| 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 | 38.5 | Very low | 51.1 | Low | 230 Ų | 230 | 120.5 Ų | 120.5 | 100% | 1.133 | 66% | 0.664 | S | S | * | * | 0 | 69.8 | 0 | -179.3 | 172 | 172.4 | 0 | 0 | 106.1 | |||||
| 2 | E | 44.8 | Very low | 52 | Low | 183 Ų | 183 | 114.7 Ų | 114.7 | 86% | 0.855 | 63% | 0.631 | S | S | * | * | trans | -109.1 | 132.5 | -176.3 | -60.9 | 104 | 106.6 | 0 | 0 | 108.6 | ||||
| 3 | G | 44.3 | Very low | 52.5 | Low | 55 Ų | 55 | 115.5 Ų | 115.5 | 57% | 0.567 | 63% | 0.63 | S | S | * | * | trans | 163.6 | 30 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 4 | T | 51 | Low | 53.2 | Low | 101 Ų | 101 | 117.4 Ų | 117.4 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -119.8 | -40.2 | -177.7 | 41.6 | 0 | 0 | 0 | 0 | 112.4 | V8 | T4-V8 WeakPolarHBondContact O-CG2 3.2Å; T4-V8 PolarHBondContact O-N 3.02Å |
| 5 | D | 49.7 | Very low | 53.6 | Low | 129 Ų | 129 | 113.9 Ų | 113.9 | 69% | 0.69 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.4 | -41.1 | -178.8 | -58.5 | -81.4 | 0 | 0 | 0 | 112.8 | D7 V8 D9 | D5-D7 PolarHBondContact O-N 2.92Å; D5-V8 PolarHBondContact O-N 2.96Å; D5-D9 WeakPolarHBondContact O-CB 3.42Å; D5-D9 PolarHBondContact O-N 3.39Å |
| 6 | M | 48.8 | Very low | 54 | Low | 153 Ų | 153 | 108.9 Ų | 108.9 | 75% | 0.754 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.1 | -31.3 | -175.9 | -63.8 | -137.2 | 73.8 | 0 | 0 | 113.9 | A10 | M6-A10 VanDerWaalsContact O-CB 3.27Å; M6-A10 WeakPolarHBondContact O-CB 3.47Å; M6-A10 PolarHBondContact O-N 3.05Å |
| 7 | D | 53.7 | Low | 53.9 | Low | 121 Ų | 121 | 107.9 Ų | 107.9 | 65% | 0.647 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75 | -36.6 | 175.1 | -86.3 | -30 | 0 | 0 | 0 | 111.5 | D5 A10 E11 | D5-D7 PolarHBondContact O-N 2.92Å; D7-A10 PolarHBondContact O-N 3.26Å; D7-E11 WeakPolarHBondContact O-CB 3.43Å; D7-E11 PolarHBondContact O-N 3.16Å |
| 8 | V | 59.6 | Low | 53.7 | Low | 95 Ų | 95 | 108 Ų | 108 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.9 | -47.6 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | T4 D5 A10 E11 L12 | T4-V8 WeakPolarHBondContact O-CG2 3.2Å; T4-V8 PolarHBondContact O-N 3.02Å; D5-V8 PolarHBondContact O-N 2.96Å; V8-A10 VanDerWaalsContact C-N 3.32Å; V8-A10 PolarHBondContact O-N 3.22Å; V8-E11 PolarHBondContact O-N 3.03Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 PolarHBondContact O-N 3.31Å |
| 9 | D | 57.5 | Low | 53.9 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.8 | -36.6 | 179.8 | -149.5 | 21.8 | 0 | 0 | 0 | 111.3 | D5 M13 | D5-D9 WeakPolarHBondContact O-CB 3.42Å; D5-D9 PolarHBondContact O-N 3.39Å; D9-M13 WeakPolarHBondContact O-CB 3.1Å; D9-M13 WeakPolarHBondContact O-CG 3.42Å; D9-M13 PolarHBondContact O-N 3.33Å |
| 10 | A | 56 | Low | 54.2 | Low | 54 Ų | 54 | 104 Ų | 104 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M6 D7 V8 L12 M13 Q14 | M6-A10 VanDerWaalsContact O-CB 3.27Å; M6-A10 WeakPolarHBondContact O-CB 3.47Å; M6-A10 PolarHBondContact O-N 3.05Å; D7-A10 PolarHBondContact O-N 3.26Å; V8-A10 VanDerWaalsContact C-N 3.32Å; V8-A10 PolarHBondContact O-N 3.22Å; A10-L12 VanDerWaalsContact C-N 3.3Å; A10-L12 PolarHBondContact O-N 3.5Å; A10-M13 PolarHBondContact O-N 3.22Å; A10-Q14 WeakPolarHBondContact O-CB 3.31Å; A10-Q14 PolarHBondContact O-N 3.43Å |
| 11 | E | 58.5 | Low | 54.9 | Low | 105 Ų | 105 | 101.7 Ų | 101.7 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67 | -34 | 177.6 | -154.7 | -154.6 | 146.2 | 0 | 0 | 111.3 | D7 V8 Q14 K15 | D7-E11 WeakPolarHBondContact O-CB 3.43Å; D7-E11 PolarHBondContact O-N 3.16Å; V8-E11 PolarHBondContact O-N 3.03Å; E11-Q14 PolarHBondContact O-N 3.02Å; E11-K15 WeakPolarHBondContact O-CD 3.36Å; E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.31Å; E11-K15 PolarHBondContact O-N 3.06Å; E11-K15 WeakPolarHBondContact OE1-CE 3.32Å; E11-K15 IonicContact OE1-NZ 3.04Å; E11-K15 PolarHBondContact OE1-NZ 2.8Å; E11-K15 IonicContact OE2-NZ 3.29Å; E11-K15 PolarHBondContact OE2-NZ 3.14Å |
| 12 | L | 61.7 | Low | 56.6 | Low | 51 Ų | 51 | 97.2 Ų | 97.2 | 27% | 0.267 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.5 | -46.8 | 175.8 | -167.9 | 71.6 | 0 | 0 | 0 | 111.4 | V8 A10 Q14 K15 F16 | V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 PolarHBondContact O-N 3.31Å; A10-L12 VanDerWaalsContact C-N 3.3Å; A10-L12 PolarHBondContact O-N 3.5Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 2.84Å; L12-K15 WeakPolarHBondContact O-CA 3.38Å; L12-K15 WeakPolarHBondContact O-CB 3.24Å; L12-K15 PolarHBondContact O-N 3.44Å; L12-F16 HydrophobicContact CD1-CE2 4.1Å; L12-F16 HydrophobicContact CD2-CE2 3.96Å; L12-F16 HydrophobicContact CG-CD2 4.06Å; L12-F16 HydrophobicContact CG-CE2 3.59Å; L12-F16 WeakPolarHBondContact O-CD2 3.36Å; L12-F16 PolarHBondContact O-N 3.17Å |
| 13 | M | 58.8 | Low | 58.5 | Low | 125 Ų | 125 | 92 Ų | 92 | 62% | 0.616 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -56.9 | -39.1 | 170.9 | -78.4 | -89.9 | -83.9 | 0 | 0 | 112.2 | D9 A10 F16 S17 | D9-M13 WeakPolarHBondContact O-CB 3.1Å; D9-M13 WeakPolarHBondContact O-CG 3.42Å; D9-M13 PolarHBondContact O-N 3.33Å; A10-M13 PolarHBondContact O-N 3.22Å; M13-F16 PolarHBondContact O-N 3.47Å; M13-S17 PolarHBondContact O-N 3.46Å; M13-S17 VanDerWaalsContact O-N 3.17Å |
| 14 | Q | 61.9 | Low | 60.5 | Low | 142 Ų | 142 | 94.3 Ų | 94.3 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 174.4 | -169 | 173.7 | 9.8 | 0 | 0 | 111.7 | A10 E11 L12 F16 S17 | A10-Q14 WeakPolarHBondContact O-CB 3.31Å; A10-Q14 PolarHBondContact O-N 3.43Å; E11-Q14 PolarHBondContact O-N 3.02Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 2.84Å; Q14-F16 VanDerWaalsContact C-N 3.34Å; Q14-F16 PolarHBondContact O-N 3.19Å; Q14-S17 WeakPolarHBondContact O-CB 3.38Å; Q14-S17 PolarHBondContact O-N 2.99Å; Q14-S17 PolarHBondContact O-OG 3.12Å |
| 15 | K | 59.5 | Low | 62.3 | Low | 66 Ų | 66 | 95.1 Ų | 95.1 | 29% | 0.287 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 173.7 | -68.6 | 158.2 | -168.2 | 166.2 | 0 | 112.4 | E11 L12 S17 L34 | E11-K15 WeakPolarHBondContact O-CD 3.36Å; E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.31Å; E11-K15 PolarHBondContact O-N 3.06Å; E11-K15 WeakPolarHBondContact OE1-CE 3.32Å; E11-K15 IonicContact OE1-NZ 3.04Å; E11-K15 PolarHBondContact OE1-NZ 2.8Å; E11-K15 IonicContact OE2-NZ 3.29Å; E11-K15 PolarHBondContact OE2-NZ 3.14Å; L12-K15 WeakPolarHBondContact O-CA 3.38Å; L12-K15 WeakPolarHBondContact O-CB 3.24Å; L12-K15 PolarHBondContact O-N 3.44Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 3.04Å; K15-L34 HydrophobicContact CB-CD2 4.04Å; K15-L34 HydrophobicContact CD-CD2 3.73Å; K15-L34 HydrophobicContact CG-CD2 4.3Å |
| 16 | F | 59.4 | Low | 64.1 | Low | 33 Ų | 33 | 92 Ų | 92 | 15% | 0.145 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -69.4 | -25.8 | 175.2 | -77.3 | -61.7 | 0 | 0 | 0 | 114.2 | L12 M13 Q14 C18 M19 Q56 I59 | L12-F16 HydrophobicContact CD1-CE2 4.1Å; L12-F16 HydrophobicContact CD2-CE2 3.96Å; L12-F16 HydrophobicContact CG-CD2 4.06Å; L12-F16 HydrophobicContact CG-CE2 3.59Å; L12-F16 WeakPolarHBondContact O-CD2 3.36Å; L12-F16 PolarHBondContact O-N 3.17Å; M13-F16 PolarHBondContact O-N 3.47Å; Q14-F16 VanDerWaalsContact C-N 3.34Å; Q14-F16 PolarHBondContact O-N 3.19Å; F16-C18 PolarHBondContact O-N 3.1Å; F16-M19 HydrophobicContact CD1-CE 3.44Å; F16-M19 VanDerWaalsContact CD1-CE 3.44Å; F16-M19 HydrophobicContact CE1-CE 3.91Å; F16-M19 HydrophobicContact CG-CE 4.43Å; F16-M19 PolarHBondContact O-N 3.23Å; F16-Q56 HydrophobicContact CD1-CB 4.25Å; F16-Q56 HydrophobicContact CE1-CB 3.8Å; F16-Q56 HydrophobicContact CE1-CG 4.5Å; F16-Q56 VanDerWaalsContact CE2-CD 3.44Å; F16-Q56 VanDerWaalsContact CE2-NE2 3.3Å; F16-Q56 HydrophobicContact CZ-CB 4.1Å; F16-Q56 VanDerWaalsContact CZ-CD 3.45Å; F16-Q56 HydrophobicContact CZ-CG 4.38Å; F16-I59 HydrophobicContact CE1-CD1 3.94Å; F16-I59 HydrophobicContact CZ-CD1 3.7Å |
| 17 | S | 53.5 | Low | 66 | Low | 93 Ų | 93 | 85.3 Ų | 85.3 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.2 | -174.4 | 72.7 | 0 | 0 | 0 | 0 | 116 | M13 Q14 K15 | M13-S17 PolarHBondContact O-N 3.46Å; M13-S17 VanDerWaalsContact O-N 3.17Å; Q14-S17 WeakPolarHBondContact O-CB 3.38Å; Q14-S17 PolarHBondContact O-N 2.99Å; Q14-S17 PolarHBondContact O-OG 3.12Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 3.04Å |
| 18 | C | 49.7 | Very low | 67.6 | Low | 109 Ų | 109 | 80.5 Ų | 80.5 | 74% | 0.736 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -7.8 | -176.5 | -65.3 | 0 | 0 | 0 | 0 | 115.1 | F16 G20 | F16-C18 PolarHBondContact O-N 3.1Å; C18-G20 PolarHBondContact O-N 2.75Å |
| 19 | M | 56.9 | Low | 69 | Low | 53 Ų | 53 | 79.2 Ų | 79.2 | 26% | 0.261 | 46% | 0.459 | S | S | . | . | trans | -87.2 | 74.9 | -172.8 | -82.8 | -179.8 | -84.5 | 0 | 0 | 114.2 | F16 T21 L27 L55 | F16-M19 HydrophobicContact CD1-CE 3.44Å; F16-M19 VanDerWaalsContact CD1-CE 3.44Å; F16-M19 HydrophobicContact CE1-CE 3.91Å; F16-M19 HydrophobicContact CG-CE 4.43Å; F16-M19 PolarHBondContact O-N 3.23Å; M19-T21 VanDerWaalsContact C-N 3.34Å; M19-L27 HydrophobicContact SD-CD2 4.09Å; M19-L55 HydrophobicContact CE-CB 4.38Å; M19-L55 HydrophobicContact CE-CD2 3.78Å; M19-L55 HydrophobicContact CE-CG 4.32Å; M19-L55 HydrophobicContact SD-CB 3.76Å; M19-L55 HydrophobicContact SD-CD2 3.39Å; M19-L55 WeakPolarHBondContact SD-CD2 3.44Å; M19-L55 HydrophobicContact SD-CG 4.05Å | ||
| 20 | G | 60.4 | Low | 70.4 | Confident | 83 Ų | 83 | 77.1 Ų | 77.1 | 86% | 0.856 | 45% | 0.445 | S | S | * | . | trans | -91.5 | 12.4 | 160 | 0 | 0 | 0 | 0 | 0 | 114 | C18 | C18-G20 PolarHBondContact O-N 2.75Š| ||
| 21 | T | 68.9 | Low | 71.9 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 34% | 0.337 | 42% | 0.424 | S | S | . | . | trans | -94.4 | 143.7 | -174 | -170.6 | 0 | 0 | 0 | 0 | 112.9 | M19 D23 V26 L27 | M19-T21 VanDerWaalsContact C-N 3.34Å; T21-D23 WeakPolarHBondContact OG1-CB 3.27Å; T21-D23 PolarHBondContact OG1-N 2.99Å; T21-D23 VanDerWaalsContact OG1-N 3.14Å; T21-V26 HydrophobicContact CG2-CB 4.45Å; T21-V26 HydrophobicContact CG2-CG1 4Å; T21-L27 HydrophobicContact CG2-CD2 4.31Å; T21-L27 HydrophobicContact CG2-CG 4.35Å | ||
| 22 | T | 73.9 | Confident | 73.4 | Confident | 136 Ų | 136 | 71 Ų | 71 | 83% | 0.834 | 41% | 0.407 | S | S | * | . | trans | -107 | 5.1 | 169.3 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | K24 | T22-K24 PolarHBondContact O-N 3.24Š| ||
| 23 | D | 85.9 | Confident | 74.5 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | trans | -73.3 | 123.4 | -179.9 | -172 | -64.3 | 0 | 0 | 0 | 111.2 | T21 D25 V26 L27 | T21-D23 WeakPolarHBondContact OG1-CB 3.27Å; T21-D23 PolarHBondContact OG1-N 2.99Å; T21-D23 VanDerWaalsContact OG1-N 3.14Å; D23-D25 PolarHBondContact OD1-N 3.38Å; D23-V26 HydrophobicContact CB-CB 4.06Å; D23-V26 HydrophobicContact CB-CG2 3.9Å; D23-V26 PolarHBondContact OD1-N 3.13Å; D23-L27 WeakPolarHBondContact O-CB 3.49Å; D23-L27 WeakPolarHBondContact O-CD1 3.48Å; D23-L27 VanDerWaalsContact O-CG 3.24Å; D23-L27 WeakPolarHBondContact O-CG 3.22Å; D23-L27 PolarHBondContact O-N 3.32Å | ||
| 24 | K | 85.8 | Confident | 75.7 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 44% | 0.443 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.6 | -37.9 | -174 | -69 | -162.3 | 164.4 | -155.7 | 0 | 113.2 | T22 L27 I28 D49 W53 | T22-K24 PolarHBondContact O-N 3.24Å; K24-L27 PolarHBondContact O-N 3.29Å; K24-I28 WeakPolarHBondContact O-CD1 3.37Å; K24-I28 VanDerWaalsContact O-CG1 3.3Å; K24-I28 WeakPolarHBondContact O-CG1 3.47Å; K24-I28 PolarHBondContact O-N 3.24Å; K24-D49 IonicContact NZ-OD1 3.99Å; K24-W53 HydrophobicContact CB-CE3 3.92Å; K24-W53 HydrophobicContact CB-CH2 3.99Å; K24-W53 HydrophobicContact CB-CZ3 3.48Å; K24-W53 VanDerWaalsContact CB-CZ3 3.48Å; K24-W53 HydrophobicContact CD-CD2 3.97Å; K24-W53 HydrophobicContact CD-CE3 3.96Å; K24-W53 HydrophobicContact CD-CH2 3.71Å; K24-W53 HydrophobicContact CD-CZ2 3.72Å; K24-W53 HydrophobicContact CD-CZ3 3.82Å; K24-W53 VanDerWaalsContact CE-CE2 3.4Å; K24-W53 HydrophobicContact CG-CD2 4.01Å; K24-W53 HydrophobicContact CG-CE3 3.61Å; K24-W53 HydrophobicContact CG-CH2 4.05Å; K24-W53 HydrophobicContact CG-CZ2 4.42Å; K24-W53 HydrophobicContact CG-CZ3 3.62Å; K24-W53 VanDerWaalsContact NZ-CZ2 3.32Å |
| 25 | D | 88.2 | Confident | 76.6 | Confident | 118 Ų | 118 | 62.3 Ų | 62.3 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -74.7 | -34.4 | -178.3 | -65.8 | -45.8 | 0 | 0 | 0 | 110.6 | D23 S29 | D23-D25 PolarHBondContact OD1-N 3.38Å; D25-S29 VanDerWaalsContact O-CB 3.32Å; D25-S29 WeakPolarHBondContact O-CB 3.24Å; D25-S29 PolarHBondContact O-N 3.45Å; D25-S29 PolarHBondContact O-OG 3.04Å |
| 26 | V | 87.9 | Confident | 77.5 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | T21 D23 I28 S29 E30 | T21-V26 HydrophobicContact CG2-CB 4.45Å; T21-V26 HydrophobicContact CG2-CG1 4Å; D23-V26 HydrophobicContact CB-CB 4.06Å; D23-V26 HydrophobicContact CB-CG2 3.9Å; D23-V26 PolarHBondContact OD1-N 3.13Å; V26-I28 PolarHBondContact O-N 2.74Å; V26-S29 PolarHBondContact O-N 3.48Å; V26-E30 HydrophobicContact CG1-CG 4.38Å; V26-E30 WeakPolarHBondContact O-CB 3.26Å; V26-E30 PolarHBondContact O-N 3.08Å |
| 27 | L | 87.6 | Confident | 78.5 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 178.2 | -73.7 | 165.4 | 0 | 0 | 0 | 112.3 | M19 T21 D23 K24 F31 L48 W53 L55 | M19-L27 HydrophobicContact SD-CD2 4.09Å; T21-L27 HydrophobicContact CG2-CD2 4.31Å; T21-L27 HydrophobicContact CG2-CG 4.35Å; D23-L27 WeakPolarHBondContact O-CB 3.49Å; D23-L27 WeakPolarHBondContact O-CD1 3.48Å; D23-L27 VanDerWaalsContact O-CG 3.24Å; D23-L27 WeakPolarHBondContact O-CG 3.22Å; D23-L27 PolarHBondContact O-N 3.32Å; K24-L27 PolarHBondContact O-N 3.29Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 2.99Å; L27-L48 HydrophobicContact CB-CD1 4.11Å; L27-L48 HydrophobicContact CB-CD2 4.45Å; L27-W53 HydrophobicContact CB-CE3 4.45Å; L27-W53 HydrophobicContact CD1-CB 4.33Å; L27-W53 HydrophobicContact CD1-CE3 4.23Å; L27-L55 HydrophobicContact CD2-CB 4.14Å |
| 28 | I | 88.6 | Confident | 79.5 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 11% | 0.108 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 173.2 | -70.2 | 160.4 | 0 | 0 | 0 | 110.9 | K24 V26 F31 Q32 P41 C44 A45 L48 W53 | K24-I28 WeakPolarHBondContact O-CD1 3.37Å; K24-I28 VanDerWaalsContact O-CG1 3.3Å; K24-I28 WeakPolarHBondContact O-CG1 3.47Å; K24-I28 PolarHBondContact O-N 3.24Å; V26-I28 PolarHBondContact O-N 2.74Å; I28-F31 WeakPolarHBondContact O-CB 3.47Å; I28-F31 PolarHBondContact O-N 2.8Å; I28-Q32 WeakPolarHBondContact O-CG 3.33Å; I28-Q32 PolarHBondContact O-N 2.65Å; I28-P41 HydrophobicContact CG2-CB 4Å; I28-C44 HydrophobicContact CG2-CB 3.99Å; I28-A45 HydrophobicContact CD1-CB 3.8Å; I28-A45 HydrophobicContact CG1-CB 4.17Å; I28-L48 HydrophobicContact CB-CD1 4.47Å; I28-L48 HydrophobicContact CG1-CD1 3.81Å; I28-W53 HydrophobicContact CD1-CH2 4.06Å; I28-W53 HydrophobicContact CD1-CZ3 4.09Å; I28-W53 HydrophobicContact CG1-CH2 4.38Å; I28-W53 HydrophobicContact CG1-CZ3 4.06Å |
| 29 | S | 88.9 | Confident | 81 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | -178.5 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | D25 V26 Q32 R33 | D25-S29 VanDerWaalsContact O-CB 3.32Å; D25-S29 WeakPolarHBondContact O-CB 3.24Å; D25-S29 PolarHBondContact O-N 3.45Å; D25-S29 PolarHBondContact O-OG 3.04Å; V26-S29 PolarHBondContact O-N 3.48Å; S29-Q32 PolarHBondContact O-N 2.77Å; S29-R33 WeakPolarHBondContact O-CB 3.48Å; S29-R33 PolarHBondContact O-N 3.2Å |
| 30 | E | 86.7 | Confident | 82.4 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 175.6 | -79.6 | -63.1 | 126.5 | 0 | 0 | 112 | V26 R33 L34 L55 | V26-E30 HydrophobicContact CG1-CG 4.38Å; V26-E30 WeakPolarHBondContact O-CB 3.26Å; V26-E30 PolarHBondContact O-N 3.08Å; E30-R33 VanDerWaalsContact CD-NE 3.31Å; E30-R33 PolarHBondContact O-N 2.8Å; E30-R33 IonicContact OE1-CZ 3.61Å; E30-R33 IonicContact OE1-NE 3.75Å; E30-R33 PolarHBondContact OE1-NE 2.88Å; E30-R33 IonicContact OE1-NH2 3.91Å; E30-R33 IonicContact OE2-CZ 3.51Å; E30-R33 IonicContact OE2-NE 2.67Å; E30-R33 PolarHBondContact OE2-NE 2.96Å; E30-R33 IonicContact OE2-NH2 2.65Å; E30-R33 PolarHBondContact OE2-NH2 3.4Å; E30-L34 WeakPolarHBondContact O-CB 3.46Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.46Å; E30-L34 PolarHBondContact O-N 2.88Å; E30-L55 HydrophobicContact CB-CD2 3.8Å |
| 31 | F | 88.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -50.8 | 174.6 | -165.9 | -168.8 | 0 | 0 | 0 | 111.6 | L27 I28 R33 L34 L35 C44 F47 L48 L55 A58 I59 Y62 | L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 PolarHBondContact O-N 2.99Å; I28-F31 WeakPolarHBondContact O-CB 3.47Å; I28-F31 PolarHBondContact O-N 2.8Å; F31-R33 VanDerWaalsContact C-N 3.27Å; F31-R33 PolarHBondContact O-N 3.34Å; F31-L34 PolarHBondContact O-N 3.25Å; F31-L34 VanDerWaalsContact O-N 3.14Å; F31-L35 HydrophobicContact CD2-CD1 3.8Å; F31-L35 HydrophobicContact CD2-CD2 4.32Å; F31-L35 HydrophobicContact CD2-CG 3.75Å; F31-L35 HydrophobicContact CE2-CD1 3.38Å; F31-L35 HydrophobicContact CE2-CD2 3.99Å; F31-L35 HydrophobicContact CE2-CG 3.68Å; F31-L35 HydrophobicContact CZ-CD1 3.86Å; F31-L35 WeakPolarHBondContact O-CG 3.49Å; F31-L35 PolarHBondContact O-N 3.03Å; F31-C44 HydrophobicContact CB-CB 4.32Å; F31-C44 HydrophobicContact CD1-CB 3.48Å; F31-C44 VanDerWaalsContact CD1-CB 3.48Å; F31-C44 WeakPolarHBondContact CD1-SG 3.15Å; F31-C44 HydrophobicContact CE1-CB 4.08Å; F31-C44 HydrophobicContact CG-CB 4.21Å; F31-F47 HydrophobicContact CE1-CB 3.88Å; F31-F47 HydrophobicContact CZ-CB 4.14Å; F31-L48 HydrophobicContact CB-CD1 4.41Å; F31-L48 HydrophobicContact CD1-CD1 3.98Å; F31-L48 HydrophobicContact CD1-CG 3.96Å; F31-L48 HydrophobicContact CE1-CG 4.41Å; F31-L55 HydrophobicContact CB-CD1 3.37Å; F31-L55 HydrophobicContact CB-CD2 4.4Å; F31-L55 HydrophobicContact CD1-CD1 4.08Å; F31-L55 HydrophobicContact CD2-CD1 3.52Å; F31-L55 HydrophobicContact CE2-CD1 4.31Å; F31-L55 HydrophobicContact CG-CD1 3.39Å; F31-A58 HydrophobicContact CD1-CB 4.46Å; F31-A58 HydrophobicContact CE1-CB 3.96Å; F31-A58 HydrophobicContact CE2-CB 4.49Å; F31-A58 HydrophobicContact CZ-CB 3.97Å; F31-A58 WeakPolarHBondContact CZ-O 3.5Å; F31-I59 HydrophobicContact CD2-CD1 4.36Å; F31-I59 HydrophobicContact CD2-CG1 3.61Å; F31-I59 HydrophobicContact CE2-CB 4.38Å; F31-I59 HydrophobicContact CE2-CG1 3.52Å; F31-Y62 HydrophobicContact CZ-CG 4.48Å |
| 32 | Q | 88.5 | Confident | 84.7 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 175.8 | -70.6 | -166.3 | -80.9 | 0 | 0 | 112 | I28 S29 L35 G36 F37 L39 C44 | I28-Q32 WeakPolarHBondContact O-CG 3.33Å; I28-Q32 PolarHBondContact O-N 2.65Å; S29-Q32 PolarHBondContact O-N 2.77Å; Q32-L35 CarbonylContact O-C 3.58Å; Q32-L35 PolarHBondContact O-N 3.24Å; Q32-G36 PolarHBondContact O-N 3.08Å; Q32-F37 HydrophobicContact CB-CD1 3.99Å; Q32-F37 HydrophobicContact CB-CE1 4.23Å; Q32-F37 WeakPolarHBondContact O-CA 3.43Å; Q32-F37 PolarHBondContact O-N 2.95Å; Q32-L39 PolarHBondContact NE2-O 3.38Å; Q32-C44 HydrophobicContact CG-CB 4.14Å; Q32-C44 WeakPolarHBondContact CG-SG 3.43Å |
| 33 | R | 85.7 | Confident | 85.2 | Confident | 102 Ų | 102 | 62.1 Ų | 62.1 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 176.8 | -170 | -173.9 | 69.4 | 71 | 0.3 | 112.2 | S29 E30 F31 G36 F37 | S29-R33 WeakPolarHBondContact O-CB 3.48Å; S29-R33 PolarHBondContact O-N 3.2Å; E30-R33 VanDerWaalsContact CD-NE 3.31Å; E30-R33 PolarHBondContact O-N 2.8Å; E30-R33 IonicContact OE1-CZ 3.61Å; E30-R33 IonicContact OE1-NE 3.75Å; E30-R33 PolarHBondContact OE1-NE 2.88Å; E30-R33 IonicContact OE1-NH2 3.91Å; E30-R33 IonicContact OE2-CZ 3.51Å; E30-R33 IonicContact OE2-NE 2.67Å; E30-R33 PolarHBondContact OE2-NE 2.96Å; E30-R33 IonicContact OE2-NH2 2.65Å; E30-R33 PolarHBondContact OE2-NH2 3.4Å; F31-R33 VanDerWaalsContact C-N 3.27Å; F31-R33 PolarHBondContact O-N 3.34Å; R33-G36 PolarHBondContact O-N 2.9Å; R33-F37 HydrophobicContact CB-CZ 4.49Å |
| 34 | L | 84.1 | Confident | 85.3 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.9 | -32.8 | 178.6 | -70.5 | 167.4 | 0 | 0 | 0 | 112.2 | K15 E30 F31 G36 L55 I59 | K15-L34 HydrophobicContact CB-CD2 4.04Å; K15-L34 HydrophobicContact CD-CD2 3.73Å; K15-L34 HydrophobicContact CG-CD2 4.3Å; E30-L34 WeakPolarHBondContact O-CB 3.46Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.46Å; E30-L34 PolarHBondContact O-N 2.88Å; F31-L34 PolarHBondContact O-N 3.25Å; F31-L34 VanDerWaalsContact O-N 3.14Å; L34-G36 VanDerWaalsContact C-N 3.27Å; L34-G36 PolarHBondContact O-N 3.22Å; L34-L55 HydrophobicContact CD1-CD2 3.91Å; L34-I59 HydrophobicContact CB-CD1 4.08Å; L34-I59 HydrophobicContact CD1-CD1 3.52Å; L34-I59 HydrophobicContact CG-CD1 4.4Å |
| 35 | L | 80.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 14.7 | 172.9 | -56.6 | -169.5 | 0 | 0 | 0 | 114.2 | F31 Q32 F37 Q38 L39 Y62 Y63 | F31-L35 HydrophobicContact CD2-CD1 3.8Å; F31-L35 HydrophobicContact CD2-CD2 4.32Å; F31-L35 HydrophobicContact CD2-CG 3.75Å; F31-L35 HydrophobicContact CE2-CD1 3.38Å; F31-L35 HydrophobicContact CE2-CD2 3.99Å; F31-L35 HydrophobicContact CE2-CG 3.68Å; F31-L35 HydrophobicContact CZ-CD1 3.86Å; F31-L35 WeakPolarHBondContact O-CG 3.49Å; F31-L35 PolarHBondContact O-N 3.03Å; Q32-L35 CarbonylContact O-C 3.58Å; Q32-L35 PolarHBondContact O-N 3.24Å; L35-F37 PolarHBondContact O-N 3.16Å; L35-F37 VanDerWaalsContact O-N 3.1Å; L35-Q38 WeakPolarHBondContact O-CB 3.46Å; L35-Q38 WeakPolarHBondContact O-CG 3.43Å; L35-Q38 PolarHBondContact O-N 2.84Å; L35-Q38 VanDerWaalsContact O-N 3.11Å; L35-L39 HydrophobicContact CD1-CB 4.01Å; L35-L39 HydrophobicContact CD1-CD2 4.37Å; L35-Y62 HydrophobicContact CD1-CD1 3.58Å; L35-Y62 HydrophobicContact CD1-CD2 3.88Å; L35-Y62 HydrophobicContact CD1-CE1 3.53Å; L35-Y62 HydrophobicContact CD1-CE2 3.86Å; L35-Y62 HydrophobicContact CD1-CG 3.72Å; L35-Y62 HydrophobicContact CD2-CD1 3.4Å; L35-Y62 HydrophobicContact CD2-CE1 3.36Å; L35-Y62 HydrophobicContact CD2-CG 4.31Å; L35-Y62 HydrophobicContact CG-CD1 4.1Å; L35-Y62 HydrophobicContact CG-CE1 3.94Å; L35-Y63 HydrophobicContact CD2-CE2 4.11Å |
| 36 | G | 78.2 | Confident | 85.6 | Confident | 53 Ų | 53 | 54.7 Ų | 54.7 | 55% | 0.546 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 27.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q32 R33 L34 Q38 | Q32-G36 PolarHBondContact O-N 3.08Å; R33-G36 PolarHBondContact O-N 2.9Å; L34-G36 VanDerWaalsContact C-N 3.27Å; L34-G36 PolarHBondContact O-N 3.22Å; G36-Q38 VanDerWaalsContact C-N 3.25Å; G36-Q38 PolarHBondContact O-N 3.26Å |
| 37 | F | 79.4 | Confident | 85.6 | Confident | 142 Ų | 142 | 52.5 Ų | 52.5 | 62% | 0.623 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 19.7 | -175.4 | -54.1 | -85.2 | 0 | 0 | 0 | 115.9 | Q32 R33 L35 | Q32-F37 HydrophobicContact CB-CD1 3.99Å; Q32-F37 HydrophobicContact CB-CE1 4.23Å; Q32-F37 WeakPolarHBondContact O-CA 3.43Å; Q32-F37 PolarHBondContact O-N 2.95Å; R33-F37 HydrophobicContact CB-CZ 4.49Å; L35-F37 PolarHBondContact O-N 3.16Å; L35-F37 VanDerWaalsContact O-N 3.1Å |
| 38 | Q | 75.1 | Confident | 85.7 | Confident | 140 Ų | 140 | 52 Ų | 52 | 65% | 0.654 | 29% | 0.289 | S | S | * | . | trans | -66 | -38.2 | 175.9 | -64.5 | 179.8 | 16.8 | 0 | 0 | 112.1 | L35 G36 | L35-Q38 WeakPolarHBondContact O-CB 3.46Å; L35-Q38 WeakPolarHBondContact O-CG 3.43Å; L35-Q38 PolarHBondContact O-N 2.84Å; L35-Q38 VanDerWaalsContact O-N 3.11Å; G36-Q38 VanDerWaalsContact C-N 3.25Å; G36-Q38 PolarHBondContact O-N 3.26Å | ||
| 39 | L | 80.9 | Confident | 85.9 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -94.4 | 143 | 177.8 | -151.8 | 80.2 | 0 | 0 | 0 | 111.9 | Q32 L35 F47 Y62 | Q32-L39 PolarHBondContact NE2-O 3.38Å; L35-L39 HydrophobicContact CD1-CB 4.01Å; L35-L39 HydrophobicContact CD1-CD2 4.37Å; L39-F47 HydrophobicContact CD2-CD2 3.84Å; L39-F47 HydrophobicContact CD2-CE2 3.94Å; L39-Y62 HydrophobicContact CD1-CD2 4.49Å; L39-Y62 HydrophobicContact CD1-CE2 4.03Å; L39-Y62 HydrophobicContact CD2-CD2 4.44Å |
| 40 | N | 87.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 59 Ų | 59 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | trans | -81.3 | 162.6 | 178.1 | 75.5 | 63.4 | 0 | 0 | 0 | 112.3 | A42 G43 C44 | N40-A42 VanDerWaalsContact C-N 3.29Å; N40-A42 PolarHBondContact O-N 3.47Å; N40-A42 WeakPolarHBondContact OD1-CB 3.36Å; N40-A42 PolarHBondContact OD1-N 3.1Å; N40-A42 VanDerWaalsContact OD1-N 3.08Å; N40-G43 PolarHBondContact O-N 2.99Å; N40-G43 VanDerWaalsContact O-N 3.09Å; N40-G43 PolarHBondContact OD1-N 2.84Å; N40-C44 PolarHBondContact O-N 3.33Å | ||
| 41 | P | 87.5 | Confident | 85.8 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.7 | -33.8 | -172.5 | -20.3 | 29.4 | 0 | 0 | 0 | 114.1 | I28 C44 A45 | I28-P41 HydrophobicContact CG2-CB 4Å; P41-C44 PolarHBondContact O-N 2.82Å; P41-A45 WeakPolarHBondContact O-CB 3.46Å; P41-A45 PolarHBondContact O-N 2.95Å |
| 42 | A | 88.3 | Confident | 85.8 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 60% | 0.603 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -72.9 | -35.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | N40 F46 | N40-A42 VanDerWaalsContact C-N 3.29Å; N40-A42 PolarHBondContact O-N 3.47Å; N40-A42 WeakPolarHBondContact OD1-CB 3.36Å; N40-A42 PolarHBondContact OD1-N 3.1Å; N40-A42 VanDerWaalsContact OD1-N 3.08Å; A42-F46 WeakPolarHBondContact O-CB 3.32Å; A42-F46 PolarHBondContact O-N 2.8Å |
| 43 | G | 85.1 | Confident | 85.7 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 17% | 0.165 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N40 F46 F47 | N40-G43 PolarHBondContact O-N 2.99Å; N40-G43 VanDerWaalsContact O-N 3.09Å; N40-G43 PolarHBondContact OD1-N 2.84Å; G43-F46 WeakPolarHBondContact O-CB 3.18Å; G43-F46 PolarHBondContact O-N 2.6Å; G43-F46 VanDerWaalsContact O-N 3.17Å; G43-F47 WeakPolarHBondContact O-CD2 3.32Å; G43-F47 PolarHBondContact O-N 2.92Å |
| 44 | C | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.9 | -80.3 | 0 | 0 | 0 | 0 | 111.8 | I28 F31 Q32 N40 P41 F46 L48 | I28-C44 HydrophobicContact CG2-CB 3.99Å; F31-C44 HydrophobicContact CB-CB 4.32Å; F31-C44 HydrophobicContact CD1-CB 3.48Å; F31-C44 VanDerWaalsContact CD1-CB 3.48Å; F31-C44 WeakPolarHBondContact CD1-SG 3.15Å; F31-C44 HydrophobicContact CE1-CB 4.08Å; F31-C44 HydrophobicContact CG-CB 4.21Å; Q32-C44 HydrophobicContact CG-CB 4.14Å; Q32-C44 WeakPolarHBondContact CG-SG 3.43Å; N40-C44 PolarHBondContact O-N 3.33Å; P41-C44 PolarHBondContact O-N 2.82Å; C44-F46 VanDerWaalsContact C-N 3.29Å; C44-F46 PolarHBondContact O-N 2.91Å; C44-L48 VanDerWaalsContact O-CB 3.32Å; C44-L48 WeakPolarHBondContact O-CB 3.24Å; C44-L48 WeakPolarHBondContact O-CD1 3.29Å; C44-L48 WeakPolarHBondContact O-CG 3.43Å; C44-L48 PolarHBondContact O-N 3.16Å |
| 45 | A | 90.3 | Very high | 85.9 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I28 P41 D49 W53 | I28-A45 HydrophobicContact CD1-CB 3.8Å; I28-A45 HydrophobicContact CG1-CB 4.17Å; P41-A45 WeakPolarHBondContact O-CB 3.46Å; P41-A45 PolarHBondContact O-N 2.95Å; A45-D49 WeakPolarHBondContact O-CB 3.2Å; A45-D49 PolarHBondContact O-N 2.94Å; A45-W53 HydrophobicContact CB-CH2 4.35Å |
| 46 | F | 90.7 | Very high | 86.1 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 50% | 0.496 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.4 | -52.7 | 179.2 | 169.3 | -93.9 | 0 | 0 | 0 | 112.9 | A42 G43 C44 L48 D49 M50 | A42-F46 WeakPolarHBondContact O-CB 3.32Å; A42-F46 PolarHBondContact O-N 2.8Å; G43-F46 WeakPolarHBondContact O-CB 3.18Å; G43-F46 PolarHBondContact O-N 2.6Å; G43-F46 VanDerWaalsContact O-N 3.17Å; C44-F46 VanDerWaalsContact C-N 3.29Å; C44-F46 PolarHBondContact O-N 2.91Å; F46-L48 VanDerWaalsContact C-N 3.34Å; F46-L48 PolarHBondContact O-N 3.33Å; F46-D49 PolarHBondContact O-N 2.99Å; F46-M50 HydrophobicContact CD1-SD 4.33Å; F46-M50 HydrophobicContact CE1-CE 3.92Å; F46-M50 HydrophobicContact CE1-SD 3.71Å; F46-M50 HydrophobicContact CE2-CE 3.73Å; F46-M50 HydrophobicContact CE2-SD 4.36Å; F46-M50 HydrophobicContact CZ-CE 3.29Å; F46-M50 HydrophobicContact CZ-SD 3.75Å; F46-M50 WeakPolarHBondContact O-CG 3.26Å; F46-M50 PolarHBondContact O-N 2.8Å |
| 47 | F | 88.8 | Confident | 86.3 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.8 | -35.5 | 176.7 | -70.1 | -81.3 | 0 | 0 | 0 | 111.7 | F31 L39 G43 M50 T51 A58 A61 Y62 F65 | F31-F47 HydrophobicContact CE1-CB 3.88Å; F31-F47 HydrophobicContact CZ-CB 4.14Å; L39-F47 HydrophobicContact CD2-CD2 3.84Å; L39-F47 HydrophobicContact CD2-CE2 3.94Å; G43-F47 WeakPolarHBondContact O-CD2 3.32Å; G43-F47 PolarHBondContact O-N 2.92Å; F47-M50 PolarHBondContact O-N 2.81Å; F47-T51 WeakPolarHBondContact O-CG2 3.46Å; F47-T51 PolarHBondContact O-N 3.49Å; F47-T51 VanDerWaalsContact O-N 3.08Å; F47-T51 PolarHBondContact O-OG1 3.17Å; F47-T51 VanDerWaalsContact O-OG1 3.12Å; F47-A58 HydrophobicContact CB-CB 4.41Å; F47-A61 HydrophobicContact CD1-CB 4.45Å; F47-Y62 HydrophobicContact CE2-CD2 4.12Å; F47-Y62 HydrophobicContact CZ-CD2 4.36Å; F47-F65 HydrophobicContact CE1-CB 4.13Å; F47-F65 HydrophobicContact CE1-CD1 4.37Å; F47-F65 HydrophobicContact CE1-CG 4.19Å; F47-F65 HydrophobicContact CZ-CB 4.32Å; F47-F65 AromaticContact CZ-CD1 3.75Å; F47-F65 HydrophobicContact CZ-CD1 3.75Å; F47-F65 HydrophobicContact CZ-CE1 4.27Å; F47-F65 HydrophobicContact CZ-CG 4.03Å |
| 48 | L | 89.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 173.1 | -81.2 | 165.2 | 0 | 0 | 0 | 112.3 | L27 I28 F31 C44 F46 T51 N52 W53 L55 A58 | L27-L48 HydrophobicContact CB-CD1 4.11Å; L27-L48 HydrophobicContact CB-CD2 4.45Å; I28-L48 HydrophobicContact CB-CD1 4.47Å; I28-L48 HydrophobicContact CG1-CD1 3.81Å; F31-L48 HydrophobicContact CB-CD1 4.41Å; F31-L48 HydrophobicContact CD1-CD1 3.98Å; F31-L48 HydrophobicContact CD1-CG 3.96Å; F31-L48 HydrophobicContact CE1-CG 4.41Å; C44-L48 VanDerWaalsContact O-CB 3.32Å; C44-L48 WeakPolarHBondContact O-CB 3.24Å; C44-L48 WeakPolarHBondContact O-CD1 3.29Å; C44-L48 WeakPolarHBondContact O-CG 3.43Å; C44-L48 PolarHBondContact O-N 3.16Å; F46-L48 VanDerWaalsContact C-N 3.34Å; F46-L48 PolarHBondContact O-N 3.33Å; L48-T51 CarbonylContact O-C 3.56Å; L48-T51 PolarHBondContact O-N 3.1Å; L48-T51 PolarHBondContact O-OG1 2.92Å; L48-N52 PolarHBondContact O-N 3.36Å; L48-W53 HydrophobicContact CB-CD2 4.17Å; L48-W53 HydrophobicContact CB-CE3 3.95Å; L48-W53 HydrophobicContact CB-CH2 4.39Å; L48-W53 HydrophobicContact CB-CZ3 4.08Å; L48-W53 HydrophobicContact CD1-CE3 4.26Å; L48-W53 HydrophobicContact CD1-CZ3 4.07Å; L48-W53 WeakPolarHBondContact O-CA 3.09Å; L48-W53 PolarHBondContact O-N 2.89Å; L48-L55 HydrophobicContact CD2-CB 4.32Å; L48-L55 HydrophobicContact CD2-CD1 4.09Å; L48-A58 HydrophobicContact CD2-CB 3.81Å; L48-A58 HydrophobicContact CG-CB 4.04Å |
| 49 | D | 91.6 | Very high | 87.2 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.9 | -39.7 | 178.5 | -151.9 | 62.8 | 0 | 0 | 0 | 111.2 | K24 A45 F46 T51 N52 W53 | K24-D49 IonicContact NZ-OD1 3.99Å; A45-D49 WeakPolarHBondContact O-CB 3.2Å; A45-D49 PolarHBondContact O-N 2.94Å; F46-D49 PolarHBondContact O-N 2.99Å; D49-T51 VanDerWaalsContact C-N 3.26Å; D49-T51 PolarHBondContact O-N 3.01Å; D49-N52 PolarHBondContact O-N 2.87Å; D49-W53 HydrophobicContact CB-CZ2 4.21Å; D49-W53 PolarHBondContact OD1-NE1 3.49Å |
| 50 | M | 84.3 | Confident | 87.2 | Confident | 134 Ų | 134 | 54 Ų | 54 | 66% | 0.66 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.3 | -33.9 | 172.3 | -77.2 | -171.4 | 157.1 | 0 | 0 | 113.7 | F46 F47 | F46-M50 HydrophobicContact CD1-SD 4.33Å; F46-M50 HydrophobicContact CE1-CE 3.92Å; F46-M50 HydrophobicContact CE1-SD 3.71Å; F46-M50 HydrophobicContact CE2-CE 3.73Å; F46-M50 HydrophobicContact CE2-SD 4.36Å; F46-M50 HydrophobicContact CZ-CE 3.29Å; F46-M50 HydrophobicContact CZ-SD 3.75Å; F46-M50 WeakPolarHBondContact O-CG 3.26Å; F46-M50 PolarHBondContact O-N 2.8Å; F47-M50 PolarHBondContact O-N 2.81Å |
| 51 | T | 88.8 | Confident | 87 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 19.5 | -179 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | F47 L48 D49 W53 N54 A57 A58 A61 | F47-T51 WeakPolarHBondContact O-CG2 3.46Å; F47-T51 PolarHBondContact O-N 3.49Å; F47-T51 VanDerWaalsContact O-N 3.08Å; F47-T51 PolarHBondContact O-OG1 3.17Å; F47-T51 VanDerWaalsContact O-OG1 3.12Å; L48-T51 CarbonylContact O-C 3.56Å; L48-T51 PolarHBondContact O-N 3.1Å; L48-T51 PolarHBondContact O-OG1 2.92Å; D49-T51 VanDerWaalsContact C-N 3.26Å; D49-T51 PolarHBondContact O-N 3.01Å; T51-W53 VanDerWaalsContact C-N 3.28Å; T51-W53 PolarHBondContact O-N 2.89Å; T51-N54 WeakPolarHBondContact O-CB 3.03Å; T51-N54 PolarHBondContact O-N 3.42Å; T51-N54 PolarHBondContact OG1-O 3.07Å; T51-A57 HydrophobicContact CG2-CB 4.04Å; T51-A58 WeakPolarHBondContact OG1-CB 3.4Å; T51-A58 PolarHBondContact OG1-N 3.46Å; T51-A61 HydrophobicContact CG2-CB 4.02Å |
| 52 | N | 89.3 | Confident | 86.9 | Confident | 144 Ų | 144 | 47.7 Ų | 47.7 | 77% | 0.77 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 43.9 | 179.6 | -171.3 | 55.3 | 0 | 0 | 0 | 112.8 | L48 D49 N54 | L48-N52 PolarHBondContact O-N 3.36Å; D49-N52 PolarHBondContact O-N 2.87Å; N52-N54 PolarHBondContact O-N 2.84Å |
| 53 | W | 87.1 | Confident | 86.5 | Confident | 47 Ų | 47 | 50 Ų | 50 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 22.1 | 176.5 | -63.7 | 77.5 | 0 | 0 | 0 | 115.2 | K24 L27 I28 A45 L48 D49 T51 | K24-W53 HydrophobicContact CB-CE3 3.92Å; K24-W53 HydrophobicContact CB-CH2 3.99Å; K24-W53 HydrophobicContact CB-CZ3 3.48Å; K24-W53 VanDerWaalsContact CB-CZ3 3.48Å; K24-W53 HydrophobicContact CD-CD2 3.97Å; K24-W53 HydrophobicContact CD-CE3 3.96Å; K24-W53 HydrophobicContact CD-CH2 3.71Å; K24-W53 HydrophobicContact CD-CZ2 3.72Å; K24-W53 HydrophobicContact CD-CZ3 3.82Å; K24-W53 VanDerWaalsContact CE-CE2 3.4Å; K24-W53 HydrophobicContact CG-CD2 4.01Å; K24-W53 HydrophobicContact CG-CE3 3.61Å; K24-W53 HydrophobicContact CG-CH2 4.05Å; K24-W53 HydrophobicContact CG-CZ2 4.42Å; K24-W53 HydrophobicContact CG-CZ3 3.62Å; K24-W53 VanDerWaalsContact NZ-CZ2 3.32Å; L27-W53 HydrophobicContact CB-CE3 4.45Å; L27-W53 HydrophobicContact CD1-CB 4.33Å; L27-W53 HydrophobicContact CD1-CE3 4.23Å; I28-W53 HydrophobicContact CD1-CH2 4.06Å; I28-W53 HydrophobicContact CD1-CZ3 4.09Å; I28-W53 HydrophobicContact CG1-CH2 4.38Å; I28-W53 HydrophobicContact CG1-CZ3 4.06Å; A45-W53 HydrophobicContact CB-CH2 4.35Å; L48-W53 HydrophobicContact CB-CD2 4.17Å; L48-W53 HydrophobicContact CB-CE3 3.95Å; L48-W53 HydrophobicContact CB-CH2 4.39Å; L48-W53 HydrophobicContact CB-CZ3 4.08Å; L48-W53 HydrophobicContact CD1-CE3 4.26Å; L48-W53 HydrophobicContact CD1-CZ3 4.07Å; L48-W53 WeakPolarHBondContact O-CA 3.09Å; L48-W53 PolarHBondContact O-N 2.89Å; D49-W53 HydrophobicContact CB-CZ2 4.21Å; D49-W53 PolarHBondContact OD1-NE1 3.49Å; T51-W53 VanDerWaalsContact C-N 3.28Å; T51-W53 PolarHBondContact O-N 2.89Å |
| 54 | N | 86.9 | Confident | 85.9 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | trans | -87.8 | 110.6 | 171.2 | -179.5 | -30.6 | 0 | 0 | 0 | 110.3 | T51 N52 Q56 A57 A58 | T51-N54 WeakPolarHBondContact O-CB 3.03Å; T51-N54 PolarHBondContact O-N 3.42Å; T51-N54 PolarHBondContact OG1-O 3.07Å; N52-N54 PolarHBondContact O-N 2.84Å; N54-Q56 PolarHBondContact O-N 2.61Å; N54-Q56 PolarHBondContact OD1-N 2.71Å; N54-Q56 VanDerWaalsContact OD1-N 3.09Å; N54-A57 HydrophobicContact CB-CB 4Å; N54-A57 PolarHBondContact O-N 3.1Å; N54-A57 PolarHBondContact OD1-N 3.03Å; N54-A57 VanDerWaalsContact OD1-N 3.08Å; N54-A58 PolarHBondContact O-N 3.4Å | ||
| 55 | L | 85.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.9 | -35.3 | -176 | -175.3 | 52.1 | 0 | 0 | 0 | 113.7 | M19 L27 E30 F31 L34 L48 A57 A58 I59 | M19-L55 HydrophobicContact CE-CB 4.38Å; M19-L55 HydrophobicContact CE-CD2 3.78Å; M19-L55 HydrophobicContact CE-CG 4.32Å; M19-L55 HydrophobicContact SD-CB 3.76Å; M19-L55 HydrophobicContact SD-CD2 3.39Å; M19-L55 WeakPolarHBondContact SD-CD2 3.44Å; M19-L55 HydrophobicContact SD-CG 4.05Å; L27-L55 HydrophobicContact CD2-CB 4.14Å; E30-L55 HydrophobicContact CB-CD2 3.8Å; F31-L55 HydrophobicContact CB-CD1 3.37Å; F31-L55 HydrophobicContact CB-CD2 4.4Å; F31-L55 HydrophobicContact CD1-CD1 4.08Å; F31-L55 HydrophobicContact CD2-CD1 3.52Å; F31-L55 HydrophobicContact CE2-CD1 4.31Å; F31-L55 HydrophobicContact CG-CD1 3.39Å; L34-L55 HydrophobicContact CD1-CD2 3.91Å; L48-L55 HydrophobicContact CD2-CB 4.32Å; L48-L55 HydrophobicContact CD2-CD1 4.09Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 3.22Å; L55-A58 HydrophobicContact CD1-CB 4.3Å; L55-A58 PolarHBondContact O-N 2.78Å; L55-I59 HydrophobicContact CD1-CD1 3.83Å; L55-I59 HydrophobicContact CD1-CG1 3.9Å; L55-I59 HydrophobicContact CD2-CD1 4.39Å; L55-I59 HydrophobicContact CG-CD1 3.75Å; L55-I59 HydrophobicContact CG-CG1 4.32Å; L55-I59 WeakPolarHBondContact O-CB 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 3.02Å |
| 56 | Q | 84.6 | Confident | 84.2 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 175 | 175.9 | 66 | -63.9 | 0 | 0 | 110.5 | F16 N54 I59 G60 | F16-Q56 HydrophobicContact CD1-CB 4.25Å; F16-Q56 HydrophobicContact CE1-CB 3.8Å; F16-Q56 HydrophobicContact CE1-CG 4.5Å; F16-Q56 VanDerWaalsContact CE2-CD 3.44Å; F16-Q56 VanDerWaalsContact CE2-NE2 3.3Å; F16-Q56 HydrophobicContact CZ-CB 4.1Å; F16-Q56 VanDerWaalsContact CZ-CD 3.45Å; F16-Q56 HydrophobicContact CZ-CG 4.38Å; N54-Q56 PolarHBondContact O-N 2.61Å; N54-Q56 PolarHBondContact OD1-N 2.71Å; N54-Q56 VanDerWaalsContact OD1-N 3.09Å; Q56-I59 PolarHBondContact O-N 3.43Å; Q56-G60 PolarHBondContact O-N 3.25Å |
| 57 | A | 84 | Confident | 82.5 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T51 N54 L55 G60 A61 | T51-A57 HydrophobicContact CG2-CB 4.04Å; N54-A57 HydrophobicContact CB-CB 4Å; N54-A57 PolarHBondContact O-N 3.1Å; N54-A57 PolarHBondContact OD1-N 3.03Å; N54-A57 VanDerWaalsContact OD1-N 3.08Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 3.22Å; A57-G60 PolarHBondContact O-N 2.87Å; A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.36Å; A57-A61 PolarHBondContact O-N 2.97Å |
| 58 | A | 87.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.6 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F31 F47 L48 T51 N54 L55 Y62 | F31-A58 HydrophobicContact CD1-CB 4.46Å; F31-A58 HydrophobicContact CE1-CB 3.96Å; F31-A58 HydrophobicContact CE2-CB 4.49Å; F31-A58 HydrophobicContact CZ-CB 3.97Å; F31-A58 WeakPolarHBondContact CZ-O 3.5Å; F47-A58 HydrophobicContact CB-CB 4.41Å; L48-A58 HydrophobicContact CD2-CB 3.81Å; L48-A58 HydrophobicContact CG-CB 4.04Å; T51-A58 WeakPolarHBondContact OG1-CB 3.4Å; T51-A58 PolarHBondContact OG1-N 3.46Å; N54-A58 PolarHBondContact O-N 3.4Å; L55-A58 HydrophobicContact CD1-CB 4.3Å; L55-A58 PolarHBondContact O-N 2.78Å; A58-Y62 VanDerWaalsContact O-CB 3.28Å; A58-Y62 WeakPolarHBondContact O-CB 3.21Å; A58-Y62 PolarHBondContact O-N 2.7Å |
| 59 | I | 84.6 | Confident | 79 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 174.6 | -72.2 | 165.7 | 0 | 0 | 0 | 110.7 | F16 F31 L34 L55 Q56 Y62 Y63 | F16-I59 HydrophobicContact CE1-CD1 3.94Å; F16-I59 HydrophobicContact CZ-CD1 3.7Å; F31-I59 HydrophobicContact CD2-CD1 4.36Å; F31-I59 HydrophobicContact CD2-CG1 3.61Å; F31-I59 HydrophobicContact CE2-CB 4.38Å; F31-I59 HydrophobicContact CE2-CG1 3.52Å; L34-I59 HydrophobicContact CB-CD1 4.08Å; L34-I59 HydrophobicContact CD1-CD1 3.52Å; L34-I59 HydrophobicContact CG-CD1 4.4Å; L55-I59 HydrophobicContact CD1-CD1 3.83Å; L55-I59 HydrophobicContact CD1-CG1 3.9Å; L55-I59 HydrophobicContact CD2-CD1 4.39Å; L55-I59 HydrophobicContact CG-CD1 3.75Å; L55-I59 HydrophobicContact CG-CG1 4.32Å; L55-I59 WeakPolarHBondContact O-CB 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 3.02Å; Q56-I59 PolarHBondContact O-N 3.43Å; I59-Y62 PolarHBondContact O-N 3.06Å; I59-Y63 HydrophobicContact CG2-CD2 3.74Å; I59-Y63 HydrophobicContact CG2-CE2 3.74Å; I59-Y63 WeakPolarHBondContact O-CD2 3.5Å; I59-Y63 PolarHBondContact O-N 2.82Å |
| 60 | G | 81.8 | Confident | 77.3 | Confident | 28 Ų | 28 | 71.1 Ų | 71.1 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.4 | -57.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q56 A57 Y62 Y63 D64 | Q56-G60 PolarHBondContact O-N 3.25Å; A57-G60 PolarHBondContact O-N 2.87Å; G60-Y62 PolarHBondContact O-N 2.89Å; G60-Y63 CarbonylContact O-C 3.56Å; G60-Y63 PolarHBondContact O-N 2.59Å; G60-D64 WeakPolarHBondContact O-CB 3.47Å; G60-D64 VanDerWaalsContact O-CG 3.24Å; G60-D64 PolarHBondContact O-N 3.04Å |
| 61 | A | 83.4 | Confident | 76.5 | Confident | 35 Ų | 35 | 68 Ų | 68 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.6 | -28.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F47 T51 A57 F65 | F47-A61 HydrophobicContact CD1-CB 4.45Å; T51-A61 HydrophobicContact CG2-CB 4.02Å; A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.36Å; A57-A61 PolarHBondContact O-N 2.97Å; A61-F65 VanDerWaalsContact O-CB 3.3Å; A61-F65 WeakPolarHBondContact O-CB 3.14Å; A61-F65 PolarHBondContact O-N 2.91Å |
| 62 | Y | 85.1 | Confident | 76.1 | Confident | 1 Ų | 1 | 71 Ų | 71 | 0% | 0.004 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.8 | -46.1 | 171.3 | 166.4 | -98.7 | 0 | 0 | 0 | 112 | F31 L35 L39 F47 A58 I59 G60 D64 F65 E66 | F31-Y62 HydrophobicContact CZ-CG 4.48Å; L35-Y62 HydrophobicContact CD1-CD1 3.58Å; L35-Y62 HydrophobicContact CD1-CD2 3.88Å; L35-Y62 HydrophobicContact CD1-CE1 3.53Å; L35-Y62 HydrophobicContact CD1-CE2 3.86Å; L35-Y62 HydrophobicContact CD1-CG 3.72Å; L35-Y62 HydrophobicContact CD2-CD1 3.4Å; L35-Y62 HydrophobicContact CD2-CE1 3.36Å; L35-Y62 HydrophobicContact CD2-CG 4.31Å; L35-Y62 HydrophobicContact CG-CD1 4.1Å; L35-Y62 HydrophobicContact CG-CE1 3.94Å; L39-Y62 HydrophobicContact CD1-CD2 4.49Å; L39-Y62 HydrophobicContact CD1-CE2 4.03Å; L39-Y62 HydrophobicContact CD2-CD2 4.44Å; F47-Y62 HydrophobicContact CE2-CD2 4.12Å; F47-Y62 HydrophobicContact CZ-CD2 4.36Å; A58-Y62 VanDerWaalsContact O-CB 3.28Å; A58-Y62 WeakPolarHBondContact O-CB 3.21Å; A58-Y62 PolarHBondContact O-N 2.7Å; I59-Y62 PolarHBondContact O-N 3.06Å; G60-Y62 PolarHBondContact O-N 2.89Å; Y62-D64 VanDerWaalsContact C-N 3.33Å; Y62-D64 PolarHBondContact O-N 3.46Å; Y62-F65 CarbonylContact O-C 3.6Å; Y62-F65 PolarHBondContact O-N 2.82Å; Y62-F65 VanDerWaalsContact O-N 3.11Å; Y62-E66 HydrophobicContact CD2-CB 4.28Å; Y62-E66 HydrophobicContact CE2-CB 3.84Å; Y62-E66 HydrophobicContact CE2-CG 4.21Å; Y62-E66 WeakPolarHBondContact CE2-OE2 3.38Å; Y62-E66 VanDerWaalsContact CZ-CD 3.48Å; Y62-E66 WeakPolarHBondContact O-CB 3.47Å; Y62-E66 PolarHBondContact O-N 3.49Å; Y62-E66 PolarHBondContact OH-OE1 3.38Å; Y62-E66 PolarHBondContact OH-OE2 3.09Å |
| 63 | Y | 78.9 | Confident | 76.2 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 48% | 0.478 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71 | -27.6 | 176.3 | -75.6 | -60.1 | 0 | 0 | 0 | 112.9 | L35 I59 G60 F65 S67 | L35-Y63 HydrophobicContact CD2-CE2 4.11Å; I59-Y63 HydrophobicContact CG2-CD2 3.74Å; I59-Y63 HydrophobicContact CG2-CE2 3.74Å; I59-Y63 WeakPolarHBondContact O-CD2 3.5Å; I59-Y63 PolarHBondContact O-N 2.82Å; G60-Y63 CarbonylContact O-C 3.56Å; G60-Y63 PolarHBondContact O-N 2.59Å; Y63-F65 PolarHBondContact O-N 2.8Å; Y63-S67 WeakPolarHBondContact O-CB 3.35Å; Y63-S67 PolarHBondContact O-N 2.87Å; Y63-S67 PolarHBondContact O-OG 2.69Å |
| 64 | D | 73.8 | Confident | 76.6 | Confident | 134 Ų | 134 | 64.9 Ų | 64.9 | 72% | 0.717 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.6 | -18.8 | 169.4 | -66.9 | -31.3 | 0 | 0 | 0 | 112.7 | G60 Y62 | G60-D64 WeakPolarHBondContact O-CB 3.47Å; G60-D64 VanDerWaalsContact O-CG 3.24Å; G60-D64 PolarHBondContact O-N 3.04Å; Y62-D64 VanDerWaalsContact C-N 3.33Å; Y62-D64 PolarHBondContact O-N 3.46Å |
| 65 | F | 73.7 | Confident | 77.1 | Confident | 149 Ų | 149 | 60.8 Ų | 60.8 | 65% | 0.654 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -102.7 | -36.8 | 179.3 | 174.5 | -90.5 | 0 | 0 | 0 | 113.7 | F47 A61 Y62 Y63 S67 | F47-F65 HydrophobicContact CE1-CB 4.13Å; F47-F65 HydrophobicContact CE1-CD1 4.37Å; F47-F65 HydrophobicContact CE1-CG 4.19Å; F47-F65 HydrophobicContact CZ-CB 4.32Å; F47-F65 AromaticContact CZ-CD1 3.75Å; F47-F65 HydrophobicContact CZ-CD1 3.75Å; F47-F65 HydrophobicContact CZ-CE1 4.27Å; F47-F65 HydrophobicContact CZ-CG 4.03Å; A61-F65 VanDerWaalsContact O-CB 3.3Å; A61-F65 WeakPolarHBondContact O-CB 3.14Å; A61-F65 PolarHBondContact O-N 2.91Å; Y62-F65 CarbonylContact O-C 3.6Å; Y62-F65 PolarHBondContact O-N 2.82Å; Y62-F65 VanDerWaalsContact O-N 3.11Å; Y63-F65 PolarHBondContact O-N 2.8Å; F65-S67 CarbonylContact C-O 3.59Å |
| 66 | E | 67 | Low | 77.7 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -106 | -7.3 | -176.1 | -146.8 | -157.2 | 85.4 | 0 | 0 | 113.6 | Y62 P68 | Y62-E66 HydrophobicContact CD2-CB 4.28Å; Y62-E66 HydrophobicContact CE2-CB 3.84Å; Y62-E66 HydrophobicContact CE2-CG 4.21Å; Y62-E66 WeakPolarHBondContact CE2-OE2 3.38Å; Y62-E66 VanDerWaalsContact CZ-CD 3.48Å; Y62-E66 WeakPolarHBondContact O-CB 3.47Å; Y62-E66 PolarHBondContact O-N 3.49Å; Y62-E66 PolarHBondContact OH-OE1 3.38Å; Y62-E66 PolarHBondContact OH-OE2 3.09Å; E66-P68 VanDerWaalsContact O-CD 3.29Å; E66-P68 WeakPolarHBondContact O-CD 3.33Å |
| 67 | S | 56.1 | Low | 78.3 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -59.2 | 124.2 | 140.4 | 63.7 | 0 | 0 | 0 | 0 | 105.7 | Y63 F65 S69 | Y63-S67 WeakPolarHBondContact O-CB 3.35Å; Y63-S67 PolarHBondContact O-N 2.87Å; Y63-S67 PolarHBondContact O-OG 2.69Å; F65-S67 CarbonylContact C-O 3.59Å; S67-S69 PolarHBondContact O-N 2.89Å; S67-S69 VanDerWaalsContact O-N 3.16Å |
| 68 | P | 50.5 | Low | 79 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 68% | 0.675 | 35% | 0.354 | S | S | * | . | trans | -54.2 | 129 | 153.4 | -10.3 | 25.2 | 0 | 0 | 0 | 103.8 | E66 V70 | E66-P68 VanDerWaalsContact O-CD 3.29Å; E66-P68 WeakPolarHBondContact O-CD 3.33Å; P68-V70 PolarHBondContact O-N 2.78Å | ||
| 69 | S | 53.4 | Low | 79.4 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | trans | -46.6 | 113.6 | 162.1 | 50 | 0 | 0 | 0 | 0 | 105.3 | S67 N71 | S67-S69 PolarHBondContact O-N 2.89Å; S67-S69 VanDerWaalsContact O-N 3.16Å; S69-N71 WeakPolarHBondContact O-CA 3.5Å; S69-N71 WeakPolarHBondContact O-CB 3.32Å; S69-N71 PolarHBondContact O-N 2.81Å | ||
| 70 | V | 55.8 | Low | 80 | Confident | 119 Ų | 119 | 68.5 Ų | 68.5 | 72% | 0.721 | 39% | 0.385 | S | S | * | . | trans | -72.3 | 81.8 | -178.9 | 176.2 | 0 | 0 | 0 | 0 | 104.1 | P68 T72 | P68-V70 PolarHBondContact O-N 2.78Å; V70-T72 WeakPolarHBondContact O-CA 3.24Å; V70-T72 PolarHBondContact O-N 2.82Å; V70-T72 PolarHBondContact O-OG1 2.87Å | ||
| 71 | N | 68.3 | Low | 80.7 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | trans | -79.5 | 77.7 | -154.4 | -148 | -16.9 | 0 | 0 | 0 | 106.2 | S69 P73 E107 | S69-N71 WeakPolarHBondContact O-CA 3.5Å; S69-N71 WeakPolarHBondContact O-CB 3.32Å; S69-N71 PolarHBondContact O-N 2.81Å; N71-P73 WeakPolarHBondContact O-CD 3.45Å; N71-E107 PolarHBondContact ND2-OE1 2.9Å | ||
| 72 | T | 80.3 | Confident | 81.1 | Confident | 92 Ų | 92 | 70.5 Ų | 70.5 | 56% | 0.564 | 39% | 0.388 | S | S | * | . | trans | -63.6 | 113.2 | -153.8 | -70.1 | 0 | 0 | 0 | 0 | 105.6 | V70 S74 | V70-T72 WeakPolarHBondContact O-CA 3.24Å; V70-T72 PolarHBondContact O-N 2.82Å; V70-T72 PolarHBondContact O-OG1 2.87Å; T72-S74 PolarHBondContact O-N 2.8Å | ||
| 73 | P | 91.9 | Very high | 81.2 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 13% | 0.13 | 39% | 0.389 | C | S | . | . | trans | -56.2 | 130.7 | -162.6 | 17.3 | -30.4 | 0 | 0 | 0 | 108.5 | N71 W109 P110 T163 Y169 | N71-P73 WeakPolarHBondContact O-CD 3.45Å; P73-W109 HydrophobicContact CB-CG 4.21Å; P73-P110 HydrophobicContact CG-CG 4.35Å; P73-T163 HydrophobicContact CG-CG2 4.06Å; P73-Y169 HydrophobicContact CB-CD2 4.01Å; P73-Y169 HydrophobicContact CB-CE1 4.36Å; P73-Y169 HydrophobicContact CB-CE2 3.75Å; P73-Y169 HydrophobicContact CB-CG 4.35Å; P73-Y169 HydrophobicContact CG-CD1 3.75Å; P73-Y169 HydrophobicContact CG-CD2 4.01Å; P73-Y169 HydrophobicContact CG-CE1 3.78Å; P73-Y169 HydrophobicContact CG-CE2 4Å; P73-Y169 HydrophobicContact CG-CG 3.82Å; P73-Y169 VanDerWaalsContact O-CB 3.3Å; P73-Y169 WeakPolarHBondContact O-CB 3.49Å; P73-Y169 WeakPolarHBondContact O-CD2 3.44Å; P73-Y169 VanDerWaalsContact O-CG 3.31Å | ||
| 74 | S | 95.3 | Very high | 81.3 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | trans | -99.3 | 132.8 | -178.4 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | T72 N103 T104 W109 | T72-S74 PolarHBondContact O-N 2.8Å; S74-N103 WeakPolarHBondContact O-CA 3.3Å; S74-N103 PolarHBondContact O-OD1 3.21Å; S74-N103 VanDerWaalsContact O-OD1 3.11Å; S74-T104 WeakPolarHBondContact CB-OG1 3.29Å; S74-T104 PolarHBondContact O-N 3.06Å; S74-T104 PolarHBondContact OG-OG1 2.9Å; S74-W109 PolarHBondContact O-NE1 2.81Å | ||
| 75 | M | 97.8 | Very high | 81.2 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.1 | 172.5 | -178 | -77.3 | -68.2 | 0 | 0 | 107.5 | I101 Q102 W109 M161 Y169 G170 D171 I173 | M75-I101 HydrophobicContact CG-CB 3.92Å; M75-I101 HydrophobicContact CG-CD1 4.09Å; M75-I101 HydrophobicContact CG-CG1 4.42Å; M75-I101 HydrophobicContact CG-CG2 4.38Å; M75-I101 HydrophobicContact SD-CB 3.75Å; M75-I101 HydrophobicContact SD-CG2 3.66Å; M75-Q102 WeakPolarHBondContact CA-O 3.3Å; M75-W109 HydrophobicContact CB-CH2 3.95Å; M75-W109 HydrophobicContact CB-CZ2 3.48Å; M75-W109 VanDerWaalsContact CB-CZ2 3.48Å; M75-W109 HydrophobicContact CG-CH2 3.59Å; M75-W109 HydrophobicContact CG-CZ2 3.62Å; M75-M161 HydrophobicContact CB-CG 3.96Å; M75-M161 HydrophobicContact CE-CG 3.74Å; M75-M161 HydrophobicContact CG-CG 3.78Å; M75-Y169 HydrophobicContact CB-CD2 4.15Å; M75-Y169 HydrophobicContact CB-CE2 3.94Å; M75-G170 CarbonylContact O-C 3.5Å; M75-G170 WeakPolarHBondContact O-CA 3.44Å; M75-D171 HydrophobicContact CE-CB 4.18Å; M75-D171 WeakPolarHBondContact CE-O 3.3Å; M75-D171 PolarHBondContact O-N 2.89Å; M75-I173 HydrophobicContact CE-CG2 4.06Å |
| 76 | S | 98.1 | Very high | 80.9 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 144.8 | 166.5 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | I101 Q102 T104 D171 | S76-I101 WeakPolarHBondContact O-CA 3.26Å; S76-Q102 PolarHBondContact N-O 2.89Å; S76-Q102 PolarHBondContact O-N 2.92Å; S76-T104 WeakPolarHBondContact OG-CG2 3.25Å; S76-D171 VanDerWaalsContact CA-OD2 3.23Å; S76-D171 WeakPolarHBondContact CA-OD2 3.12Å |
| 77 | F | 98.2 | Very high | 81.7 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 145 | 165.1 | -179.5 | -124.8 | 0 | 0 | 0 | 110.5 | E79 D80 W99 D171 I173 | F77-E79 VanDerWaalsContact CE2-O 3.32Å; F77-E79 WeakPolarHBondContact CE2-O 3.46Å; F77-D80 HydrophobicContact CZ-CB 4.48Å; F77-W99 HydrophobicContact CE2-CB 4.31Å; F77-W99 AromaticContact CE2-CD1 3.83Å; F77-W99 HydrophobicContact CE2-CG 4.49Å; F77-D171 PolarHBondContact N-OD2 2.88Å; F77-I173 HydrophobicContact CB-CG2 3.89Å; F77-I173 HydrophobicContact CD2-CG2 4Å; F77-I173 HydrophobicContact CG-CG2 4.17Å |
| 78 | V | 97.9 | Very high | 83.4 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -60 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | R100 Q102 | V78-R100 HydrophobicContact CB-CB 4.09Å; V78-R100 HydrophobicContact CB-CG 3.9Å; V78-R100 WeakPolarHBondContact CB-O 3.4Å; V78-R100 HydrophobicContact CG1-CG 4.13Å; V78-R100 HydrophobicContact CG2-CG 4.31Å; V78-R100 PolarHBondContact N-O 2.86Å; V78-Q102 HydrophobicContact CG2-CB 3.86Å |
| 79 | E | 96.7 | Very high | 85.5 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 159.7 | -179.7 | 61.6 | -173.7 | 156.4 | 0 | 0 | 112.1 | F77 R100 | F77-E79 VanDerWaalsContact CE2-O 3.32Å; F77-E79 WeakPolarHBondContact CE2-O 3.46Å; E79-R100 HydrophobicContact CG-CB 3.79Å; E79-R100 HydrophobicContact CG-CG 4.45Å; E79-R100 PolarHBondContact O-N 2.93Å; E79-R100 WeakPolarHBondContact OE1-CD 3.36Å; E79-R100 IonicContact OE1-CZ 2.59Å; E79-R100 IonicContact OE1-NE 2.8Å; E79-R100 IonicContact OE1-NH1 2.69Å; E79-R100 PolarHBondContact OE1-NH1 3.01Å |
| 80 | D | 96.4 | Very high | 87.4 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 111.2 | 167.2 | -77.5 | -50.2 | 0 | 0 | 0 | 109.8 | F77 T82 K97 | F77-D80 HydrophobicContact CZ-CB 4.48Å; D80-T82 VanDerWaalsContact C-N 3.25Å; D80-T82 PolarHBondContact O-N 2.89Å; D80-K97 VanDerWaalsContact OD1-CE 3.24Å; D80-K97 WeakPolarHBondContact OD1-CE 3.15Å; D80-K97 IonicContact OD1-NZ 3.8Å; D80-K97 PolarHBondContact OD1-NZ 2.66Å; D80-K97 IonicContact OD2-NZ 3.94Å |
| 81 | V | 95.9 | Very high | 89.3 | Confident | 55 Ų | 55 | 50 Ų | 50 | 33% | 0.333 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -76.3 | -19.4 | 180 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | T98 R100 | V81-T98 HydrophobicContact CB-CG2 3.98Å; V81-T98 HydrophobicContact CG1-CG2 4.32Å; V81-T98 HydrophobicContact CG2-CG2 4.36Å; V81-T98 PolarHBondContact N-O 3.31Å; V81-R100 HydrophobicContact CG2-CB 3.71Å |
| 82 | T | 92.3 | Very high | 90.6 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 30% | 0.301 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -154.6 | 149.8 | 179.8 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | D80 T96 K97 T98 | D80-T82 VanDerWaalsContact C-N 3.25Å; D80-T82 PolarHBondContact O-N 2.89Å; T82-T96 PolarHBondContact OG1-O 2.9Å; T82-K97 WeakPolarHBondContact O-CD 3.32Å; T82-K97 PolarHBondContact O-NZ 2.85Å; T82-T98 PolarHBondContact N-O 2.91Å; T82-T98 WeakPolarHBondContact OG1-CA 3.39Å; T82-T98 VanDerWaalsContact OG1-CB 3.27Å; T82-T98 WeakPolarHBondContact OG1-CB 3.46Å; T82-T98 PolarHBondContact OG1-N 3.27Å; T82-T98 PolarHBondContact OG1-O 2.86Å; T82-T98 PolarHBondContact OG1-OG1 3.22Å |
| 83 | I | 86.6 | Confident | 91.2 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 55.9 | 57.4 | 178.8 | -39.5 | -57.7 | 0 | 0 | 0 | 110.8 | E87 V89 F95 K97 L177 L185 | I83-E87 VanDerWaalsContact CA-CD 3.45Å; I83-E87 WeakPolarHBondContact CA-OE1 3.24Å; I83-E87 HydrophobicContact CG2-CB 4.34Å; I83-E87 PolarHBondContact N-OE1 2.88Å; I83-V89 HydrophobicContact CD1-CG2 4.4Å; I83-V89 HydrophobicContact CG2-CG2 4.45Å; I83-F95 HydrophobicContact CD1-CD2 4.45Å; I83-F95 HydrophobicContact CG1-CD2 3.87Å; I83-F95 HydrophobicContact CG1-CE2 4.31Å; I83-K97 HydrophobicContact CB-CD 4.04Å; I83-K97 PolarHBondContact O-NZ 2.81Å; I83-L177 HydrophobicContact CG2-CD1 3.75Å; I83-L185 HydrophobicContact CD1-CD1 3.83Å; I83-L185 HydrophobicContact CD1-CD2 4.08Å |
| 84 | G | 81.3 | Confident | 91.3 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | trans | -73.2 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G86 E87 | G84-G86 PolarHBondContact O-N 2.92Å; G84-E87 PolarHBondContact N-OE1 2.83Å; G84-E87 PolarHBondContact O-N 2.94Å; G84-E87 VanDerWaalsContact O-N 3.13Å | ||
| 85 | E | 72.6 | Confident | 91.2 | Very high | 177 Ų | 177 | 49 Ų | 49 | 83% | 0.827 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 121.7 | 177.6 | -64.7 | -167.1 | 158.9 | 0 | 0 | 111.6 | ||
| 86 | G | 66.9 | Low | 91.1 | Very high | 82 Ų | 82 | 52 Ų | 52 | 85% | 0.845 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -2.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G84 S88 | G84-G86 PolarHBondContact O-N 2.92Å; G86-S88 PolarHBondContact O-N 2.89Å |
| 87 | E | 84.6 | Confident | 91 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | trans | -71.9 | 126.2 | 167.9 | -75.7 | -173.1 | -116.8 | 0 | 0 | 111 | I83 G84 | I83-E87 VanDerWaalsContact CA-CD 3.45Å; I83-E87 WeakPolarHBondContact CA-OE1 3.24Å; I83-E87 HydrophobicContact CG2-CB 4.34Å; I83-E87 PolarHBondContact N-OE1 2.88Å; G84-E87 PolarHBondContact N-OE1 2.83Å; G84-E87 PolarHBondContact O-N 2.94Å; G84-E87 VanDerWaalsContact O-N 3.13Å | ||
| 88 | S | 91 | Very high | 91 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 143.2 | 173.9 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | G86 S178 E180 G183 L184 L185 | G86-S88 PolarHBondContact O-N 2.89Å; S88-S178 CarbonylContact C-O 3.49Å; S88-S178 VanDerWaalsContact CA-O 3.29Å; S88-S178 WeakPolarHBondContact CA-O 3.49Å; S88-E180 WeakPolarHBondContact CB-OE2 3.29Å; S88-E180 PolarHBondContact OG-OE2 3.47Å; S88-G183 CarbonylContact O-C 3.51Å; S88-G183 VanDerWaalsContact O-C 3.27Å; S88-G183 VanDerWaalsContact OG-CA 3.24Å; S88-G183 WeakPolarHBondContact OG-CA 3.47Å; S88-L184 PolarHBondContact O-N 2.89Å; S88-L184 PolarHBondContact OG-N 2.93Å; S88-L185 PolarHBondContact O-N 2.9Å; S88-L185 VanDerWaalsContact O-N 3.16Å |
| 89 | V | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.1 | -173.8 | 178.9 | 0 | 0 | 0 | 0 | 109 | I83 T93 F95 L177 S178 V179 E180 L185 | I83-V89 HydrophobicContact CD1-CG2 4.4Å; I83-V89 HydrophobicContact CG2-CG2 4.45Å; V89-T93 HydrophobicContact CG1-CG2 4.15Å; V89-F95 HydrophobicContact CG1-CD1 4.29Å; V89-L177 HydrophobicContact CB-CD1 3.96Å; V89-L177 HydrophobicContact CG2-CD1 3.56Å; V89-S178 PolarHBondContact N-O 2.85Å; V89-V179 WeakPolarHBondContact O-CA 3.31Å; V89-E180 PolarHBondContact O-N 2.85Å; V89-E180 VanDerWaalsContact O-N 3.07Å; V89-L185 HydrophobicContact CB-CB 4.45Å; V89-L185 HydrophobicContact CB-CD2 4.48Å; V89-L185 HydrophobicContact CG1-CB 4.43Å; V89-L185 HydrophobicContact CG1-CD2 3.86Å; V89-L185 HydrophobicContact CG2-CB 3.91Å; V89-L185 HydrophobicContact CG2-CD2 3.85Å; V89-L185 HydrophobicContact CG2-CG 4.48Å |
| 90 | P | 94.5 | Very high | 91.1 | Very high | 23 Ų | 23 | 44 Ų | 44 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | trans | -62.3 | 157.8 | 175.9 | -16.9 | 28.3 | 0 | 0 | 0 | 112.3 | T93 S148 E180 | P90-T93 WeakPolarHBondContact O-CB 3.27Å; P90-T93 PolarHBondContact O-OG1 3.18Å; P90-S148 WeakPolarHBondContact O-CB 3.46Å; P90-S148 PolarHBondContact O-OG 2.94Å; P90-E180 WeakPolarHBondContact CA-O 3.19Å | ||
| 91 | P | 95.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 20% | 0.201 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 155.5 | 173 | -23 | 31.9 | 0 | 0 | 0 | 113.2 | T93 P149 P152 V179 V181 | P91-T93 PolarHBondContact O-N 3.19Å; P91-T93 PolarHBondContact O-OG1 3.37Å; P91-P149 VanDerWaalsContact CA-O 3.27Å; P91-P149 WeakPolarHBondContact CA-O 3.37Å; P91-P152 HydrophobicContact CG-CG 4.41Å; P91-V179 HydrophobicContact CB-CG1 4.1Å; P91-V179 HydrophobicContact CG-CG1 3.88Å; P91-V181 HydrophobicContact CG-CG2 4.21Å |
| 92 | D | 94.7 | Very high | 91.3 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 14.2 | 167.9 | -137.1 | 51.5 | 0 | 0 | 0 | 115.4 | R147 S148 P149 T150 | D92-R147 VanDerWaalsContact CG-CZ 3.42Å; D92-R147 PolarHBondContact O-NE 2.97Å; D92-R147 PolarHBondContact O-NH2 3.38Å; D92-R147 IonicContact OD1-CZ 3.44Å; D92-R147 IonicContact OD1-NH1 2.77Å; D92-R147 PolarHBondContact OD1-NH1 3.32Å; D92-R147 IonicContact OD1-NH2 3.58Å; D92-R147 IonicContact OD2-CZ 3.32Å; D92-R147 IonicContact OD2-NH1 3.24Å; D92-R147 PolarHBondContact OD2-NH1 3.32Å; D92-R147 IonicContact OD2-NH2 2.65Å; D92-R147 PolarHBondContact OD2-NH2 3.48Å; D92-S148 WeakPolarHBondContact CA-O 3.45Å; D92-S148 PolarHBondContact N-O 2.98Å; D92-S148 PolarHBondContact N-OG 2.67Å; D92-P149 PolarHBondContact N-O 2.96Å; D92-P149 VanDerWaalsContact N-O 3.1Å; D92-T150 HydrophobicContact CB-CG2 4.29Å; D92-T150 PolarHBondContact OD1-OG1 3.13Å |
| 93 | T | 93.6 | Very high | 91.6 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | trans | -96.8 | 139.1 | -166.6 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | V89 P90 P91 R147 S148 | V89-T93 HydrophobicContact CG1-CG2 4.15Å; P90-T93 WeakPolarHBondContact O-CB 3.27Å; P90-T93 PolarHBondContact O-OG1 3.18Å; P91-T93 PolarHBondContact O-N 3.19Å; P91-T93 PolarHBondContact O-OG1 3.37Å; T93-R147 CarbonylContact O-C 3.57Å; T93-R147 VanDerWaalsContact O-CA 3.31Å; T93-R147 WeakPolarHBondContact O-CA 3.45Å; T93-S148 PolarHBondContact N-OG 2.57Å; T93-S148 PolarHBondContact O-N 2.88Å; T93-S148 PolarHBondContact O-OG 2.97Å | ||
| 94 | L | 94.3 | Very high | 92 | Very high | 101 Ų | 101 | 40.6 Ų | 40.6 | 53% | 0.529 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 132.2 | 174.1 | -68.3 | 172.2 | 0 | 0 | 0 | 110.9 | M146 R147 | L94-M146 WeakPolarHBondContact CA-O 3.42Å; L94-R147 HydrophobicContact CD2-CB 3.98Å; L94-R147 HydrophobicContact CD2-CG 3.93Å |
| 95 | F | 93.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 167.5 | 176 | 67.6 | -86.5 | 0 | 0 | 0 | 110.8 | I83 V89 K97 F123 M146 L177 L185 | I83-F95 HydrophobicContact CD1-CD2 4.45Å; I83-F95 HydrophobicContact CG1-CD2 3.87Å; I83-F95 HydrophobicContact CG1-CE2 4.31Å; V89-F95 HydrophobicContact CG1-CD1 4.29Å; F95-K97 HydrophobicContact CD2-CB 4.48Å; F95-K97 HydrophobicContact CE2-CB 4.12Å; F95-F123 HydrophobicContact CZ-CB 4.46Å; F95-F123 HydrophobicContact CZ-CD1 4.37Å; F95-F123 HydrophobicContact CZ-CG 4.48Å; F95-M146 HydrophobicContact CD1-CB 4.19Å; F95-M146 HydrophobicContact CD2-CB 4.07Å; F95-M146 HydrophobicContact CE1-CB 3.8Å; F95-M146 HydrophobicContact CE2-CB 3.69Å; F95-M146 HydrophobicContact CE2-CG 4.32Å; F95-M146 HydrophobicContact CE2-SD 3.96Å; F95-M146 HydrophobicContact CG-CB 4.32Å; F95-M146 HydrophobicContact CZ-CB 3.54Å; F95-M146 HydrophobicContact CZ-CG 4.38Å; F95-M146 HydrophobicContact CZ-SD 4.04Å; F95-M146 PolarHBondContact N-O 2.92Å; F95-M146 PolarHBondContact O-N 3.14Å; F95-M146 VanDerWaalsContact O-O 3.1Å; F95-L177 HydrophobicContact CE1-CD1 4.47Å; F95-L177 HydrophobicContact CE1-CD2 3.97Å; F95-L177 HydrophobicContact CZ-CD1 4.12Å; F95-L177 HydrophobicContact CZ-CD2 4Å; F95-L185 HydrophobicContact CB-CD2 3.58Å |
| 96 | T | 95 | Very high | 93.5 | Very high | 66 Ų | 66 | 35.1 Ų | 35.1 | 41% | 0.405 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.6 | 172.3 | -59.4 | 0 | 0 | 0 | 0 | 108 | T82 V144 | T82-T96 PolarHBondContact OG1-O 2.9Å; T96-V144 WeakPolarHBondContact CA-O 3.45Å |
| 97 | K | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 129.8 | 170.3 | -178.6 | 64 | -178.2 | 170.7 | 0 | 108.5 | D80 T82 I83 F95 W99 S143 V144 M146 V175 | D80-K97 VanDerWaalsContact OD1-CE 3.24Å; D80-K97 WeakPolarHBondContact OD1-CE 3.15Å; D80-K97 IonicContact OD1-NZ 3.8Å; D80-K97 PolarHBondContact OD1-NZ 2.66Å; D80-K97 IonicContact OD2-NZ 3.94Å; T82-K97 WeakPolarHBondContact O-CD 3.32Å; T82-K97 PolarHBondContact O-NZ 2.85Å; I83-K97 HydrophobicContact CB-CD 4.04Å; I83-K97 PolarHBondContact O-NZ 2.81Å; F95-K97 HydrophobicContact CD2-CB 4.48Å; F95-K97 HydrophobicContact CE2-CB 4.12Å; K97-W99 HydrophobicContact CB-CH2 4.4Å; K97-W99 HydrophobicContact CD-CZ2 4.47Å; K97-W99 VanDerWaalsContact CE-NE1 3.28Å; K97-W99 HydrophobicContact CG-CD2 4.06Å; K97-W99 HydrophobicContact CG-CE3 4.2Å; K97-W99 HydrophobicContact CG-CH2 3.74Å; K97-W99 HydrophobicContact CG-CZ2 3.53Å; K97-W99 HydrophobicContact CG-CZ3 4.04Å; K97-S143 CarbonylContact O-C 3.52Å; K97-S143 WeakPolarHBondContact O-CA 3.41Å; K97-V144 PolarHBondContact N-O 3.41Å; K97-V144 PolarHBondContact O-N 2.96Å; K97-M146 HydrophobicContact CB-CE 3.98Å; K97-M146 HydrophobicContact CB-CG 4.5Å; K97-M146 HydrophobicContact CB-SD 3.77Å; K97-M146 HydrophobicContact CG-CE 4.43Å; K97-M146 HydrophobicContact CG-SD 4.5Å; K97-V175 HydrophobicContact CG-CG2 4.36Å |
| 98 | T | 97.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 36 Ų | 36 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124.6 | 179 | -51.7 | 0 | 0 | 0 | 0 | 109.6 | V81 T82 D141 V142 S143 | V81-T98 HydrophobicContact CB-CG2 3.98Å; V81-T98 HydrophobicContact CG1-CG2 4.32Å; V81-T98 HydrophobicContact CG2-CG2 4.36Å; V81-T98 PolarHBondContact N-O 3.31Å; T82-T98 PolarHBondContact N-O 2.91Å; T82-T98 WeakPolarHBondContact OG1-CA 3.39Å; T82-T98 VanDerWaalsContact OG1-CB 3.27Å; T82-T98 WeakPolarHBondContact OG1-CB 3.46Å; T82-T98 PolarHBondContact OG1-N 3.27Å; T82-T98 PolarHBondContact OG1-O 2.86Å; T82-T98 PolarHBondContact OG1-OG1 3.22Å; T98-D141 HydrophobicContact CG2-CB 3.87Å; T98-V142 WeakPolarHBondContact CA-O 3.45Å; T98-S143 VanDerWaalsContact CG2-OG 3.26Å; T98-S143 WeakPolarHBondContact CG2-OG 3.37Å; T98-S143 WeakPolarHBondContact OG1-CB 3.32Å; T98-S143 PolarHBondContact OG1-OG 2.97Å |
| 99 | W | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 145.8 | 173.8 | -54.8 | -91.9 | 0 | 0 | 0 | 109.5 | F77 K97 I101 L115 D141 V142 V144 M146 W159 I173 W174 V175 | F77-W99 HydrophobicContact CE2-CB 4.31Å; F77-W99 AromaticContact CE2-CD1 3.83Å; F77-W99 HydrophobicContact CE2-CG 4.49Å; K97-W99 HydrophobicContact CB-CH2 4.4Å; K97-W99 HydrophobicContact CD-CZ2 4.47Å; K97-W99 VanDerWaalsContact CE-NE1 3.28Å; K97-W99 HydrophobicContact CG-CD2 4.06Å; K97-W99 HydrophobicContact CG-CE3 4.2Å; K97-W99 HydrophobicContact CG-CH2 3.74Å; K97-W99 HydrophobicContact CG-CZ2 3.53Å; K97-W99 HydrophobicContact CG-CZ3 4.04Å; W99-I101 HydrophobicContact CB-CG2 4.43Å; W99-L115 HydrophobicContact CE3-CD2 3.85Å; W99-L115 HydrophobicContact CH2-CD2 4.35Å; W99-L115 HydrophobicContact CZ3-CD2 3.63Å; W99-D141 CarbonylContact O-C 3.49Å; W99-D141 WeakPolarHBondContact O-CA 3.36Å; W99-V142 PolarHBondContact N-O 3.28Å; W99-V142 VanDerWaalsContact N-O 3.1Å; W99-V142 PolarHBondContact O-N 2.89Å; W99-V144 HydrophobicContact CZ3-CB 4.3Å; W99-V144 HydrophobicContact CZ3-CG2 3.97Å; W99-M146 HydrophobicContact CH2-CE 3.67Å; W99-M146 HydrophobicContact CZ2-CE 4.47Å; W99-M146 HydrophobicContact CZ3-CE 4.39Å; W99-W159 HydrophobicContact CH2-CB 4.49Å; W99-W159 AromaticContact CH2-CD1 3.81Å; W99-W159 HydrophobicContact CH2-CD2 4.17Å; W99-W159 AromaticContact CH2-CG 3.92Å; W99-W159 HydrophobicContact CH2-CG 3.92Å; W99-W159 AromaticContact CZ2-CD1 3.97Å; W99-W159 HydrophobicContact CZ2-CG 4.32Å; W99-I173 HydrophobicContact CB-CD1 3.99Å; W99-I173 HydrophobicContact CD2-CD1 3.67Å; W99-I173 HydrophobicContact CD2-CG1 4.26Å; W99-I173 HydrophobicContact CE3-CD1 4.09Å; W99-I173 HydrophobicContact CG-CD1 3.67Å; W99-I173 HydrophobicContact CG-CG1 4.38Å; W99-I173 HydrophobicContact CZ2-CG1 4.47Å; W99-W174 PolarHBondContact NE1-O 3.19Å; W99-V175 HydrophobicContact CH2-CG2 4.1Å; W99-V175 HydrophobicContact CZ2-CG2 3.68Å |
| 100 | R | 98.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 27% | 0.268 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.1 | 166.6 | -172.6 | 161.5 | -74.3 | 154.7 | 3.3 | 108.7 | V78 E79 V81 I139 D141 | V78-R100 HydrophobicContact CB-CB 4.09Å; V78-R100 HydrophobicContact CB-CG 3.9Å; V78-R100 WeakPolarHBondContact CB-O 3.4Å; V78-R100 HydrophobicContact CG1-CG 4.13Å; V78-R100 HydrophobicContact CG2-CG 4.31Å; V78-R100 PolarHBondContact N-O 2.86Å; E79-R100 HydrophobicContact CG-CB 3.79Å; E79-R100 HydrophobicContact CG-CG 4.45Å; E79-R100 PolarHBondContact O-N 2.93Å; E79-R100 WeakPolarHBondContact OE1-CD 3.36Å; E79-R100 IonicContact OE1-CZ 2.59Å; E79-R100 IonicContact OE1-NE 2.8Å; E79-R100 IonicContact OE1-NH1 2.69Å; E79-R100 PolarHBondContact OE1-NH1 3.01Å; V81-R100 HydrophobicContact CG2-CB 3.71Å; R100-I139 HydrophobicContact CG-CG2 3.41Å; R100-I139 VanDerWaalsContact CG-CG2 3.41Å; R100-D141 WeakPolarHBondContact CG-OD1 3.27Å; R100-D141 IonicContact CZ-OD1 2.97Å; R100-D141 VanDerWaalsContact CZ-OD1 3.29Å; R100-D141 IonicContact CZ-OD2 2.66Å; R100-D141 IonicContact NE-OD1 3.86Å; R100-D141 PolarHBondContact NE-OD1 2.99Å; R100-D141 IonicContact NE-OD2 3.47Å; R100-D141 VanDerWaalsContact NH2-CG 3.33Å; R100-D141 IonicContact NH2-OD1 2.96Å; R100-D141 PolarHBondContact NH2-OD1 3.37Å; R100-D141 IonicContact NH2-OD2 3.21Å; R100-D141 PolarHBondContact NH2-OD2 3.43Å |
| 101 | I | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 151.7 | -178.2 | 64.3 | 177.3 | 0 | 0 | 0 | 110.5 | M75 S76 W99 W109 V131 I139 S140 V142 M161 I173 | M75-I101 HydrophobicContact CG-CB 3.92Å; M75-I101 HydrophobicContact CG-CD1 4.09Å; M75-I101 HydrophobicContact CG-CG1 4.42Å; M75-I101 HydrophobicContact CG-CG2 4.38Å; M75-I101 HydrophobicContact SD-CB 3.75Å; M75-I101 HydrophobicContact SD-CG2 3.66Å; S76-I101 WeakPolarHBondContact O-CA 3.26Å; W99-I101 HydrophobicContact CB-CG2 4.43Å; I101-W109 HydrophobicContact CD1-CH2 3.76Å; I101-W109 HydrophobicContact CD1-CZ3 4.07Å; I101-W109 HydrophobicContact CG1-CH2 4.21Å; I101-V131 HydrophobicContact CD1-CG1 4.42Å; I101-I139 WeakPolarHBondContact O-CA 3.15Å; I101-S140 PolarHBondContact N-O 2.66Å; I101-S140 PolarHBondContact O-N 3.47Å; I101-V142 HydrophobicContact CD1-CB 4.47Å; I101-V142 HydrophobicContact CD1-CG2 3.56Å; I101-V142 HydrophobicContact CG1-CG2 4.06Å; I101-M161 HydrophobicContact CD1-SD 4.12Å; I101-I173 HydrophobicContact CG2-CD1 4.31Å |
| 102 | Q | 98.5 | Very high | 95.1 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.5 | 179.1 | -169.7 | 178.2 | 25 | 0 | 0 | 111.2 | M75 S76 V78 T104 Q137 E138 I139 | M75-Q102 WeakPolarHBondContact CA-O 3.3Å; S76-Q102 PolarHBondContact N-O 2.89Å; S76-Q102 PolarHBondContact O-N 2.92Å; V78-Q102 HydrophobicContact CG2-CB 3.86Å; Q102-T104 HydrophobicContact CG-CG2 4.46Å; Q102-T104 PolarHBondContact O-N 2.98Å; Q102-Q137 PolarHBondContact NE2-O 3.11Å; Q102-E138 WeakPolarHBondContact CA-O 2.95Å; Q102-E138 WeakPolarHBondContact CG-O 3.4Å; Q102-I139 HydrophobicContact CB-CG1 4Å; Q102-I139 HydrophobicContact CG-CG1 3.72Å |
| 103 | N | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 106.1 | 162.9 | -179.9 | 9.1 | 0 | 0 | 0 | 110.1 | S74 G105 E107 W109 L134 D135 Q137 E138 | S74-N103 WeakPolarHBondContact O-CA 3.3Å; S74-N103 PolarHBondContact O-OD1 3.21Å; S74-N103 VanDerWaalsContact O-OD1 3.11Å; N103-G105 WeakPolarHBondContact OD1-CA 2.84Å; N103-G105 PolarHBondContact OD1-N 2.97Å; N103-E107 PolarHBondContact ND2-O 2.83Å; N103-W109 HydrophobicContact CB-CD2 4.44Å; N103-W109 HydrophobicContact CB-CZ2 3.87Å; N103-W109 VanDerWaalsContact CG-CD1 3.44Å; N103-W109 PolarHBondContact OD1-NE1 2.68Å; N103-L134 HydrophobicContact CB-CB 3.78Å; N103-L134 HydrophobicContact CB-CD1 4.44Å; N103-L134 PolarHBondContact ND2-O 3.37Å; N103-D135 WeakPolarHBondContact CB-O 3.37Å; N103-D135 PolarHBondContact ND2-O 3.33Å; N103-Q137 WeakPolarHBondContact O-CA 3.44Å; N103-Q137 PolarHBondContact O-N 3.08Å; N103-E138 PolarHBondContact N-O 3.28Å |
| 104 | T | 96.9 | Very high | 95.4 | Very high | 53 Ų | 53 | 39 Ų | 39 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | trans | -93.8 | 6.4 | 176.6 | 42.5 | 0 | 0 | 0 | 0 | 113.6 | S74 S76 Q102 | S74-T104 WeakPolarHBondContact CB-OG1 3.29Å; S74-T104 PolarHBondContact O-N 3.06Å; S74-T104 PolarHBondContact OG-OG1 2.9Å; S76-T104 WeakPolarHBondContact OG-CG2 3.25Å; Q102-T104 HydrophobicContact CG-CG2 4.46Å; Q102-T104 PolarHBondContact O-N 2.98Å | ||
| 105 | G | 93.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -79.6 | 171.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N103 | N103-G105 WeakPolarHBondContact OD1-CA 2.84Å; N103-G105 PolarHBondContact OD1-N 2.97Å |
| 106 | G | 91 | Very high | 95.8 | Very high | 63 Ų | 63 | 37.3 Ų | 37.3 | 65% | 0.649 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -81.9 | -12.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P136 | G106-P136 WeakPolarHBondContact O-CG 3.48Š|
| 107 | E | 92.5 | Very high | 96 | Very high | 106 Ų | 106 | 36.5 Ų | 36.5 | 50% | 0.495 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -130.5 | 158 | -176.1 | -75.4 | 174.5 | -149.9 | 0 | 0 | 111.7 | N71 N103 | N71-E107 PolarHBondContact ND2-OE1 2.9Å; N103-E107 PolarHBondContact ND2-O 2.83Å |
| 108 | S | 95.2 | Very high | 96.1 | Very high | 59 Ų | 59 | 39.7 Ų | 39.7 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 141 | 175.8 | -42.8 | 0 | 0 | 0 | 0 | 111.2 | L134 D135 | S108-L134 CarbonylContact C-O 3.58Å; S108-L134 WeakPolarHBondContact CA-O 3.15Å; S108-D135 VanDerWaalsContact CB-OD1 3.29Å; S108-D135 WeakPolarHBondContact CB-OD1 3.35Å; S108-D135 PolarHBondContact OG-OD1 3.01Å |
| 109 | W | 95.7 | Very high | 96 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 139.3 | -178.6 | -69.5 | -9.7 | 0 | 0 | 0 | 112.4 | P73 S74 M75 I101 N103 V113 V131 S133 L134 M161 Y169 | P73-W109 HydrophobicContact CB-CG 4.21Å; S74-W109 PolarHBondContact O-NE1 2.81Å; M75-W109 HydrophobicContact CB-CH2 3.95Å; M75-W109 HydrophobicContact CB-CZ2 3.48Å; M75-W109 VanDerWaalsContact CB-CZ2 3.48Å; M75-W109 HydrophobicContact CG-CH2 3.59Å; M75-W109 HydrophobicContact CG-CZ2 3.62Å; I101-W109 HydrophobicContact CD1-CH2 3.76Å; I101-W109 HydrophobicContact CD1-CZ3 4.07Å; I101-W109 HydrophobicContact CG1-CH2 4.21Å; N103-W109 HydrophobicContact CB-CD2 4.44Å; N103-W109 HydrophobicContact CB-CZ2 3.87Å; N103-W109 VanDerWaalsContact CG-CD1 3.44Å; N103-W109 PolarHBondContact OD1-NE1 2.68Å; W109-V113 HydrophobicContact CB-CG2 4.3Å; W109-V113 HydrophobicContact CE3-CG2 4.18Å; W109-V131 HydrophobicContact CZ3-CG1 3.98Å; W109-S133 WeakPolarHBondContact O-CB 3.47Å; W109-S133 PolarHBondContact O-OG 2.75Å; W109-L134 HydrophobicContact CD2-CB 4.05Å; W109-L134 HydrophobicContact CD2-CG 4.31Å; W109-L134 HydrophobicContact CE3-CB 3.94Å; W109-L134 HydrophobicContact CE3-CD1 4.09Å; W109-L134 HydrophobicContact CE3-CG 3.71Å; W109-L134 HydrophobicContact CH2-CD1 3.47Å; W109-L134 VanDerWaalsContact CH2-CD1 3.47Å; W109-L134 HydrophobicContact CH2-CG 4.06Å; W109-L134 HydrophobicContact CZ2-CD1 4.07Å; W109-L134 HydrophobicContact CZ3-CB 4.21Å; W109-L134 HydrophobicContact CZ3-CD1 3.48Å; W109-L134 VanDerWaalsContact CZ3-CD1 3.48Å; W109-L134 HydrophobicContact CZ3-CG 3.57Å; W109-L134 PolarHBondContact N-O 3.01Å; W109-M161 HydrophobicContact CE3-CE 4.09Å; W109-M161 HydrophobicContact CH2-CE 4.38Å; W109-M161 HydrophobicContact CZ3-CE 3.77Å; W109-Y169 HydrophobicContact CD2-CE2 4.33Å; W109-Y169 HydrophobicContact CZ2-CE2 4.36Å |
| 110 | P | 92.2 | Very high | 95.9 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 153.9 | -178.8 | 25.1 | -34 | 0 | 0 | 0 | 112.1 | P73 V113 S133 T163 | P73-P110 HydrophobicContact CG-CG 4.35Å; P110-V113 HydrophobicContact CG-CG1 3.94Å; P110-V113 VanDerWaalsContact O-CG1 3.29Å; P110-V113 WeakPolarHBondContact O-CG1 3.39Å; P110-S133 PolarHBondContact O-OG 2.88Å; P110-T163 HydrophobicContact CG-CG2 4.41Å |
| 111 | P | 92.1 | Very high | 95.8 | Very high | 109 Ų | 109 | 41.9 Ų | 41.9 | 71% | 0.708 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 145.6 | 179.6 | 27.1 | -35.1 | 0 | 0 | 0 | 111.6 | ||
| 112 | G | 92.8 | Very high | 95.6 | Very high | 35 Ų | 35 | 47 Ų | 47 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 19.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 113 | V | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -66.7 | 148.9 | 169.7 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | W109 P110 V131 M161 C162 Y169 | W109-V113 HydrophobicContact CB-CG2 4.3Å; W109-V113 HydrophobicContact CE3-CG2 4.18Å; P110-V113 HydrophobicContact CG-CG1 3.94Å; P110-V113 VanDerWaalsContact O-CG1 3.29Å; P110-V113 WeakPolarHBondContact O-CG1 3.39Å; V113-V131 PolarHBondContact O-N 2.83Å; V113-M161 HydrophobicContact CB-CE 4.11Å; V113-M161 HydrophobicContact CG2-CE 4.32Å; V113-C162 WeakPolarHBondContact CA-O 3.44Å; V113-Y169 HydrophobicContact CB-CE1 4.5Å; V113-Y169 WeakPolarHBondContact CB-OH 3.33Å; V113-Y169 HydrophobicContact CG1-CE1 3.92Å; V113-Y169 VanDerWaalsContact CG1-OH 3.25Å; V113-Y169 WeakPolarHBondContact CG1-OH 3.34Å | ||
| 114 | C | 97.9 | Very high | 95 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 10% | 0.101 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.5 | 179.5 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | S128 V129 M130 M161 C162 | C114-S128 PolarHBondContact SG-OG 3.21Å; C114-V129 CarbonylContact C-O 3.54Å; C114-V129 WeakPolarHBondContact CA-O 3.12Å; C114-V129 WeakPolarHBondContact CB-O 3.46Å; C114-M130 HydrophobicContact CB-SD 4.08Å; C114-M161 CarbonylContact O-C 3.52Å; C114-C162 PolarHBondContact N-O 2.77Å; C114-C162 PolarHBondContact O-N 3.4Å |
| 115 | L | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 131.5 | 164.5 | -176.6 | 75.4 | 0 | 0 | 0 | 107.4 | W99 S128 V129 V131 V142 W159 M161 I173 | W99-L115 HydrophobicContact CE3-CD2 3.85Å; W99-L115 HydrophobicContact CH2-CD2 4.35Å; W99-L115 HydrophobicContact CZ3-CD2 3.63Å; L115-S128 CarbonylContact O-C 3.59Å; L115-S128 VanDerWaalsContact O-CA 3.26Å; L115-S128 WeakPolarHBondContact O-CA 3.43Å; L115-S128 PolarHBondContact O-OG 2.85Å; L115-V129 HydrophobicContact CB-CG1 3.86Å; L115-V129 HydrophobicContact CD2-CG1 4.43Å; L115-V129 PolarHBondContact N-O 3.5Å; L115-V129 PolarHBondContact O-N 2.69Å; L115-V131 HydrophobicContact CB-CG2 4.01Å; L115-V142 HydrophobicContact CB-CG1 4.25Å; L115-V142 HydrophobicContact CD2-CG1 3.88Å; L115-W159 HydrophobicContact CD1-CB 4.17Å; L115-W159 HydrophobicContact CD2-CB 4.36Å; L115-W159 HydrophobicContact CD2-CE3 4.21Å; L115-W159 HydrophobicContact CG-CB 4.2Å; L115-W159 HydrophobicContact CG-CE3 4.06Å; L115-M161 HydrophobicContact CB-SD 3.82Å; L115-M161 HydrophobicContact CD1-CG 4.29Å; L115-M161 HydrophobicContact CD1-SD 3.81Å; L115-M161 HydrophobicContact CG-SD 4.45Å; L115-I173 HydrophobicContact CD1-CD1 3.67Å; L115-I173 HydrophobicContact CD1-CG1 4.19Å; L115-I173 HydrophobicContact CD2-CD1 3.96Å; L115-I173 HydrophobicContact CG-CD1 4.47Å |
| 116 | K | 98.1 | Very high | 94.7 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 34% | 0.339 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138.5 | -170.6 | -172.2 | 177.7 | 179.3 | -178.7 | 0 | 111.6 | N127 W159 R160 C162 F168 | K116-N127 WeakPolarHBondContact CA-O 3.46Å; K116-N127 WeakPolarHBondContact CG-O 3.47Å; K116-W159 VanDerWaalsContact C-CE3 3.41Å; K116-W159 CarbonylContact O-C 3.52Å; K116-W159 WeakPolarHBondContact O-CA 3.34Å; K116-R160 PolarHBondContact N-O 2.96Å; K116-R160 PolarHBondContact O-N 3.17Å; K116-C162 HydrophobicContact CB-CB 4.16Å; K116-C162 HydrophobicContact CD-CB 4.33Å; K116-F168 HydrophobicContact CB-CE1 4.23Å; K116-F168 HydrophobicContact CD-CE1 4.04Å; K116-F168 HydrophobicContact CD-CZ 4.05Å; K116-F168 HydrophobicContact CG-CE1 4.41Å |
| 117 | Y | 98.1 | Very high | 94.9 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 135.5 | 173.9 | 169.9 | -98.5 | 0 | 0 | 0 | 110.4 | G119 G120 Q122 N127 Q158 W159 | Y117-G119 WeakPolarHBondContact CE2-O 3.23Å; Y117-G120 PolarHBondContact OH-O 2.74Å; Y117-Q122 HydrophobicContact CE2-CB 4.4Å; Y117-N127 PolarHBondContact N-O 3.11Å; Y117-Q158 WeakPolarHBondContact CD2-O 3.14Å; Y117-W159 HydrophobicContact CD2-CZ2 4.45Å |
| 118 | I | 97.5 | Very high | 95.1 | Very high | 68 Ų | 68 | 54.2 Ų | 54.2 | 35% | 0.349 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -16.4 | -176 | 60.4 | 164.6 | 0 | 0 | 0 | 114.9 | Q158 R160 F168 V172 | I118-Q158 HydrophobicContact CD1-CB 4.16Å; I118-Q158 HydrophobicContact CG1-CB 3.64Å; I118-Q158 WeakPolarHBondContact CG1-O 3.12Å; I118-Q158 PolarHBondContact N-O 2.66Å; I118-R160 HydrophobicContact CD1-CB 4Å; I118-R160 HydrophobicContact CG2-CB 4.18Å; I118-F168 HydrophobicContact CG2-CD1 4.06Å; I118-F168 HydrophobicContact CG2-CE1 3.33Å; I118-F168 HydrophobicContact CG2-CE2 4.49Å; I118-F168 HydrophobicContact CG2-CZ 3.59Å; I118-V172 HydrophobicContact CD1-CG1 4.14Å; I118-V172 HydrophobicContact CD1-CG2 4.04Å |
| 119 | G | 96.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y117 Q158 | Y117-G119 WeakPolarHBondContact CE2-O 3.23Å; G119-Q158 WeakPolarHBondContact O-CB 3.43Å; G119-Q158 PolarHBondContact O-N 3.16Å |
| 120 | G | 96.5 | Very high | 95.3 | Very high | 54 Ų | 54 | 59 Ų | 59 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 89.8 | -144.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y117 Q156 | Y117-G120 PolarHBondContact OH-O 2.74Å; G120-Q156 CarbonylContact C-O 3.54Å; G120-Q156 WeakPolarHBondContact CA-O 3.5Å |
| 121 | D | 95.6 | Very high | 95.6 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 32% | 0.321 | 33% | 0.33 | S | S | . | . | trans | -85.4 | 138.9 | 174.6 | -62.1 | -65.8 | 0 | 0 | 0 | 111.2 | F123 Y155 Q156 G157 | D121-F123 HydrophobicContact CB-CE2 4.22Å; D121-F123 HydrophobicContact CB-CZ 4.07Å; D121-F123 WeakPolarHBondContact O-CE2 3.22Å; D121-Y155 HydrophobicContact CB-CD1 4.19Å; D121-Y155 WeakPolarHBondContact OD2-CA 3.48Å; D121-Q156 PolarHBondContact N-O 3.37Å; D121-Q156 PolarHBondContact OD2-N 2.76Å; D121-G157 WeakPolarHBondContact O-CA 3.35Å | ||
| 122 | Q | 93.2 | Very high | 95.8 | Very high | 108 Ų | 108 | 56.8 Ų | 56.8 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | trans | -105.8 | 107.5 | -175.8 | -169.2 | -178.9 | -15.4 | 0 | 0 | 112.2 | Y117 G124 | Y117-Q122 HydrophobicContact CE2-CB 4.4Å; Q122-G124 WeakPolarHBondContact CG-O 3.44Å; Q122-G124 PolarHBondContact NE2-O 3.42Å; Q122-G124 PolarHBondContact O-N 2.81Å | ||
| 123 | F | 93.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | trans | -82.2 | 49.1 | -177.3 | -55.8 | -82.3 | 0 | 0 | 0 | 113.7 | F95 D121 M146 R147 P149 V175 L177 | F95-F123 HydrophobicContact CZ-CB 4.46Å; F95-F123 HydrophobicContact CZ-CD1 4.37Å; F95-F123 HydrophobicContact CZ-CG 4.48Å; D121-F123 HydrophobicContact CB-CE2 4.22Å; D121-F123 HydrophobicContact CB-CZ 4.07Å; D121-F123 WeakPolarHBondContact O-CE2 3.22Å; F123-M146 HydrophobicContact CB-CB 3.91Å; F123-M146 HydrophobicContact CB-CG 4.07Å; F123-M146 HydrophobicContact CB-SD 3.81Å; F123-M146 HydrophobicContact CD2-SD 4.32Å; F123-M146 HydrophobicContact CG-SD 4.29Å; F123-M146 CarbonylContact O-C 3.57Å; F123-M146 WeakPolarHBondContact O-CA 3.42Å; F123-M146 WeakPolarHBondContact O-CB 3.28Å; F123-R147 CarbonylContact C-O 3.56Å; F123-R147 WeakPolarHBondContact CA-O 3.29Å; F123-R147 WeakPolarHBondContact CB-O 3.46Å; F123-R147 PolarHBondContact O-N 3.41Å; F123-P149 HydrophobicContact CE1-CG 4.37Å; F123-V175 HydrophobicContact CD2-CB 3.99Å; F123-V175 HydrophobicContact CD2-CG1 3.94Å; F123-V175 HydrophobicContact CD2-CG2 4.07Å; F123-V175 HydrophobicContact CE2-CB 3.66Å; F123-V175 HydrophobicContact CE2-CG1 3.73Å; F123-V175 HydrophobicContact CE2-CG2 4.21Å; F123-V175 HydrophobicContact CZ-CB 4.4Å; F123-V175 HydrophobicContact CZ-CG1 4.11Å; F123-L177 HydrophobicContact CD1-CD2 3.81Å; F123-L177 HydrophobicContact CE1-CB 3.92Å; F123-L177 HydrophobicContact CE1-CD2 3.5Å; F123-L177 VanDerWaalsContact CE1-CD2 3.5Å; F123-L177 HydrophobicContact CE1-CG 4.36Å; F123-L177 HydrophobicContact CZ-CB 4.12Å; F123-L177 HydrophobicContact CZ-CD2 4.46Å | ||
| 124 | G | 91.3 | Very high | 96 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 112 | -175.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q122 V126 | Q122-G124 WeakPolarHBondContact CG-O 3.44Å; Q122-G124 PolarHBondContact NE2-O 3.42Å; Q122-G124 PolarHBondContact O-N 2.81Å; G124-V126 PolarHBondContact O-N 3.1Å |
| 125 | H | 90.6 | Very high | 96 | Very high | 190 Ų | 190 | 61.3 Ų | 61.3 | 88% | 0.88 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -79.8 | -15.6 | -166.4 | -57.2 | -56.7 | 0 | 0 | 0 | 115.5 | N127 | H125-N127 PolarHBondContact O-N 3.34Š|
| 126 | V | 94.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 64 Ų | 64 | 39% | 0.394 | 35% | 0.354 | S | S | . | . | trans | -72.4 | 122 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | G124 S128 V144 W159 | G124-V126 PolarHBondContact O-N 3.1Å; V126-S128 WeakPolarHBondContact CG1-O 3.5Å; V126-V144 HydrophobicContact CB-CG1 4.23Å; V126-V144 HydrophobicContact CG1-CG1 4Å; V126-W159 HydrophobicContact CG1-CH2 4.48Å; V126-W159 WeakPolarHBondContact O-CH2 3.38Å | ||
| 127 | N | 94.9 | Very high | 95.9 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | trans | -118.7 | -4.1 | 176.8 | 65.1 | 4.9 | 0 | 0 | 0 | 113.2 | K116 Y117 H125 | K116-N127 WeakPolarHBondContact CA-O 3.46Å; K116-N127 WeakPolarHBondContact CG-O 3.47Å; Y117-N127 PolarHBondContact N-O 3.11Å; H125-N127 PolarHBondContact O-N 3.34Å | ||
| 128 | S | 96.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 145.1 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | C114 L115 V126 | C114-S128 PolarHBondContact SG-OG 3.21Å; L115-S128 CarbonylContact O-C 3.59Å; L115-S128 VanDerWaalsContact O-CA 3.26Å; L115-S128 WeakPolarHBondContact O-CA 3.43Å; L115-S128 PolarHBondContact O-OG 2.85Å; V126-S128 WeakPolarHBondContact CG1-O 3.5Å |
| 129 | V | 97.8 | Very high | 96 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.8 | 172.8 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | C114 L115 V142 V144 | C114-V129 CarbonylContact C-O 3.54Å; C114-V129 WeakPolarHBondContact CA-O 3.12Å; C114-V129 WeakPolarHBondContact CB-O 3.46Å; L115-V129 HydrophobicContact CB-CG1 3.86Å; L115-V129 HydrophobicContact CD2-CG1 4.43Å; L115-V129 PolarHBondContact N-O 3.5Å; L115-V129 PolarHBondContact O-N 2.69Å; V129-V142 HydrophobicContact CG1-CG1 3.9Å; V129-V144 HydrophobicContact CB-CG2 4.2Å; V129-V144 HydrophobicContact CG1-CG2 3.59Å |
| 130 | M | 97.7 | Very high | 96 | Very high | 127 Ų | 127 | 67.2 Ų | 67.2 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 139.2 | 175.8 | -62.3 | -54.9 | -59.4 | 0 | 0 | 110.3 | C114 | C114-M130 HydrophobicContact CB-SD 4.08Å |
| 131 | V | 97.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 67.9 Ų | 67.9 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | trans | -119.5 | 146.3 | 178.1 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | I101 W109 V113 L115 V142 M161 | I101-V131 HydrophobicContact CD1-CG1 4.42Å; W109-V131 HydrophobicContact CZ3-CG1 3.98Å; V113-V131 PolarHBondContact O-N 2.83Å; L115-V131 HydrophobicContact CB-CG2 4.01Å; V131-V142 HydrophobicContact CG1-CG2 3.79Å; V131-V142 HydrophobicContact CG2-CG1 3.95Å; V131-V142 HydrophobicContact CG2-CG2 3.98Å; V131-M161 HydrophobicContact CB-CE 3.95Å; V131-M161 HydrophobicContact CG1-CE 4.18Å; V131-M161 HydrophobicContact CG2-CE 3.98Å; V131-M161 HydrophobicContact CG2-SD 4.11Å | ||
| 132 | K | 96.2 | Very high | 96.2 | Very high | 100 Ų | 100 | 65.4 Ų | 65.4 | 44% | 0.435 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -64 | 144.5 | 172.8 | 49.3 | 157.1 | 175.3 | 157.6 | 0 | 110.3 | L134 E138 S140 | K132-L134 HydrophobicContact CD-CD2 3.58Å; K132-L134 HydrophobicContact CG-CD2 3.67Å; K132-L134 PolarHBondContact O-N 3.11Å; K132-E138 IonicContact NZ-OE1 2.66Å; K132-E138 PolarHBondContact NZ-OE1 3.4Å; K132-S140 VanDerWaalsContact CE-CB 3.48Å; K132-S140 WeakPolarHBondContact CE-OG 3.5Å |
| 133 | S | 96.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 63.2 Ų | 63.2 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 122.8 | 161.7 | -72.3 | 0 | 0 | 0 | 0 | 108.5 | W109 P110 | W109-S133 WeakPolarHBondContact O-CB 3.47Å; W109-S133 PolarHBondContact O-OG 2.75Å; P110-S133 PolarHBondContact O-OG 2.88Å |
| 134 | L | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 136.1 | 178.1 | -64.4 | -167.7 | 0 | 0 | 0 | 110.2 | N103 S108 W109 K132 E138 | N103-L134 HydrophobicContact CB-CB 3.78Å; N103-L134 HydrophobicContact CB-CD1 4.44Å; N103-L134 PolarHBondContact ND2-O 3.37Å; S108-L134 CarbonylContact C-O 3.58Å; S108-L134 WeakPolarHBondContact CA-O 3.15Å; W109-L134 HydrophobicContact CD2-CB 4.05Å; W109-L134 HydrophobicContact CD2-CG 4.31Å; W109-L134 HydrophobicContact CE3-CB 3.94Å; W109-L134 HydrophobicContact CE3-CD1 4.09Å; W109-L134 HydrophobicContact CE3-CG 3.71Å; W109-L134 HydrophobicContact CH2-CD1 3.47Å; W109-L134 VanDerWaalsContact CH2-CD1 3.47Å; W109-L134 HydrophobicContact CH2-CG 4.06Å; W109-L134 HydrophobicContact CZ2-CD1 4.07Å; W109-L134 HydrophobicContact CZ3-CB 4.21Å; W109-L134 HydrophobicContact CZ3-CD1 3.48Å; W109-L134 VanDerWaalsContact CZ3-CD1 3.48Å; W109-L134 HydrophobicContact CZ3-CG 3.57Å; W109-L134 PolarHBondContact N-O 3.01Å; K132-L134 HydrophobicContact CD-CD2 3.58Å; K132-L134 HydrophobicContact CG-CD2 3.67Å; K132-L134 PolarHBondContact O-N 3.11Å; L134-E138 VanDerWaalsContact CA-OE2 3.27Å; L134-E138 WeakPolarHBondContact CA-OE2 3.1Å; L134-E138 HydrophobicContact CB-CB 4.24Å; L134-E138 HydrophobicContact CD2-CG 4.47Å |
| 135 | D | 97.6 | Very high | 96.9 | Very high | 93 Ų | 93 | 67.9 Ų | 67.9 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 162.1 | 169.6 | -77.2 | -30.8 | 0 | 0 | 0 | 111.6 | N103 S108 Q137 E138 | N103-D135 WeakPolarHBondContact CB-O 3.37Å; N103-D135 PolarHBondContact ND2-O 3.33Å; S108-D135 VanDerWaalsContact CB-OD1 3.29Å; S108-D135 WeakPolarHBondContact CB-OD1 3.35Å; S108-D135 PolarHBondContact OG-OD1 3.01Å; D135-Q137 PolarHBondContact O-N 2.66Å; D135-E138 HydrophobicContact CB-CB 4.34Å; D135-E138 PolarHBondContact N-OE2 3.07Å; D135-E138 WeakPolarHBondContact O-CB 3.27Å; D135-E138 PolarHBondContact O-N 2.89Å |
| 136 | P | 97.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 133 | 177.8 | -28.7 | 37 | 0 | 0 | 0 | 112.6 | G106 E138 | G106-P136 WeakPolarHBondContact O-CG 3.48Å; P136-E138 PolarHBondContact O-N 3.42Å |
| 137 | Q | 97.6 | Very high | 97.2 | Very high | 116 Ų | 116 | 61 Ų | 61 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -0.5 | -173.5 | -53 | -63.2 | -64.3 | 0 | 0 | 115.8 | Q102 N103 D135 | Q102-Q137 PolarHBondContact NE2-O 3.11Å; N103-Q137 WeakPolarHBondContact O-CA 3.44Å; N103-Q137 PolarHBondContact O-N 3.08Å; D135-Q137 PolarHBondContact O-N 2.66Å |
| 138 | E | 98.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | trans | -68.2 | 142.7 | 176.9 | -161.5 | -163.7 | 163 | 0 | 0 | 111.3 | Q102 N103 K132 L134 D135 P136 | Q102-E138 WeakPolarHBondContact CA-O 2.95Å; Q102-E138 WeakPolarHBondContact CG-O 3.4Å; N103-E138 PolarHBondContact N-O 3.28Å; K132-E138 IonicContact NZ-OE1 2.66Å; K132-E138 PolarHBondContact NZ-OE1 3.4Å; L134-E138 VanDerWaalsContact CA-OE2 3.27Å; L134-E138 WeakPolarHBondContact CA-OE2 3.1Å; L134-E138 HydrophobicContact CB-CB 4.24Å; L134-E138 HydrophobicContact CD2-CG 4.47Å; D135-E138 HydrophobicContact CB-CB 4.34Å; D135-E138 PolarHBondContact N-OE2 3.07Å; D135-E138 WeakPolarHBondContact O-CB 3.27Å; D135-E138 PolarHBondContact O-N 2.89Å; P136-E138 PolarHBondContact O-N 3.42Å | ||
| 139 | I | 98.3 | Very high | 97.2 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 41% | 0.41 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144 | 179.8 | -63.7 | 174.5 | 0 | 0 | 0 | 109.6 | R100 I101 Q102 | R100-I139 HydrophobicContact CG-CG2 3.41Å; R100-I139 VanDerWaalsContact CG-CG2 3.41Å; I101-I139 WeakPolarHBondContact O-CA 3.15Å; Q102-I139 HydrophobicContact CB-CG1 4Å; Q102-I139 HydrophobicContact CG-CG1 3.72Å |
| 140 | S | 98 | Very high | 97.1 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 12% | 0.119 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.7 | 171.2 | -166.8 | 0 | 0 | 0 | 0 | 112.2 | I101 K132 | I101-S140 PolarHBondContact N-O 2.66Å; I101-S140 PolarHBondContact O-N 3.47Å; K132-S140 VanDerWaalsContact CE-CB 3.48Å; K132-S140 WeakPolarHBondContact CE-OG 3.5Å |
| 141 | D | 98.4 | Very high | 97 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 139.7 | 163 | -62.1 | -13.9 | 0 | 0 | 0 | 108.6 | T98 W99 R100 | T98-D141 HydrophobicContact CG2-CB 3.87Å; W99-D141 CarbonylContact O-C 3.49Å; W99-D141 WeakPolarHBondContact O-CA 3.36Å; R100-D141 WeakPolarHBondContact CG-OD1 3.27Å; R100-D141 IonicContact CZ-OD1 2.97Å; R100-D141 VanDerWaalsContact CZ-OD1 3.29Å; R100-D141 IonicContact CZ-OD2 2.66Å; R100-D141 IonicContact NE-OD1 3.86Å; R100-D141 PolarHBondContact NE-OD1 2.99Å; R100-D141 IonicContact NE-OD2 3.47Å; R100-D141 VanDerWaalsContact NH2-CG 3.33Å; R100-D141 IonicContact NH2-OD1 2.96Å; R100-D141 PolarHBondContact NH2-OD1 3.37Å; R100-D141 IonicContact NH2-OD2 3.21Å; R100-D141 PolarHBondContact NH2-OD2 3.43Å |
| 142 | V | 98 | Very high | 97 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | T98 W99 I101 L115 V129 V131 | T98-V142 WeakPolarHBondContact CA-O 3.45Å; W99-V142 PolarHBondContact N-O 3.28Å; W99-V142 VanDerWaalsContact N-O 3.1Å; W99-V142 PolarHBondContact O-N 2.89Å; I101-V142 HydrophobicContact CD1-CB 4.47Å; I101-V142 HydrophobicContact CD1-CG2 3.56Å; I101-V142 HydrophobicContact CG1-CG2 4.06Å; L115-V142 HydrophobicContact CB-CG1 4.25Å; L115-V142 HydrophobicContact CD2-CG1 3.88Å; V129-V142 HydrophobicContact CG1-CG1 3.9Å; V131-V142 HydrophobicContact CG1-CG2 3.79Å; V131-V142 HydrophobicContact CG2-CG1 3.95Å; V131-V142 HydrophobicContact CG2-CG2 3.98Å |
| 143 | S | 97.6 | Very high | 96.9 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.5 | -175.5 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | K97 T98 | K97-S143 CarbonylContact O-C 3.52Å; K97-S143 WeakPolarHBondContact O-CA 3.41Å; T98-S143 VanDerWaalsContact CG2-OG 3.26Å; T98-S143 WeakPolarHBondContact CG2-OG 3.37Å; T98-S143 WeakPolarHBondContact OG1-CB 3.32Å; T98-S143 PolarHBondContact OG1-OG 2.97Å |
| 144 | V | 97.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.6 | 171.5 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | T96 K97 W99 V126 V129 M146 W159 | T96-V144 WeakPolarHBondContact CA-O 3.45Å; K97-V144 PolarHBondContact N-O 3.41Å; K97-V144 PolarHBondContact O-N 2.96Å; W99-V144 HydrophobicContact CZ3-CB 4.3Å; W99-V144 HydrophobicContact CZ3-CG2 3.97Å; V126-V144 HydrophobicContact CB-CG1 4.23Å; V126-V144 HydrophobicContact CG1-CG1 4Å; V129-V144 HydrophobicContact CB-CG2 4.2Å; V129-V144 HydrophobicContact CG1-CG2 3.59Å; V144-M146 HydrophobicContact CB-CE 3.84Å; V144-M146 HydrophobicContact CG1-CE 3.63Å; V144-M146 HydrophobicContact CG1-CG 3.93Å; V144-W159 HydrophobicContact CG1-CH2 3.88Å; V144-W159 HydrophobicContact CG1-CZ2 4.15Å; V144-W159 HydrophobicContact CG2-CH2 4.29Å; V144-W159 HydrophobicContact CG2-CZ3 4.23Å |
| 145 | Q | 96 | Very high | 96.7 | Very high | 131 Ų | 131 | 63.4 Ų | 63.4 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 130.7 | 170.5 | -175.9 | 173.5 | 93.6 | 0 | 0 | 109.7 | ||
| 146 | M | 95.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 166.7 | -170.6 | -69.2 | -166.6 | -178.8 | 0 | 0 | 111.6 | L94 F95 K97 W99 F123 V144 W159 V175 | L94-M146 WeakPolarHBondContact CA-O 3.42Å; F95-M146 HydrophobicContact CD1-CB 4.19Å; F95-M146 HydrophobicContact CD2-CB 4.07Å; F95-M146 HydrophobicContact CE1-CB 3.8Å; F95-M146 HydrophobicContact CE2-CB 3.69Å; F95-M146 HydrophobicContact CE2-CG 4.32Å; F95-M146 HydrophobicContact CE2-SD 3.96Å; F95-M146 HydrophobicContact CG-CB 4.32Å; F95-M146 HydrophobicContact CZ-CB 3.54Å; F95-M146 HydrophobicContact CZ-CG 4.38Å; F95-M146 HydrophobicContact CZ-SD 4.04Å; F95-M146 PolarHBondContact N-O 2.92Å; F95-M146 PolarHBondContact O-N 3.14Å; F95-M146 VanDerWaalsContact O-O 3.1Å; K97-M146 HydrophobicContact CB-CE 3.98Å; K97-M146 HydrophobicContact CB-CG 4.5Å; K97-M146 HydrophobicContact CB-SD 3.77Å; K97-M146 HydrophobicContact CG-CE 4.43Å; K97-M146 HydrophobicContact CG-SD 4.5Å; W99-M146 HydrophobicContact CH2-CE 3.67Å; W99-M146 HydrophobicContact CZ2-CE 4.47Å; W99-M146 HydrophobicContact CZ3-CE 4.39Å; F123-M146 HydrophobicContact CB-CB 3.91Å; F123-M146 HydrophobicContact CB-CG 4.07Å; F123-M146 HydrophobicContact CB-SD 3.81Å; F123-M146 HydrophobicContact CD2-SD 4.32Å; F123-M146 HydrophobicContact CG-SD 4.29Å; F123-M146 CarbonylContact O-C 3.57Å; F123-M146 WeakPolarHBondContact O-CA 3.42Å; F123-M146 WeakPolarHBondContact O-CB 3.28Å; V144-M146 HydrophobicContact CB-CE 3.84Å; V144-M146 HydrophobicContact CG1-CE 3.63Å; V144-M146 HydrophobicContact CG1-CG 3.93Å; M146-W159 HydrophobicContact CE-CZ2 3.66Å; M146-V175 HydrophobicContact CE-CG2 3.59Å; M146-V175 HydrophobicContact SD-CG1 4.24Å; M146-V175 HydrophobicContact SD-CG2 3.71Å |
| 147 | R | 95.9 | Very high | 96.5 | Very high | 106 Ų | 106 | 61.1 Ų | 61.1 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.8 | 174.8 | -161 | 173.9 | -162.9 | -112.9 | -5.1 | 110.5 | D92 T93 L94 F123 | D92-R147 VanDerWaalsContact CG-CZ 3.42Å; D92-R147 PolarHBondContact O-NE 2.97Å; D92-R147 PolarHBondContact O-NH2 3.38Å; D92-R147 IonicContact OD1-CZ 3.44Å; D92-R147 IonicContact OD1-NH1 2.77Å; D92-R147 PolarHBondContact OD1-NH1 3.32Å; D92-R147 IonicContact OD1-NH2 3.58Å; D92-R147 IonicContact OD2-CZ 3.32Å; D92-R147 IonicContact OD2-NH1 3.24Å; D92-R147 PolarHBondContact OD2-NH1 3.32Å; D92-R147 IonicContact OD2-NH2 2.65Å; D92-R147 PolarHBondContact OD2-NH2 3.48Å; T93-R147 CarbonylContact O-C 3.57Å; T93-R147 VanDerWaalsContact O-CA 3.31Å; T93-R147 WeakPolarHBondContact O-CA 3.45Å; L94-R147 HydrophobicContact CD2-CB 3.98Å; L94-R147 HydrophobicContact CD2-CG 3.93Å; F123-R147 CarbonylContact C-O 3.56Å; F123-R147 WeakPolarHBondContact CA-O 3.29Å; F123-R147 WeakPolarHBondContact CB-O 3.46Å; F123-R147 PolarHBondContact O-N 3.41Å |
| 148 | S | 95.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 31% | 0.31 | C | S | . | . | trans | -71.4 | 146.3 | 175.4 | 56 | 0 | 0 | 0 | 0 | 111.1 | P90 D92 T93 | P90-S148 WeakPolarHBondContact O-CB 3.46Å; P90-S148 PolarHBondContact O-OG 2.94Å; D92-S148 WeakPolarHBondContact CA-O 3.45Å; D92-S148 PolarHBondContact N-O 2.98Å; D92-S148 PolarHBondContact N-OG 2.67Å; T93-S148 PolarHBondContact N-OG 2.57Å; T93-S148 PolarHBondContact O-N 2.88Å; T93-S148 PolarHBondContact O-OG 2.97Å | ||
| 149 | P | 95.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 21% | 0.208 | 30% | 0.297 | C | S | . | . | trans | -52.3 | 153.2 | 169.5 | -31.4 | 36.8 | 0 | 0 | 0 | 113.7 | P91 D92 F123 N151 Y155 | P91-P149 VanDerWaalsContact CA-O 3.27Å; P91-P149 WeakPolarHBondContact CA-O 3.37Å; D92-P149 PolarHBondContact N-O 2.96Å; D92-P149 VanDerWaalsContact N-O 3.1Å; F123-P149 HydrophobicContact CE1-CG 4.37Å; P149-N151 VanDerWaalsContact C-N 3.32Å; P149-Y155 HydrophobicContact CB-CD2 4.32Å; P149-Y155 HydrophobicContact CB-CE1 4.11Å; P149-Y155 HydrophobicContact CB-CE2 3.78Å; P149-Y155 HydrophobicContact CG-CD1 3.9Å; P149-Y155 HydrophobicContact CG-CD2 3.83Å; P149-Y155 HydrophobicContact CG-CE1 3.88Å; P149-Y155 HydrophobicContact CG-CE2 3.8Å; P149-Y155 HydrophobicContact CG-CG 3.87Å | ||
| 150 | T | 96.1 | Very high | 96.5 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 57% | 0.571 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -78.4 | -16.3 | 178.4 | -37.4 | 0 | 0 | 0 | 0 | 112.8 | D92 | D92-T150 HydrophobicContact CB-CG2 4.29Å; D92-T150 PolarHBondContact OD1-OG1 3.13Å |
| 151 | N | 96.2 | Very high | 96.5 | Very high | 112 Ų | 112 | 54.9 Ų | 54.9 | 60% | 0.599 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -99.8 | 138.1 | 176.6 | -67.9 | -35.2 | 0 | 0 | 0 | 110.5 | P149 Y155 V179 | P149-N151 VanDerWaalsContact C-N 3.32Å; N151-Y155 WeakPolarHBondContact O-CE2 3.43Å; N151-Y155 PolarHBondContact O-OH 3.2Å; N151-V179 WeakPolarHBondContact O-CG1 3.41Å |
| 152 | P | 96.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | trans | -64.1 | 145.8 | 170.1 | -24.4 | 36.1 | 0 | 0 | 0 | 113.2 | P91 V179 V181 | P91-P152 HydrophobicContact CG-CG 4.41Å; P152-V179 CarbonylContact C-O 3.58Å; P152-V179 WeakPolarHBondContact CA-O 3.3Å; P152-V179 VanDerWaalsContact CB-O 3.32Å; P152-V179 WeakPolarHBondContact CB-O 3.43Å; P152-V181 HydrophobicContact CG-CG2 3.77Å | ||
| 153 | G | 94.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.2 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y155 V179 | G153-Y155 WeakPolarHBondContact O-CD2 3.28Å; G153-V179 PolarHBondContact N-O 3.47Å; G153-V179 PolarHBondContact O-N 2.92Å |
| 154 | M | 94.7 | Very high | 95.8 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 62% | 0.616 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.8 | 170.1 | -70.1 | -58.4 | -55.1 | 0 | 0 | 110.3 | I176 L177 S178 | M154-I176 HydrophobicContact CE-CG2 3.76Å; M154-L177 WeakPolarHBondContact CA-O 3.36Å; M154-S178 VanDerWaalsContact SD-CB 3.54Å |
| 155 | Y | 95.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 57 Ų | 57 | 17% | 0.173 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 148.3 | 179.3 | -63.3 | -86.4 | 0 | 0 | 0 | 110.7 | D121 P149 N151 G153 L177 V179 | D121-Y155 HydrophobicContact CB-CD1 4.19Å; D121-Y155 WeakPolarHBondContact OD2-CA 3.48Å; P149-Y155 HydrophobicContact CB-CD2 4.32Å; P149-Y155 HydrophobicContact CB-CE1 4.11Å; P149-Y155 HydrophobicContact CB-CE2 3.78Å; P149-Y155 HydrophobicContact CG-CD1 3.9Å; P149-Y155 HydrophobicContact CG-CD2 3.83Å; P149-Y155 HydrophobicContact CG-CE1 3.88Å; P149-Y155 HydrophobicContact CG-CE2 3.8Å; P149-Y155 HydrophobicContact CG-CG 3.87Å; N151-Y155 WeakPolarHBondContact O-CE2 3.43Å; N151-Y155 PolarHBondContact O-OH 3.2Å; G153-Y155 WeakPolarHBondContact O-CD2 3.28Å; Y155-L177 PolarHBondContact N-O 3.09Å; Y155-L177 PolarHBondContact O-N 3.35Å; Y155-V179 HydrophobicContact CD2-CB 4.27Å; Y155-V179 HydrophobicContact CD2-CG2 3.6Å; Y155-V179 HydrophobicContact CE2-CB 4.09Å; Y155-V179 HydrophobicContact CE2-CG2 3.8Å |
| 156 | Q | 95.5 | Very high | 94.9 | Very high | 102 Ų | 102 | 52.6 Ų | 52.6 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 128.7 | -179.7 | 60.9 | 177.2 | 5.2 | 0 | 0 | 113 | G120 D121 V175 | G120-Q156 CarbonylContact C-O 3.54Å; G120-Q156 WeakPolarHBondContact CA-O 3.5Å; D121-Q156 PolarHBondContact N-O 3.37Å; D121-Q156 PolarHBondContact OD2-N 2.76Å; Q156-V175 CarbonylContact C-O 3.27Å; Q156-V175 VanDerWaalsContact CA-O 3.24Å; Q156-V175 WeakPolarHBondContact CA-O 3.47Å |
| 157 | G | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D121 W174 V175 | D121-G157 WeakPolarHBondContact O-CA 3.35Å; G157-W174 CarbonylContact O-C 3.57Å; G157-W174 WeakPolarHBondContact O-CA 3.18Å; G157-V175 PolarHBondContact N-O 3.05Å; G157-V175 PolarHBondContact O-N 3.06Å |
| 158 | Q | 97.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 57 Ų | 57 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.7 | -173.3 | -62.3 | 179.5 | -55.3 | 0 | 0 | 112 | Y117 I118 G119 V172 W174 | Y117-Q158 WeakPolarHBondContact CD2-O 3.14Å; I118-Q158 HydrophobicContact CD1-CB 4.16Å; I118-Q158 HydrophobicContact CG1-CB 3.64Å; I118-Q158 WeakPolarHBondContact CG1-O 3.12Å; I118-Q158 PolarHBondContact N-O 2.66Å; G119-Q158 WeakPolarHBondContact O-CB 3.43Å; G119-Q158 PolarHBondContact O-N 3.16Å; Q158-V172 HydrophobicContact CB-CG1 4.05Å; Q158-V172 HydrophobicContact CG-CG1 4.27Å; Q158-W174 HydrophobicContact CG-CD2 4.2Å; Q158-W174 HydrophobicContact CG-CE3 3.73Å; Q158-W174 HydrophobicContact CG-CH2 3.92Å; Q158-W174 HydrophobicContact CG-CZ2 4.32Å; Q158-W174 HydrophobicContact CG-CZ3 3.59Å |
| 159 | W | 98.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.5 | 177.4 | -65.8 | 75.6 | 0 | 0 | 0 | 110.6 | W99 L115 K116 Y117 V126 V144 M146 V172 I173 | W99-W159 HydrophobicContact CH2-CB 4.49Å; W99-W159 AromaticContact CH2-CD1 3.81Å; W99-W159 HydrophobicContact CH2-CD2 4.17Å; W99-W159 AromaticContact CH2-CG 3.92Å; W99-W159 HydrophobicContact CH2-CG 3.92Å; W99-W159 AromaticContact CZ2-CD1 3.97Å; W99-W159 HydrophobicContact CZ2-CG 4.32Å; L115-W159 HydrophobicContact CD1-CB 4.17Å; L115-W159 HydrophobicContact CD2-CB 4.36Å; L115-W159 HydrophobicContact CD2-CE3 4.21Å; L115-W159 HydrophobicContact CG-CB 4.2Å; L115-W159 HydrophobicContact CG-CE3 4.06Å; K116-W159 VanDerWaalsContact C-CE3 3.41Å; K116-W159 CarbonylContact O-C 3.52Å; K116-W159 WeakPolarHBondContact O-CA 3.34Å; Y117-W159 HydrophobicContact CD2-CZ2 4.45Å; V126-W159 HydrophobicContact CG1-CH2 4.48Å; V126-W159 WeakPolarHBondContact O-CH2 3.38Å; V144-W159 HydrophobicContact CG1-CH2 3.88Å; V144-W159 HydrophobicContact CG1-CZ2 4.15Å; V144-W159 HydrophobicContact CG2-CH2 4.29Å; V144-W159 HydrophobicContact CG2-CZ3 4.23Å; M146-W159 HydrophobicContact CE-CZ2 3.66Å; W159-V172 WeakPolarHBondContact O-CA 3.21Å; W159-I173 HydrophobicContact CB-CG1 3.96Å; W159-I173 PolarHBondContact N-O 3.5Å; W159-I173 PolarHBondContact O-N 2.94Å |
| 160 | R | 98.4 | Very high | 94.6 | Very high | 81 Ų | 81 | 56.4 Ų | 56.4 | 31% | 0.306 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 150.9 | 178.2 | -169 | 165.4 | -165.2 | -150 | 2.8 | 111.2 | K116 I118 F168 Y169 G170 | K116-R160 PolarHBondContact N-O 2.96Å; K116-R160 PolarHBondContact O-N 3.17Å; I118-R160 HydrophobicContact CD1-CB 4Å; I118-R160 HydrophobicContact CG2-CB 4.18Å; R160-F168 HydrophobicContact CB-CD1 4.1Å; R160-F168 HydrophobicContact CG-CB 4.44Å; R160-F168 HydrophobicContact CG-CD1 4.25Å; R160-Y169 VanDerWaalsContact CG-O 3.26Å; R160-Y169 WeakPolarHBondContact CG-O 3.46Å; R160-Y169 PolarHBondContact NE-O 2.94Å; R160-G170 VanDerWaalsContact CZ-O 3.24Å; R160-G170 PolarHBondContact NE-O 2.79Å; R160-G170 PolarHBondContact NH2-O 3.03Å |
| 161 | M | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 145.3 | 174.9 | -71.2 | -60 | -65.1 | 0 | 0 | 111.5 | M75 I101 W109 V113 C114 L115 V131 F168 Y169 | M75-M161 HydrophobicContact CB-CG 3.96Å; M75-M161 HydrophobicContact CE-CG 3.74Å; M75-M161 HydrophobicContact CG-CG 3.78Å; I101-M161 HydrophobicContact CD1-SD 4.12Å; W109-M161 HydrophobicContact CE3-CE 4.09Å; W109-M161 HydrophobicContact CH2-CE 4.38Å; W109-M161 HydrophobicContact CZ3-CE 3.77Å; V113-M161 HydrophobicContact CB-CE 4.11Å; V113-M161 HydrophobicContact CG2-CE 4.32Å; C114-M161 CarbonylContact O-C 3.52Å; L115-M161 HydrophobicContact CB-SD 3.82Å; L115-M161 HydrophobicContact CD1-CG 4.29Å; L115-M161 HydrophobicContact CD1-SD 3.81Å; L115-M161 HydrophobicContact CG-SD 4.45Å; V131-M161 HydrophobicContact CB-CE 3.95Å; V131-M161 HydrophobicContact CG1-CE 4.18Å; V131-M161 HydrophobicContact CG2-CE 3.98Å; V131-M161 HydrophobicContact CG2-SD 4.11Å; M161-F168 CarbonylContact O-C 3.52Å; M161-F168 VanDerWaalsContact O-CA 3.3Å; M161-F168 WeakPolarHBondContact O-CA 3.42Å; M161-Y169 HydrophobicContact CB-CD1 3.93Å; M161-Y169 HydrophobicContact CB-CD2 3.67Å; M161-Y169 HydrophobicContact CB-CE1 3.7Å; M161-Y169 HydrophobicContact CB-CE2 3.48Å; M161-Y169 VanDerWaalsContact CB-CE2 3.48Å; M161-Y169 HydrophobicContact CB-CG 3.96Å; M161-Y169 HydrophobicContact CE-CE2 4.46Å; M161-Y169 VanDerWaalsContact CE-OH 3.24Å; M161-Y169 WeakPolarHBondContact CE-OH 3.46Å; M161-Y169 HydrophobicContact CG-CE2 4.01Å; M161-Y169 PolarHBondContact O-N 3.48Å |
| 162 | C | 96.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 133.6 | -173.7 | -168.5 | 0 | 0 | 0 | 0 | 109.8 | V113 C114 K116 G166 L167 F168 | V113-C162 WeakPolarHBondContact CA-O 3.44Å; C114-C162 PolarHBondContact N-O 2.77Å; C114-C162 PolarHBondContact O-N 3.4Å; K116-C162 HydrophobicContact CB-CB 4.16Å; K116-C162 HydrophobicContact CD-CB 4.33Å; C162-G166 VanDerWaalsContact SG-C 3.54Å; C162-L167 CarbonylContact C-O 3.58Å; C162-L167 WeakPolarHBondContact CA-O 3.32Å; C162-F168 HydrophobicContact CB-CD1 3.97Å; C162-F168 HydrophobicContact CB-CE1 4.04Å |
| 163 | T | 93.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | trans | -77 | 164.6 | 175.1 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | P73 P110 A165 G166 L167 Y169 | P73-T163 HydrophobicContact CG-CG2 4.06Å; P110-T163 HydrophobicContact CG-CG2 4.41Å; T163-A165 PolarHBondContact O-N 2.93Å; T163-A165 VanDerWaalsContact O-N 3.09Å; T163-A165 PolarHBondContact OG1-N 3.19Å; T163-G166 PolarHBondContact O-N 3.17Å; T163-L167 HydrophobicContact CG2-CB 4.48Å; T163-L167 PolarHBondContact N-O 3.02Å; T163-L167 PolarHBondContact OG1-N 3.33Å; T163-Y169 HydrophobicContact CG2-CD1 3.8Å; T163-Y169 HydrophobicContact CG2-CE1 3.85Å | ||
| 164 | A | 89.5 | Confident | 95 | Very high | 82 Ų | 82 | 52.5 Ų | 52.5 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G166 | A164-G166 VanDerWaalsContact C-N 3.31Š|
| 165 | A | 87.1 | Confident | 95 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 69% | 0.694 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 0 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | T163 | T163-A165 PolarHBondContact O-N 2.93Å; T163-A165 VanDerWaalsContact O-N 3.09Å; T163-A165 PolarHBondContact OG1-N 3.19Å |
| 166 | G | 86.6 | Confident | 94.9 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 85.6 | 4.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | C162 T163 A164 | C162-G166 VanDerWaalsContact SG-C 3.54Å; T163-G166 PolarHBondContact O-N 3.17Å; A164-G166 VanDerWaalsContact C-N 3.31Å |
| 167 | L | 90.4 | Very high | 94.8 | Very high | 118 Ų | 118 | 42.9 Ų | 42.9 | 62% | 0.618 | 25% | 0.247 | S | C | * | . | trans | -80.2 | 128.4 | -179.8 | -57.9 | 177.2 | 0 | 0 | 0 | 110.7 | C162 T163 | C162-L167 CarbonylContact C-O 3.58Å; C162-L167 WeakPolarHBondContact CA-O 3.32Å; T163-L167 HydrophobicContact CG2-CB 4.48Å; T163-L167 PolarHBondContact N-O 3.02Å; T163-L167 PolarHBondContact OG1-N 3.33Å | ||
| 168 | F | 95.5 | Very high | 94.7 | Very high | 87 Ų | 87 | 43.9 Ų | 43.9 | 38% | 0.382 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 141.8 | 178.6 | -71.8 | -75.7 | 0 | 0 | 0 | 112.5 | K116 I118 R160 M161 C162 | K116-F168 HydrophobicContact CB-CE1 4.23Å; K116-F168 HydrophobicContact CD-CE1 4.04Å; K116-F168 HydrophobicContact CD-CZ 4.05Å; K116-F168 HydrophobicContact CG-CE1 4.41Å; I118-F168 HydrophobicContact CG2-CD1 4.06Å; I118-F168 HydrophobicContact CG2-CE1 3.33Å; I118-F168 HydrophobicContact CG2-CE2 4.49Å; I118-F168 HydrophobicContact CG2-CZ 3.59Å; R160-F168 HydrophobicContact CB-CD1 4.1Å; R160-F168 HydrophobicContact CG-CB 4.44Å; R160-F168 HydrophobicContact CG-CD1 4.25Å; M161-F168 CarbonylContact O-C 3.52Å; M161-F168 VanDerWaalsContact O-CA 3.3Å; M161-F168 WeakPolarHBondContact O-CA 3.42Å; C162-F168 HydrophobicContact CB-CD1 3.97Å; C162-F168 HydrophobicContact CB-CE1 4.04Å |
| 169 | Y | 95.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 168.7 | -176.4 | 71.5 | -98.2 | 0 | 0 | 0 | 113.5 | P73 M75 W109 V113 R160 M161 T163 | P73-Y169 HydrophobicContact CB-CD2 4.01Å; P73-Y169 HydrophobicContact CB-CE1 4.36Å; P73-Y169 HydrophobicContact CB-CE2 3.75Å; P73-Y169 HydrophobicContact CB-CG 4.35Å; P73-Y169 HydrophobicContact CG-CD1 3.75Å; P73-Y169 HydrophobicContact CG-CD2 4.01Å; P73-Y169 HydrophobicContact CG-CE1 3.78Å; P73-Y169 HydrophobicContact CG-CE2 4Å; P73-Y169 HydrophobicContact CG-CG 3.82Å; P73-Y169 VanDerWaalsContact O-CB 3.3Å; P73-Y169 WeakPolarHBondContact O-CB 3.49Å; P73-Y169 WeakPolarHBondContact O-CD2 3.44Å; P73-Y169 VanDerWaalsContact O-CG 3.31Å; M75-Y169 HydrophobicContact CB-CD2 4.15Å; M75-Y169 HydrophobicContact CB-CE2 3.94Å; W109-Y169 HydrophobicContact CD2-CE2 4.33Å; W109-Y169 HydrophobicContact CZ2-CE2 4.36Å; V113-Y169 HydrophobicContact CB-CE1 4.5Å; V113-Y169 WeakPolarHBondContact CB-OH 3.33Å; V113-Y169 HydrophobicContact CG1-CE1 3.92Å; V113-Y169 VanDerWaalsContact CG1-OH 3.25Å; V113-Y169 WeakPolarHBondContact CG1-OH 3.34Å; R160-Y169 VanDerWaalsContact CG-O 3.26Å; R160-Y169 WeakPolarHBondContact CG-O 3.46Å; R160-Y169 PolarHBondContact NE-O 2.94Å; M161-Y169 HydrophobicContact CB-CD1 3.93Å; M161-Y169 HydrophobicContact CB-CD2 3.67Å; M161-Y169 HydrophobicContact CB-CE1 3.7Å; M161-Y169 HydrophobicContact CB-CE2 3.48Å; M161-Y169 VanDerWaalsContact CB-CE2 3.48Å; M161-Y169 HydrophobicContact CB-CG 3.96Å; M161-Y169 HydrophobicContact CE-CE2 4.46Å; M161-Y169 VanDerWaalsContact CE-OH 3.24Å; M161-Y169 WeakPolarHBondContact CE-OH 3.46Å; M161-Y169 HydrophobicContact CG-CE2 4.01Å; M161-Y169 PolarHBondContact O-N 3.48Å; T163-Y169 HydrophobicContact CG2-CD1 3.8Å; T163-Y169 HydrophobicContact CG2-CE1 3.85Å |
| 170 | G | 95.9 | Very high | 94.4 | Very high | 19 Ų | 19 | 45 Ų | 45 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 62.5 | -165.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | M75 R160 | M75-G170 CarbonylContact O-C 3.5Å; M75-G170 WeakPolarHBondContact O-CA 3.44Å; R160-G170 VanDerWaalsContact CZ-O 3.24Å; R160-G170 PolarHBondContact NE-O 2.79Å; R160-G170 PolarHBondContact NH2-O 3.03Å |
| 171 | D | 97.9 | Very high | 93.8 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 155.9 | 179.5 | -70.3 | -21.1 | 0 | 0 | 0 | 113.5 | M75 S76 F77 I173 | M75-D171 HydrophobicContact CE-CB 4.18Å; M75-D171 WeakPolarHBondContact CE-O 3.3Å; M75-D171 PolarHBondContact O-N 2.89Å; S76-D171 VanDerWaalsContact CA-OD2 3.23Å; S76-D171 WeakPolarHBondContact CA-OD2 3.12Å; F77-D171 PolarHBondContact N-OD2 2.88Å; D171-I173 HydrophobicContact CB-CG2 4.42Å |
| 172 | V | 98.2 | Very high | 93.1 | Very high | 54 Ų | 54 | 50 Ų | 50 | 33% | 0.327 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117.2 | 161.7 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | I118 Q158 W159 W174 | I118-V172 HydrophobicContact CD1-CG1 4.14Å; I118-V172 HydrophobicContact CD1-CG2 4.04Å; Q158-V172 HydrophobicContact CB-CG1 4.05Å; Q158-V172 HydrophobicContact CG-CG1 4.27Å; W159-V172 WeakPolarHBondContact O-CA 3.21Å; V172-W174 HydrophobicContact CG1-CZ2 4.38Å; V172-W174 VanDerWaalsContact O-CD1 3.31Å; V172-W174 PolarHBondContact O-NE1 3.26Å |
| 173 | I | 97.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 153.7 | 177 | 71.1 | -176.3 | 0 | 0 | 0 | 110.4 | M75 F77 W99 I101 L115 W159 D171 | M75-I173 HydrophobicContact CE-CG2 4.06Å; F77-I173 HydrophobicContact CB-CG2 3.89Å; F77-I173 HydrophobicContact CD2-CG2 4Å; F77-I173 HydrophobicContact CG-CG2 4.17Å; W99-I173 HydrophobicContact CB-CD1 3.99Å; W99-I173 HydrophobicContact CD2-CD1 3.67Å; W99-I173 HydrophobicContact CD2-CG1 4.26Å; W99-I173 HydrophobicContact CE3-CD1 4.09Å; W99-I173 HydrophobicContact CG-CD1 3.67Å; W99-I173 HydrophobicContact CG-CG1 4.38Å; W99-I173 HydrophobicContact CZ2-CG1 4.47Å; I101-I173 HydrophobicContact CG2-CD1 4.31Å; L115-I173 HydrophobicContact CD1-CD1 3.67Å; L115-I173 HydrophobicContact CD1-CG1 4.19Å; L115-I173 HydrophobicContact CD2-CD1 3.96Å; L115-I173 HydrophobicContact CG-CD1 4.47Å; W159-I173 HydrophobicContact CB-CG1 3.96Å; W159-I173 PolarHBondContact N-O 3.5Å; W159-I173 PolarHBondContact O-N 2.94Å; D171-I173 HydrophobicContact CB-CG2 4.42Å |
| 174 | W | 96.1 | Very high | 91.9 | Very high | 99 Ų | 99 | 53.7 Ų | 53.7 | 38% | 0.375 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.7 | -163.6 | -59.9 | 75.4 | 0 | 0 | 0 | 112 | W99 G157 Q158 V172 I176 | W99-W174 PolarHBondContact NE1-O 3.19Å; G157-W174 CarbonylContact O-C 3.57Å; G157-W174 WeakPolarHBondContact O-CA 3.18Å; Q158-W174 HydrophobicContact CG-CD2 4.2Å; Q158-W174 HydrophobicContact CG-CE3 3.73Å; Q158-W174 HydrophobicContact CG-CH2 3.92Å; Q158-W174 HydrophobicContact CG-CZ2 4.32Å; Q158-W174 HydrophobicContact CG-CZ3 3.59Å; V172-W174 HydrophobicContact CG1-CZ2 4.38Å; V172-W174 VanDerWaalsContact O-CD1 3.31Å; V172-W174 PolarHBondContact O-NE1 3.26Å; W174-I176 HydrophobicContact CB-CG1 4.22Å |
| 175 | V | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.9 | 150.5 | -165.5 | 0 | 0 | 0 | 0 | 105.7 | K97 W99 F123 M146 Q156 G157 | K97-V175 HydrophobicContact CG-CG2 4.36Å; W99-V175 HydrophobicContact CH2-CG2 4.1Å; W99-V175 HydrophobicContact CZ2-CG2 3.68Å; F123-V175 HydrophobicContact CD2-CB 3.99Å; F123-V175 HydrophobicContact CD2-CG1 3.94Å; F123-V175 HydrophobicContact CD2-CG2 4.07Å; F123-V175 HydrophobicContact CE2-CB 3.66Å; F123-V175 HydrophobicContact CE2-CG1 3.73Å; F123-V175 HydrophobicContact CE2-CG2 4.21Å; F123-V175 HydrophobicContact CZ-CB 4.4Å; F123-V175 HydrophobicContact CZ-CG1 4.11Å; M146-V175 HydrophobicContact CE-CG2 3.59Å; M146-V175 HydrophobicContact SD-CG1 4.24Å; M146-V175 HydrophobicContact SD-CG2 3.71Å; Q156-V175 CarbonylContact C-O 3.27Å; Q156-V175 VanDerWaalsContact CA-O 3.24Å; Q156-V175 WeakPolarHBondContact CA-O 3.47Å; G157-V175 PolarHBondContact N-O 3.05Å; G157-V175 PolarHBondContact O-N 3.06Å |
| 176 | I | 94.1 | Very high | 91 | Very high | 70 Ų | 70 | 47.7 Ų | 47.7 | 36% | 0.359 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129 | 165 | -58.6 | 178.6 | 0 | 0 | 0 | 105.7 | M154 W174 | M154-I176 HydrophobicContact CE-CG2 3.76Å; W174-I176 HydrophobicContact CB-CG1 4.22Å |
| 177 | L | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 123.2 | -168.9 | -164.3 | 72.5 | 0 | 0 | 0 | 110.8 | I83 V89 F95 F123 M154 Y155 V179 | I83-L177 HydrophobicContact CG2-CD1 3.75Å; V89-L177 HydrophobicContact CB-CD1 3.96Å; V89-L177 HydrophobicContact CG2-CD1 3.56Å; F95-L177 HydrophobicContact CE1-CD1 4.47Å; F95-L177 HydrophobicContact CE1-CD2 3.97Å; F95-L177 HydrophobicContact CZ-CD1 4.12Å; F95-L177 HydrophobicContact CZ-CD2 4Å; F123-L177 HydrophobicContact CD1-CD2 3.81Å; F123-L177 HydrophobicContact CE1-CB 3.92Å; F123-L177 HydrophobicContact CE1-CD2 3.5Å; F123-L177 VanDerWaalsContact CE1-CD2 3.5Å; F123-L177 HydrophobicContact CE1-CG 4.36Å; F123-L177 HydrophobicContact CZ-CB 4.12Å; F123-L177 HydrophobicContact CZ-CD2 4.46Å; M154-L177 WeakPolarHBondContact CA-O 3.36Å; Y155-L177 PolarHBondContact N-O 3.09Å; Y155-L177 PolarHBondContact O-N 3.35Å; L177-V179 HydrophobicContact CD2-CG2 3.77Å; L177-V179 HydrophobicContact CG-CG2 4.13Å |
| 178 | S | 94.4 | Very high | 89.9 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.6 | 161.4 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | S88 V89 M154 E180 | S88-S178 CarbonylContact C-O 3.49Å; S88-S178 VanDerWaalsContact CA-O 3.29Å; S88-S178 WeakPolarHBondContact CA-O 3.49Å; V89-S178 PolarHBondContact N-O 2.85Å; M154-S178 VanDerWaalsContact SD-CB 3.54Å; S178-E180 WeakPolarHBondContact CB-OE1 3.32Å; S178-E180 PolarHBondContact OG-OE1 3.49Å |
| 179 | V | 95 | Very high | 89.1 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 109 | V89 P91 N151 P152 G153 Y155 L177 | V89-V179 WeakPolarHBondContact O-CA 3.31Å; P91-V179 HydrophobicContact CB-CG1 4.1Å; P91-V179 HydrophobicContact CG-CG1 3.88Å; N151-V179 WeakPolarHBondContact O-CG1 3.41Å; P152-V179 CarbonylContact C-O 3.58Å; P152-V179 WeakPolarHBondContact CA-O 3.3Å; P152-V179 VanDerWaalsContact CB-O 3.32Å; P152-V179 WeakPolarHBondContact CB-O 3.43Å; G153-V179 PolarHBondContact N-O 3.47Å; G153-V179 PolarHBondContact O-N 2.92Å; Y155-V179 HydrophobicContact CD2-CB 4.27Å; Y155-V179 HydrophobicContact CD2-CG2 3.6Å; Y155-V179 HydrophobicContact CE2-CB 4.09Å; Y155-V179 HydrophobicContact CE2-CG2 3.8Å; L177-V179 HydrophobicContact CD2-CG2 3.77Å; L177-V179 HydrophobicContact CG-CG2 4.13Å |
| 180 | E | 94.3 | Very high | 88.3 | Confident | 85 Ų | 85 | 53.1 Ų | 53.1 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | trans | -137.3 | 136.1 | -168.7 | -74.6 | 168.2 | -160.1 | 0 | 0 | 111.9 | S88 V89 P90 S178 G182 G183 | S88-E180 WeakPolarHBondContact CB-OE2 3.29Å; S88-E180 PolarHBondContact OG-OE2 3.47Å; V89-E180 PolarHBondContact O-N 2.85Å; V89-E180 VanDerWaalsContact O-N 3.07Å; P90-E180 WeakPolarHBondContact CA-O 3.19Å; S178-E180 WeakPolarHBondContact CB-OE1 3.32Å; S178-E180 PolarHBondContact OG-OE1 3.49Å; E180-G182 PolarHBondContact O-N 2.65Å; E180-G183 PolarHBondContact O-N 2.71Å | ||
| 181 | V | 86.9 | Confident | 87.4 | Confident | 129 Ų | 129 | 57 Ų | 57 | 78% | 0.782 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 80.1 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | P91 P152 | P91-V181 HydrophobicContact CG-CG2 4.21Å; P152-V181 HydrophobicContact CG-CG2 3.77Å |
| 182 | G | 83.4 | Confident | 86.4 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 131.4 | 7.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E180 | E180-G182 PolarHBondContact O-N 2.65Š|
| 183 | G | 82.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -55.7 | 145.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S88 E180 L185 G186 | S88-G183 CarbonylContact O-C 3.51Å; S88-G183 VanDerWaalsContact O-C 3.27Å; S88-G183 VanDerWaalsContact OG-CA 3.24Å; S88-G183 WeakPolarHBondContact OG-CA 3.47Å; E180-G183 PolarHBondContact O-N 2.71Å; G183-L185 VanDerWaalsContact C-N 3.27Å; G183-L185 PolarHBondContact O-N 2.98Å; G183-L185 VanDerWaalsContact O-N 3.1Å; G183-G186 PolarHBondContact O-N 3.23Å | ||
| 184 | L | 81.6 | Confident | 83.7 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -49.8 | -40.5 | -168.4 | -177.4 | 61.5 | 0 | 0 | 0 | 114.1 | S88 G186 V187 T188 | S88-L184 PolarHBondContact O-N 2.89Å; S88-L184 PolarHBondContact OG-N 2.93Å; L184-G186 PolarHBondContact O-N 3.48Å; L184-V187 PolarHBondContact O-N 3.46Å; L184-V187 VanDerWaalsContact O-N 3.08Å; L184-T188 HydrophobicContact CD1-CG2 4.23Å; L184-T188 HydrophobicContact CG-CG2 4.35Å; L184-T188 PolarHBondContact O-N 2.99Å; L184-T188 PolarHBondContact O-OG1 3.28Å |
| 185 | L | 81.1 | Confident | 82.2 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -32.6 | -179.3 | -165.8 | 76.2 | 0 | 0 | 0 | 112.9 | I83 S88 V89 F95 G183 T188 Q189 | I83-L185 HydrophobicContact CD1-CD1 3.83Å; I83-L185 HydrophobicContact CD1-CD2 4.08Å; S88-L185 PolarHBondContact O-N 2.9Å; S88-L185 VanDerWaalsContact O-N 3.16Å; V89-L185 HydrophobicContact CB-CB 4.45Å; V89-L185 HydrophobicContact CB-CD2 4.48Å; V89-L185 HydrophobicContact CG1-CB 4.43Å; V89-L185 HydrophobicContact CG1-CD2 3.86Å; V89-L185 HydrophobicContact CG2-CB 3.91Å; V89-L185 HydrophobicContact CG2-CD2 3.85Å; V89-L185 HydrophobicContact CG2-CG 4.48Å; F95-L185 HydrophobicContact CB-CD2 3.58Å; G183-L185 VanDerWaalsContact C-N 3.27Å; G183-L185 PolarHBondContact O-N 2.98Å; G183-L185 VanDerWaalsContact O-N 3.1Å; L185-T188 WeakPolarHBondContact CA-OG1 3.35Å; L185-T188 PolarHBondContact O-OG1 2.87Å; L185-Q189 VanDerWaalsContact O-CB 3.24Å; L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.01Å |
| 186 | G | 75.4 | Confident | 80.5 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 10% | 0.103 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G183 L184 Q190 | G183-G186 PolarHBondContact O-N 3.23Å; L184-G186 PolarHBondContact O-N 3.48Å; G186-Q190 WeakPolarHBondContact O-CB 3.39Å; G186-Q190 WeakPolarHBondContact O-CG 3.48Å; G186-Q190 PolarHBondContact O-N 3.06Å |
| 187 | V | 76.4 | Confident | 78.8 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | L184 Q190 L191 | L184-V187 PolarHBondContact O-N 3.46Å; L184-V187 VanDerWaalsContact O-N 3.08Å; V187-Q190 PolarHBondContact O-N 3.41Å; V187-L191 HydrophobicContact CG1-CD1 4.21Å; V187-L191 VanDerWaalsContact O-CG 3.31Å; V187-L191 WeakPolarHBondContact O-CG 3.43Å; V187-L191 PolarHBondContact O-N 2.88Å |
| 188 | T | 79.4 | Confident | 76.9 | Confident | 66 Ų | 66 | 80 Ų | 80 | 41% | 0.405 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 112 | L184 L185 L191 S192 | L184-T188 HydrophobicContact CD1-CG2 4.23Å; L184-T188 HydrophobicContact CG-CG2 4.35Å; L184-T188 PolarHBondContact O-N 2.99Å; L184-T188 PolarHBondContact O-OG1 3.28Å; L185-T188 WeakPolarHBondContact CA-OG1 3.35Å; L185-T188 PolarHBondContact O-OG1 2.87Å; T188-L191 PolarHBondContact O-N 3.42Å; T188-S192 PolarHBondContact O-N 3.45Å |
| 189 | Q | 77.4 | Confident | 75 | Confident | 108 Ų | 108 | 86.2 Ų | 86.2 | 51% | 0.505 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 174.6 | -173 | 170.4 | 72 | 0 | 0 | 111.7 | L185 L191 S192 S193 | L185-Q189 VanDerWaalsContact O-CB 3.24Å; L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.01Å; Q189-L191 PolarHBondContact O-N 3.46Å; Q189-S192 PolarHBondContact O-N 2.91Å; Q189-S192 PolarHBondContact O-OG 3.26Å; Q189-S193 PolarHBondContact O-N 2.98Å; Q189-S193 VanDerWaalsContact O-N 3.13Å; Q189-S193 PolarHBondContact O-OG 2.99Å |
| 190 | Q | 78.3 | Confident | 73 | Confident | 120 Ų | 120 | 91.1 Ų | 91.1 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.6 | -44.9 | 175.1 | -78 | 172.7 | 6.7 | 0 | 0 | 112.3 | G186 V187 S192 S193 F194 | G186-Q190 WeakPolarHBondContact O-CB 3.39Å; G186-Q190 WeakPolarHBondContact O-CG 3.48Å; G186-Q190 PolarHBondContact O-N 3.06Å; V187-Q190 PolarHBondContact O-N 3.41Å; Q190-S192 PolarHBondContact O-N 3.48Å; Q190-S193 WeakPolarHBondContact CA-OG 3.47Å; Q190-S193 PolarHBondContact O-N 3.31Å; Q190-S193 PolarHBondContact O-OG 2.68Å; Q190-F194 HydrophobicContact CB-CE2 4.49Å; Q190-F194 WeakPolarHBondContact O-CD2 3.24Å; Q190-F194 PolarHBondContact O-N 3.3Å |
| 191 | L | 77.2 | Confident | 70.7 | Confident | 101 Ų | 101 | 91.8 Ų | 91.8 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 176 | -70.7 | 169.2 | 0 | 0 | 0 | 111.9 | V187 T188 Q189 S193 F194 E195 | V187-L191 HydrophobicContact CG1-CD1 4.21Å; V187-L191 VanDerWaalsContact O-CG 3.31Å; V187-L191 WeakPolarHBondContact O-CG 3.43Å; V187-L191 PolarHBondContact O-N 2.88Å; T188-L191 PolarHBondContact O-N 3.42Å; Q189-L191 PolarHBondContact O-N 3.46Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.87Å; L191-F194 PolarHBondContact O-N 3.17Å; L191-F194 VanDerWaalsContact O-N 3.14Å; L191-E195 PolarHBondContact O-N 2.87Å; L191-E195 VanDerWaalsContact O-N 3.08Å |
| 192 | S | 76.9 | Confident | 68.8 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -31.7 | 178.5 | 71 | 0 | 0 | 0 | 0 | 113.9 | T188 Q189 Q190 T196 | T188-S192 PolarHBondContact O-N 3.45Å; Q189-S192 PolarHBondContact O-N 2.91Å; Q189-S192 PolarHBondContact O-OG 3.26Å; Q190-S192 PolarHBondContact O-N 3.48Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 PolarHBondContact O-OG1 3.01Å |
| 193 | S | 71.4 | Confident | 66.9 | Low | 57 Ų | 57 | 96.4 Ų | 96.4 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 172.9 | 38.3 | 0 | 0 | 0 | 0 | 112.2 | Q189 Q190 L191 E195 T196 E197 | Q189-S193 PolarHBondContact O-N 2.98Å; Q189-S193 VanDerWaalsContact O-N 3.13Å; Q189-S193 PolarHBondContact O-OG 2.99Å; Q190-S193 WeakPolarHBondContact CA-OG 3.47Å; Q190-S193 PolarHBondContact O-N 3.31Å; Q190-S193 PolarHBondContact O-OG 2.68Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.87Å; S193-E195 PolarHBondContact O-N 3.08Å; S193-T196 WeakPolarHBondContact O-CB 3.34Å; S193-T196 PolarHBondContact O-N 3.44Å; S193-E197 PolarHBondContact O-N 2.95Å |
| 194 | F | 68.9 | Low | 65.4 | Low | 131 Ų | 131 | 105.2 Ų | 105.2 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -38.4 | 177 | -71.5 | -57.4 | 0 | 0 | 0 | 113 | Q190 L191 T196 E197 F198 | Q190-F194 HydrophobicContact CB-CE2 4.49Å; Q190-F194 WeakPolarHBondContact O-CD2 3.24Å; Q190-F194 PolarHBondContact O-N 3.3Å; L191-F194 PolarHBondContact O-N 3.17Å; L191-F194 VanDerWaalsContact O-N 3.14Å; F194-T196 VanDerWaalsContact C-N 3.3Å; F194-T196 PolarHBondContact O-N 3.29Å; F194-E197 PolarHBondContact O-N 3.02Å; F194-F198 PolarHBondContact O-N 3.4Å |
| 195 | E | 62.9 | Low | 63.6 | Low | 139 Ų | 139 | 106.9 Ų | 106.9 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63 | -37.5 | 173.7 | -69.2 | -176 | 161.4 | 0 | 0 | 112.3 | L191 S193 F198 N199 | L191-E195 PolarHBondContact O-N 2.87Å; L191-E195 VanDerWaalsContact O-N 3.08Å; S193-E195 PolarHBondContact O-N 3.08Å; E195-F198 PolarHBondContact O-N 3.09Å; E195-N199 PolarHBondContact O-N 3.46Å |
| 196 | T | 59.7 | Low | 62.1 | Low | 92 Ų | 92 | 111.1 Ų | 111.1 | 56% | 0.564 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.5 | -39.9 | 179 | -56.8 | 0 | 0 | 0 | 0 | 112 | S192 S193 F194 N199 T200 | S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 PolarHBondContact O-OG1 3.01Å; S193-T196 WeakPolarHBondContact O-CB 3.34Å; S193-T196 PolarHBondContact O-N 3.44Å; F194-T196 VanDerWaalsContact C-N 3.3Å; F194-T196 PolarHBondContact O-N 3.29Å; T196-N199 PolarHBondContact O-N 3.08Å; T196-T200 PolarHBondContact O-OG1 3.34Å |
| 197 | E | 58.7 | Low | 60.8 | Low | 131 Ų | 131 | 118.8 Ų | 118.8 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.7 | -36.7 | 175.2 | -72 | -174.1 | 174.9 | 0 | 0 | 112.6 | S193 F194 T200 | S193-E197 PolarHBondContact O-N 2.95Å; F194-E197 PolarHBondContact O-N 3.02Å; E197-T200 PolarHBondContact O-N 3.48Å; E197-T200 PolarHBondContact O-OG1 3.27Å |
| 198 | F | 53 | Low | 59.4 | Low | 175 Ų | 175 | 118 Ų | 118 | 77% | 0.768 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.7 | -35.7 | -179.4 | -151.1 | -90.8 | 0 | 0 | 0 | 112.4 | F194 E195 T200 | F194-F198 PolarHBondContact O-N 3.4Å; E195-F198 PolarHBondContact O-N 3.09Å; F198-T200 PolarHBondContact O-N 3.26Å |
| 199 | N | 54.2 | Low | 58.3 | Low | 150 Ų | 150 | 122.9 Ų | 122.9 | 80% | 0.802 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -12.4 | 178 | -101.9 | -40.4 | 0 | 0 | 0 | 114.5 | E195 T196 | E195-N199 PolarHBondContact O-N 3.46Å; T196-N199 PolarHBondContact O-N 3.08Å |
| 200 | T | 53.7 | Low | 57.1 | Low | 105 Ų | 105 | 126.2 Ų | 126.2 | 64% | 0.644 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 5 | -177.2 | 40 | 0 | 0 | 0 | 0 | 114.8 | T196 E197 F198 | T196-T200 PolarHBondContact O-OG1 3.34Å; E197-T200 PolarHBondContact O-N 3.48Å; E197-T200 PolarHBondContact O-OG1 3.27Å; F198-T200 PolarHBondContact O-N 3.26Å |
| 201 | Q | 45.8 | Very low | 56.3 | Low | 100 Ų | 100 | 125 Ų | 125 | 47% | 0.467 | 65% | 0.648 | S | S | . | * | trans | -122.2 | 91.8 | 175.8 | -64.4 | -160.9 | -29.1 | 0 | 0 | 112.9 | Q203 R204 | Q201-Q203 PolarHBondContact O-N 3.16Å; Q201-R204 VanDerWaalsContact OE1-CZ 3.28Å | ||
| 202 | P | 46.8 | Very low | 55.1 | Low | 120 Ų | 120 | 124.9 Ų | 124.9 | 78% | 0.779 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -62.8 | -14 | -175.7 | -25.5 | 35.1 | 0 | 0 | 0 | 116.3 | ||
| 203 | Q | 44.3 | Very low | 54 | Low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | trans | -146.6 | 79.7 | -175.5 | -69.9 | -68.2 | -80.5 | 0 | 0 | 111.9 | Q201 | Q201-Q203 PolarHBondContact O-N 3.16Š| ||
| 204 | R | 49.6 | Very low | 53.3 | Low | 186 Ų | 186 | 131.3 Ų | 131.3 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | trans | -95.5 | 108.3 | 145.8 | -73.7 | -163 | -167.9 | -176.1 | 11 | 108.2 | Q201 V206 | Q201-R204 VanDerWaalsContact OE1-CZ 3.28Å; R204-V206 PolarHBondContact O-N 3.12Å | ||
| 205 | N | 44.1 | Very low | 52.2 | Low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | trans | -70.5 | 101 | 172.4 | -115.7 | -22.9 | 0 | 0 | 0 | 108.8 | Q207 | N205-Q207 PolarHBondContact O-N 3.43Š| ||
| 206 | V | 50.2 | Low | 51.5 | Low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -77.6 | 78.1 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | R204 G208 | R204-V206 PolarHBondContact O-N 3.12Å; V206-G208 VanDerWaalsContact C-N 3.29Å; V206-G208 PolarHBondContact O-N 2.72Å | ||
| 207 | Q | 47.1 | Very low | 50.8 | Low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -79.8 | 71.4 | -175 | -161.2 | 87.3 | 56.2 | 0 | 0 | 111.6 | N205 | N205-Q207 PolarHBondContact O-N 3.43Š| ||
| 208 | G | 48.8 | Very low | 49.8 | Very low | 48 Ų | 48 | 137.6 Ų | 137.6 | 50% | 0.495 | 72% | 0.723 | S | S | . | * | S | Bend | trans | 93.1 | 119.1 | 168 | 0 | 0 | 0 | 0 | 0 | 116.2 | V206 F210 | V206-G208 VanDerWaalsContact C-N 3.29Å; V206-G208 PolarHBondContact O-N 2.72Å; G208-F210 VanDerWaalsContact C-N 3.28Å; G208-F210 PolarHBondContact O-N 2.74Å |
| 209 | D | 54.9 | Low | 48.8 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | 42.5 | 29.7 | 149.3 | -56.3 | -48 | 0 | 0 | 0 | 120 | N211 | D209-N211 PolarHBondContact O-N 3.35Š| ||
| 210 | F | 52.7 | Low | 47.8 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | trans | -80.1 | 85.7 | 176.4 | -159.4 | -89 | 0 | 0 | 0 | 112.3 | G208 P212 | G208-F210 VanDerWaalsContact C-N 3.28Å; G208-F210 PolarHBondContact O-N 2.74Å; F210-P212 HydrophobicContact CE1-CB 4.3Å; F210-P212 WeakPolarHBondContact O-CD 3.42Å | ||
| 211 | N | 61 | Low | 46.9 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 50% | 0.503 | 73% | 0.733 | S | S | . | * | trans | -85.1 | 112.1 | 166.8 | 178.2 | -4.1 | 0 | 0 | 0 | 110 | D209 F213 A214 | D209-N211 PolarHBondContact O-N 3.35Å; N211-F213 PolarHBondContact O-N 3.22Å; N211-F213 VanDerWaalsContact O-N 3.12Å; N211-F213 PolarHBondContact OD1-N 3.3Å; N211-A214 HydrophobicContact CB-CB 4.04Å; N211-A214 WeakPolarHBondContact O-CB 3.48Å; N211-A214 PolarHBondContact O-N 3.24Å; N211-A214 VanDerWaalsContact O-N 3.1Å | ||
| 212 | P | 53.6 | Low | 46.5 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -9.5 | -176.6 | 29.5 | -36 | 0 | 0 | 0 | 114.4 | F210 | F210-P212 HydrophobicContact CE1-CB 4.3Å; F210-P212 WeakPolarHBondContact O-CD 3.42Å |
| 213 | F | 53.1 | Low | 45.7 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 4.8 | 175.2 | -60.3 | -78.2 | 0 | 0 | 0 | 113.4 | N211 | N211-F213 PolarHBondContact O-N 3.22Å; N211-F213 VanDerWaalsContact O-N 3.12Å; N211-F213 PolarHBondContact OD1-N 3.3Å |
| 214 | A | 56.5 | Low | 45.1 | Very low | 63 Ų | 63 | 142.3 Ų | 142.3 | 52% | 0.521 | 76% | 0.757 | S | S | . | * | trans | -80.5 | 126.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | N211 | N211-A214 HydrophobicContact CB-CB 4.04Å; N211-A214 WeakPolarHBondContact O-CB 3.48Å; N211-A214 PolarHBondContact O-N 3.24Å; N211-A214 VanDerWaalsContact O-N 3.1Å | ||
| 215 | S | 45.4 | Very low | 44.2 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -61.3 | 140.4 | 171.9 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | Q217 | S215-Q217 PolarHBondContact O-N 3.28Š| ||
| 216 | P | 47.4 | Very low | 43.5 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | -64.5 | 109.9 | -173.3 | -22.5 | 33.5 | 0 | 0 | 0 | 113.3 | ||||
| 217 | Q | 46.9 | Very low | 42.5 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -82 | 130.3 | 172.3 | -69.8 | -166.7 | -8.3 | 0 | 0 | 111.2 | S215 N219 | S215-Q217 PolarHBondContact O-N 3.28Å; Q217-N219 PolarHBondContact O-N 3.05Å | ||
| 218 | K | 35.8 | Very low | 41.7 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -93.3 | 78.7 | -169.6 | -169.8 | 179 | -176.1 | 174.8 | 0 | 111.5 | K220 | K218-K220 PolarHBondContact O-N 3.14Å; K218-K220 VanDerWaalsContact O-N 3.16Å | ||
| 219 | N | 33.9 | Very low | 40.8 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -62.9 | 114.3 | 177.8 | -77.1 | -8.7 | 0 | 0 | 0 | 111.9 | Q217 | Q217-N219 PolarHBondContact O-N 3.05Š| ||
| 220 | K | 32.8 | Very low | 39.5 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 134.5 | 162.3 | -104.9 | -176.4 | 168.6 | -171.3 | 0 | 108.5 | K218 | K218-K220 PolarHBondContact O-N 3.14Å; K218-K220 VanDerWaalsContact O-N 3.16Å |
| 221 | H | 34.5 | Very low | 39.3 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 155 | 163.5 | -84.1 | 72.6 | 0 | 0 | 0 | 110.2 | ||
| 222 | D | 36.3 | Very low | 37.9 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 157.3 | -172.3 | -84.6 | -61.2 | 0 | 0 | 0 | 115.6 | ||
| 223 | A | 30.7 | Very low | 36.7 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -148.3 | 132.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 224 | T | 32.6 | Very low | 35.5 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -75.3 | 155.9 | 179.7 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 225 | D | 29.4 | Very low | 34.2 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | 176.6 | 166.8 | 66.4 | -171.7 | 19.6 | 0 | 0 | 0 | 112 | |||||
| 226 | S | 29.4 | Very low | 33.4 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | 60.2 | 113.5 | 154.4 | 71.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 227 | S | 30.5 | Very low | 32.5 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | 5.7 | 142.1 | 145.2 | 60.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 228 | F | 29.5 | Very low | 31.6 | Very low | 189 Ų | 189 | 146 Ų | 146 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | -165.3 | 177.8 | 105.3 | -116.2 | -88.5 | 0 | 0 | 0 | 113.1 | |||||
| 229 | R | 29.7 | Very low | 31.3 | Very low | 223 Ų | 223 | 143 Ų | 143 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -70.7 | 154.8 | -158.9 | -66.4 | 169.1 | 170 | 172.2 | -5.5 | 118.8 | ||||
| 230 | D | 27.4 | Very low | 31.1 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -23.5 | 169.8 | 141.9 | -103.1 | -34 | 0 | 0 | 0 | 118.7 | ||||
| 231 | P | 49.5 | Very low | 31.1 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | -137.7 | 177.7 | -12.9 | 38.4 | -21.2 | 0 | 0 | 0 | 114.9 | ||||
| 232 | G | 29.7 | Very low | 30.9 | Very low | 79 Ų | 79 | 138.6 Ų | 138.6 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | 170.4 | 136.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 233 | G | 28.9 | Very low | 30.7 | Very low | 82 Ų | 82 | 139.6 Ų | 139.6 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -90.9 | -172.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 234 | A | 28.1 | Very low | 30.7 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | cis | -146.2 | 156.7 | 6.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 235 | W | 29.3 | Very low | 30.5 | Very low | 245 Ų | 245 | 143.5 Ų | 143.5 | 93% | 0.928 | 76% | 0.762 | S | S | * | * | 46.3 | 126.9 | 103.5 | -43.9 | -21 | 0 | 0 | 0 | 113.8 | |||||
| 236 | E | 29.3 | Very low | 30.6 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | cis | -140.5 | 144.6 | 32.9 | -78.9 | -160.9 | 90.1 | 0 | 0 | 112.5 | ||||
| 237 | R | 28.4 | Very low | 30.6 | Very low | 203 Ų | 203 | 146 Ų | 146 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | 66 | 127.7 | 88.7 | -136.1 | -145.7 | -65.5 | -128.4 | 2.1 | 111.9 | |||||
| 238 | T | 27.9 | Very low | 30.5 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | -157.1 | 179.5 | 21.3 | -25.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 239 | Q | 30.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | cis | -163.1 | 126.7 | 7.9 | -163.1 | 155.3 | -4.6 | 0 | 0 | 112.9 | ||||
| 240 | E | 29.8 | Very low | 30.6 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 56 | 163.7 | 142.7 | -67.9 | -178.2 | 95.3 | 0 | 0 | 123.4 | ||||
| 241 | P | 32.7 | Very low | 31.1 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -117.6 | 169.5 | 3.1 | 41.2 | -29.6 | 0 | 0 | 0 | 116.3 | ||||
| 242 | I | 29.8 | Very low | 30.1 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | -137.5 | 135.1 | 174.9 | -66 | 167.8 | 0 | 0 | 0 | 109 | ||||
| 243 | Q | 31 | Very low | 30.6 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -156.7 | 136.2 | 137.7 | -153.4 | 80.6 | 65.7 | 0 | 0 | 109.6 | ||||
| 244 | Q | 31.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -106.1 | 162 | 167.3 | -60.4 | 169.2 | -57.2 | 0 | 0 | 108.8 | ||||
| 245 | D | 28 | Very low | 30.9 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -140.3 | 170.3 | 140.3 | -140.2 | -45.8 | 0 | 0 | 0 | 110.1 | ||||
| 246 | Q | 32.4 | Very low | 31.4 | Very low | 135 Ų | 135 | 149 Ų | 149 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | trans | -124.3 | 177.5 | -153 | -59.9 | -177.7 | -2.7 | 0 | 0 | 115 | ||||
| 247 | N | 29.8 | Very low | 31.4 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 70.1 | 122.7 | 155.6 | -54.2 | -47.4 | 0 | 0 | 0 | 117 | ||||
| 248 | G | 28.5 | Very low | 31.7 | Very low | 66 Ų | 66 | 142.8 Ų | 142.8 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | cis | 143.6 | 160.9 | 17.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 249 | L | 29 | Very low | 31.9 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | 75.8 | 105.9 | 162.8 | -55.5 | 177.5 | 0 | 0 | 0 | 121.4 | ||||
| 250 | S | 31.6 | Very low | 31.9 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | 78.4 | 142.2 | 118.4 | -155 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 251 | H | 37.1 | Very low | 32.1 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -55.2 | 146.1 | 176.5 | -51.4 | -105.7 | 0 | 0 | 0 | 115 | ||||
| 252 | N | 29.8 | Very low | 32 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | -162.8 | 166.8 | 116 | -111 | -72.1 | 0 | 0 | 0 | 112.5 | |||||
| 253 | A | 38.9 | Very low | 32.1 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -89.9 | 158.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 254 | V | 34.4 | Very low | 32.1 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -131.3 | 141.7 | 167.3 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 255 | N | 30.3 | Very low | 32.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -86.3 | 160.6 | -165.1 | -74 | -59.8 | 0 | 0 | 0 | 115.1 | ||||
| 256 | R | 38.5 | Very low | 32.5 | Very low | 253 Ų | 253 | 136.7 Ų | 136.7 | 96% | 0.955 | 79% | 0.786 | S | S | * | * | trans | -62.5 | 134.1 | 151.6 | -81.1 | 178.6 | 163.5 | 177.8 | -5.2 | 109.9 | ||||
| 257 | A | 30.2 | Very low | 32.6 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -149.7 | 151.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 258 | S | 35.7 | Very low | 32.8 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -104.5 | 144.8 | -173.7 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 259 | N | 31.4 | Very low | 33 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | trans | 163.9 | 154.3 | 148.6 | -84.6 | -21.1 | 0 | 0 | 0 | 108.6 | ||||
| 260 | G | 30 | Very low | 33.2 | Very low | 62 Ų | 62 | 138.8 Ų | 138.8 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 153.5 | 134.1 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 261 | L | 33.4 | Very low | 33.3 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 74.5 | 121.9 | 167.7 | -56.6 | 170.2 | 0 | 0 | 0 | 119.8 | ||||
| 262 | Q | 31.9 | Very low | 33.1 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | 70.9 | 146.3 | 128.9 | -65.5 | 176.4 | -20.6 | 0 | 0 | 119.2 | |||||
| 263 | T | 31.8 | Very low | 33.3 | Very low | 107 Ų | 107 | 134 Ų | 134 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | cis | -159.7 | 160.5 | 5.8 | -1.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 264 | N | 30.9 | Very low | 33.2 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | 72.3 | 114.2 | 144 | -67.2 | -22.4 | 0 | 0 | 0 | 123.7 | ||||
| 265 | L | 31.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | 39.9 | 128.7 | 129.1 | -76.9 | 79.9 | 0 | 0 | 0 | 121.2 | |||||
| 266 | S | 35.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | -142 | 143.8 | 110.2 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 267 | V | 33.3 | Very low | 33.9 | Very low | 115 Ų | 115 | 129 Ų | 129 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | -101.2 | 134.9 | 171.4 | 167.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 268 | V | 34.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 135 Ų | 135 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -119.2 | 94.9 | 170.2 | -179.2 | 0 | 0 | 0 | 0 | 109 | Y270 | V268-Y270 HydrophobicContact CG1-CD2 3.69Å; V268-Y270 HydrophobicContact CG1-CE2 3.83Å | ||
| 269 | T | 32.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -90.4 | 118.2 | 169.8 | -58.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 270 | Y | 34.6 | Very low | 35.5 | Very low | 220 Ų | 220 | 136.3 Ų | 136.3 | 86% | 0.863 | 77% | 0.766 | S | S | * | * | trans | -126.2 | 110.6 | 159.5 | -82 | -72.4 | 0 | 0 | 0 | 109.4 | V268 | V268-Y270 HydrophobicContact CG1-CD2 3.69Å; V268-Y270 HydrophobicContact CG1-CE2 3.83Å | ||
| 271 | G | 32.3 | Very low | 36 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | -127.4 | 118 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 272 | Q | 34.5 | Very low | 36.5 | Very low | 203 Ų | 203 | 139.3 Ų | 139.3 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | trans | -161.6 | 131.1 | 144.3 | -114.4 | 173.7 | -29.1 | 0 | 0 | 108.8 | ||||
| 273 | G | 32.4 | Very low | 37.3 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | -82.5 | 154.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 274 | I | 37.8 | Very low | 37.5 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -120.4 | 122.8 | 164.2 | -61 | -178.4 | 0 | 0 | 0 | 107.7 | ||||
| 275 | H | 34.7 | Very low | 37.9 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | trans | -87 | 124.9 | -179 | -156.1 | -88.4 | 0 | 0 | 0 | 109 | ||||
| 276 | G | 34.6 | Very low | 38.3 | Very low | 54 Ų | 54 | 143.1 Ų | 143.1 | 56% | 0.557 | 83% | 0.826 | S | S | * | * | trans | -150.1 | 114.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 277 | P | 47.9 | Very low | 38.4 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -88 | 135.5 | -177 | 33.3 | -32.9 | 0 | 0 | 0 | 112.6 | ||||
| 278 | Y | 39.6 | Very low | 38.7 | Very low | 228 Ų | 228 | 146.9 Ų | 146.9 | 89% | 0.894 | 84% | 0.837 | S | S | * | * | trans | -116 | 108.9 | 169.4 | -78.2 | -79.9 | 0 | 0 | 0 | 110.7 | ||||
| 279 | P | 53 | Low | 39 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 72% | 0.721 | 85% | 0.847 | S | S | * | * | trans | -92.4 | 141.2 | 174 | 34.3 | -31.6 | 0 | 0 | 0 | 112.8 | ||||
| 280 | F | 39.9 | Very low | 39.5 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 87% | 0.873 | 86% | 0.856 | S | S | * | * | trans | 30.7 | 119.1 | 151.9 | -72 | -86.6 | 0 | 0 | 0 | 121 | ||||
| 281 | G | 40.3 | Very low | 39.8 | Very low | 84 Ų | 84 | 146.1 Ų | 146.1 | 87% | 0.866 | 86% | 0.856 | S | S | * | * | trans | -131.1 | 118.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 282 | K | 42.4 | Very low | 40.5 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.835 | 87% | 0.871 | S | S | * | * | trans | -105.6 | 138.6 | 166.9 | -81.5 | -168.1 | 176 | -171.8 | 0 | 109.3 | ||||
| 283 | S | 48.5 | Very low | 41 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 100% | 1.413 | 86% | 0.864 | S | S | * | * | trans | -153.5 | 0 | 147.1 | -78.2 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 283 of 283 residues in 148.9 ms
(Link to these results)