 2.82Å; Y350-A370 WeakPolarHBondContact O-CB 3.46Å; Y350-A373 HydrophobicContact CD1-CB 4.15Å; Y350-A373 HydrophobicContact CE1-CB 3.96Å; Y350-L374 HydrophobicContact CD1-CB 3.95Å; Y350-L374 HydrophobicContact CD2-CB 4.08Å; Y350-L374 HydrophobicContact CD2-CD1 3.72Å; Y350-L374 HydrophobicContact CD2-CG 4.35Å; Y350-L374 HydrophobicContact CE1-CB 4.24Å; Y350-L374 HydrophobicContact CE2-CB 4.37Å; Y350-L374 HydrophobicContact CE2-CD1 3.68Å; Y350-L374 HydrophobicContact CG-CB 3.88Å; Y350-L374 HydrophobicContact CG-CD1 4.4Å; Y350-A377 WeakPolarHBondContact OH-CB 3.45Å; Y350-V387 WeakPolarHBondContact CE2-O 3.24Å |
| 351 | Y | 95.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 173 | 170.1 | -99.6 | 0 | 0 | 0 | 111.8 | H337 C340 A341 L344 R347 D348 C354 L355 | H337-Y351 AromaticContact ND1-CZ 3.91Å; H337-Y351 PolarHBondContact ND1-OH 3.39Å; C340-Y351 HydrophobicContact CB-CD2 3.7Å; C340-Y351 HydrophobicContact CB-CE2 3.62Å; A341-Y351 HydrophobicContact CB-CE2 3.89Å; L344-Y351 HydrophobicContact CB-CD2 4.45Å; R347-Y351 HydrophobicContact CB-CD1 4.18Å; R347-Y351 HydrophobicContact CB-CG 4.35Å; R347-Y351 HydrophobicContact CG-CD1 4.45Å; R347-Y351 HydrophobicContact CG-CG 4.42Å; D348-Y351 WeakPolarHBondContact O-CB 3.21Å; D348-Y351 PolarHBondContact O-N 2.87Å; D348-Y351 VanDerWaalsContact O-N 3.14Å; Y351-C354 WeakPolarHBondContact O-CB 3.39Å; Y351-C354 PolarHBondContact O-N 3.13Å; Y351-L355 HydrophobicContact CD1-CD1 4.04Å; Y351-L355 HydrophobicContact CE1-CD1 3.36Å; Y351-L355 HydrophobicContact CE1-CG 4.15Å; Y351-L355 HydrophobicContact CE2-CD1 4.33Å; Y351-L355 HydrophobicContact CE2-CG 4.33Å; Y351-L355 PolarHBondContact O-N 3.18Å |
| 352 | Q | 93.4 | Very high | 92.4 | Very high | 36 Ų | 36 | 37 Ų | 37 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.9 | -39.3 | 177 | -65.7 | -60.4 | -32.1 | 0 | 0 | 112.6 | D348 I349 Y350 L355 F356 L391 | D348-Q352 PolarHBondContact O-N 3.02Å; D348-Q352 VanDerWaalsContact O-N 3.07Å; I349-Q352 PolarHBondContact O-N 3.38Å; Y350-Q352 VanDerWaalsContact C-N 3.32Å; Y350-Q352 PolarHBondContact O-N 2.92Å; Q352-L355 PolarHBondContact O-N 2.92Å; Q352-F356 WeakPolarHBondContact O-CB 3.37Å; Q352-F356 PolarHBondContact O-N 3.49Å; Q352-L391 HydrophobicContact CB-CD1 4.15Å; Q352-L391 HydrophobicContact CG-CD1 3.46Å; Q352-L391 VanDerWaalsContact CG-CD1 3.46Å |
| 353 | A | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F155 H159 F167 I349 Y350 L355 F356 D357 A370 | F155-A353 HydrophobicContact CE2-CB 3.6Å; F155-A353 HydrophobicContact CZ-CB 4.19Å; H159-A353 HydrophobicContact CB-CB 4.37Å; H159-A353 WeakPolarHBondContact CD2-CB 3.33Å; H159-A353 WeakPolarHBondContact NE2-CA 3.46Å; H159-A353 PolarHBondContact NE2-O 2.78Å; F167-A353 HydrophobicContact CZ-CB 4.07Å; I349-A353 WeakPolarHBondContact O-CB 3.49Å; I349-A353 PolarHBondContact O-N 3.36Å; Y350-A353 WeakPolarHBondContact O-CB 3.36Å; Y350-A353 PolarHBondContact O-N 3.48Å; A353-L355 VanDerWaalsContact C-N 3.32Å; A353-L355 PolarHBondContact O-N 3.07Å; A353-F356 WeakPolarHBondContact O-CB 3.29Å; A353-F356 PolarHBondContact O-N 2.94Å; A353-F356 VanDerWaalsContact O-N 3.13Å; A353-D357 WeakPolarHBondContact O-CB 3.32Å; A353-D357 PolarHBondContact O-N 2.81Å; A353-A370 HydrophobicContact CB-CB 4.19Å |
| 354 | C | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54 | -48.4 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | C340 L344 Y350 Y351 F356 D357 L358 S367 A370 | C340-C354 VanDerWaalsContact CA-SG 3.57Å; C340-C354 HydrophobicContact CB-CB 3.84Å; C340-C354 WeakPolarHBondContact CB-SG 3.4Å; C340-C354 WeakPolarHBondContact SG-CB 3.39Å; C340-C354 CovalentContact SG-SG 2.04Å; C340-C354 PolarHBondContact SG-SG 3.46Å; L344-C354 HydrophobicContact CD1-CB 3.66Å; Y350-C354 WeakPolarHBondContact O-CB 3.22Å; Y350-C354 PolarHBondContact O-N 2.82Å; Y351-C354 WeakPolarHBondContact O-CB 3.39Å; Y351-C354 PolarHBondContact O-N 3.13Å; C354-F356 PolarHBondContact O-N 2.63Å; C354-D357 PolarHBondContact O-N 3.28Å; C354-L358 WeakPolarHBondContact O-CB 3.02Å; C354-L358 VanDerWaalsContact O-CG 3.25Å; C354-L358 WeakPolarHBondContact O-CG 3.09Å; C354-L358 PolarHBondContact O-N 3.4Å; C354-S367 WeakPolarHBondContact SG-CB 3.35Å; C354-A370 HydrophobicContact CB-CB 3.91Å |
| 355 | L | 93.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 178.1 | -80 | -179.8 | 0 | 0 | 0 | 112.5 | A336 H337 C340 Y351 Q352 A353 L358 L359 | A336-L355 HydrophobicContact CB-CD2 4.1Å; H337-L355 HydrophobicContact CB-CD2 4.38Å; H337-L355 WeakPolarHBondContact CE1-CD1 3.4Å; C340-L355 HydrophobicContact CB-CD2 4.16Å; C340-L355 HydrophobicContact CB-CG 4.28Å; C340-L355 PolarHBondContact SG-N 2.88Å; C340-L355 VanDerWaalsContact SG-N 3.44Å; Y351-L355 HydrophobicContact CD1-CD1 4.04Å; Y351-L355 HydrophobicContact CE1-CD1 3.36Å; Y351-L355 HydrophobicContact CE1-CG 4.15Å; Y351-L355 HydrophobicContact CE2-CD1 4.33Å; Y351-L355 HydrophobicContact CE2-CG 4.33Å; Y351-L355 PolarHBondContact O-N 3.18Å; Q352-L355 PolarHBondContact O-N 2.92Å; A353-L355 VanDerWaalsContact C-N 3.32Å; A353-L355 PolarHBondContact O-N 3.07Å; L355-L358 PolarHBondContact O-N 3.06Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.3Å; L355-L359 WeakPolarHBondContact O-CD1 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.29Å; L355-L359 PolarHBondContact O-N 2.84Å |
| 356 | F | 91.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 38 Ų | 38 | 13% | 0.127 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -54 | 179.3 | -175 | -82.7 | 0 | 0 | 0 | 110.7 | D157 H159 T169 L312 L315 Q352 A353 C354 L358 L359 A360 | D157-F356 HydrophobicContact CB-CD1 4.03Å; D157-F356 HydrophobicContact CB-CE1 3.75Å; H159-F356 AromaticContact CE1-CD1 3.6Å; H159-F356 AromaticContact CE1-CG 3.79Å; T169-F356 HydrophobicContact CG2-CD1 4Å; T169-F356 HydrophobicContact CG2-CD2 4.2Å; T169-F356 HydrophobicContact CG2-CE1 3.75Å; T169-F356 HydrophobicContact CG2-CE2 3.94Å; T169-F356 HydrophobicContact CG2-CG 4.23Å; T169-F356 HydrophobicContact CG2-CZ 3.72Å; L312-F356 HydrophobicContact CD1-CZ 3.76Å; L315-F356 HydrophobicContact CD1-CB 4.08Å; L315-F356 HydrophobicContact CD1-CD2 3.97Å; L315-F356 HydrophobicContact CD1-CG 4.43Å; L315-F356 HydrophobicContact CG-CD2 4.29Å; Q352-F356 WeakPolarHBondContact O-CB 3.37Å; Q352-F356 PolarHBondContact O-N 3.49Å; A353-F356 WeakPolarHBondContact O-CB 3.29Å; A353-F356 PolarHBondContact O-N 2.94Å; A353-F356 VanDerWaalsContact O-N 3.13Å; C354-F356 PolarHBondContact O-N 2.63Å; F356-L358 PolarHBondContact O-N 2.79Å; F356-L359 PolarHBondContact O-N 2.9Å; F356-A360 HydrophobicContact CD1-CB 4.49Å; F356-A360 HydrophobicContact CE1-CB 4.28Å; F356-A360 VanDerWaalsContact O-CB 3.24Å; F356-A360 WeakPolarHBondContact O-CB 3.28Å; F356-A360 PolarHBondContact O-N 2.82Å |
| 357 | D | 90.6 | Very high | 91 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.8 | -48 | 179.5 | -77.3 | -18.4 | 0 | 0 | 0 | 111.4 | G156 D157 H159 A353 C354 L359 A360 T361 | G156-D357 WeakPolarHBondContact CA-OD2 3.44Å; D157-D357 WeakPolarHBondContact CB-OD1 3.47Å; D157-D357 PolarHBondContact N-OD1 3.13Å; H159-D357 IonicContact CD2-OD1 3.06Å; H159-D357 IonicContact CD2-OD2 3.95Å; H159-D357 IonicContact NE2-OD1 3.72Å; H159-D357 PolarHBondContact NE2-OD1 3.25Å; H159-D357 IonicContact NE2-OD2 2.72Å; A353-D357 WeakPolarHBondContact O-CB 3.32Å; A353-D357 PolarHBondContact O-N 2.81Å; C354-D357 PolarHBondContact O-N 3.28Å; D357-L359 PolarHBondContact O-N 2.78Å; D357-A360 PolarHBondContact O-N 2.91Å; D357-T361 WeakPolarHBondContact O-CB 3.46Å; D357-T361 WeakPolarHBondContact O-CG2 3.11Å; D357-T361 PolarHBondContact O-N 2.52Å; D357-T361 PolarHBondContact O-OG1 3.18Å |
| 358 | L | 90.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 179.9 | -70.1 | -160.2 | 0 | 0 | 0 | 113.1 | A336 H339 C340 C354 L355 F356 G362 D363 L364 | A336-L358 HydrophobicContact CB-CB 4.08Å; A336-L358 HydrophobicContact CB-CD1 4.06Å; H339-L358 HydrophobicContact CB-CD1 4.37Å; C340-L358 VanDerWaalsContact SG-CD1 3.57Å; C354-L358 WeakPolarHBondContact O-CB 3.02Å; C354-L358 VanDerWaalsContact O-CG 3.25Å; C354-L358 WeakPolarHBondContact O-CG 3.09Å; C354-L358 PolarHBondContact O-N 3.4Å; L355-L358 PolarHBondContact O-N 3.06Å; F356-L358 PolarHBondContact O-N 2.79Å; L358-G362 VanDerWaalsContact O-CA 3.25Å; L358-G362 WeakPolarHBondContact O-CA 3.34Å; L358-G362 PolarHBondContact O-N 3.39Å; L358-D363 WeakPolarHBondContact CD2-O 3.45Å; L358-L364 HydrophobicContact CD1-CD2 3.87Å; L358-L364 HydrophobicContact CD2-CD2 4.42Å |
| 359 | L | 88 | Confident | 91.3 | Very high | 69 Ų | 69 | 31.4 Ų | 31.4 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74.2 | -32.2 | 179.7 | -70.9 | 171 | 0 | 0 | 0 | 111.9 | L315 A336 L355 F356 D357 | L315-L359 HydrophobicContact CD1-CD1 3.6Å; L315-L359 HydrophobicContact CD2-CD1 4.14Å; A336-L359 HydrophobicContact CB-CD2 4.29Å; A336-L359 HydrophobicContact CB-CG 4.47Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.3Å; L355-L359 WeakPolarHBondContact O-CD1 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.29Å; L355-L359 PolarHBondContact O-N 2.84Å; F356-L359 PolarHBondContact O-N 2.9Å; D357-L359 PolarHBondContact O-N 2.78Å |
| 360 | A | 85 | Confident | 91.4 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 22% | 0.223 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -76.4 | -40.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A199 F356 D357 | A199-A360 HydrophobicContact CB-CB 4.23Å; F356-A360 HydrophobicContact CD1-CB 4.49Å; F356-A360 HydrophobicContact CE1-CB 4.28Å; F356-A360 VanDerWaalsContact O-CB 3.24Å; F356-A360 WeakPolarHBondContact O-CB 3.28Å; F356-A360 PolarHBondContact O-N 2.82Å; D357-A360 PolarHBondContact O-N 2.91Å |
| 361 | T | 84.2 | Confident | 91.5 | Very high | 38 Ų | 38 | 33 Ų | 33 | 23% | 0.233 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -97.6 | -29 | -175.2 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | D357 D363 S366 | D357-T361 WeakPolarHBondContact O-CB 3.46Å; D357-T361 WeakPolarHBondContact O-CG2 3.11Å; D357-T361 PolarHBondContact O-N 2.52Å; D357-T361 PolarHBondContact O-OG1 3.18Å; T361-D363 PolarHBondContact O-N 3.09Å; T361-D363 PolarHBondContact OG1-N 2.84Å; T361-S366 PolarHBondContact OG1-OG 2.83Å |
| 362 | G | 84.8 | Confident | 91.5 | Very high | 70 Ų | 70 | 32.9 Ų | 32.9 | 72% | 0.722 | 20% | 0.203 | S | C | * | . | trans | 70.9 | 8.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L358 | L358-G362 VanDerWaalsContact O-CA 3.25Å; L358-G362 WeakPolarHBondContact O-CA 3.34Å; L358-G362 PolarHBondContact O-N 3.39Å | ||
| 363 | D | 85.1 | Confident | 91.7 | Very high | 67 Ų | 67 | 31.4 Ų | 31.4 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | trans | -107.3 | 116.7 | -179 | -178.1 | 5 | 0 | 0 | 0 | 111.2 | L358 T361 N365 S366 | L358-D363 WeakPolarHBondContact CD2-O 3.45Å; T361-D363 PolarHBondContact O-N 3.09Å; T361-D363 PolarHBondContact OG1-N 2.84Å; D363-N365 PolarHBondContact O-N 3.26Å; D363-N365 VanDerWaalsContact O-N 3.12Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 3.09Å; D363-N365 PolarHBondContact OD1-ND2 3.46Å; D363-S366 WeakPolarHBondContact O-CB 3.06Å; D363-S366 PolarHBondContact O-N 3.49Å; D363-S366 PolarHBondContact O-OG 3.39Å | ||
| 364 | L | 88.8 | Confident | 91.9 | Very high | 94 Ų | 94 | 31.8 Ų | 31.8 | 49% | 0.492 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -57.9 | -26.2 | 177.3 | -65.8 | -178.3 | 0 | 0 | 0 | 113 | H339 L358 S366 S367 | H339-L364 HydrophobicContact CB-CD2 4.43Å; L358-L364 HydrophobicContact CD1-CD2 3.87Å; L358-L364 HydrophobicContact CD2-CD2 4.42Å; L364-S366 PolarHBondContact O-N 3.37Å; L364-S367 WeakPolarHBondContact O-CB 3.34Å; L364-S367 PolarHBondContact O-N 3.3Å; L364-S367 PolarHBondContact O-OG 3.47Å |
| 365 | N | 89.7 | Confident | 92 | Very high | 101 Ų | 101 | 36.6 Ų | 36.6 | 54% | 0.54 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -68.1 | -21 | 177.8 | -60.6 | -50.6 | 0 | 0 | 0 | 112.6 | D363 S367 T368 | D363-N365 PolarHBondContact O-N 3.26Å; D363-N365 VanDerWaalsContact O-N 3.12Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 3.09Å; D363-N365 PolarHBondContact OD1-ND2 3.46Å; N365-S367 PolarHBondContact O-N 3.4Å; N365-T368 WeakPolarHBondContact O-CB 3.22Å; N365-T368 WeakPolarHBondContact O-CG2 3.09Å; N365-T368 PolarHBondContact O-N 3.35Å; N365-T368 VanDerWaalsContact O-N 3.08Å; N365-T368 PolarHBondContact O-OG1 3.31Å |
| 366 | S | 90.2 | Very high | 92.2 | Very high | 24 Ų | 24 | 37 Ų | 37 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -62.8 | -23.4 | 176.2 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | T361 D363 L364 T368 A369 | T361-S366 PolarHBondContact OG1-OG 2.83Å; D363-S366 WeakPolarHBondContact O-CB 3.06Å; D363-S366 PolarHBondContact O-N 3.49Å; D363-S366 PolarHBondContact O-OG 3.39Å; L364-S366 PolarHBondContact O-N 3.37Å; S366-T368 PolarHBondContact O-N 3.01Å; S366-T368 VanDerWaalsContact O-N 3.11Å; S366-A369 PolarHBondContact O-N 3.36Å |
| 367 | S | 94.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -23.6 | 173.3 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | H339 C354 L364 N365 A369 A370 V371 | H339-S367 PolarHBondContact NE2-OG 2.99Å; C354-S367 WeakPolarHBondContact SG-CB 3.35Å; L364-S367 WeakPolarHBondContact O-CB 3.34Å; L364-S367 PolarHBondContact O-N 3.3Å; L364-S367 PolarHBondContact O-OG 3.47Å; N365-S367 PolarHBondContact O-N 3.4Å; S367-A369 VanDerWaalsContact C-N 3.27Å; S367-A369 PolarHBondContact O-N 3.5Å; S367-A370 PolarHBondContact O-N 3.49Å; S367-V371 PolarHBondContact O-N 2.57Å |
| 368 | T | 95.4 | Very high | 92.8 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 34% | 0.344 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.9 | -31.6 | -179.1 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | N365 S366 A370 V371 A372 | N365-T368 WeakPolarHBondContact O-CB 3.22Å; N365-T368 WeakPolarHBondContact O-CG2 3.09Å; N365-T368 PolarHBondContact O-N 3.35Å; N365-T368 VanDerWaalsContact O-N 3.08Å; N365-T368 PolarHBondContact O-OG1 3.31Å; S366-T368 PolarHBondContact O-N 3.01Å; S366-T368 VanDerWaalsContact O-N 3.11Å; T368-A370 PolarHBondContact O-N 2.92Å; T368-V371 PolarHBondContact O-N 3.13Å; T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.44Å |
| 369 | A | 95.9 | Very high | 93 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S366 S367 A373 | S366-A369 PolarHBondContact O-N 3.36Å; S367-A369 VanDerWaalsContact C-N 3.27Å; S367-A369 PolarHBondContact O-N 3.5Å; A369-A373 WeakPolarHBondContact O-CB 3.4Å; A369-A373 PolarHBondContact O-N 3.32Å |
| 370 | A | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F155 L344 Y350 A353 C354 S367 T368 L374 | F155-A370 HydrophobicContact CE2-CB 4.3Å; L344-A370 HydrophobicContact CD1-CB 3.95Å; Y350-A370 WeakPolarHBondContact O-CB 3.46Å; A353-A370 HydrophobicContact CB-CB 4.19Å; C354-A370 HydrophobicContact CB-CB 3.91Å; S367-A370 PolarHBondContact O-N 3.49Å; T368-A370 PolarHBondContact O-N 2.92Å; A370-L374 PolarHBondContact O-N 3.2Å; A370-L374 VanDerWaalsContact O-N 3.09Å |
| 371 | V | 97.4 | Very high | 94 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 175.9 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | L343 L344 S367 T368 A373 L374 E375 | L343-V371 HydrophobicContact CB-CG2 4.11Å; L343-V371 HydrophobicContact CD1-CG2 4.24Å; L344-V371 HydrophobicContact CD2-CG2 4.23Å; L344-V371 HydrophobicContact CG-CG2 4.37Å; S367-V371 PolarHBondContact O-N 2.57Å; T368-V371 PolarHBondContact O-N 3.13Å; V371-A373 VanDerWaalsContact C-N 3.32Å; V371-A373 PolarHBondContact O-N 3.32Å; V371-L374 PolarHBondContact O-N 3.31Å; V371-E375 WeakPolarHBondContact O-CG 3.25Å; V371-E375 PolarHBondContact O-N 2.97Å |
| 372 | A | 96.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 45 Ų | 45 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R273 T368 E375 D376 | R273-A372 PolarHBondContact NH1-O 2.04Å; T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.44Å; A372-E375 PolarHBondContact O-N 3.48Å; A372-D376 PolarHBondContact O-N 3.47Å |
| 373 | A | 97.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F155 Y350 A369 V371 A377 | F155-A373 HydrophobicContact CB-CB 4.06Å; F155-A373 HydrophobicContact CD1-CB 3.39Å; F155-A373 HydrophobicContact CD2-CB 3.68Å; F155-A373 HydrophobicContact CE1-CB 3.63Å; F155-A373 HydrophobicContact CE2-CB 3.88Å; F155-A373 HydrophobicContact CG-CB 3.42Å; F155-A373 VanDerWaalsContact CG-CB 3.42Å; F155-A373 HydrophobicContact CZ-CB 3.86Å; Y350-A373 HydrophobicContact CD1-CB 4.15Å; Y350-A373 HydrophobicContact CE1-CB 3.96Å; A369-A373 WeakPolarHBondContact O-CB 3.4Å; A369-A373 PolarHBondContact O-N 3.32Å; V371-A373 VanDerWaalsContact C-N 3.32Å; V371-A373 PolarHBondContact O-N 3.32Å; A373-A377 VanDerWaalsContact O-CB 3.3Å; A373-A377 WeakPolarHBondContact O-CB 3.34Å; A373-A377 PolarHBondContact O-N 3.11Å |
| 374 | L | 98.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 173.5 | 173.4 | 60.4 | 0 | 0 | 0 | 111.6 | L344 Y350 A370 V371 A377 R378 V387 | L344-L374 HydrophobicContact CD2-CB 4.47Å; L344-L374 HydrophobicContact CD2-CD2 3.52Å; Y350-L374 HydrophobicContact CD1-CB 3.95Å; Y350-L374 HydrophobicContact CD2-CB 4.08Å; Y350-L374 HydrophobicContact CD2-CD1 3.72Å; Y350-L374 HydrophobicContact CD2-CG 4.35Å; Y350-L374 HydrophobicContact CE1-CB 4.24Å; Y350-L374 HydrophobicContact CE2-CB 4.37Å; Y350-L374 HydrophobicContact CE2-CD1 3.68Å; Y350-L374 HydrophobicContact CG-CB 3.88Å; Y350-L374 HydrophobicContact CG-CD1 4.4Å; A370-L374 PolarHBondContact O-N 3.2Å; A370-L374 VanDerWaalsContact O-N 3.09Å; V371-L374 PolarHBondContact O-N 3.31Å; L374-A377 PolarHBondContact O-N 3.08Å; L374-R378 HydrophobicContact CD1-CG 4.31Å; L374-R378 VanDerWaalsContact O-CG 3.31Å; L374-R378 WeakPolarHBondContact O-CG 3.39Å; L374-R378 PolarHBondContact O-N 2.88Å; L374-V387 HydrophobicContact CD1-CG1 3.63Å |
| 375 | E | 96.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 47.6 Ų | 47.6 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.7 | -71.7 | 175.8 | 175.8 | 0 | 0 | 111.9 | R273 V371 A372 R378 G379 | R273-E375 IonicContact NH1-OE2 4Å; V371-E375 WeakPolarHBondContact O-CG 3.25Å; V371-E375 PolarHBondContact O-N 2.97Å; A372-E375 PolarHBondContact O-N 3.48Å; E375-R378 PolarHBondContact O-N 3.43Å; E375-G379 PolarHBondContact O-N 3Å; E375-G379 VanDerWaalsContact O-N 3.17Å |
| 376 | D | 97.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.064 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.6 | -71.3 | -19.2 | 0 | 0 | 0 | 111.3 | R273 S282 A372 R378 G379 M380 | R273-D376 IonicContact CZ-OD1 3.18Å; R273-D376 IonicContact NE-OD1 3.91Å; R273-D376 PolarHBondContact NE-OD1 3.34Å; R273-D376 IonicContact NE-OD2 3.38Å; R273-D376 IonicContact NH1-OD1 3.94Å; R273-D376 PolarHBondContact NH1-OD1 3.33Å; R273-D376 IonicContact NH2-OD1 3.71Å; R273-D376 PolarHBondContact NH2-OD1 3.28Å; S282-D376 WeakPolarHBondContact CB-OD2 3.33Å; S282-D376 WeakPolarHBondContact OG-CB 3.44Å; S282-D376 PolarHBondContact OG-OD2 3.06Å; A372-D376 PolarHBondContact O-N 3.47Å; D376-R378 VanDerWaalsContact C-N 3.29Å; D376-R378 PolarHBondContact O-N 3.29Å; D376-G379 PolarHBondContact O-N 3.48Å; D376-M380 WeakPolarHBondContact O-CB 3.42Å; D376-M380 VanDerWaalsContact O-CG 3.31Å; D376-M380 WeakPolarHBondContact O-CG 3.27Å; D376-M380 PolarHBondContact O-N 2.88Å |
| 377 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -39 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y350 A373 L374 G379 M380 I381 V387 | Y350-A377 WeakPolarHBondContact OH-CB 3.45Å; A373-A377 VanDerWaalsContact O-CB 3.3Å; A373-A377 WeakPolarHBondContact O-CB 3.34Å; A373-A377 PolarHBondContact O-N 3.11Å; L374-A377 PolarHBondContact O-N 3.08Å; A377-G379 VanDerWaalsContact C-N 3.32Å; A377-G379 PolarHBondContact O-N 3.41Å; A377-M380 PolarHBondContact O-N 2.84Å; A377-I381 HydrophobicContact CB-CD1 3.94Å; A377-I381 VanDerWaalsContact O-CB 3.27Å; A377-I381 WeakPolarHBondContact O-CB 3.48Å; A377-I381 VanDerWaalsContact O-CG1 3.32Å; A377-I381 WeakPolarHBondContact O-CG1 3.46Å; A377-I381 PolarHBondContact O-N 2.8Å; A377-V387 HydrophobicContact CB-CG1 4.46Å |
| 378 | R | 97.2 | Very high | 95.1 | Very high | 140 Ų | 140 | 49.8 Ų | 49.8 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 174.1 | -75 | 170.2 | 174.2 | 167.5 | -1.1 | 112.9 | L374 E375 D376 V387 | L374-R378 HydrophobicContact CD1-CG 4.31Å; L374-R378 VanDerWaalsContact O-CG 3.31Å; L374-R378 WeakPolarHBondContact O-CG 3.39Å; L374-R378 PolarHBondContact O-N 2.88Å; E375-R378 PolarHBondContact O-N 3.43Å; D376-R378 VanDerWaalsContact C-N 3.29Å; D376-R378 PolarHBondContact O-N 3.29Å; R378-V387 HydrophobicContact CG-CG1 3.8Å |
| 379 | G | 95.9 | Very high | 94.9 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -78.2 | -25 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E375 D376 A377 | E375-G379 PolarHBondContact O-N 3Å; E375-G379 VanDerWaalsContact O-N 3.17Å; D376-G379 PolarHBondContact O-N 3.48Å; A377-G379 VanDerWaalsContact C-N 3.32Å; A377-G379 PolarHBondContact O-N 3.41Å |
| 380 | M | 97.3 | Very high | 94.4 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.069 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -103.6 | -25.8 | -171.4 | -71.1 | -169.6 | -171.8 | 0 | 0 | 115 | V271 R284 D376 A377 | V271-M380 HydrophobicContact CB-CE 3.66Å; V271-M380 HydrophobicContact CG2-CE 3.27Å; R284-M380 HydrophobicContact CB-CB 3.97Å; R284-M380 HydrophobicContact CB-CG 3.95Å; R284-M380 HydrophobicContact CB-SD 3.91Å; R284-M380 VanDerWaalsContact CD-O 3.32Å; R284-M380 WeakPolarHBondContact CD-O 3.21Å; R284-M380 HydrophobicContact CG-CB 4.42Å; D376-M380 WeakPolarHBondContact O-CB 3.42Å; D376-M380 VanDerWaalsContact O-CG 3.31Å; D376-M380 WeakPolarHBondContact O-CG 3.27Å; D376-M380 PolarHBondContact O-N 2.88Å; A377-M380 PolarHBondContact O-N 2.84Å |
| 381 | I | 96.4 | Very high | 93 | Very high | 24 Ų | 24 | 58.4 Ų | 58.4 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | trans | -96.4 | 120 | -179.3 | -59.8 | 169 | 0 | 0 | 0 | 109.2 | H151 A377 D383 K386 V387 | H151-I381 HydrophobicContact CB-CD1 4.18Å; H151-I381 HydrophobicContact CB-CG1 3.6Å; A377-I381 HydrophobicContact CB-CD1 3.94Å; A377-I381 VanDerWaalsContact O-CB 3.27Å; A377-I381 WeakPolarHBondContact O-CB 3.48Å; A377-I381 VanDerWaalsContact O-CG1 3.32Å; A377-I381 WeakPolarHBondContact O-CG1 3.46Å; A377-I381 PolarHBondContact O-N 2.8Å; I381-D383 VanDerWaalsContact CG2-O 3.29Å; I381-D383 WeakPolarHBondContact CG2-O 3.18Å; I381-K386 HydrophobicContact CG2-CB 3.93Å; I381-V387 HydrophobicContact CB-CG2 4.01Å; I381-V387 HydrophobicContact CD1-CG2 4.31Å; I381-V387 HydrophobicContact CG2-CG2 4.18Å | ||
| 382 | S | 91.1 | Very high | 90.9 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -72.3 | -32.4 | -178.5 | -52.1 | 0 | 0 | 0 | 0 | 113.8 | P384 | S382-P384 WeakPolarHBondContact O-CD 3.32Š|
| 383 | D | 91.8 | Very high | 88.2 | Confident | 61 Ų | 61 | 64.7 Ų | 64.7 | 33% | 0.326 | 37% | 0.372 | S | S | . | . | trans | -90.5 | 109.2 | 177.1 | -177.1 | -4.3 | 0 | 0 | 0 | 110.3 | I381 N385 K386 | I381-D383 VanDerWaalsContact CG2-O 3.29Å; I381-D383 WeakPolarHBondContact CG2-O 3.18Å; D383-N385 PolarHBondContact O-N 3.24Å; D383-N385 VanDerWaalsContact O-N 3.12Å; D383-N385 WeakPolarHBondContact OD1-CB 3.32Å; D383-N385 PolarHBondContact OD1-N 2.74Å; D383-N385 PolarHBondContact OD1-ND2 3.17Å; D383-K386 HydrophobicContact CB-CB 4.29Å; D383-K386 HydrophobicContact CB-CD 4.17Å; D383-K386 HydrophobicContact CB-CG 4.07Å; D383-K386 PolarHBondContact O-N 2.87Å | ||
| 384 | P | 89.1 | Confident | 85.1 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.8 | -24.3 | -177.4 | 26.4 | -35 | 0 | 0 | 0 | 112.8 | S382 K386 V387 | S382-P384 WeakPolarHBondContact O-CD 3.32Å; P384-K386 VanDerWaalsContact C-N 3.25Å; P384-K386 PolarHBondContact O-N 3.24Å; P384-V387 PolarHBondContact O-N 2.79Å |
| 385 | N | 88.6 | Confident | 82 | Confident | 135 Ų | 135 | 75.7 Ų | 75.7 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -72.3 | -22.7 | 177.6 | -56.3 | -59.5 | 0 | 0 | 0 | 112.3 | D383 | D383-N385 PolarHBondContact O-N 3.24Å; D383-N385 VanDerWaalsContact O-N 3.12Å; D383-N385 WeakPolarHBondContact OD1-CB 3.32Å; D383-N385 PolarHBondContact OD1-N 2.74Å; D383-N385 PolarHBondContact OD1-ND2 3.17Å |
| 386 | K | 91.2 | Very high | 79.1 | Confident | 108 Ų | 108 | 77.9 Ų | 77.9 | 47% | 0.47 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -87.6 | -13.9 | 176.9 | -66.8 | -172.8 | -178.9 | -171.6 | 0 | 112.9 | R161 I381 D383 P384 H388 | R161-K386 PolarHBondContact NH1-O 2.89Å; R161-K386 PolarHBondContact NH2-O 2.9Å; I381-K386 HydrophobicContact CG2-CB 3.93Å; D383-K386 HydrophobicContact CB-CB 4.29Å; D383-K386 HydrophobicContact CB-CD 4.17Å; D383-K386 HydrophobicContact CB-CG 4.07Å; D383-K386 PolarHBondContact O-N 2.87Å; P384-K386 VanDerWaalsContact C-N 3.25Å; P384-K386 PolarHBondContact O-N 3.24Å; K386-H388 VanDerWaalsContact C-N 3.28Å; K386-H388 PolarHBondContact O-N 2.91Å |
| 387 | V | 95 | Very high | 76.2 | Confident | 7 Ų | 7 | 81.2 Ų | 81.2 | 4% | 0.042 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | R161 Y350 L374 A377 R378 I381 P384 | R161-V387 PolarHBondContact NH1-O 3.05Å; Y350-V387 WeakPolarHBondContact CE2-O 3.24Å; L374-V387 HydrophobicContact CD1-CG1 3.63Å; A377-V387 HydrophobicContact CB-CG1 4.46Å; R378-V387 HydrophobicContact CG-CG1 3.8Å; I381-V387 HydrophobicContact CB-CG2 4.01Å; I381-V387 HydrophobicContact CD1-CG2 4.31Å; I381-V387 HydrophobicContact CG2-CG2 4.18Å; P384-V387 PolarHBondContact O-N 2.79Å |
| 388 | H | 93.8 | Very high | 73.3 | Confident | 61 Ų | 61 | 85.3 Ų | 85.3 | 28% | 0.282 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -93.6 | 120.4 | -178.6 | -65.5 | -67.3 | 0 | 0 | 0 | 111.1 | A346 D348 K386 | A346-H388 WeakPolarHBondContact CB-ND1 3.5Å; D348-H388 HydrophobicContact CB-CB 4.41Å; D348-H388 VanDerWaalsContact OD2-CA 3.29Å; D348-H388 WeakPolarHBondContact OD2-CA 3.42Å; D348-H388 WeakPolarHBondContact OD2-CB 3.46Å; D348-H388 IonicContact OD2-CE1 2.7Å; D348-H388 IonicContact OD2-CG 2.81Å; D348-H388 IonicContact OD2-ND1 3.41Å; D348-H388 PolarHBondContact OD2-ND1 3.43Å; K386-H388 VanDerWaalsContact C-N 3.28Å; K386-H388 PolarHBondContact O-N 2.91Å |
| 389 | L | 90.1 | Very high | 70.6 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 15% | 0.152 | 52% | 0.52 | C | S | . | . | trans | -104.3 | 106.3 | 175.1 | -57.7 | 177.1 | 0 | 0 | 0 | 108.9 | R161 D165 D348 I349 L391 | R161-L389 HydrophobicContact CG-CD1 4.31Å; D165-L389 HydrophobicContact CB-CD1 3.91Å; D165-L389 HydrophobicContact CB-CD2 3.93Å; D165-L389 VanDerWaalsContact O-CD1 3.31Å; D165-L389 WeakPolarHBondContact O-CD1 3.31Å; D348-L389 WeakPolarHBondContact CB-O 3.43Å; I349-L389 HydrophobicContact CD1-CB 4.16Å; I349-L389 HydrophobicContact CD1-CD1 3.85Å; I349-L389 HydrophobicContact CD1-CG 4.24Å; I349-L389 HydrophobicContact CG1-CB 4.01Å; I349-L389 HydrophobicContact CG2-CB 3.9Å; I349-L389 WeakPolarHBondContact CG2-O 3.49Å; I349-L389 PolarHBondContact N-O 2.85Å; L389-L391 PolarHBondContact O-N 3.34Å | ||
| 390 | L | 84.6 | Confident | 68.1 | Low | 131 Ų | 131 | 83.6 Ų | 83.6 | 69% | 0.686 | 52% | 0.518 | S | S | * | . | trans | -72.3 | 124 | 171.2 | -63.9 | 176.4 | 0 | 0 | 0 | 108 | D348 V392 | D348-L390 HydrophobicContact CB-CD2 4.43Å; L390-V392 PolarHBondContact O-N 3.19Å | ||
| 391 | L | 67.8 | Low | 65.7 | Low | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | trans | -61.3 | 108.7 | 169.6 | -80.3 | 143.9 | 0 | 0 | 0 | 107.7 | I349 Q352 L389 G393 | I349-L391 HydrophobicContact CG2-CD1 4.36Å; I349-L391 HydrophobicContact CG2-CG 4.18Å; Q352-L391 HydrophobicContact CB-CD1 4.15Å; Q352-L391 HydrophobicContact CG-CD1 3.46Å; Q352-L391 VanDerWaalsContact CG-CD1 3.46Å; L389-L391 PolarHBondContact O-N 3.34Å; L391-G393 PolarHBondContact O-N 2.86Å | ||
| 392 | V | 53.7 | Low | 63.3 | Low | 119 Ų | 119 | 90.3 Ų | 90.3 | 72% | 0.721 | 56% | 0.559 | S | S | * | * | trans | -65.5 | 97 | 164.7 | -178.5 | 0 | 0 | 0 | 0 | 104.8 | L390 N394 A395 | L390-V392 PolarHBondContact O-N 3.19Å; V392-N394 PolarHBondContact O-N 2.91Å; V392-A395 HydrophobicContact CG1-CB 4.35Å | ||
| 393 | G | 40 | Very low | 61.6 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 68% | 0.68 | 55% | 0.55 | S | S | * | * | trans | -55 | 114.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | L391 A395 | L391-G393 PolarHBondContact O-N 2.86Å; G393-A395 VanDerWaalsContact C-N 3.26Å; G393-A395 PolarHBondContact O-N 3.41Å | ||
| 394 | N | 34.5 | Very low | 59.8 | Low | 164 Ų | 164 | 92 Ų | 92 | 88% | 0.877 | 56% | 0.564 | S | S | * | * | trans | -15.7 | 81.6 | -177 | -74.8 | -25.8 | 0 | 0 | 0 | 113.3 | V392 D396 | V392-N394 PolarHBondContact O-N 2.91Å; N394-D396 VanDerWaalsContact C-N 3.35Å; N394-D396 PolarHBondContact O-N 3.48Å | ||
| 395 | A | 32.1 | Very low | 58.2 | Low | 79 Ų | 79 | 92.6 Ų | 92.6 | 65% | 0.653 | 56% | 0.561 | S | S | * | * | trans | -81.7 | 98.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 103.3 | V392 G393 G397 | V392-A395 HydrophobicContact CG1-CB 4.35Å; G393-A395 VanDerWaalsContact C-N 3.26Å; G393-A395 PolarHBondContact O-N 3.41Å; A395-G397 PolarHBondContact O-N 2.88Å | ||
| 396 | D | 35.5 | Very low | 56.9 | Low | 147 Ų | 147 | 91.2 Ų | 91.2 | 79% | 0.786 | 55% | 0.553 | S | S | * | * | trans | 26.8 | 93 | 169.7 | -78.5 | -33.3 | 0 | 0 | 0 | 114.3 | N394 S398 | N394-D396 VanDerWaalsContact C-N 3.35Å; N394-D396 PolarHBondContact O-N 3.48Å; D396-S398 PolarHBondContact O-N 3.06Å | ||
| 397 | G | 36.2 | Very low | 55.5 | Low | 81 Ų | 81 | 88.4 Ų | 88.4 | 84% | 0.835 | 55% | 0.55 | S | S | * | . | trans | -62.6 | 71.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | A395 S399 | A395-G397 PolarHBondContact O-N 2.88Å; G397-S399 PolarHBondContact O-N 3.19Å | ||
| 398 | S | 36.5 | Very low | 54.1 | Low | 87 Ų | 87 | 92.3 Ų | 92.3 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | trans | -63.3 | 85.8 | 160 | 62 | 0 | 0 | 0 | 0 | 105.6 | D396 P400 | D396-S398 PolarHBondContact O-N 3.06Å; S398-P400 VanDerWaalsContact O-N 3.11Å | ||
| 399 | S | 41.2 | Very low | 52.5 | Low | 68 Ų | 68 | 91.5 Ų | 91.5 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | trans | -45.3 | 122.1 | 164.2 | -176.6 | 0 | 0 | 0 | 0 | 106.2 | G397 C401 L402 P403 | G397-S399 PolarHBondContact O-N 3.19Å; S399-C401 PolarHBondContact O-N 2.82Å; S399-L402 PolarHBondContact O-N 3.34Å; S399-P403 WeakPolarHBondContact O-CD 3.18Å | ||
| 400 | P | 43.6 | Very low | 51.4 | Low | 103 Ų | 103 | 94.1 Ų | 94.1 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -6.4 | -175.3 | 22.6 | -32.3 | 0 | 0 | 0 | 112.6 | S398 | S398-P400 VanDerWaalsContact O-N 3.11Š|
| 401 | C | 46.6 | Very low | 50.3 | Low | 72 Ų | 72 | 93 Ų | 93 | 49% | 0.486 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.4 | -35.7 | 173.1 | -138.8 | 0 | 0 | 0 | 0 | 113.7 | S399 L404 I405 | S399-C401 PolarHBondContact O-N 2.82Å; C401-L404 PolarHBondContact O-N 3.06Å; C401-I405 HydrophobicContact CB-CD1 4.26Å; C401-I405 WeakPolarHBondContact O-CB 3.27Å; C401-I405 WeakPolarHBondContact O-CD1 3.48Å; C401-I405 WeakPolarHBondContact O-CG1 3.48Å; C401-I405 PolarHBondContact O-N 3.33Å |
| 402 | L | 47.1 | Very low | 49.9 | Very low | 106 Ų | 106 | 91.2 Ų | 91.2 | 56% | 0.555 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.6 | -47.5 | -176.2 | -111.7 | 153.3 | 0 | 0 | 0 | 114.2 | S399 L404 I405 L406 | S399-L402 PolarHBondContact O-N 3.34Å; L402-L404 VanDerWaalsContact C-N 3.29Å; L402-L404 PolarHBondContact O-N 2.63Å; L402-I405 PolarHBondContact O-N 3.45Å; L402-L406 WeakPolarHBondContact O-CG 3.25Å; L402-L406 PolarHBondContact O-N 2.97Å |
| 403 | P | 54.4 | Low | 50 | Low | 77 Ų | 77 | 92.3 Ų | 92.3 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.7 | -29.9 | 174.5 | 24.6 | -31.9 | 0 | 0 | 0 | 112.3 | S399 A407 | S399-P403 WeakPolarHBondContact O-CD 3.18Å; P403-A407 WeakPolarHBondContact O-CB 3.47Å; P403-A407 PolarHBondContact O-N 3.04Å |
| 404 | L | 54.1 | Low | 50.9 | Low | 118 Ų | 118 | 95 Ų | 95 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.5 | -39.6 | 177.2 | -132.8 | 119.9 | 0 | 0 | 0 | 112 | C401 L402 A407 V408 | C401-L404 PolarHBondContact O-N 3.06Å; L402-L404 VanDerWaalsContact C-N 3.29Å; L402-L404 PolarHBondContact O-N 2.63Å; L404-A407 PolarHBondContact O-N 2.91Å; L404-V408 WeakPolarHBondContact O-CB 3.14Å; L404-V408 VanDerWaalsContact O-CG2 3.25Å; L404-V408 WeakPolarHBondContact O-CG2 3.38Å; L404-V408 PolarHBondContact O-N 3.37Å |
| 405 | I | 56.6 | Low | 52 | Low | 104 Ų | 104 | 92.2 Ų | 92.2 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -42.2 | 174.3 | -70.4 | 162.8 | 0 | 0 | 0 | 110.2 | C401 L402 V408 A409 | C401-I405 HydrophobicContact CB-CD1 4.26Å; C401-I405 WeakPolarHBondContact O-CB 3.27Å; C401-I405 WeakPolarHBondContact O-CD1 3.48Å; C401-I405 WeakPolarHBondContact O-CG1 3.48Å; C401-I405 PolarHBondContact O-N 3.33Å; L402-I405 PolarHBondContact O-N 3.45Å; I405-V408 PolarHBondContact O-N 3.39Å; I405-A409 VanDerWaalsContact O-CB 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.33Å; I405-A409 PolarHBondContact O-N 3.31Å |
| 406 | L | 59.6 | Low | 52.9 | Low | 106 Ų | 106 | 94 Ų | 94 | 56% | 0.555 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -41.4 | 175.4 | -75.3 | 167.3 | 0 | 0 | 0 | 111.8 | L402 A409 V410 | L402-L406 WeakPolarHBondContact O-CG 3.25Å; L402-L406 PolarHBondContact O-N 2.97Å; L406-A409 PolarHBondContact O-N 3.31Å; L406-V410 WeakPolarHBondContact O-CB 3.25Å; L406-V410 VanDerWaalsContact O-CG2 3.26Å; L406-V410 WeakPolarHBondContact O-CG2 3.45Å; L406-V410 PolarHBondContact O-N 2.67Å |
| 407 | A | 62.7 | Low | 53.9 | Low | 48 Ų | 48 | 89.7 Ų | 89.7 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P403 L404 V410 L411 | P403-A407 WeakPolarHBondContact O-CB 3.47Å; P403-A407 PolarHBondContact O-N 3.04Å; L404-A407 PolarHBondContact O-N 2.91Å; A407-V410 PolarHBondContact O-N 2.92Å; A407-L411 WeakPolarHBondContact O-CB 3.2Å; A407-L411 WeakPolarHBondContact O-CD1 3.38Å; A407-L411 VanDerWaalsContact O-CG 3.31Å; A407-L411 WeakPolarHBondContact O-CG 3.34Å; A407-L411 PolarHBondContact O-N 3.43Å |
| 408 | V | 65.6 | Low | 54.7 | Low | 90 Ų | 90 | 91.2 Ų | 91.2 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.3 | L404 I405 L411 S412 | L404-V408 WeakPolarHBondContact O-CB 3.14Å; L404-V408 VanDerWaalsContact O-CG2 3.25Å; L404-V408 WeakPolarHBondContact O-CG2 3.38Å; L404-V408 PolarHBondContact O-N 3.37Å; I405-V408 PolarHBondContact O-N 3.39Å; V408-L411 PolarHBondContact O-N 2.91Å; V408-S412 WeakPolarHBondContact O-CB 3.49Å; V408-S412 PolarHBondContact O-N 3.19Å; V408-S412 PolarHBondContact O-OG 3.25Å |
| 409 | A | 60.5 | Low | 55.3 | Low | 44 Ų | 44 | 96.8 Ų | 96.8 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I405 L406 S412 E413 | I405-A409 VanDerWaalsContact O-CB 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.33Å; I405-A409 PolarHBondContact O-N 3.31Å; L406-A409 PolarHBondContact O-N 3.31Å; A409-S412 PolarHBondContact O-N 2.99Å; A409-S412 PolarHBondContact O-OG 3.12Å; A409-E413 WeakPolarHBondContact O-CG 3.44Å; A409-E413 PolarHBondContact O-N 3.19Å |
| 410 | V | 67.1 | Low | 55.9 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 178.5 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | L406 A407 S412 E413 H414 | L406-V410 WeakPolarHBondContact O-CB 3.25Å; L406-V410 VanDerWaalsContact O-CG2 3.26Å; L406-V410 WeakPolarHBondContact O-CG2 3.45Å; L406-V410 PolarHBondContact O-N 2.67Å; A407-V410 PolarHBondContact O-N 2.92Å; V410-S412 VanDerWaalsContact C-N 3.33Å; V410-S412 PolarHBondContact O-N 3.12Å; V410-E413 PolarHBondContact O-N 3.33Å; V410-H414 PolarHBondContact O-CD2 2.97Å; V410-H414 PolarHBondContact O-N 3.05Å |
| 411 | L | 61.7 | Low | 56.2 | Low | 108 Ų | 108 | 96.5 Ų | 96.5 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.8 | -36.1 | 174.4 | -78.4 | 162.3 | 0 | 0 | 0 | 112 | A407 V408 L415 | A407-L411 WeakPolarHBondContact O-CB 3.2Å; A407-L411 WeakPolarHBondContact O-CD1 3.38Å; A407-L411 VanDerWaalsContact O-CG 3.31Å; A407-L411 WeakPolarHBondContact O-CG 3.34Å; A407-L411 PolarHBondContact O-N 3.43Å; V408-L411 PolarHBondContact O-N 2.91Å; L411-L415 WeakPolarHBondContact O-CB 3.29Å; L411-L415 WeakPolarHBondContact O-CD1 3.43Å; L411-L415 WeakPolarHBondContact O-CG 3.4Å; L411-L415 PolarHBondContact O-N 2.93Å |
| 412 | S | 58.8 | Low | 56.3 | Low | 45 Ų | 45 | 100.8 Ų | 100.8 | 32% | 0.315 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.3 | -38.3 | 177.4 | 74 | 0 | 0 | 0 | 0 | 112.8 | V408 A409 V410 L416 | V408-S412 WeakPolarHBondContact O-CB 3.49Å; V408-S412 PolarHBondContact O-N 3.19Å; V408-S412 PolarHBondContact O-OG 3.25Å; A409-S412 PolarHBondContact O-N 2.99Å; A409-S412 PolarHBondContact O-OG 3.12Å; V410-S412 VanDerWaalsContact C-N 3.33Å; V410-S412 PolarHBondContact O-N 3.12Å; S412-L416 WeakPolarHBondContact O-CB 2.99Å; S412-L416 PolarHBondContact O-N 2.93Å |
| 413 | E | 56.1 | Low | 56.1 | Low | 142 Ų | 142 | 101.4 Ų | 101.4 | 66% | 0.664 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.3 | -43.3 | 173.9 | -74.9 | -95.9 | 145.9 | 0 | 0 | 111.3 | A409 V410 L416 A417 | A409-E413 WeakPolarHBondContact O-CG 3.44Å; A409-E413 PolarHBondContact O-N 3.19Å; V410-E413 PolarHBondContact O-N 3.33Å; E413-L416 PolarHBondContact O-N 3.18Å; E413-A417 WeakPolarHBondContact O-CB 3.25Å; E413-A417 PolarHBondContact O-N 2.9Å |
| 414 | H | 59.3 | Low | 55.4 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67 | -38.2 | 177.3 | -89.7 | -59.2 | 0 | 0 | 0 | 113.3 | V410 L416 A417 L418 | V410-H414 PolarHBondContact O-CD2 2.97Å; V410-H414 PolarHBondContact O-N 3.05Å; H414-L416 VanDerWaalsContact C-N 3.35Å; H414-A417 PolarHBondContact O-N 3.02Å; H414-L418 WeakPolarHBondContact O-CB 3.42Å; H414-L418 WeakPolarHBondContact O-CD1 3.36Å; H414-L418 WeakPolarHBondContact O-CG 3.49Å; H414-L418 PolarHBondContact O-N 3.37Å |
| 415 | L | 55.8 | Low | 55.5 | Low | 104 Ų | 104 | 108.9 Ų | 108.9 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.9 | -34.9 | 174.4 | -81.7 | 159.5 | 0 | 0 | 0 | 112 | L411 L418 W419 | L411-L415 WeakPolarHBondContact O-CB 3.29Å; L411-L415 WeakPolarHBondContact O-CD1 3.43Å; L411-L415 WeakPolarHBondContact O-CG 3.4Å; L411-L415 PolarHBondContact O-N 2.93Å; L415-L418 PolarHBondContact O-N 3.1Å; L415-W419 PolarHBondContact O-N 3.04Å; L415-W419 VanDerWaalsContact O-N 3.09Å |
| 416 | L | 52.5 | Low | 55.4 | Low | 118 Ų | 118 | 109.2 Ų | 109.2 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.9 | -37.7 | 175.3 | -148 | 81.5 | 0 | 0 | 0 | 112 | S412 E413 H414 W419 T420 | S412-L416 WeakPolarHBondContact O-CB 2.99Å; S412-L416 PolarHBondContact O-N 2.93Å; E413-L416 PolarHBondContact O-N 3.18Å; H414-L416 VanDerWaalsContact C-N 3.35Å; L416-W419 PolarHBondContact O-N 2.98Å; L416-T420 WeakPolarHBondContact O-CG2 3.36Å; L416-T420 PolarHBondContact O-N 3.14Å; L416-T420 PolarHBondContact O-OG1 3.09Å |
| 417 | A | 55.3 | Low | 55.2 | Low | 55 Ų | 55 | 109.3 Ų | 109.3 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.5 | -38.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E413 H414 T420 G421 | E413-A417 WeakPolarHBondContact O-CB 3.25Å; E413-A417 PolarHBondContact O-N 2.9Å; H414-A417 PolarHBondContact O-N 3.02Å; A417-T420 WeakPolarHBondContact CA-OG1 3.15Å; A417-T420 PolarHBondContact O-N 3.03Å; A417-T420 PolarHBondContact O-OG1 3.19Å; A417-G421 PolarHBondContact O-N 3.04Å |
| 418 | L | 53.8 | Low | 54.7 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 60% | 0.597 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.4 | -36.4 | 175 | -81.8 | 158.2 | 0 | 0 | 0 | 112.6 | H414 L415 | H414-L418 WeakPolarHBondContact O-CB 3.42Å; H414-L418 WeakPolarHBondContact O-CD1 3.36Å; H414-L418 WeakPolarHBondContact O-CG 3.49Å; H414-L418 PolarHBondContact O-N 3.37Å; L415-L418 PolarHBondContact O-N 3.1Å |
| 419 | W | 49.6 | Very low | 54.1 | Low | 203 Ų | 203 | 114.4 Ų | 114.4 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75 | -28.9 | 176.7 | -95.1 | 71.9 | 0 | 0 | 0 | 113.9 | L415 L416 | L415-W419 PolarHBondContact O-N 3.04Å; L415-W419 VanDerWaalsContact O-N 3.09Å; L416-W419 PolarHBondContact O-N 2.98Å |
| 420 | T | 53.6 | Low | 53.6 | Low | 101 Ų | 101 | 119.1 Ų | 119.1 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -85.5 | -21.6 | 177.6 | 48 | 0 | 0 | 0 | 0 | 112.9 | L416 A417 Q422 | L416-T420 WeakPolarHBondContact O-CG2 3.36Å; L416-T420 PolarHBondContact O-N 3.14Å; L416-T420 PolarHBondContact O-OG1 3.09Å; A417-T420 WeakPolarHBondContact CA-OG1 3.15Å; A417-T420 PolarHBondContact O-N 3.03Å; A417-T420 PolarHBondContact O-OG1 3.19Å; T420-Q422 VanDerWaalsContact C-N 3.26Å; T420-Q422 PolarHBondContact O-N 3.41Å |
| 421 | G | 49.4 | Very low | 52.7 | Low | 65 Ų | 65 | 121.6 Ų | 121.6 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 0.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A417 | A417-G421 PolarHBondContact O-N 3.04Š|
| 422 | Q | 48 | Very low | 52 | Low | 161 Ų | 161 | 122.7 Ų | 122.7 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 10.7 | 179.9 | -86.4 | 169.4 | -21 | 0 | 0 | 114.6 | T420 | T420-Q422 VanDerWaalsContact C-N 3.26Å; T420-Q422 PolarHBondContact O-N 3.41Å |
| 423 | C | 43.8 | Very low | 51.4 | Low | 120 Ų | 120 | 129.2 Ų | 129.2 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | trans | -102.3 | 90.4 | 167.2 | -71.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 424 | L | 39.8 | Very low | 51 | Low | 243 Ų | 243 | 128 Ų | 128 | 100% | 1.272 | 70% | 0.698 | S | S | * | * | trans | -111.3 | 0 | 162 | -126.4 | 151.1 | 0 | 0 | 0 | 108.5 |
Retrieved 424 of 424 residues in 142.3 ms
(Link to these results)