| 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 | 31.9 | Very low | 35.7 | Very low | 218 Ų | 218 | 151.6 Ų | 151.6 | 100% | 1.074 | 73% | 0.734 | S | S | * | * | 0 | 116.7 | 0 | -98.1 | -175.9 | 170.2 | 0 | 0 | 108.8 | |||||
| 2 | F | 33.1 | Very low | 36.6 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 65% | 0.645 | 73% | 0.732 | S | S | * | * | trans | 64.5 | 88.1 | 152.9 | -47.1 | -58.5 | 0 | 0 | 0 | 120.4 | Y4 | F2-Y4 HydrophobicContact CB-CD2 3.89Å; F2-Y4 HydrophobicContact CB-CE2 4.12Å; F2-Y4 HydrophobicContact CD1-CD2 4.05Å; F2-Y4 AromaticContact CD1-CE2 3.37Å; F2-Y4 HydrophobicContact CD1-CE2 3.37Å; F2-Y4 HydrophobicContact CE1-CE2 4.13Å; F2-Y4 HydrophobicContact CG-CD2 4.29Å; F2-Y4 HydrophobicContact CG-CE2 4.02Å | ||
| 3 | R | 32 | Very low | 37 | Very low | 251 Ų | 251 | 144.5 Ų | 144.5 | 95% | 0.947 | 71% | 0.706 | S | S | * | * | trans | -83 | 108.2 | 146.4 | -78.2 | 177.7 | 173.4 | 154.5 | -2.7 | 107.9 | ||||
| 4 | Y | 33.5 | Very low | 37.7 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | trans | -131.8 | 56.6 | 168.6 | -76.6 | -65.8 | 0 | 0 | 0 | 110.5 | F2 | F2-Y4 HydrophobicContact CB-CD2 3.89Å; F2-Y4 HydrophobicContact CB-CE2 4.12Å; F2-Y4 HydrophobicContact CD1-CD2 4.05Å; F2-Y4 AromaticContact CD1-CE2 3.37Å; F2-Y4 HydrophobicContact CD1-CE2 3.37Å; F2-Y4 HydrophobicContact CE1-CE2 4.13Å; F2-Y4 HydrophobicContact CG-CD2 4.29Å; F2-Y4 HydrophobicContact CG-CE2 4.02Å | ||
| 5 | L | 40.8 | Very low | 38.5 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 86% | 0.859 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -137.1 | 21.9 | 177.8 | -109.9 | 109.9 | 0 | 0 | 0 | 114.1 | ||
| 6 | N | 33 | Very low | 39.3 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -145.6 | 7.9 | -178.1 | -112.9 | -28.3 | 0 | 0 | 0 | 116.3 | ||
| 7 | D | 31.2 | Very low | 40 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 86% | 0.856 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -100 | 0.8 | -176.1 | -125.8 | -100.4 | 0 | 0 | 0 | 113.6 | ||
| 8 | V | 39.8 | Very low | 40.7 | Very low | 108 Ų | 108 | 118 Ų | 118 | 66% | 0.655 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -103 | -14.2 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 112 | ||
| 9 | D | 40.2 | Very low | 41.5 | Very low | 81 Ų | 81 | 113.4 Ų | 113.4 | 43% | 0.433 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | -10 | -179.3 | -71.9 | -79.4 | 0 | 0 | 0 | 113.9 | ||
| 10 | D | 37.4 | Very low | 42.1 | Very low | 146 Ų | 146 | 109 Ų | 109 | 78% | 0.781 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 22.1 | -172.2 | -132.9 | -68.7 | 0 | 0 | 0 | 113.9 | P12 | D10-P12 WeakPolarHBondContact O-CD 3.22Š|
| 11 | N | 39.7 | Very low | 42.8 | Very low | 68 Ų | 68 | 104.3 Ų | 104.3 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | trans | -94.8 | 114 | 167.7 | -147.1 | -13 | 0 | 0 | 0 | 108 | Y13 M14 M15 | N11-Y13 PolarHBondContact O-N 3.39Å; N11-M14 HydrophobicContact CB-CB 3.89Å; N11-M14 HydrophobicContact CB-CG 4.08Å; N11-M14 CarbonylContact O-C 3.59Å; N11-M14 PolarHBondContact O-N 3.37Å; N11-M15 PolarHBondContact O-N 2.95Å; N11-M15 VanDerWaalsContact O-N 3.11Å | ||
| 12 | P | 46.4 | Very low | 43.9 | Very low | 109 Ų | 109 | 101.1 Ų | 101.1 | 71% | 0.708 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.8 | -179.6 | 22.1 | -32.7 | 0 | 0 | 0 | 112.7 | D10 | D10-P12 WeakPolarHBondContact O-CD 3.22Š|
| 13 | Y | 41.7 | Very low | 45 | Very low | 102 Ų | 102 | 101 Ų | 101 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -18.2 | 174.2 | -66.7 | -84.7 | 0 | 0 | 0 | 115.1 | N11 | N11-Y13 PolarHBondContact O-N 3.39Š|
| 14 | M | 47.2 | Very low | 46 | Very low | 79 Ų | 79 | 94 Ų | 94 | 39% | 0.389 | 48% | 0.475 | S | S | . | . | trans | -115.1 | 20.4 | 179.1 | -57.2 | -175.3 | 161.1 | 0 | 0 | 112.8 | N11 D16 | N11-M14 HydrophobicContact CB-CB 3.89Å; N11-M14 HydrophobicContact CB-CG 4.08Å; N11-M14 CarbonylContact O-C 3.59Å; N11-M14 PolarHBondContact O-N 3.37Å; M14-D16 PolarHBondContact O-N 3.24Å | ||
| 15 | M | 49.7 | Very low | 46.8 | Very low | 99 Ų | 99 | 87.5 Ų | 87.5 | 49% | 0.488 | 45% | 0.453 | S | S | . | . | trans | -47.2 | 116.6 | 169.8 | -133.2 | -62 | 138 | 0 | 0 | 107.8 | N11 P17 R130 | N11-M15 PolarHBondContact O-N 2.95Å; N11-M15 VanDerWaalsContact O-N 3.11Å; M15-P17 WeakPolarHBondContact O-CD 3.48Å; M15-R130 PolarHBondContact O-NH2 2.94Å | ||
| 16 | D | 52 | Low | 47.3 | Very low | 36 Ų | 36 | 89.4 Ų | 89.4 | 19% | 0.193 | 45% | 0.448 | C | S | . | . | trans | -55.5 | 107.5 | -171.5 | 177.7 | 17.3 | 0 | 0 | 0 | 108.8 | M14 F18 A19 R22 | M14-D16 PolarHBondContact O-N 3.24Å; D16-F18 PolarHBondContact O-N 3.21Å; D16-F18 VanDerWaalsContact O-N 3.09Å; D16-F18 WeakPolarHBondContact OD1-CA 3.39Å; D16-F18 WeakPolarHBondContact OD1-CB 3.41Å; D16-F18 WeakPolarHBondContact OD1-CD2 3.09Å; D16-F18 WeakPolarHBondContact OD1-CG 3.42Å; D16-F18 PolarHBondContact OD1-N 3.43Å; D16-A19 HydrophobicContact CB-CB 3.88Å; D16-A19 VanDerWaalsContact O-CB 3.32Å; D16-A19 WeakPolarHBondContact O-CB 3.32Å; D16-A19 PolarHBondContact O-N 3.3Å; D16-A19 PolarHBondContact OD2-N 3.26Å; D16-R22 IonicContact OD2-CZ 3.64Å; D16-R22 IonicContact OD2-NH2 2.63Å; D16-R22 PolarHBondContact OD2-NH2 3.33Å | ||
| 17 | P | 50.2 | Low | 48.1 | Very low | 11 Ų | 11 | 86.8 Ų | 86.8 | 7% | 0.071 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.1 | -26.7 | 178.4 | 21.6 | -26.1 | 0 | 0 | 0 | 109.7 | M15 A19 Q21 S132 | M15-P17 WeakPolarHBondContact O-CD 3.48Å; P17-A19 VanDerWaalsContact C-N 3.3Å; P17-A19 PolarHBondContact O-N 3.09Å; P17-Q21 VanDerWaalsContact O-CB 3.3Å; P17-Q21 WeakPolarHBondContact O-CB 3.35Å; P17-Q21 PolarHBondContact O-N 2.91Å; P17-Q21 VanDerWaalsContact O-N 3.12Å; P17-S132 VanDerWaalsContact CG-OG 3.29Å; P17-S132 WeakPolarHBondContact CG-OG 3.24Å |
| 18 | F | 52.8 | Low | 48.7 | Very low | 20 Ų | 20 | 84.1 Ų | 84.1 | 9% | 0.088 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -76.6 | -10.8 | 175.2 | -45.6 | -63.5 | 0 | 0 | 0 | 113.1 | D16 R22 Q114 T116 S132 R134 | D16-F18 PolarHBondContact O-N 3.21Å; D16-F18 VanDerWaalsContact O-N 3.09Å; D16-F18 WeakPolarHBondContact OD1-CA 3.39Å; D16-F18 WeakPolarHBondContact OD1-CB 3.41Å; D16-F18 WeakPolarHBondContact OD1-CD2 3.09Å; D16-F18 WeakPolarHBondContact OD1-CG 3.42Å; D16-F18 PolarHBondContact OD1-N 3.43Å; F18-R22 WeakPolarHBondContact O-CA 3.43Å; F18-R22 WeakPolarHBondContact O-CB 3.11Å; F18-R22 WeakPolarHBondContact O-CG 3.39Å; F18-R22 PolarHBondContact O-N 3.11Å; F18-R22 PolarHBondContact O-NE 3.25Å; F18-Q114 HydrophobicContact CD1-CG 4.05Å; F18-Q114 HydrophobicContact CE1-CG 3.52Å; F18-Q114 HydrophobicContact CZ-CG 4.23Å; F18-T116 WeakPolarHBondContact CE1-OG1 3.48Å; F18-S132 WeakPolarHBondContact CE1-OG 3.43Å; F18-S132 VanDerWaalsContact CZ-OG 3.28Å; F18-S132 WeakPolarHBondContact CZ-OG 3.44Å; F18-R134 HydrophobicContact CE2-CB 4.34Å; F18-R134 HydrophobicContact CZ-CB 4.28Å |
| 19 | A | 56.4 | Low | 48.9 | Very low | 31 Ų | 31 | 85.6 Ų | 85.6 | 26% | 0.256 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -76.1 | -51.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D16 P17 Q21 R22 Q23 | D16-A19 HydrophobicContact CB-CB 3.88Å; D16-A19 VanDerWaalsContact O-CB 3.32Å; D16-A19 WeakPolarHBondContact O-CB 3.32Å; D16-A19 PolarHBondContact O-N 3.3Å; D16-A19 PolarHBondContact OD2-N 3.26Å; P17-A19 VanDerWaalsContact C-N 3.3Å; P17-A19 PolarHBondContact O-N 3.09Å; A19-Q21 VanDerWaalsContact C-N 3.32Å; A19-Q21 PolarHBondContact O-N 2.79Å; A19-R22 PolarHBondContact O-N 3.33Å; A19-Q23 VanDerWaalsContact O-CG 3.31Å; A19-Q23 WeakPolarHBondContact O-CG 3.3Å; A19-Q23 PolarHBondContact O-N 2.9Å |
| 20 | A | 53.5 | Low | 48.7 | Very low | 24 Ų | 24 | 84.2 Ų | 84.2 | 20% | 0.198 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q23 Q24 N199 | A20-Q23 WeakPolarHBondContact O-CB 3.28Å; A20-Q23 PolarHBondContact O-N 3.32Å; A20-Q24 PolarHBondContact O-N 2.75Å; A20-N199 HydrophobicContact CB-CB 4.49Å |
| 21 | Q | 56.5 | Low | 48.6 | Very low | 11 Ų | 11 | 82.1 Ų | 82.1 | 5% | 0.051 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -72.3 | -36 | 175.9 | -162.7 | -146.5 | -38.7 | 0 | 0 | 112.7 | P17 A19 Q23 Q24 M25 T98 T116 | P17-Q21 VanDerWaalsContact O-CB 3.3Å; P17-Q21 WeakPolarHBondContact O-CB 3.35Å; P17-Q21 PolarHBondContact O-N 2.91Å; P17-Q21 VanDerWaalsContact O-N 3.12Å; A19-Q21 VanDerWaalsContact C-N 3.32Å; A19-Q21 PolarHBondContact O-N 2.79Å; Q21-Q23 PolarHBondContact O-N 3.49Å; Q21-Q24 PolarHBondContact O-N 3.23Å; Q21-M25 HydrophobicContact CG-CG 4.44Å; Q21-M25 VanDerWaalsContact O-CB 3.28Å; Q21-M25 WeakPolarHBondContact O-CB 3.44Å; Q21-M25 WeakPolarHBondContact O-CG 3.39Å; Q21-M25 PolarHBondContact O-N 2.88Å; Q21-T98 PolarHBondContact NE2-OG1 2.86Å; Q21-T98 VanDerWaalsContact NE2-OG1 3.15Å; Q21-T98 PolarHBondContact OE1-OG1 2.92Å; Q21-T116 PolarHBondContact OE1-OG1 2.9Å |
| 22 | R | 55.1 | Low | 48.6 | Very low | 152 Ų | 152 | 85.8 Ų | 85.8 | 57% | 0.574 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.3 | -34.8 | 170.6 | -87.4 | 179.9 | -87.4 | -173 | -7.6 | 111 | D16 F18 A19 R26 | D16-R22 IonicContact OD2-CZ 3.64Å; D16-R22 IonicContact OD2-NH2 2.63Å; D16-R22 PolarHBondContact OD2-NH2 3.33Å; F18-R22 WeakPolarHBondContact O-CA 3.43Å; F18-R22 WeakPolarHBondContact O-CB 3.11Å; F18-R22 WeakPolarHBondContact O-CG 3.39Å; F18-R22 PolarHBondContact O-N 3.11Å; F18-R22 PolarHBondContact O-NE 3.25Å; A19-R22 PolarHBondContact O-N 3.33Å; R22-R26 WeakPolarHBondContact O-CA 3.45Å; R22-R26 WeakPolarHBondContact O-CB 3.48Å; R22-R26 PolarHBondContact O-N 2.93Å |
| 23 | Q | 56 | Low | 48.2 | Very low | 143 Ų | 143 | 84.2 Ų | 84.2 | 67% | 0.668 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.9 | -43.8 | 174 | -73.6 | 173.5 | -23.4 | 0 | 0 | 111.6 | A19 A20 Q21 R26 S27 | A19-Q23 VanDerWaalsContact O-CG 3.31Å; A19-Q23 WeakPolarHBondContact O-CG 3.3Å; A19-Q23 PolarHBondContact O-N 2.9Å; A20-Q23 WeakPolarHBondContact O-CB 3.28Å; A20-Q23 PolarHBondContact O-N 3.32Å; Q21-Q23 PolarHBondContact O-N 3.49Å; Q23-R26 CarbonylContact O-C 3.53Å; Q23-R26 PolarHBondContact O-N 3.29Å; Q23-S27 PolarHBondContact O-N 2.88Å |
| 24 | Q | 52.6 | Low | 48.1 | Very low | 105 Ų | 105 | 89.4 Ų | 89.4 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 177 | -167.6 | 179.5 | -65 | 0 | 0 | 112.6 | A20 Q21 R26 S27 L28 | A20-Q24 PolarHBondContact O-N 2.75Å; Q21-Q24 PolarHBondContact O-N 3.23Å; Q24-R26 VanDerWaalsContact C-N 3.32Å; Q24-S27 PolarHBondContact O-N 2.83Å; Q24-S27 PolarHBondContact O-OG 2.82Å; Q24-L28 WeakPolarHBondContact O-CG 3.07Å; Q24-L28 PolarHBondContact O-N 2.92Å |
| 25 | M | 50.2 | Low | 47.6 | Very low | 56 Ų | 56 | 93.2 Ų | 93.2 | 28% | 0.276 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 171 | -76.7 | -76.6 | -162.5 | 0 | 0 | 110 | Q21 S27 L28 F29 I100 | Q21-M25 HydrophobicContact CG-CG 4.44Å; Q21-M25 VanDerWaalsContact O-CB 3.28Å; Q21-M25 WeakPolarHBondContact O-CB 3.44Å; Q21-M25 WeakPolarHBondContact O-CG 3.39Å; Q21-M25 PolarHBondContact O-N 2.88Å; M25-S27 VanDerWaalsContact C-N 3.28Å; M25-S27 PolarHBondContact O-N 3.37Å; M25-L28 PolarHBondContact O-N 2.95Å; M25-F29 HydrophobicContact CB-CD2 4.35Å; M25-F29 WeakPolarHBondContact O-CA 3.46Å; M25-F29 VanDerWaalsContact O-CB 3.25Å; M25-F29 WeakPolarHBondContact O-CB 3.37Å; M25-F29 WeakPolarHBondContact O-CD2 3.42Å; M25-F29 PolarHBondContact O-N 3.32Å; M25-F29 HydrophobicContact SD-CD2 3.79Å; M25-F29 HydrophobicContact SD-CE2 3.42Å; M25-F29 WeakPolarHBondContact SD-CE2 3.34Å; M25-I100 HydrophobicContact CE-CD1 4.29Å |
| 26 | R | 51.3 | Low | 47.2 | Very low | 203 Ų | 203 | 93.9 Ų | 93.9 | 77% | 0.766 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.2 | -26.3 | 175.2 | -173.2 | 172.5 | -178.1 | 164.9 | 1.1 | 112.4 | R22 Q23 Q24 G30 | R22-R26 WeakPolarHBondContact O-CA 3.45Å; R22-R26 WeakPolarHBondContact O-CB 3.48Å; R22-R26 PolarHBondContact O-N 2.93Å; Q23-R26 CarbonylContact O-C 3.53Å; Q23-R26 PolarHBondContact O-N 3.29Å; Q24-R26 VanDerWaalsContact C-N 3.32Å; R26-G30 WeakPolarHBondContact O-CA 3.48Å; R26-G30 PolarHBondContact O-N 2.99Å |
| 27 | S | 49.9 | Very low | 47 | Very low | 79 Ų | 79 | 100.9 Ų | 100.9 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.5 | -34.8 | 170.4 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | Q23 Q24 M25 | Q23-S27 PolarHBondContact O-N 2.88Å; Q24-S27 PolarHBondContact O-N 2.83Å; Q24-S27 PolarHBondContact O-OG 2.82Å; M25-S27 VanDerWaalsContact C-N 3.28Å; M25-S27 PolarHBondContact O-N 3.37Å |
| 28 | L | 44.9 | Very low | 46.4 | Very low | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -78.6 | -38.3 | 178.5 | -66.6 | 172.1 | 0 | 0 | 0 | 113.1 | Q24 M25 | Q24-L28 WeakPolarHBondContact O-CG 3.07Å; Q24-L28 PolarHBondContact O-N 2.92Å; M25-L28 PolarHBondContact O-N 2.95Å |
| 29 | F | 42.4 | Very low | 46 | Very low | 139 Ų | 139 | 112.8 Ų | 112.8 | 61% | 0.61 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -94.7 | -16.7 | 178.3 | -73.8 | -91.3 | 0 | 0 | 0 | 113 | M25 S31 F32 | M25-F29 HydrophobicContact CB-CD2 4.35Å; M25-F29 WeakPolarHBondContact O-CA 3.46Å; M25-F29 VanDerWaalsContact O-CB 3.25Å; M25-F29 WeakPolarHBondContact O-CB 3.37Å; M25-F29 WeakPolarHBondContact O-CD2 3.42Å; M25-F29 PolarHBondContact O-N 3.32Å; M25-F29 HydrophobicContact SD-CD2 3.79Å; M25-F29 HydrophobicContact SD-CE2 3.42Å; M25-F29 WeakPolarHBondContact SD-CE2 3.34Å; F29-S31 VanDerWaalsContact C-N 3.32Å; F29-F32 PolarHBondContact O-N 2.82Å |
| 30 | G | 36 | Very low | 45.1 | Very low | 51 Ų | 51 | 116.8 Ų | 116.8 | 53% | 0.526 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -76.5 | -19.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R26 F32 | R26-G30 WeakPolarHBondContact O-CA 3.48Å; R26-G30 PolarHBondContact O-N 2.99Å; G30-F32 PolarHBondContact O-N 3.05Å |
| 31 | S | 35.2 | Very low | 44.9 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -10.6 | 170.8 | -166 | 0 | 0 | 0 | 0 | 113 | F29 | F29-S31 VanDerWaalsContact C-N 3.32Š|
| 32 | F | 40.4 | Very low | 43.8 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 63% | 0.632 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -106.6 | 91.8 | 166.6 | -67.1 | -84.6 | 0 | 0 | 0 | 106.6 | F29 G30 Y34 | F29-F32 PolarHBondContact O-N 2.82Å; G30-F32 PolarHBondContact O-N 3.05Å; F32-Y34 PolarHBondContact O-N 3.3Å |
| 33 | G | 37.8 | Very low | 43.2 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | trans | -60.6 | 71.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 34 | Y | 39.8 | Very low | 42.2 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | -111.6 | 88.1 | 170.3 | -84.9 | -84.6 | 0 | 0 | 0 | 107.7 | F32 P36 | F32-Y34 PolarHBondContact O-N 3.3Å; Y34-P36 WeakPolarHBondContact O-CD 2.96Å | ||
| 35 | E | 37 | Very low | 42.5 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | -57.2 | 121 | 153.9 | -60.4 | -168.9 | 148.5 | 0 | 0 | 107.7 | F37 | E35-F37 PolarHBondContact O-N 3.47Š| ||
| 36 | P | 41.2 | Very low | 42.2 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -83.7 | 31.6 | -179.2 | 35.9 | -34.9 | 0 | 0 | 0 | 111.8 | Y34 | Y34-P36 WeakPolarHBondContact O-CD 2.96Š|
| 37 | F | 47.5 | Very low | 41.4 | Very low | 182 Ų | 182 | 137 Ų | 137 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | -147.4 | 101.2 | 164.9 | -71.3 | -75.6 | 0 | 0 | 0 | 108.5 | E35 | E35-F37 PolarHBondContact O-N 3.47Š| ||
| 38 | P | 38.2 | Very low | 41.1 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | -135.1 | 151.6 | 110.5 | 30.4 | -15.7 | 0 | 0 | 0 | 113.6 | |||||
| 39 | L | 43.9 | Very low | 40.9 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | trans | -48.9 | 135.8 | 176.4 | -65.6 | 99.1 | 0 | 0 | 0 | 113.9 | ||||
| 40 | S | 38.1 | Very low | 41 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 166 | 150 | 119.4 | 47 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 41 | P | 49.9 | Very low | 41.1 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -94.5 | 128.1 | -170.6 | 34.9 | -27.8 | 0 | 0 | 0 | 111.1 | ||||
| 42 | Q | 33.2 | Very low | 41.5 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -143.4 | 117 | 164 | -158.6 | 167.1 | -4.7 | 0 | 0 | 112.5 | ||||
| 43 | I | 42.6 | Very low | 41.3 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 133.4 | 176.4 | -64.5 | 151 | 0 | 0 | 0 | 110.7 | ||||
| 44 | Q | 34.2 | Very low | 41.3 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | 168.6 | 137.5 | 126.8 | -90.4 | 179.3 | 24.1 | 0 | 0 | 112 | |||||
| 45 | P | 58.6 | Low | 41.1 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -95.4 | 154.9 | 174.9 | 37 | -30.5 | 0 | 0 | 0 | 111.8 | ||||
| 46 | P | 44.3 | Very low | 41.5 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | -151.2 | 146.1 | 124.9 | 31 | -10.8 | 0 | 0 | 0 | 117.5 | |||||
| 47 | R | 34.5 | Very low | 41.3 | Very low | 238 Ų | 238 | 140.8 Ų | 140.8 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 61.4 | 113.8 | 139.6 | -68.1 | -173.4 | 170.4 | 114.1 | -0.2 | 121.2 | ||||
| 48 | A | 42.9 | Very low | 41 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -67.1 | 155 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 49 | P | 40.8 | Very low | 41.3 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -113.7 | 131.8 | 142.4 | 31.7 | -19.6 | 0 | 0 | 0 | 110.8 | L51 | P49-L51 PolarHBondContact O-N 2.9Š| ||
| 50 | H | 44.5 | Very low | 41 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -67.7 | 119.6 | 168.2 | -176 | 115.9 | 0 | 0 | 0 | 109.2 | ||||
| 51 | L | 38.8 | Very low | 41 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -123 | 112.3 | 161.3 | -91.5 | 162.7 | 0 | 0 | 0 | 108.1 | P49 | P49-L51 PolarHBondContact O-N 2.9Š| ||
| 52 | Q | 44.1 | Very low | 40.7 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -87.9 | 105 | 174.9 | -159.4 | -178 | 90 | 0 | 0 | 107.3 | ||||
| 53 | A | 34.3 | Very low | 41 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -162.1 | 120 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | A55 | A53-A55 PolarHBondContact O-N 2.81Š| ||
| 54 | G | 38.9 | Very low | 41 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 19.8 | 94.5 | 169 | 0 | 0 | 0 | 0 | 0 | 117.3 | L56 | G54-L56 PolarHBondContact O-N 2.85Š| ||
| 55 | A | 35.2 | Very low | 41.2 | Very low | 81 Ų | 81 | 128 Ų | 128 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -67.3 | 83.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.8 | A53 Q57 | A53-A55 PolarHBondContact O-N 2.81Å; A55-Q57 HydrophobicContact CB-CG 4.15Å; A55-Q57 PolarHBondContact O-N 2.84Å | ||
| 56 | L | 45.9 | Very low | 40.4 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | -63.5 | 83.6 | 147.2 | -89.4 | 142.2 | 0 | 0 | 0 | 105.9 | G54 P58 | G54-L56 PolarHBondContact O-N 2.85Å; L56-P58 WeakPolarHBondContact O-CD 3.37Å | ||
| 57 | Q | 35.8 | Very low | 40.7 | Very low | 140 Ų | 140 | 119.5 Ų | 119.5 | 65% | 0.654 | 72% | 0.72 | S | S | * | * | trans | -63.6 | 108.5 | 166.6 | -69.4 | -73.4 | -25.1 | 0 | 0 | 106.7 | A55 F59 | A55-Q57 HydrophobicContact CB-CG 4.15Å; A55-Q57 PolarHBondContact O-N 2.84Å; Q57-F59 PolarHBondContact O-N 3.07Å | ||
| 58 | P | 42.7 | Very low | 41.4 | Very low | 120 Ų | 120 | 110.4 Ų | 110.4 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 1 | 176.1 | 27.1 | -19.3 | 0 | 0 | 0 | 111.8 | L56 | L56-P58 WeakPolarHBondContact O-CD 3.37Š|
| 59 | F | 44.7 | Very low | 41.8 | Very low | 141 Ų | 141 | 113.1 Ų | 113.1 | 62% | 0.618 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 6.5 | -170.5 | -97.8 | -94.5 | 0 | 0 | 0 | 114.5 | Q57 V99 | Q57-F59 PolarHBondContact O-N 3.07Å; F59-V99 HydrophobicContact CZ-CG1 4.24Å |
| 60 | G | 35.9 | Very low | 42.7 | Very low | 65 Ų | 65 | 113.2 Ų | 113.2 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -93.5 | 1.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 61 | M | 39.3 | Very low | 43.4 | Very low | 184 Ų | 184 | 107.7 Ų | 107.7 | 91% | 0.906 | 65% | 0.654 | S | S | * | * | trans | -124.9 | 22.1 | -171.6 | -100.7 | -111.9 | 143 | 0 | 0 | 113.9 | G63 | M61-G63 VanDerWaalsContact C-N 3.28Å; M61-G63 PolarHBondContact O-N 3.39Å | ||
| 62 | M | 43.9 | Very low | 44.6 | Very low | 99 Ų | 99 | 101.9 Ų | 101.9 | 49% | 0.488 | 62% | 0.622 | S | S | . | * | trans | -96.7 | 45 | 174 | -156.2 | 92.7 | 174.7 | 0 | 0 | 111 | ||||
| 63 | G | 39.5 | Very low | 45.5 | Very low | 63 Ų | 63 | 96.3 Ų | 96.3 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -116.3 | 125.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.3 | M61 | M61-G63 VanDerWaalsContact C-N 3.28Å; M61-G63 PolarHBondContact O-N 3.39Å |
| 64 | M | 41.3 | Very low | 47.1 | Very low | 198 Ų | 198 | 98.4 Ų | 98.4 | 98% | 0.975 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 64.4 | 90.6 | 169.9 | -85.1 | -111.6 | 147 | 0 | 0 | 116.5 | G66 | M64-G66 PolarHBondContact O-N 3.42Š|
| 65 | G | 38.7 | Very low | 48.4 | Very low | 95 Ų | 95 | 95.4 Ų | 95.4 | 98% | 0.979 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 89.3 | -10.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 66 | G | 42.4 | Very low | 49.9 | Very low | 33 Ų | 33 | 92.5 Ų | 92.5 | 34% | 0.34 | 55% | 0.549 | S | S | . | . | trans | -113.4 | -23.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | M64 F68 M69 D70 | M64-G66 PolarHBondContact O-N 3.42Å; G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 3.38Å; G66-F68 VanDerWaalsContact O-N 3.11Å; G66-M69 PolarHBondContact O-N 3.1Å; G66-D70 PolarHBondContact O-N 3.07Å | ||
| 67 | G | 51.5 | Low | 51.1 | Low | 15 Ų | 15 | 86.3 Ų | 86.3 | 16% | 0.155 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -67.3 | -19.6 | -162.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 68 | F | 49 | Very low | 52.8 | Low | 46 Ų | 46 | 85.7 Ų | 85.7 | 20% | 0.202 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -76.3 | -44.3 | 176.6 | -71.8 | -86.7 | 0 | 0 | 0 | 111.3 | G66 F72 Q131 M133 R142 | G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 3.38Å; G66-F68 VanDerWaalsContact O-N 3.11Å; F68-F72 WeakPolarHBondContact O-CD2 3.16Å; F68-F72 PolarHBondContact O-N 3.4Å; F68-Q131 PolarHBondContact O-NE2 2.88Å; F68-M133 HydrophobicContact CZ-SD 4.3Å; F68-R142 HydrophobicContact CE1-CG 4.41Å; F68-R142 VanDerWaalsContact CE2-NH1 3.29Å; F68-R142 VanDerWaalsContact CZ-CD 3.46Å; F68-R142 HydrophobicContact CZ-CG 4.35Å |
| 69 | M | 49.8 | Very low | 54 | Low | 153 Ų | 153 | 80.3 Ų | 80.3 | 75% | 0.754 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71 | -34.3 | -178.2 | -126.2 | 162.7 | -170.8 | 0 | 0 | 112 | G66 M71 F72 G73 | G66-M69 PolarHBondContact O-N 3.1Å; M69-M71 PolarHBondContact O-N 2.74Å; M69-F72 PolarHBondContact O-N 2.76Å; M69-G73 PolarHBondContact O-N 3.2Å |
| 70 | D | 60.3 | Low | 55.4 | Low | 117 Ų | 117 | 78.5 Ų | 78.5 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 178.2 | -81.2 | -53.7 | 0 | 0 | 0 | 112.6 | G66 G73 M74 | G66-D70 PolarHBondContact O-N 3.07Å; D70-G73 PolarHBondContact O-N 2.9Å; D70-M74 WeakPolarHBondContact O-CB 3.3Å; D70-M74 PolarHBondContact O-N 3.26Å |
| 71 | M | 60.3 | Low | 57.1 | Low | 40 Ų | 40 | 79.6 Ų | 79.6 | 20% | 0.197 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -74.4 | -32.6 | 178.4 | -164.3 | 173.5 | -75.6 | 0 | 0 | 111.8 | M69 M75 Q115 | M69-M71 PolarHBondContact O-N 2.74Å; M71-M75 WeakPolarHBondContact O-CB 3.42Å; M71-M75 PolarHBondContact O-N 2.93Å; M71-Q115 PolarHBondContact SD-NE2 2.82Å |
| 72 | F | 62.3 | Low | 58.5 | Low | 45 Ų | 45 | 76.4 Ų | 76.4 | 20% | 0.197 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 170.3 | -78.5 | -52.6 | 0 | 0 | 0 | 112.3 | F68 M69 G76 T129 Q131 | F68-F72 WeakPolarHBondContact O-CD2 3.16Å; F68-F72 PolarHBondContact O-N 3.4Å; M69-F72 PolarHBondContact O-N 2.76Å; F72-G76 PolarHBondContact O-N 2.78Å; F72-T129 HydrophobicContact CD1-CG2 3.65Å; F72-T129 HydrophobicContact CE1-CG2 3.71Å; F72-Q131 HydrophobicContact CE1-CG 3.63Å; F72-Q131 HydrophobicContact CE2-CG 4.15Å; F72-Q131 HydrophobicContact CZ-CB 4.06Å; F72-Q131 HydrophobicContact CZ-CG 3.45Å; F72-Q131 VanDerWaalsContact CZ-CG 3.45Å |
| 73 | G | 62.8 | Low | 59.6 | Low | 50 Ų | 50 | 74.4 Ų | 74.4 | 52% | 0.515 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M69 D70 G76 G77 | M69-G73 PolarHBondContact O-N 3.2Å; D70-G73 PolarHBondContact O-N 2.9Å; G73-G76 PolarHBondContact O-N 3.14Å; G73-G77 PolarHBondContact O-N 2.87Å |
| 74 | M | 68.3 | Low | 60.9 | Low | 137 Ų | 137 | 80.2 Ų | 80.2 | 68% | 0.675 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 179.6 | -170.6 | 173 | 71.9 | 0 | 0 | 112.1 | D70 G77 M78 | D70-M74 WeakPolarHBondContact O-CB 3.3Å; D70-M74 PolarHBondContact O-N 3.26Å; M74-G77 PolarHBondContact O-N 2.79Å; M74-M78 PolarHBondContact O-N 3.48Å; M74-M78 VanDerWaalsContact O-N 3.09Å |
| 75 | M | 67.1 | Low | 61.8 | Low | 12 Ų | 12 | 78 Ų | 78 | 6% | 0.059 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -73.5 | -33.3 | 179.8 | -150 | 158.4 | 79.2 | 0 | 0 | 112 | M71 M78 M79 S117 L119 | M71-M75 WeakPolarHBondContact O-CB 3.42Å; M71-M75 PolarHBondContact O-N 2.93Å; M75-M78 PolarHBondContact O-N 2.8Å; M75-M79 VanDerWaalsContact O-CB 3.29Å; M75-M79 WeakPolarHBondContact O-CB 3.38Å; M75-M79 PolarHBondContact O-N 2.79Å; M75-S117 WeakPolarHBondContact CE-O 3.38Å; M75-S117 WeakPolarHBondContact CE-OG 3.29Å; M75-L119 HydrophobicContact CE-CB 3.27Å |
| 76 | G | 66.8 | Low | 63 | Low | 20 Ų | 20 | 76 Ų | 76 | 21% | 0.206 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F72 G73 M79 E80 | F72-G76 PolarHBondContact O-N 2.78Å; G73-G76 PolarHBondContact O-N 3.14Å; G76-M79 PolarHBondContact O-N 2.85Å; G76-E80 WeakPolarHBondContact O-CB 3.39Å; G76-E80 PolarHBondContact O-N 2.77Å |
| 77 | G | 71.7 | Confident | 63.6 | Low | 40 Ų | 40 | 77.7 Ų | 77.7 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G73 M74 N81 | G73-G77 PolarHBondContact O-N 2.87Å; M74-G77 PolarHBondContact O-N 2.79Å; G77-N81 PolarHBondContact O-N 2.8Å; G77-N81 VanDerWaalsContact O-N 3.15Å |
| 78 | M | 70.3 | Confident | 64 | Low | 127 Ų | 127 | 79.3 Ų | 79.3 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.1 | -41.4 | 174.3 | -174.7 | 175.3 | -179.3 | 0 | 0 | 111.8 | M74 M75 N81 M82 | M74-M78 PolarHBondContact O-N 3.48Å; M74-M78 VanDerWaalsContact O-N 3.09Å; M75-M78 PolarHBondContact O-N 2.8Å; M78-N81 WeakPolarHBondContact O-CB 3.33Å; M78-N81 PolarHBondContact O-N 3.37Å; M78-M82 PolarHBondContact O-N 3.44Å |
| 79 | M | 69.1 | Low | 64.4 | Low | 6 Ų | 6 | 83.3 Ų | 83.3 | 3% | 0.03 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 177.5 | -163.1 | 100.2 | 152 | 0 | 0 | 111.5 | M75 G76 N81 M82 D83 T93 L119 T121 | M75-M79 VanDerWaalsContact O-CB 3.29Å; M75-M79 WeakPolarHBondContact O-CB 3.38Å; M75-M79 PolarHBondContact O-N 2.79Å; G76-M79 PolarHBondContact O-N 2.85Å; M79-N81 VanDerWaalsContact C-N 3.28Å; M79-N81 PolarHBondContact O-N 3.36Å; M79-M82 CarbonylContact O-C 3.58Å; M79-M82 WeakPolarHBondContact O-CA 3.39Å; M79-M82 WeakPolarHBondContact O-CB 3.49Å; M79-M82 PolarHBondContact O-N 3.41Å; M79-D83 PolarHBondContact O-N 2.9Å; M79-T93 HydrophobicContact CE-CG2 3.54Å; M79-T93 WeakPolarHBondContact CE-O 3.34Å; M79-T93 HydrophobicContact CG-CG2 3.95Å; M79-T93 HydrophobicContact SD-CG2 3.49Å; M79-T93 WeakPolarHBondContact SD-CG2 3.18Å; M79-L119 HydrophobicContact CB-CD2 3.67Å; M79-L119 HydrophobicContact CE-CD2 4.29Å; M79-L119 HydrophobicContact CE-CG 3.96Å; M79-L119 WeakPolarHBondContact CE-O 3.38Å; M79-L119 HydrophobicContact CG-CD2 3.87Å; M79-L119 HydrophobicContact SD-CD2 3.87Å; M79-L119 HydrophobicContact SD-CG 4.09Å; M79-T121 VanDerWaalsContact CE-OG1 3.26Å; M79-T121 WeakPolarHBondContact CE-OG1 3.39Å |
| 80 | E | 72.6 | Confident | 65.1 | Low | 104 Ų | 104 | 81.7 Ų | 81.7 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 176.9 | -167.5 | -172.5 | 155.3 | 0 | 0 | 111.3 | G76 M82 D83 R84 | G76-E80 WeakPolarHBondContact O-CB 3.39Å; G76-E80 PolarHBondContact O-N 2.77Å; E80-M82 VanDerWaalsContact C-N 3.33Å; E80-D83 PolarHBondContact O-N 2.82Å; E80-R84 VanDerWaalsContact O-CG 3.28Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 3.29Å; E80-R84 IonicContact OE1-CZ 3.5Å; E80-R84 IonicContact OE1-NE 3.57Å; E80-R84 IonicContact OE1-NH2 3.85Å; E80-R84 PolarHBondContact OE1-NH2 3.48Å |
| 81 | N | 72.3 | Confident | 65.7 | Low | 88 Ų | 88 | 79.1 Ų | 79.1 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 172.7 | -165.3 | -1.7 | 0 | 0 | 0 | 111.5 | G77 M78 M79 R84 M85 | G77-N81 PolarHBondContact O-N 2.8Å; G77-N81 VanDerWaalsContact O-N 3.15Å; M78-N81 WeakPolarHBondContact O-CB 3.33Å; M78-N81 PolarHBondContact O-N 3.37Å; M79-N81 VanDerWaalsContact C-N 3.28Å; M79-N81 PolarHBondContact O-N 3.36Å; N81-R84 WeakPolarHBondContact O-CB 3.3Å; N81-R84 PolarHBondContact O-N 3.1Å; N81-M85 WeakPolarHBondContact O-CG 3.37Å; N81-M85 PolarHBondContact O-N 2.87Å |
| 82 | M | 68.2 | Low | 66.6 | Low | 116 Ų | 116 | 81.2 Ų | 81.2 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.5 | -37.2 | 176.4 | -165.1 | 130.7 | 177.3 | 0 | 0 | 112.7 | M78 M79 E80 R84 M85 S86 | M78-M82 PolarHBondContact O-N 3.44Å; M79-M82 CarbonylContact O-C 3.58Å; M79-M82 WeakPolarHBondContact O-CA 3.39Å; M79-M82 WeakPolarHBondContact O-CB 3.49Å; M79-M82 PolarHBondContact O-N 3.41Å; E80-M82 VanDerWaalsContact C-N 3.33Å; M82-R84 VanDerWaalsContact C-N 3.35Å; M82-M85 CarbonylContact O-C 3.57Å; M82-M85 PolarHBondContact O-N 3.41Å; M82-S86 WeakPolarHBondContact O-CB 3.36Å; M82-S86 PolarHBondContact O-N 2.89Å |
| 83 | D | 66.6 | Low | 67.4 | Low | 58 Ų | 58 | 79.9 Ų | 79.9 | 31% | 0.31 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 172.9 | -83.2 | -41.5 | 0 | 0 | 0 | 111.4 | M79 E80 M85 S86 G87 T93 | M79-D83 PolarHBondContact O-N 2.9Å; E80-D83 PolarHBondContact O-N 2.82Å; D83-M85 VanDerWaalsContact C-N 3.29Å; D83-M85 PolarHBondContact O-N 3.22Å; D83-S86 PolarHBondContact O-N 3.22Å; D83-S86 PolarHBondContact O-OG 3.28Å; D83-G87 PolarHBondContact O-N 2.72Å; D83-T93 PolarHBondContact OD1-OG1 2.62Å |
| 84 | R | 67.3 | Low | 68.3 | Low | 185 Ų | 185 | 81.4 Ų | 81.4 | 70% | 0.698 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.4 | -32.4 | 170.7 | -71.6 | 174.5 | -172.3 | -164 | 4.5 | 112.7 | E80 N81 M82 | E80-R84 VanDerWaalsContact O-CG 3.28Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 3.29Å; E80-R84 IonicContact OE1-CZ 3.5Å; E80-R84 IonicContact OE1-NE 3.57Å; E80-R84 IonicContact OE1-NH2 3.85Å; E80-R84 PolarHBondContact OE1-NH2 3.48Å; N81-R84 WeakPolarHBondContact O-CB 3.3Å; N81-R84 PolarHBondContact O-N 3.1Å; M82-R84 VanDerWaalsContact C-N 3.35Å |
| 85 | M | 60.6 | Low | 68.9 | Low | 152 Ų | 152 | 76 Ų | 76 | 75% | 0.749 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -81.9 | -32.1 | 175.9 | -73.3 | -174 | -178.3 | 0 | 0 | 113.5 | N81 M82 D83 G87 | N81-M85 WeakPolarHBondContact O-CG 3.37Å; N81-M85 PolarHBondContact O-N 2.87Å; M82-M85 CarbonylContact O-C 3.57Å; M82-M85 PolarHBondContact O-N 3.41Å; D83-M85 VanDerWaalsContact C-N 3.29Å; D83-M85 PolarHBondContact O-N 3.22Å; M85-G87 VanDerWaalsContact C-N 3.31Å; M85-G87 PolarHBondContact O-N 2.65Å |
| 86 | S | 63.3 | Low | 69.5 | Low | 51 Ų | 51 | 77.4 Ų | 77.4 | 36% | 0.357 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73 | -25.4 | -175.4 | 80.6 | 0 | 0 | 0 | 0 | 112.3 | M82 D83 S88 | M82-S86 WeakPolarHBondContact O-CB 3.36Å; M82-S86 PolarHBondContact O-N 2.89Å; D83-S86 PolarHBondContact O-N 3.22Å; D83-S86 PolarHBondContact O-OG 3.28Å; S86-S88 PolarHBondContact O-N 3.17Å |
| 87 | G | 56.3 | Low | 70.1 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 72% | 0.722 | 45% | 0.447 | S | S | * | . | trans | 58.3 | 8.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D83 M85 | D83-G87 PolarHBondContact O-N 2.72Å; M85-G87 VanDerWaalsContact C-N 3.31Å; M85-G87 PolarHBondContact O-N 2.65Å | ||
| 88 | S | 58.3 | Low | 70.6 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 34% | 0.343 | 44% | 0.436 | S | S | . | . | trans | -111.4 | 115 | -170 | 167.4 | 0 | 0 | 0 | 0 | 109.6 | S86 N90 C91 | S86-S88 PolarHBondContact O-N 3.17Å; S88-N90 PolarHBondContact O-N 2.61Å; S88-C91 PolarHBondContact OG-SG 3.06Å | ||
| 89 | P | 58.5 | Low | 71.2 | Confident | 129 Ų | 129 | 75.4 Ų | 75.4 | 84% | 0.838 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 2.8 | -174.1 | 28.3 | -34.7 | 0 | 0 | 0 | 114.6 | ||
| 90 | N | 64.9 | Low | 71.9 | Confident | 120 Ų | 120 | 77.6 Ų | 77.6 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | 20.1 | -174.9 | -149.7 | 25.5 | 0 | 0 | 0 | 114 | S88 P123 | S88-N90 PolarHBondContact O-N 2.61Å; N90-P123 WeakPolarHBondContact OD1-CG 3.31Å |
| 91 | C | 72.4 | Confident | 72.3 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 42% | 0.419 | 43% | 0.431 | S | S | . | . | trans | -88.7 | 142.4 | 177.5 | -83.3 | 0 | 0 | 0 | 0 | 111.4 | S88 | S88-C91 PolarHBondContact OG-SG 3.06Š| ||
| 92 | Q | 78.9 | Confident | 72.7 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | trans | -82.9 | 136.2 | 160.8 | -69.7 | 179 | 30.5 | 0 | 0 | 108.5 | T121 A122 Y195 | Q92-T121 WeakPolarHBondContact CA-O 3.18Å; Q92-A122 HydrophobicContact CG-CB 3.98Å; Q92-Y195 HydrophobicContact CG-CD1 4.25Å; Q92-Y195 HydrophobicContact CG-CG 4.41Å; Q92-Y195 VanDerWaalsContact NE2-CG 3.33Å | ||
| 93 | T | 78.9 | Confident | 73.1 | Confident | 18 Ų | 18 | 76.2 Ų | 76.2 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.1 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 107.6 | M79 D83 R120 T121 | M79-T93 HydrophobicContact CE-CG2 3.54Å; M79-T93 WeakPolarHBondContact CE-O 3.34Å; M79-T93 HydrophobicContact CG-CG2 3.95Å; M79-T93 HydrophobicContact SD-CG2 3.49Å; M79-T93 WeakPolarHBondContact SD-CG2 3.18Å; D83-T93 PolarHBondContact OD1-OG1 2.62Å; T93-R120 WeakPolarHBondContact O-CA 3.48Å; T93-T121 PolarHBondContact N-O 3.23Å; T93-T121 PolarHBondContact O-N 3.35Å |
| 94 | F | 82.2 | Confident | 73.3 | Confident | 81 Ų | 81 | 77.5 Ų | 77.5 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.3 | 177.1 | 172.5 | -99 | 0 | 0 | 0 | 108.6 | E118 L119 R120 P198 | F94-E118 HydrophobicContact CE2-CB 4.27Å; F94-L119 WeakPolarHBondContact CA-O 3.28Å; F94-R120 HydrophobicContact CD2-CB 4.32Å; F94-P198 HydrophobicContact CG-CG 4.45Å |
| 95 | S | 80.8 | Confident | 73.4 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 18% | 0.175 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.6 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | E118 L119 | S95-E118 CarbonylContact O-C 3.55Å; S95-E118 VanDerWaalsContact O-CA 3.27Å; S95-E118 WeakPolarHBondContact O-CA 3.46Å; S95-L119 PolarHBondContact N-O 2.63Å; S95-L119 PolarHBondContact O-N 2.94Å |
| 96 | S | 80.4 | Confident | 73.2 | Confident | 40 Ų | 40 | 73 Ų | 73 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.2 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | S117 | S96-S117 CarbonylContact C-O 3.54Å; S96-S117 VanDerWaalsContact CA-O 3.32Å; S96-S117 WeakPolarHBondContact CA-O 3.42Å |
| 97 | S | 79.1 | Confident | 73.1 | Confident | 57 Ų | 57 | 79.7 Ų | 79.7 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.7 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 109 | T116 S117 | S97-T116 CarbonylContact O-C 3.59Å; S97-T116 WeakPolarHBondContact O-CA 3.31Å; S97-S117 PolarHBondContact N-O 2.83Å; S97-S117 PolarHBondContact O-N 3.04Å |
| 98 | T | 81.3 | Confident | 73.6 | Confident | 31 Ų | 31 | 78.8 Ų | 78.8 | 19% | 0.19 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 133.1 | 174.5 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | Q21 I100 Q114 Q115 T116 | Q21-T98 PolarHBondContact NE2-OG1 2.86Å; Q21-T98 VanDerWaalsContact NE2-OG1 3.15Å; Q21-T98 PolarHBondContact OE1-OG1 2.92Å; T98-I100 HydrophobicContact CG2-CD1 4.37Å; T98-I100 HydrophobicContact CG2-CG1 3.86Å; T98-Q114 HydrophobicContact CG2-CG 4.14Å; T98-Q115 CarbonylContact C-O 3.57Å; T98-Q115 VanDerWaalsContact CA-O 3.32Å; T98-Q115 WeakPolarHBondContact CA-O 3.06Å; T98-Q115 WeakPolarHBondContact CG2-O 3.38Å; T98-T116 WeakPolarHBondContact CG2-OG1 3.43Å; T98-T116 VanDerWaalsContact OG1-CG2 3.32Å; T98-T116 WeakPolarHBondContact OG1-CG2 3.49Å; T98-T116 PolarHBondContact OG1-OG1 2.92Å; T98-T116 VanDerWaalsContact OG1-OG1 3.1Å |
| 99 | V | 84.1 | Confident | 74.2 | Confident | 57 Ų | 57 | 80.7 Ų | 80.7 | 35% | 0.345 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130 | 172.6 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | F59 Q114 Q115 | F59-V99 HydrophobicContact CZ-CG1 4.24Å; V99-Q114 WeakPolarHBondContact O-CA 3.48Å; V99-Q115 PolarHBondContact N-O 2.6Å; V99-Q115 PolarHBondContact O-N 2.81Å |
| 100 | I | 83.1 | Confident | 75.1 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 27% | 0.267 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.8 | 173.7 | -43.3 | -177.7 | 0 | 0 | 0 | 108.1 | M25 T98 Y102 V112 Y113 Q114 | M25-I100 HydrophobicContact CE-CD1 4.29Å; T98-I100 HydrophobicContact CG2-CD1 4.37Å; T98-I100 HydrophobicContact CG2-CG1 3.86Å; I100-Y102 HydrophobicContact CB-CE2 4Å; I100-Y102 HydrophobicContact CG2-CD2 4.03Å; I100-Y102 HydrophobicContact CG2-CE1 4.26Å; I100-Y102 HydrophobicContact CG2-CE2 3.31Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.45Å; I100-V112 HydrophobicContact CG2-CG1 3.97Å; I100-Y113 CarbonylContact C-O 3.5Å; I100-Y113 WeakPolarHBondContact CA-O 3.39Å; I100-Q114 HydrophobicContact CG1-CG 4.06Å; I100-Q114 HydrophobicContact CG2-CB 4.39Å |
| 101 | S | 80.2 | Confident | 76 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 42% | 0.42 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.8 | 173.9 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | V112 Y113 | S101-V112 WeakPolarHBondContact O-CA 3.39Å; S101-Y113 PolarHBondContact N-O 2.83Å; S101-Y113 PolarHBondContact O-N 2.8Å |
| 102 | Y | 80.7 | Confident | 76.6 | Confident | 157 Ų | 157 | 74.9 Ų | 74.9 | 62% | 0.616 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.5 | 178.3 | -65.1 | -87.5 | 0 | 0 | 0 | 108.5 | I100 K111 V112 | I100-Y102 HydrophobicContact CB-CE2 4Å; I100-Y102 HydrophobicContact CG2-CD2 4.03Å; I100-Y102 HydrophobicContact CG2-CE1 4.26Å; I100-Y102 HydrophobicContact CG2-CE2 3.31Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.45Å; Y102-K111 CarbonylContact C-O 3.5Å; Y102-K111 WeakPolarHBondContact CA-O 3.38Å; Y102-V112 HydrophobicContact CD1-CB 4.43Å; Y102-V112 HydrophobicContact CD1-CG1 4.17Å; Y102-V112 HydrophobicContact CD1-CG2 3.69Å; Y102-V112 HydrophobicContact CE1-CB 4.41Å; Y102-V112 HydrophobicContact CE1-CG1 3.82Å; Y102-V112 HydrophobicContact CE1-CG2 3.74Å |
| 103 | S | 77.5 | Confident | 76.9 | Confident | 62 Ų | 62 | 73 Ų | 73 | 43% | 0.434 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.3 | 167 | 64.8 | 0 | 0 | 0 | 0 | 110.2 | K111 | S103-K111 PolarHBondContact N-O 2.84Å; S103-K111 PolarHBondContact O-N 2.77Å; S103-K111 WeakPolarHBondContact OG-CB 3.26Å |
| 104 | S | 71.5 | Confident | 77.3 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | trans | -120.9 | 104.1 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 105 | S | 69.2 | Low | 77.4 | Confident | 84 Ų | 84 | 70 Ų | 70 | 59% | 0.587 | 42% | 0.417 | S | S | * | . | trans | -85.8 | 126.8 | 161.5 | 54.7 | 0 | 0 | 0 | 0 | 107.3 | M107 G108 | S105-M107 PolarHBondContact O-N 2.79Å; S105-G108 PolarHBondContact O-N 2.79Å | ||
| 106 | D | 55.5 | Low | 77.5 | Confident | 158 Ų | 158 | 68.9 Ų | 68.9 | 85% | 0.845 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 19.6 | -159.9 | -76.9 | -38.1 | 0 | 0 | 0 | 119.6 | ||
| 107 | M | 61.1 | Low | 77.7 | Confident | 192 Ų | 192 | 67 Ų | 67 | 95% | 0.946 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.5 | 11 | -178.3 | -68 | -81.5 | -98.4 | 0 | 0 | 114.4 | S105 | S105-M107 PolarHBondContact O-N 2.79Š|
| 108 | G | 67.5 | Low | 78 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -149.5 | 177.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S105 | S105-G108 PolarHBondContact O-N 2.79Š|
| 109 | A | 70.4 | Confident | 78.2 | Confident | 90 Ų | 90 | 64 Ų | 64 | 74% | 0.744 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -60.6 | 139 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | K111 | A109-K111 PolarHBondContact O-N 2.77Š|
| 110 | P | 76.7 | Confident | 78.3 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 51% | 0.506 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 133.5 | -178.3 | 24.2 | -33 | 0 | 0 | 0 | 110.6 | V112 | P110-V112 PolarHBondContact O-N 3.26Š|
| 111 | K | 83.8 | Confident | 78.4 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 34% | 0.339 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.1 | 172.1 | -60.6 | 178 | -179.5 | -174.1 | 0 | 108.4 | Y102 S103 A109 S136 E137 | Y102-K111 CarbonylContact C-O 3.5Å; Y102-K111 WeakPolarHBondContact CA-O 3.38Å; S103-K111 PolarHBondContact N-O 2.84Å; S103-K111 PolarHBondContact O-N 2.77Å; S103-K111 WeakPolarHBondContact OG-CB 3.26Å; A109-K111 PolarHBondContact O-N 2.77Å; K111-S136 WeakPolarHBondContact CA-OG 3.29Å; K111-E137 HydrophobicContact CD-CB 4.29Å; K111-E137 HydrophobicContact CD-CG 4.32Å; K111-E137 IonicContact NZ-OE1 2.69Å; K111-E137 PolarHBondContact NZ-OE1 3.35Å |
| 112 | V | 84.9 | Confident | 78.7 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.7 | 175 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | I100 S101 Y102 P110 S136 | I100-V112 HydrophobicContact CG2-CG1 3.97Å; S101-V112 WeakPolarHBondContact O-CA 3.39Å; Y102-V112 HydrophobicContact CD1-CB 4.43Å; Y102-V112 HydrophobicContact CD1-CG1 4.17Å; Y102-V112 HydrophobicContact CD1-CG2 3.69Å; Y102-V112 HydrophobicContact CE1-CB 4.41Å; Y102-V112 HydrophobicContact CE1-CG1 3.82Å; Y102-V112 HydrophobicContact CE1-CG2 3.74Å; P110-V112 PolarHBondContact O-N 3.26Å; V112-S136 PolarHBondContact N-OG 3.38Å; V112-S136 PolarHBondContact O-N 3.04Å; V112-S136 PolarHBondContact O-OG 2.89Å |
| 113 | Y | 86.3 | Confident | 78.8 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.3 | 163.8 | 178.8 | -91.6 | 0 | 0 | 0 | 108.3 | I100 S101 Q115 M133 D135 | I100-Y113 CarbonylContact C-O 3.5Å; I100-Y113 WeakPolarHBondContact CA-O 3.39Å; S101-Y113 PolarHBondContact N-O 2.83Å; S101-Y113 PolarHBondContact O-N 2.8Å; Y113-Q115 HydrophobicContact CE1-CB 3.78Å; Y113-Q115 PolarHBondContact OH-OE1 2.78Å; Y113-M133 HydrophobicContact CE2-CE 3.39Å; Y113-M133 HydrophobicContact CE2-CG 4.11Å; Y113-M133 HydrophobicContact CE2-SD 4.43Å; Y113-M133 WeakPolarHBondContact OH-CE 3.13Å; Y113-D135 HydrophobicContact CD2-CB 4.04Å; Y113-D135 HydrophobicContact CE2-CB 4.47Å |
| 114 | Q | 86.1 | Confident | 79.1 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.3 | 177.5 | 178.7 | 167.2 | 10.7 | 0 | 0 | 110.1 | F18 T98 V99 I100 M133 R134 | F18-Q114 HydrophobicContact CD1-CG 4.05Å; F18-Q114 HydrophobicContact CE1-CG 3.52Å; F18-Q114 HydrophobicContact CZ-CG 4.23Å; T98-Q114 HydrophobicContact CG2-CG 4.14Å; V99-Q114 WeakPolarHBondContact O-CA 3.48Å; I100-Q114 HydrophobicContact CG1-CG 4.06Å; I100-Q114 HydrophobicContact CG2-CB 4.39Å; Q114-M133 CarbonylContact O-C 3.54Å; Q114-M133 VanDerWaalsContact O-CA 3.31Å; Q114-M133 WeakPolarHBondContact O-CA 3.36Å; Q114-R134 PolarHBondContact N-O 3.19Å; Q114-R134 PolarHBondContact O-N 3.23Å |
| 115 | Q | 86 | Confident | 79.8 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 122.3 | 175.4 | -179.7 | 176.5 | -24.3 | 0 | 0 | 109.9 | M71 T98 V99 Y113 S132 | M71-Q115 PolarHBondContact SD-NE2 2.82Å; T98-Q115 CarbonylContact C-O 3.57Å; T98-Q115 VanDerWaalsContact CA-O 3.32Å; T98-Q115 WeakPolarHBondContact CA-O 3.06Å; T98-Q115 WeakPolarHBondContact CG2-O 3.38Å; V99-Q115 PolarHBondContact N-O 2.6Å; V99-Q115 PolarHBondContact O-N 2.81Å; Y113-Q115 HydrophobicContact CE1-CB 3.78Å; Y113-Q115 PolarHBondContact OH-OE1 2.78Å; Q115-S132 CarbonylContact C-O 3.5Å; Q115-S132 WeakPolarHBondContact CA-O 3.49Å |
| 116 | T | 82.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.4 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 109.2 | F18 Q21 S97 T98 E118 Q131 S132 | F18-T116 WeakPolarHBondContact CE1-OG1 3.48Å; Q21-T116 PolarHBondContact OE1-OG1 2.9Å; S97-T116 CarbonylContact O-C 3.59Å; S97-T116 WeakPolarHBondContact O-CA 3.31Å; T98-T116 WeakPolarHBondContact CG2-OG1 3.43Å; T98-T116 VanDerWaalsContact OG1-CG2 3.32Å; T98-T116 WeakPolarHBondContact OG1-CG2 3.49Å; T98-T116 PolarHBondContact OG1-OG1 2.92Å; T98-T116 VanDerWaalsContact OG1-OG1 3.1Å; T116-E118 HydrophobicContact CG2-CG 4.05Å; T116-Q131 CarbonylContact O-C 3.57Å; T116-Q131 VanDerWaalsContact O-CA 3.25Å; T116-Q131 WeakPolarHBondContact O-CA 3.05Å; T116-S132 WeakPolarHBondContact CB-OG 3.42Å; T116-S132 PolarHBondContact N-O 2.83Å; T116-S132 PolarHBondContact O-N 3.39Å |
| 117 | S | 84.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.4 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | M75 S96 S97 R130 Q131 | M75-S117 WeakPolarHBondContact CE-O 3.38Å; M75-S117 WeakPolarHBondContact CE-OG 3.29Å; S96-S117 CarbonylContact C-O 3.54Å; S96-S117 VanDerWaalsContact CA-O 3.32Å; S96-S117 WeakPolarHBondContact CA-O 3.42Å; S97-S117 PolarHBondContact N-O 2.83Å; S97-S117 PolarHBondContact O-N 3.04Å; S117-R130 CarbonylContact C-O 3.13Å; S117-R130 WeakPolarHBondContact CA-O 3.42Å; S117-Q131 PolarHBondContact OG-NE2 3.39Å |
| 118 | E | 84.7 | Confident | 83.6 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 141.1 | 178.9 | -44.4 | -175.5 | 154.5 | 0 | 0 | 109.9 | F94 S95 T116 T129 R130 | F94-E118 HydrophobicContact CE2-CB 4.27Å; S95-E118 CarbonylContact O-C 3.55Å; S95-E118 VanDerWaalsContact O-CA 3.27Å; S95-E118 WeakPolarHBondContact O-CA 3.46Å; T116-E118 HydrophobicContact CG2-CG 4.05Å; E118-T129 WeakPolarHBondContact O-CA 3.48Å; E118-R130 HydrophobicContact CB-CB 4.19Å; E118-R130 PolarHBondContact N-O 3.29Å; E118-R130 PolarHBondContact O-N 2.95Å |
| 119 | L | 86.2 | Confident | 84.7 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 130.8 | 178.1 | 174.8 | 69.9 | 0 | 0 | 0 | 107.1 | M75 M79 F94 S95 E128 T129 | M75-L119 HydrophobicContact CE-CB 3.27Å; M79-L119 HydrophobicContact CB-CD2 3.67Å; M79-L119 HydrophobicContact CE-CD2 4.29Å; M79-L119 HydrophobicContact CE-CG 3.96Å; M79-L119 WeakPolarHBondContact CE-O 3.38Å; M79-L119 HydrophobicContact CG-CD2 3.87Å; M79-L119 HydrophobicContact SD-CD2 3.87Å; M79-L119 HydrophobicContact SD-CG 4.09Å; F94-L119 WeakPolarHBondContact CA-O 3.28Å; S95-L119 PolarHBondContact N-O 2.63Å; S95-L119 PolarHBondContact O-N 2.94Å; L119-E128 CarbonylContact C-O 3.5Å; L119-E128 WeakPolarHBondContact CA-O 3.27Å; L119-T129 HydrophobicContact CD1-CG2 3.48Å; L119-T129 VanDerWaalsContact CD1-CG2 3.48Å |
| 120 | R | 85 | Confident | 85.5 | Confident | 24 Ų | 24 | 30.3 Ų | 30.3 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.5 | 179.4 | -176.9 | 168.8 | 72 | 131.6 | 3.1 | 108.9 | T93 F94 R127 E128 Y195 P196 | T93-R120 WeakPolarHBondContact O-CA 3.48Å; F94-R120 HydrophobicContact CD2-CB 4.32Å; R120-R127 CarbonylContact O-C 3.5Å; R120-R127 VanDerWaalsContact O-CA 3.3Å; R120-R127 WeakPolarHBondContact O-CA 3.25Å; R120-E128 HydrophobicContact CB-CB 4.22Å; R120-E128 IonicContact CZ-OE2 3.03Å; R120-E128 PolarHBondContact N-O 3.45Å; R120-E128 IonicContact NE-OE2 2.82Å; R120-E128 PolarHBondContact NE-OE2 2.87Å; R120-E128 IonicContact NH2-OE2 2.6Å; R120-E128 PolarHBondContact NH2-OE2 3.46Å; R120-E128 PolarHBondContact O-N 3.29Å; R120-Y195 PolarHBondContact NH1-O 3.38Å; R120-P196 VanDerWaalsContact NH1-C 3.29Å |
| 121 | T | 86.1 | Confident | 85.9 | Confident | 28 Ų | 28 | 26.9 Ų | 26.9 | 17% | 0.172 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.8 | 177.9 | -53.6 | 0 | 0 | 0 | 0 | 108.3 | M79 Q92 T93 I126 R127 | M79-T121 VanDerWaalsContact CE-OG1 3.26Å; M79-T121 WeakPolarHBondContact CE-OG1 3.39Å; Q92-T121 WeakPolarHBondContact CA-O 3.18Å; T93-T121 PolarHBondContact N-O 3.23Å; T93-T121 PolarHBondContact O-N 3.35Å; T121-I126 CarbonylContact C-O 3.56Å; T121-I126 WeakPolarHBondContact CA-O 3.31Å; T121-R127 HydrophobicContact CG2-CG 3.88Å |
| 122 | A | 86.1 | Confident | 86.1 | Confident | 7 Ų | 7 | 23.4 Ų | 23.4 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 158.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q92 I126 Y195 | Q92-A122 HydrophobicContact CG-CB 3.98Å; A122-I126 HydrophobicContact CB-CB 4.05Å; A122-I126 HydrophobicContact CB-CD1 4.34Å; A122-I126 HydrophobicContact CB-CG2 4.21Å; A122-I126 PolarHBondContact N-O 3.11Å; A122-I126 PolarHBondContact O-N 3.29Å; A122-Y195 HydrophobicContact CB-CD2 3.59Å; A122-Y195 HydrophobicContact CB-CE2 4.04Å; A122-Y195 HydrophobicContact CB-CG 3.95Å |
| 123 | P | 83.3 | Confident | 86.2 | Confident | 27 Ų | 27 | 23.4 Ų | 23.4 | 18% | 0.175 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 147.2 | 176 | -24.3 | 34.7 | 0 | 0 | 0 | 111.6 | N90 | N90-P123 WeakPolarHBondContact OD1-CG 3.31Š|
| 124 | G | 83.3 | Confident | 86.2 | Confident | 44 Ų | 44 | 26.2 Ų | 26.2 | 45% | 0.454 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 22.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I126 W150 | G124-I126 VanDerWaalsContact C-N 3.3Å; G124-I126 PolarHBondContact O-N 3.47Å; G124-W150 PolarHBondContact O-NE1 3.18Å; G124-W150 VanDerWaalsContact O-NE1 3.07Å |
| 125 | G | 85.4 | Confident | 86.2 | Confident | 16 Ų | 16 | 26.5 Ų | 26.5 | 17% | 0.165 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 11.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | W150 | G125-W150 PolarHBondContact O-N 2.78Š|
| 126 | I | 89 | Confident | 86.1 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 123.9 | -178.2 | -60.3 | 166.7 | 0 | 0 | 0 | 108.8 | T121 A122 G124 W188 T191 A192 Y195 | T121-I126 CarbonylContact C-O 3.56Å; T121-I126 WeakPolarHBondContact CA-O 3.31Å; A122-I126 HydrophobicContact CB-CB 4.05Å; A122-I126 HydrophobicContact CB-CD1 4.34Å; A122-I126 HydrophobicContact CB-CG2 4.21Å; A122-I126 PolarHBondContact N-O 3.11Å; A122-I126 PolarHBondContact O-N 3.29Å; G124-I126 VanDerWaalsContact C-N 3.3Å; G124-I126 PolarHBondContact O-N 3.47Å; I126-W188 HydrophobicContact CB-CH2 4.43Å; I126-W188 HydrophobicContact CB-CZ3 4.12Å; I126-W188 HydrophobicContact CG1-CZ3 4.49Å; I126-W188 HydrophobicContact CG2-CE3 4.4Å; I126-W188 HydrophobicContact CG2-CH2 3.42Å; I126-W188 VanDerWaalsContact CG2-CH2 3.42Å; I126-W188 HydrophobicContact CG2-CZ2 4.35Å; I126-W188 HydrophobicContact CG2-CZ3 3.45Å; I126-W188 VanDerWaalsContact CG2-CZ3 3.45Å; I126-T191 HydrophobicContact CD1-CG2 3.29Å; I126-T191 HydrophobicContact CG1-CG2 3.93Å; I126-A192 HydrophobicContact CG2-CB 4.42Å; I126-Y195 HydrophobicContact CD1-CD2 3.6Å; I126-Y195 HydrophobicContact CD1-CE2 3.68Å |
| 127 | R | 89.4 | Confident | 86.1 | Confident | 108 Ų | 108 | 33.9 Ų | 33.9 | 41% | 0.408 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 118.2 | 175.4 | -77.1 | 173.4 | 51.8 | -163.5 | -8.2 | 110.5 | R120 T121 H148 W188 | R120-R127 CarbonylContact O-C 3.5Å; R120-R127 VanDerWaalsContact O-CA 3.3Å; R120-R127 WeakPolarHBondContact O-CA 3.25Å; T121-R127 HydrophobicContact CG2-CG 3.88Å; R127-H148 HydrophobicContact CB-CB 3.99Å; R127-H148 PolarHBondContact N-O 3.42Å; R127-H148 WeakPolarHBondContact O-CB 3.5Å; R127-H148 PolarHBondContact O-CD2 3.43Å; R127-H148 PolarHBondContact O-N 3.29Å; R127-W188 VanDerWaalsContact C-CH2 3.44Å; R127-W188 WeakPolarHBondContact O-CH2 3.44Å |
| 128 | E | 89.1 | Confident | 86 | Confident | 43 Ų | 43 | 36 Ų | 36 | 20% | 0.201 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.7 | 173.5 | -171.8 | -178.6 | -172.7 | 0 | 0 | 109.3 | L119 R120 G146 W188 | L119-E128 CarbonylContact C-O 3.5Å; L119-E128 WeakPolarHBondContact CA-O 3.27Å; R120-E128 HydrophobicContact CB-CB 4.22Å; R120-E128 IonicContact CZ-OE2 3.03Å; R120-E128 PolarHBondContact N-O 3.45Å; R120-E128 IonicContact NE-OE2 2.82Å; R120-E128 PolarHBondContact NE-OE2 2.87Å; R120-E128 IonicContact NH2-OE2 2.6Å; R120-E128 PolarHBondContact NH2-OE2 3.46Å; R120-E128 PolarHBondContact O-N 3.29Å; E128-G146 CarbonylContact C-O 3.52Å; E128-G146 WeakPolarHBondContact CA-O 3.2Å; E128-W188 HydrophobicContact CB-CH2 4.26Å; E128-W188 HydrophobicContact CB-CZ2 3.83Å; E128-W188 HydrophobicContact CG-CZ2 4.25Å |
| 129 | T | 88.9 | Confident | 86 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134 | 178 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | F72 E118 L119 I145 G146 H148 | F72-T129 HydrophobicContact CD1-CG2 3.65Å; F72-T129 HydrophobicContact CE1-CG2 3.71Å; E118-T129 WeakPolarHBondContact O-CA 3.48Å; L119-T129 HydrophobicContact CD1-CG2 3.48Å; L119-T129 VanDerWaalsContact CD1-CG2 3.48Å; T129-I145 CarbonylContact O-C 3.51Å; T129-I145 VanDerWaalsContact O-CA 3.3Å; T129-I145 WeakPolarHBondContact O-CA 3.31Å; T129-G146 PolarHBondContact N-O 2.7Å; T129-G146 PolarHBondContact O-N 2.81Å; T129-G146 WeakPolarHBondContact OG1-CA 3.39Å; T129-G146 PolarHBondContact OG1-N 2.86Å; T129-G146 PolarHBondContact OG1-O 2.81Å; T129-H148 PolarHBondContact OG1-NE2 3.45Å |
| 130 | R | 88.3 | Confident | 86 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 13% | 0.125 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 129.4 | 179 | -179.4 | 178.3 | -164.9 | -169.2 | 5.7 | 109.8 | M15 S117 E118 L143 A144 I145 | M15-R130 PolarHBondContact O-NH2 2.94Å; S117-R130 CarbonylContact C-O 3.13Å; S117-R130 WeakPolarHBondContact CA-O 3.42Å; E118-R130 HydrophobicContact CB-CB 4.19Å; E118-R130 PolarHBondContact N-O 3.29Å; E118-R130 PolarHBondContact O-N 2.95Å; R130-L143 HydrophobicContact CG-CD1 4.28Å; R130-A144 CarbonylContact C-O 3.56Å; R130-A144 WeakPolarHBondContact CA-O 3.18Å; R130-I145 HydrophobicContact CG-CG1 4.31Å |
| 131 | Q | 85 | Confident | 86.2 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.3 | 175.9 | -78.7 | -178.5 | -7.3 | 0 | 0 | 109.9 | F68 F72 T116 S117 L143 A144 | F68-Q131 PolarHBondContact O-NE2 2.88Å; F72-Q131 HydrophobicContact CE1-CG 3.63Å; F72-Q131 HydrophobicContact CE2-CG 4.15Å; F72-Q131 HydrophobicContact CZ-CB 4.06Å; F72-Q131 HydrophobicContact CZ-CG 3.45Å; F72-Q131 VanDerWaalsContact CZ-CG 3.45Å; T116-Q131 CarbonylContact O-C 3.57Å; T116-Q131 VanDerWaalsContact O-CA 3.25Å; T116-Q131 WeakPolarHBondContact O-CA 3.05Å; S117-Q131 PolarHBondContact OG-NE2 3.39Å; Q131-L143 CarbonylContact O-C 3.4Å; Q131-L143 VanDerWaalsContact O-CA 3.31Å; Q131-L143 WeakPolarHBondContact O-CA 3.46Å; Q131-A144 HydrophobicContact CB-CB 4.44Å; Q131-A144 PolarHBondContact N-O 2.86Å; Q131-A144 PolarHBondContact O-N 2.75Å |
| 132 | S | 86.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.6 | 176.3 | 58 | 0 | 0 | 0 | 0 | 110.6 | P17 F18 Q115 T116 R142 | P17-S132 VanDerWaalsContact CG-OG 3.29Å; P17-S132 WeakPolarHBondContact CG-OG 3.24Å; F18-S132 WeakPolarHBondContact CE1-OG 3.43Å; F18-S132 VanDerWaalsContact CZ-OG 3.28Å; F18-S132 WeakPolarHBondContact CZ-OG 3.44Å; Q115-S132 CarbonylContact C-O 3.5Å; Q115-S132 WeakPolarHBondContact CA-O 3.49Å; T116-S132 WeakPolarHBondContact CB-OG 3.42Å; T116-S132 PolarHBondContact N-O 2.83Å; T116-S132 PolarHBondContact O-N 3.39Å; S132-R142 CarbonylContact C-O 3.6Å; S132-R142 VanDerWaalsContact CA-O 3.31Å; S132-R142 WeakPolarHBondContact CA-O 3.48Å |
| 133 | M | 87.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 16% | 0.163 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.2 | -179.3 | 178.7 | -171.9 | 170.8 | 0 | 0 | 108.9 | F68 Y113 Q114 E141 R142 | F68-M133 HydrophobicContact CZ-SD 4.3Å; Y113-M133 HydrophobicContact CE2-CE 3.39Å; Y113-M133 HydrophobicContact CE2-CG 4.11Å; Y113-M133 HydrophobicContact CE2-SD 4.43Å; Y113-M133 WeakPolarHBondContact OH-CE 3.13Å; Q114-M133 CarbonylContact O-C 3.54Å; Q114-M133 VanDerWaalsContact O-CA 3.31Å; Q114-M133 WeakPolarHBondContact O-CA 3.36Å; M133-E141 CarbonylContact O-C 3.51Å; M133-E141 WeakPolarHBondContact O-CA 3.5Å; M133-R142 HydrophobicContact CB-CB 4.44Å; M133-R142 PolarHBondContact N-O 2.81Å; M133-R142 PolarHBondContact O-N 2.82Å |
| 134 | R | 86.5 | Confident | 86.8 | Confident | 104 Ų | 104 | 40.3 Ų | 40.3 | 39% | 0.392 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 119.8 | 177.4 | -179.5 | 169 | -165.5 | -127.4 | 1.7 | 109.3 | F18 Q114 E141 | F18-R134 HydrophobicContact CE2-CB 4.34Å; F18-R134 HydrophobicContact CZ-CB 4.28Å; Q114-R134 PolarHBondContact N-O 3.19Å; Q114-R134 PolarHBondContact O-N 3.23Å; R134-E141 HydrophobicContact CG-CG 4.06Å; R134-E141 IonicContact CZ-OE1 3.84Å; R134-E141 IonicContact NE-OE1 2.97Å; R134-E141 PolarHBondContact NE-OE1 2.92Å; R134-E141 IonicContact NH2-OE1 3.81Å |
| 135 | D | 85.8 | Confident | 87.1 | Confident | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.7 | 175.6 | 179.5 | 16.1 | 0 | 0 | 0 | 109.9 | Y113 E137 S138 G139 L140 | Y113-D135 HydrophobicContact CD2-CB 4.04Å; Y113-D135 HydrophobicContact CE2-CB 4.47Å; D135-E137 WeakPolarHBondContact OD1-CB 3.48Å; D135-E137 PolarHBondContact OD1-N 2.89Å; D135-S138 WeakPolarHBondContact CB-OG 3.47Å; D135-S138 VanDerWaalsContact CG-OG 3.26Å; D135-S138 VanDerWaalsContact OD2-CB 3.28Å; D135-S138 WeakPolarHBondContact OD2-CB 3.28Å; D135-S138 PolarHBondContact OD2-N 2.89Å; D135-S138 PolarHBondContact OD2-OG 3.09Å; D135-G139 CarbonylContact O-C 3.54Å; D135-G139 WeakPolarHBondContact O-CA 3.28Å; D135-G139 PolarHBondContact O-N 3.15Å; D135-L140 PolarHBondContact N-O 3.42Å; D135-L140 PolarHBondContact O-N 3.39Å |
| 136 | S | 84 | Confident | 87.4 | Confident | 52 Ų | 52 | 38.3 Ų | 38.3 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -15.2 | 176.8 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | K111 V112 | K111-S136 WeakPolarHBondContact CA-OG 3.29Å; V112-S136 PolarHBondContact N-OG 3.38Å; V112-S136 PolarHBondContact O-N 3.04Å; V112-S136 PolarHBondContact O-OG 2.89Å |
| 137 | E | 83.6 | Confident | 87.5 | Confident | 120 Ų | 120 | 38.9 Ų | 38.9 | 56% | 0.561 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -49.6 | 176 | 177.4 | 166 | -140.9 | 0 | 0 | 111.1 | K111 D135 | K111-E137 HydrophobicContact CD-CB 4.29Å; K111-E137 HydrophobicContact CD-CG 4.32Å; K111-E137 IonicContact NZ-OE1 2.69Å; K111-E137 PolarHBondContact NZ-OE1 3.35Å; D135-E137 WeakPolarHBondContact OD1-CB 3.48Å; D135-E137 PolarHBondContact OD1-N 2.89Å |
| 138 | S | 82.8 | Confident | 87.6 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 32% | 0.315 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -12.8 | 176.4 | 63 | 0 | 0 | 0 | 0 | 114 | D135 L140 H163 | D135-S138 WeakPolarHBondContact CB-OG 3.47Å; D135-S138 VanDerWaalsContact CG-OG 3.26Å; D135-S138 VanDerWaalsContact OD2-CB 3.28Å; D135-S138 WeakPolarHBondContact OD2-CB 3.28Å; D135-S138 PolarHBondContact OD2-N 2.89Å; D135-S138 PolarHBondContact OD2-OG 3.09Å; S138-L140 PolarHBondContact O-N 3.32Å; S138-L140 VanDerWaalsContact OG-CB 3.28Å; S138-L140 WeakPolarHBondContact OG-CB 3.37Å; S138-L140 PolarHBondContact OG-N 2.96Å; S138-H163 PolarHBondContact O-CD2 3.22Å |
| 139 | G | 84.8 | Confident | 87.7 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | trans | 70.1 | 11.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D135 R162 H163 | D135-G139 CarbonylContact O-C 3.54Å; D135-G139 WeakPolarHBondContact O-CA 3.28Å; D135-G139 PolarHBondContact O-N 3.15Å; G139-R162 PolarHBondContact O-N 3.35Å; G139-H163 WeakPolarHBondContact CA-NE2 3.44Å; G139-H163 PolarHBondContact N-NE2 3.36Å | ||
| 140 | L | 86.6 | Confident | 87.7 | Confident | 49 Ų | 49 | 41.9 Ų | 41.9 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128 | -178 | -173.9 | 69.8 | 0 | 0 | 0 | 111.2 | D135 S138 | D135-L140 PolarHBondContact N-O 3.42Å; D135-L140 PolarHBondContact O-N 3.39Å; S138-L140 PolarHBondContact O-N 3.32Å; S138-L140 VanDerWaalsContact OG-CB 3.28Å; S138-L140 WeakPolarHBondContact OG-CB 3.37Å; S138-L140 PolarHBondContact OG-N 2.96Å |
| 141 | E | 88.9 | Confident | 87.8 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.6 | 170.9 | -68.7 | 178.3 | 167.4 | 0 | 0 | 107.9 | M133 R134 S159 R160 R162 | M133-E141 CarbonylContact O-C 3.51Å; M133-E141 WeakPolarHBondContact O-CA 3.5Å; R134-E141 HydrophobicContact CG-CG 4.06Å; R134-E141 IonicContact CZ-OE1 3.84Å; R134-E141 IonicContact NE-OE1 2.97Å; R134-E141 PolarHBondContact NE-OE1 2.92Å; R134-E141 IonicContact NH2-OE1 3.81Å; E141-S159 CarbonylContact O-C 3.48Å; E141-S159 WeakPolarHBondContact O-CA 3.11Å; E141-R160 PolarHBondContact N-O 3.38Å; E141-R160 PolarHBondContact O-N 3.27Å; E141-R162 WeakPolarHBondContact OE1-CD 3.38Å |
| 142 | R | 88 | Confident | 88.2 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 24% | 0.242 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141 | -179.4 | -176.6 | 167 | 170.1 | 169.8 | 0.1 | 110.6 | F68 S132 M133 E157 R158 | F68-R142 HydrophobicContact CE1-CG 4.41Å; F68-R142 VanDerWaalsContact CE2-NH1 3.29Å; F68-R142 VanDerWaalsContact CZ-CD 3.46Å; F68-R142 HydrophobicContact CZ-CG 4.35Å; S132-R142 CarbonylContact C-O 3.6Å; S132-R142 VanDerWaalsContact CA-O 3.31Å; S132-R142 WeakPolarHBondContact CA-O 3.48Å; M133-R142 HydrophobicContact CB-CB 4.44Å; M133-R142 PolarHBondContact N-O 2.81Å; M133-R142 PolarHBondContact O-N 2.82Å; R142-E157 HydrophobicContact CG-CG 4.39Å; R142-E157 IonicContact CZ-OE1 2.99Å; R142-E157 IonicContact CZ-OE2 3.19Å; R142-E157 IonicContact NE-OE1 3.17Å; R142-E157 PolarHBondContact NE-OE1 2.95Å; R142-E157 VanDerWaalsContact NE-OE1 3.17Å; R142-E157 IonicContact NE-OE2 3.06Å; R142-E157 PolarHBondContact NE-OE2 2.9Å; R142-E157 IonicContact NH1-OE1 3.93Å; R142-E157 IonicContact NH2-OE1 2.65Å; R142-E157 PolarHBondContact NH2-OE1 2.8Å; R142-E157 IonicContact NH2-OE2 2.61Å; R142-E157 PolarHBondContact NH2-OE2 2.85Å; R142-R158 CarbonylContact C-O 3.49Å; R142-R158 WeakPolarHBondContact CA-O 3.45Å |
| 143 | L | 89.7 | Confident | 88.4 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 124.4 | 178.1 | 175.9 | 66.6 | 0 | 0 | 0 | 108.5 | R130 Q131 I145 E157 R158 | R130-L143 HydrophobicContact CG-CD1 4.28Å; Q131-L143 CarbonylContact O-C 3.4Å; Q131-L143 VanDerWaalsContact O-CA 3.31Å; Q131-L143 WeakPolarHBondContact O-CA 3.46Å; L143-I145 HydrophobicContact CD1-CD1 4.43Å; L143-I145 HydrophobicContact CD1-CG1 4.16Å; L143-I145 HydrophobicContact CD2-CD1 4.1Å; L143-I145 HydrophobicContact CG-CD1 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.14Å; L143-E157 CarbonylContact O-C 3.52Å; L143-E157 WeakPolarHBondContact O-CA 3.1Å; L143-R158 PolarHBondContact N-O 3.11Å; L143-R158 PolarHBondContact O-N 3.18Å |
| 144 | A | 89.1 | Confident | 88.6 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | R130 Q131 M156 E157 | R130-A144 CarbonylContact C-O 3.56Å; R130-A144 WeakPolarHBondContact CA-O 3.18Å; Q131-A144 HydrophobicContact CB-CB 4.44Å; Q131-A144 PolarHBondContact N-O 2.86Å; Q131-A144 PolarHBondContact O-N 2.75Å; A144-M156 CarbonylContact C-O 3.45Å; A144-M156 WeakPolarHBondContact CA-O 3.47Å; A144-E157 HydrophobicContact CB-CB 4.49Å |
| 145 | I | 90 | Very high | 88.8 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.087 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 115.5 | 177.9 | -58.4 | 175.9 | 0 | 0 | 0 | 107.6 | T129 R130 L143 H147 V155 M156 | T129-I145 CarbonylContact O-C 3.51Å; T129-I145 VanDerWaalsContact O-CA 3.3Å; T129-I145 WeakPolarHBondContact O-CA 3.31Å; R130-I145 HydrophobicContact CG-CG1 4.31Å; L143-I145 HydrophobicContact CD1-CD1 4.43Å; L143-I145 HydrophobicContact CD1-CG1 4.16Å; L143-I145 HydrophobicContact CD2-CD1 4.1Å; L143-I145 HydrophobicContact CG-CD1 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.14Å; I145-H147 WeakPolarHBondContact CG2-NE2 3.33Å; I145-V155 CarbonylContact O-C 3.51Å; I145-V155 WeakPolarHBondContact O-CA 3.28Å; I145-M156 PolarHBondContact N-O 2.93Å; I145-M156 PolarHBondContact O-N 2.77Å |
| 146 | G | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E128 T129 H154 | E128-G146 CarbonylContact C-O 3.52Å; E128-G146 WeakPolarHBondContact CA-O 3.2Å; T129-G146 PolarHBondContact N-O 2.7Å; T129-G146 PolarHBondContact O-N 2.81Å; T129-G146 WeakPolarHBondContact OG1-CA 3.39Å; T129-G146 PolarHBondContact OG1-N 2.86Å; T129-G146 PolarHBondContact OG1-O 2.81Å; G146-H154 WeakPolarHBondContact CA-O 3.32Å |
| 147 | H | 92.3 | Very high | 89.3 | Confident | 18 Ų | 18 | 42 Ų | 42 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.1 | 173.3 | -63 | 160.9 | 0 | 0 | 0 | 109 | I145 G153 H154 F184 W188 | I145-H147 WeakPolarHBondContact CG2-NE2 3.33Å; H147-G153 CarbonylContact O-C 3.58Å; H147-G153 WeakPolarHBondContact O-CA 3.32Å; H147-H154 PolarHBondContact N-O 3.43Å; H147-H154 PolarHBondContact O-N 3.03Å; H147-F184 HydrophobicContact CB-CE1 4.03Å; H147-F184 HydrophobicContact CB-CZ 4.33Å; H147-W188 HydrophobicContact CB-CD2 3.75Å; H147-W188 VanDerWaalsContact CB-CE2 3.47Å; H147-W188 HydrophobicContact CB-CE3 4.39Å; H147-W188 HydrophobicContact CB-CG 4Å; H147-W188 HydrophobicContact CB-CH2 4.49Å; H147-W188 HydrophobicContact CB-CZ2 3.85Å; H147-W188 AromaticContact CD2-CD1 3.97Å; H147-W188 AromaticContact CD2-CE2 3.53Å; H147-W188 AromaticContact CD2-CZ2 3.74Å; H147-W188 AromaticContact CD2-NE1 3.1Å; H147-W188 PolarHBondContact CD2-NE1 2.74Å; H147-W188 AromaticContact CE1-CD1 3.76Å; H147-W188 AromaticContact CE1-NE1 3.52Å; H147-W188 AromaticContact CG-CD1 3.52Å; H147-W188 AromaticContact CG-CE2 3.47Å; H147-W188 VanDerWaalsContact CG-CE2 3.47Å; H147-W188 AromaticContact CG-CZ2 3.98Å; H147-W188 AromaticContact CG-NE1 3.07Å; H147-W188 AromaticContact ND1-CD1 3.4Å; H147-W188 AromaticContact ND1-NE1 3.36Å; H147-W188 PolarHBondContact ND1-NE1 2.76Å; H147-W188 AromaticContact NE2-NE1 3.37Å; H147-W188 PolarHBondContact NE2-NE1 2.99Å |
| 148 | H | 91 | Very high | 89.5 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125.8 | -177.3 | -55.5 | -94.6 | 0 | 0 | 0 | 111.5 | R127 T129 R152 W188 | R127-H148 HydrophobicContact CB-CB 3.99Å; R127-H148 PolarHBondContact N-O 3.42Å; R127-H148 WeakPolarHBondContact O-CB 3.5Å; R127-H148 PolarHBondContact O-CD2 3.43Å; R127-H148 PolarHBondContact O-N 3.29Å; T129-H148 PolarHBondContact OG1-NE2 3.45Å; H148-R152 CarbonylContact C-O 3.59Å; H148-R152 VanDerWaalsContact CA-O 3.3Å; H148-R152 WeakPolarHBondContact CA-O 3.47Å; H148-W188 VanDerWaalsContact C-CZ3 3.49Å; H148-W188 WeakPolarHBondContact O-CZ3 3.33Å |
| 149 | I | 91 | Very high | 89.8 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 109.3 | 169.5 | -57.5 | 175.6 | 0 | 0 | 0 | 107.1 | D151 R152 F184 E187 W188 | I149-D151 PolarHBondContact O-N 3.48Å; I149-R152 PolarHBondContact N-O 2.82Å; I149-R152 PolarHBondContact O-N 2.69Å; I149-F184 HydrophobicContact CB-CE2 3.87Å; I149-F184 HydrophobicContact CD1-CD2 4.08Å; I149-F184 HydrophobicContact CD1-CE2 3.75Å; I149-F184 HydrophobicContact CD1-CZ 4.34Å; I149-F184 HydrophobicContact CG1-CD2 4.48Å; I149-F184 HydrophobicContact CG1-CE2 3.67Å; I149-F184 HydrophobicContact CG1-CZ 4.08Å; I149-E187 HydrophobicContact CD1-CB 4.17Å; I149-E187 HydrophobicContact CD1-CG 3.84Å; I149-W188 HydrophobicContact CD1-CB 4.25Å; I149-W188 HydrophobicContact CD1-CE3 3.99Å; I149-W188 HydrophobicContact CG1-CE3 3.39Å; I149-W188 HydrophobicContact CG1-CZ3 3.84Å |
| 150 | W | 89.1 | Confident | 90 | Very high | 184 Ų | 184 | 43.4 Ų | 43.4 | 70% | 0.697 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | -109.5 | -175.6 | -63.1 | 106 | 0 | 0 | 0 | 111.5 | G124 G125 | G124-W150 PolarHBondContact O-NE1 3.18Å; G124-W150 VanDerWaalsContact O-NE1 3.07Å; G125-W150 PolarHBondContact O-N 2.78Å |
| 151 | D | 89.8 | Confident | 90.1 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 56% | 0.561 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -17.4 | -179.8 | 61.6 | -28.2 | 0 | 0 | 0 | 113.7 | I149 N175 | I149-D151 PolarHBondContact O-N 3.48Å; D151-N175 PolarHBondContact O-ND2 3.45Å |
| 152 | R | 93.1 | Very high | 89.8 | Confident | 69 Ų | 69 | 47.3 Ų | 47.3 | 26% | 0.26 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 140.7 | 177.6 | -60.9 | -178 | -64.7 | 159.5 | 4.6 | 110.4 | H148 I149 I174 L176 F184 E187 | H148-R152 CarbonylContact C-O 3.59Å; H148-R152 VanDerWaalsContact CA-O 3.3Å; H148-R152 WeakPolarHBondContact CA-O 3.47Å; I149-R152 PolarHBondContact N-O 2.82Å; I149-R152 PolarHBondContact O-N 2.69Å; R152-I174 WeakPolarHBondContact CA-O 3.15Å; R152-L176 HydrophobicContact CB-CD1 4.46Å; R152-L176 HydrophobicContact CG-CD1 4.45Å; R152-F184 HydrophobicContact CB-CD2 4.15Å; R152-F184 HydrophobicContact CB-CE2 3.92Å; R152-E187 IonicContact CZ-OE2 3.5Å; R152-E187 IonicContact NH1-OE2 3.33Å; R152-E187 PolarHBondContact NH1-OE2 2.84Å; R152-E187 IonicContact NH2-OE1 2.88Å; R152-E187 PolarHBondContact NH2-OE1 2.97Å; R152-E187 IonicContact NH2-OE2 2.79Å; R152-E187 PolarHBondContact NH2-OE2 3.11Å |
| 153 | G | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 156.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H147 I174 | H147-G153 CarbonylContact O-C 3.58Å; H147-G153 WeakPolarHBondContact O-CA 3.32Å; G153-I174 PolarHBondContact N-O 2.79Å; G153-I174 PolarHBondContact O-N 3.28Å |
| 154 | H | 91.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 118.4 | 175.1 | 178.3 | -163 | 0 | 0 | 0 | 108.2 | G146 H147 M156 Q171 Y173 F184 D185 | G146-H154 WeakPolarHBondContact CA-O 3.32Å; H147-H154 PolarHBondContact N-O 3.43Å; H147-H154 PolarHBondContact O-N 3.03Å; H154-M156 WeakPolarHBondContact NE2-CG 3.38Å; H154-Q171 PolarHBondContact NE2-OE1 2.78Å; H154-Y173 HydrophobicContact CB-CD1 4.26Å; H154-Y173 HydrophobicContact CB-CE1 4.4Å; H154-Y173 AromaticContact CD2-CD1 3.71Å; H154-Y173 AromaticContact CD2-CE1 3.32Å; H154-Y173 WeakPolarHBondContact CD2-CE1 3.31Å; H154-Y173 AromaticContact CE1-CE1 3.93Å; H154-Y173 AromaticContact CG-CE1 3.71Å; H154-Y173 AromaticContact NE2-CE1 3.51Å; H154-Y173 AromaticContact NE2-CZ 3.92Å; H154-F184 HydrophobicContact CB-CD1 3.88Å; H154-F184 HydrophobicContact CB-CE1 3.57Å; H154-D185 IonicContact CE1-OD1 3.81Å; H154-D185 IonicContact CE1-OD2 3.64Å; H154-D185 IonicContact CG-OD1 3.91Å; H154-D185 IonicContact ND1-OD1 2.9Å; H154-D185 PolarHBondContact ND1-OD1 2.88Å; H154-D185 IonicContact ND1-OD2 3.47Å; H154-D185 PolarHBondContact ND1-OD2 3.01Å |
| 155 | V | 90.6 | Very high | 89.3 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.2 | 179.3 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | I145 Q171 D172 I174 | I145-V155 CarbonylContact O-C 3.51Å; I145-V155 WeakPolarHBondContact O-CA 3.28Å; V155-Q171 CarbonylContact O-C 3.58Å; V155-Q171 WeakPolarHBondContact O-CA 3.45Å; V155-D172 HydrophobicContact CB-CB 4.42Å; V155-D172 PolarHBondContact N-O 2.81Å; V155-D172 PolarHBondContact O-N 2.87Å; V155-I174 HydrophobicContact CG2-CD1 4Å |
| 156 | M | 91.4 | Very high | 89.3 | Confident | 26 Ų | 26 | 59 Ų | 59 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.8 | 176.2 | -66 | 172.4 | -79.6 | 0 | 0 | 109.4 | A144 I145 H154 Q171 | A144-M156 CarbonylContact C-O 3.45Å; A144-M156 WeakPolarHBondContact CA-O 3.47Å; I145-M156 PolarHBondContact N-O 2.93Å; I145-M156 PolarHBondContact O-N 2.77Å; H154-M156 WeakPolarHBondContact NE2-CG 3.38Å; M156-Q171 HydrophobicContact CG-CG 4.25Å |
| 157 | E | 89.3 | Confident | 89.2 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.5 | 174.7 | 179.1 | 173.2 | 113.6 | 0 | 0 | 110.4 | R142 L143 A144 E169 R170 | R142-E157 HydrophobicContact CG-CG 4.39Å; R142-E157 IonicContact CZ-OE1 2.99Å; R142-E157 IonicContact CZ-OE2 3.19Å; R142-E157 IonicContact NE-OE1 3.17Å; R142-E157 PolarHBondContact NE-OE1 2.95Å; R142-E157 VanDerWaalsContact NE-OE1 3.17Å; R142-E157 IonicContact NE-OE2 3.06Å; R142-E157 PolarHBondContact NE-OE2 2.9Å; R142-E157 IonicContact NH1-OE1 3.93Å; R142-E157 IonicContact NH2-OE1 2.65Å; R142-E157 PolarHBondContact NH2-OE1 2.8Å; R142-E157 IonicContact NH2-OE2 2.61Å; R142-E157 PolarHBondContact NH2-OE2 2.85Å; L143-E157 CarbonylContact O-C 3.52Å; L143-E157 WeakPolarHBondContact O-CA 3.1Å; A144-E157 HydrophobicContact CB-CB 4.49Å; E157-E169 CarbonylContact O-C 3.53Å; E157-E169 WeakPolarHBondContact O-CA 3.28Å; E157-R170 HydrophobicContact CB-CB 4.34Å; E157-R170 PolarHBondContact N-O 2.88Å; E157-R170 PolarHBondContact O-N 3.03Å |
| 158 | R | 88.2 | Confident | 89.2 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 28% | 0.279 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.3 | 175.7 | -60.5 | -171 | 172.5 | 150 | 2.3 | 109.1 | R142 L143 E168 E169 | R142-R158 CarbonylContact C-O 3.49Å; R142-R158 WeakPolarHBondContact CA-O 3.45Å; L143-R158 PolarHBondContact N-O 3.11Å; L143-R158 PolarHBondContact O-N 3.18Å; R158-E168 CarbonylContact C-O 3.59Å; R158-E168 WeakPolarHBondContact CA-O 3.38Å; R158-E169 HydrophobicContact CG-CB 4.42Å; R158-E169 HydrophobicContact CG-CG 3.95Å; R158-E169 IonicContact CZ-OE2 3.29Å; R158-E169 IonicContact NE-OE1 2.72Å; R158-E169 IonicContact NE-OE2 3.85Å; R158-E169 PolarHBondContact NE-OE2 3.33Å; R158-E169 IonicContact NH2-OE2 3.59Å |
| 159 | S | 88 | Confident | 89.1 | Confident | 19 Ų | 19 | 77.6 Ų | 77.6 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.5 | 173.7 | 89 | 0 | 0 | 0 | 0 | 109.8 | E141 R167 E168 | E141-S159 CarbonylContact O-C 3.48Å; E141-S159 WeakPolarHBondContact O-CA 3.11Å; S159-R167 WeakPolarHBondContact O-CA 3Å; S159-E168 PolarHBondContact N-O 2.99Å; S159-E168 PolarHBondContact O-N 3.34Å; S159-E168 WeakPolarHBondContact OG-CB 2.93Å; S159-E168 PolarHBondContact OG-OE2 3.04Å |
| 160 | R | 88.8 | Confident | 89.1 | Confident | 104 Ų | 104 | 84.2 Ų | 84.2 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 131.9 | 176.6 | 176.4 | 180 | 179.4 | -170.6 | 0.5 | 109.1 | E141 D166 R167 | E141-R160 PolarHBondContact N-O 3.38Å; E141-R160 PolarHBondContact O-N 3.27Å; R160-D166 CarbonylContact C-O 3.52Å; R160-D166 WeakPolarHBondContact CA-O 3.32Å; R160-R167 HydrophobicContact CB-CG 4.43Å; R160-R167 HydrophobicContact CG-CG 4.13Å |
| 161 | N | 88.1 | Confident | 89.2 | Confident | 37 Ų | 37 | 80.5 Ų | 80.5 | 20% | 0.198 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.8 | 169.3 | -168.5 | -39.4 | 0 | 0 | 0 | 109.8 | H163 T164 G165 D166 | N161-H163 VanDerWaalsContact C-N 3.31Å; N161-H163 WeakPolarHBondContact OD1-CA 3.4Å; N161-H163 WeakPolarHBondContact OD1-CB 3.32Å; N161-H163 PolarHBondContact OD1-N 3.14Å; N161-T164 VanDerWaalsContact CB-OG1 3.31Å; N161-T164 WeakPolarHBondContact CB-OG1 3.39Å; N161-T164 PolarHBondContact OD1-N 3.33Å; N161-G165 CarbonylContact O-C 3.57Å; N161-G165 WeakPolarHBondContact O-CA 3.34Å; N161-G165 PolarHBondContact O-N 3.37Å; N161-D166 HydrophobicContact CB-CB 4.5Å; N161-D166 PolarHBondContact N-O 2.58Å |
| 162 | R | 82.9 | Confident | 89.2 | Confident | 149 Ų | 149 | 78.1 Ų | 78.1 | 56% | 0.562 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -22.8 | 178.2 | -75.1 | -169.6 | 67.3 | -132.4 | 1.5 | 113.4 | G139 E141 | G139-R162 PolarHBondContact O-N 3.35Å; E141-R162 WeakPolarHBondContact OE1-CD 3.38Å |
| 163 | H | 83.9 | Confident | 89.1 | Confident | 127 Ų | 127 | 78.3 Ų | 78.3 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -47.1 | -179.1 | -62.1 | -39.3 | 0 | 0 | 0 | 112 | S138 G139 N161 | S138-H163 PolarHBondContact O-CD2 3.22Å; G139-H163 WeakPolarHBondContact CA-NE2 3.44Å; G139-H163 PolarHBondContact N-NE2 3.36Å; N161-H163 VanDerWaalsContact C-N 3.31Å; N161-H163 WeakPolarHBondContact OD1-CA 3.4Å; N161-H163 WeakPolarHBondContact OD1-CB 3.32Å; N161-H163 PolarHBondContact OD1-N 3.14Å |
| 164 | T | 86.7 | Confident | 89 | Confident | 86 Ų | 86 | 81.3 Ų | 81.3 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -23.5 | 179.8 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | N161 D166 | N161-T164 VanDerWaalsContact CB-OG1 3.31Å; N161-T164 WeakPolarHBondContact CB-OG1 3.39Å; N161-T164 PolarHBondContact OD1-N 3.33Å; T164-D166 VanDerWaalsContact C-N 3.27Å; T164-D166 WeakPolarHBondContact CB-OD2 3.3Å; T164-D166 PolarHBondContact OG1-N 2.97Å; T164-D166 PolarHBondContact OG1-OD2 2.67Å |
| 165 | G | 86.8 | Confident | 88.8 | Confident | 45 Ų | 45 | 87 Ų | 87 | 46% | 0.464 | 41% | 0.409 | S | S | . | . | trans | 85.1 | -2.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N161 | N161-G165 CarbonylContact O-C 3.57Å; N161-G165 WeakPolarHBondContact O-CA 3.34Å; N161-G165 PolarHBondContact O-N 3.37Å | ||
| 166 | D | 89.1 | Confident | 88.8 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 54% | 0.535 | 41% | 0.407 | S | S | . | . | trans | -63.1 | 143.5 | -179 | -59.9 | -37.8 | 0 | 0 | 0 | 111.2 | R160 N161 T164 | R160-D166 CarbonylContact C-O 3.52Å; R160-D166 WeakPolarHBondContact CA-O 3.32Å; N161-D166 HydrophobicContact CB-CB 4.5Å; N161-D166 PolarHBondContact N-O 2.58Å; T164-D166 VanDerWaalsContact C-N 3.27Å; T164-D166 WeakPolarHBondContact CB-OD2 3.3Å; T164-D166 PolarHBondContact OG1-N 2.97Å; T164-D166 PolarHBondContact OG1-OD2 2.67Å | ||
| 167 | R | 90.8 | Very high | 88.7 | Confident | 178 Ų | 178 | 91.5 Ų | 91.5 | 67% | 0.672 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 130.6 | 177.4 | -61.9 | -178.9 | -171.2 | -178 | 1.7 | 108.5 | S159 R160 | S159-R167 WeakPolarHBondContact O-CA 3Å; R160-R167 HydrophobicContact CB-CG 4.43Å; R160-R167 HydrophobicContact CG-CG 4.13Å |
| 168 | E | 90.6 | Very high | 88.6 | Confident | 135 Ų | 135 | 97.3 Ų | 97.3 | 63% | 0.631 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.1 | 175.6 | -55.4 | 177.6 | 160.9 | 0 | 0 | 108.7 | R158 S159 | R158-E168 CarbonylContact C-O 3.59Å; R158-E168 WeakPolarHBondContact CA-O 3.38Å; S159-E168 PolarHBondContact N-O 2.99Å; S159-E168 PolarHBondContact O-N 3.34Å; S159-E168 WeakPolarHBondContact OG-CB 2.93Å; S159-E168 PolarHBondContact OG-OE2 3.04Å |
| 169 | E | 90.8 | Very high | 88.7 | Confident | 124 Ų | 124 | 98.4 Ų | 98.4 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.3 | 173.9 | -57.3 | -163.7 | -178.7 | 0 | 0 | 108.5 | E157 R158 | E157-E169 CarbonylContact O-C 3.53Å; E157-E169 WeakPolarHBondContact O-CA 3.28Å; R158-E169 HydrophobicContact CG-CB 4.42Å; R158-E169 HydrophobicContact CG-CG 3.95Å; R158-E169 IonicContact CZ-OE2 3.29Å; R158-E169 IonicContact NE-OE1 2.72Å; R158-E169 IonicContact NE-OE2 3.85Å; R158-E169 PolarHBondContact NE-OE2 3.33Å; R158-E169 IonicContact NH2-OE2 3.59Å |
| 170 | R | 90 | Very high | 88.7 | Confident | 144 Ų | 144 | 102 Ų | 102 | 54% | 0.543 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.1 | 179.4 | 179.2 | 176.3 | 173.6 | -174.5 | -5.4 | 109.2 | E157 D172 | E157-R170 HydrophobicContact CB-CB 4.34Å; E157-R170 PolarHBondContact N-O 2.88Å; E157-R170 PolarHBondContact O-N 3.03Å; R170-D172 IonicContact CZ-OD1 3.32Å; R170-D172 VanDerWaalsContact CZ-OD1 3.32Å; R170-D172 IonicContact CZ-OD2 3.34Å; R170-D172 IonicContact NE-OD1 2.87Å; R170-D172 PolarHBondContact NE-OD1 2.78Å; R170-D172 IonicContact NE-OD2 3.14Å; R170-D172 PolarHBondContact NE-OD2 2.79Å; R170-D172 VanDerWaalsContact NE-OD2 3.14Å; R170-D172 IonicContact NH2-OD1 2.9Å; R170-D172 PolarHBondContact NH2-OD1 2.83Å; R170-D172 IonicContact NH2-OD2 3.2Å; R170-D172 PolarHBondContact NH2-OD2 3.1Å |
| 171 | Q | 91.6 | Very high | 88.7 | Confident | 106 Ų | 106 | 97.4 Ų | 97.4 | 50% | 0.495 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.6 | 175.7 | -64.2 | -179.3 | 66.8 | 0 | 0 | 107.8 | H154 V155 M156 Y173 | H154-Q171 PolarHBondContact NE2-OE1 2.78Å; V155-Q171 CarbonylContact O-C 3.58Å; V155-Q171 WeakPolarHBondContact O-CA 3.45Å; M156-Q171 HydrophobicContact CG-CG 4.25Å; Q171-Y173 PolarHBondContact OE1-OH 2.97Å |
| 172 | D | 89.9 | Confident | 88.7 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.9 | 177.7 | -64.2 | -43.9 | 0 | 0 | 0 | 109 | V155 R170 | V155-D172 HydrophobicContact CB-CB 4.42Å; V155-D172 PolarHBondContact N-O 2.81Å; V155-D172 PolarHBondContact O-N 2.87Å; R170-D172 IonicContact CZ-OD1 3.32Å; R170-D172 VanDerWaalsContact CZ-OD1 3.32Å; R170-D172 IonicContact CZ-OD2 3.34Å; R170-D172 IonicContact NE-OD1 2.87Å; R170-D172 PolarHBondContact NE-OD1 2.78Å; R170-D172 IonicContact NE-OD2 3.14Å; R170-D172 PolarHBondContact NE-OD2 2.79Å; R170-D172 VanDerWaalsContact NE-OD2 3.14Å; R170-D172 IonicContact NH2-OD1 2.9Å; R170-D172 PolarHBondContact NH2-OD1 2.83Å; R170-D172 IonicContact NH2-OD2 3.2Å; R170-D172 PolarHBondContact NH2-OD2 3.1Å |
| 173 | Y | 89.6 | Confident | 89.2 | Confident | 73 Ų | 73 | 95.2 Ų | 95.2 | 29% | 0.286 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.4 | 176.7 | -57.3 | -73.2 | 0 | 0 | 0 | 109.9 | H154 Q171 L176 E178 A181 | H154-Y173 HydrophobicContact CB-CD1 4.26Å; H154-Y173 HydrophobicContact CB-CE1 4.4Å; H154-Y173 AromaticContact CD2-CD1 3.71Å; H154-Y173 AromaticContact CD2-CE1 3.32Å; H154-Y173 WeakPolarHBondContact CD2-CE1 3.31Å; H154-Y173 AromaticContact CE1-CE1 3.93Å; H154-Y173 AromaticContact CG-CE1 3.71Å; H154-Y173 AromaticContact NE2-CE1 3.51Å; H154-Y173 AromaticContact NE2-CZ 3.92Å; Q171-Y173 PolarHBondContact OE1-OH 2.97Å; Y173-L176 HydrophobicContact CD1-CD2 4.02Å; Y173-E178 HydrophobicContact CE2-CB 4.42Å; Y173-E178 HydrophobicContact CE2-CG 4.18Å; Y173-A181 HydrophobicContact CD1-CB 4.03Å; Y173-A181 HydrophobicContact CE1-CB 3.32Å |
| 174 | I | 89.9 | Confident | 89.6 | Confident | 63 Ų | 63 | 89.2 Ų | 89.2 | 32% | 0.323 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.1 | -178.2 | -58.5 | 169.5 | 0 | 0 | 0 | 107.7 | R152 G153 V155 L176 | R152-I174 WeakPolarHBondContact CA-O 3.15Å; G153-I174 PolarHBondContact N-O 2.79Å; G153-I174 PolarHBondContact O-N 3.28Å; V155-I174 HydrophobicContact CG2-CD1 4Å; I174-L176 PolarHBondContact O-N 2.97Å; I174-L176 VanDerWaalsContact O-N 3.11Å |
| 175 | N | 88.9 | Confident | 89.6 | Confident | 120 Ų | 120 | 87 Ų | 87 | 64% | 0.642 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 50.7 | 32.6 | -178.1 | -56.4 | -40.5 | 0 | 0 | 0 | 113.3 | D151 | D151-N175 PolarHBondContact O-ND2 3.45Š|
| 176 | L | 90.4 | Very high | 89.8 | Confident | 20 Ų | 20 | 91.4 Ų | 91.4 | 11% | 0.105 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -143.3 | 140.1 | -178 | -169.8 | 87.5 | 0 | 0 | 0 | 108.3 | R152 Y173 I174 E180 A181 F184 | R152-L176 HydrophobicContact CB-CD1 4.46Å; R152-L176 HydrophobicContact CG-CD1 4.45Å; Y173-L176 HydrophobicContact CD1-CD2 4.02Å; I174-L176 PolarHBondContact O-N 2.97Å; I174-L176 VanDerWaalsContact O-N 3.11Å; L176-E180 HydrophobicContact CD1-CB 3.79Å; L176-E180 HydrophobicContact CG-CB 3.97Å; L176-A181 HydrophobicContact CD2-CB 4.34Å; L176-F184 HydrophobicContact CD1-CB 4.01Å; L176-F184 HydrophobicContact CD1-CD2 4.31Å; L176-F184 HydrophobicContact CD1-CG 4.38Å; L176-F184 HydrophobicContact CD2-CB 3.73Å; L176-F184 HydrophobicContact CD2-CD1 4.39Å; L176-F184 HydrophobicContact CD2-CG 3.97Å |
| 177 | E | 89.3 | Confident | 89.9 | Confident | 127 Ų | 127 | 90 Ų | 90 | 59% | 0.593 | 45% | 0.449 | S | S | * | . | trans | -82.5 | 153 | 171.7 | -62.7 | -172.8 | 172.7 | 0 | 0 | 111.6 | S179 E180 A181 | E177-S179 PolarHBondContact O-N 3.46Å; E177-E180 HydrophobicContact CB-CG 4.28Å; E177-E180 PolarHBondContact N-OE2 3.09Å; E177-E180 PolarHBondContact O-N 2.8Å; E177-A181 PolarHBondContact O-N 2.63Å | ||
| 178 | E | 86.9 | Confident | 89.8 | Confident | 156 Ų | 156 | 82 Ų | 82 | 73% | 0.729 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -59 | -33.4 | 177.7 | -173.9 | 178.3 | -170.8 | 0 | 0 | 112.1 | Y173 E180 A181 | Y173-E178 HydrophobicContact CE2-CB 4.42Å; Y173-E178 HydrophobicContact CE2-CG 4.18Å; E178-E180 VanDerWaalsContact C-N 3.26Å; E178-E180 PolarHBondContact O-N 3.22Å; E178-A181 WeakPolarHBondContact O-CB 3.43Å; E178-A181 PolarHBondContact O-N 3.12Å |
| 179 | S | 89.4 | Confident | 89.6 | Confident | 98 Ų | 98 | 82.4 Ų | 82.4 | 69% | 0.685 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -66 | -26.5 | 174.2 | 42.3 | 0 | 0 | 0 | 0 | 113.7 | E177 | E177-S179 PolarHBondContact O-N 3.46Š|
| 180 | E | 89.5 | Confident | 89.4 | Confident | 95 Ų | 95 | 80 Ų | 80 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -90.8 | -12.5 | -179.9 | -60.3 | -177.6 | 125.3 | 0 | 0 | 112.4 | L176 E177 E178 A182 A183 F184 | L176-E180 HydrophobicContact CD1-CB 3.79Å; L176-E180 HydrophobicContact CG-CB 3.97Å; E177-E180 HydrophobicContact CB-CG 4.28Å; E177-E180 PolarHBondContact N-OE2 3.09Å; E177-E180 PolarHBondContact O-N 2.8Å; E178-E180 VanDerWaalsContact C-N 3.26Å; E178-E180 PolarHBondContact O-N 3.22Å; E180-A182 VanDerWaalsContact C-N 3.32Å; E180-A182 PolarHBondContact O-N 3.23Å; E180-A183 PolarHBondContact O-N 3.26Å; E180-A183 VanDerWaalsContact O-N 3.09Å; E180-F184 PolarHBondContact O-N 2.87Å |
| 181 | A | 88.1 | Confident | 89.1 | Confident | 6 Ų | 6 | 75 Ų | 75 | 5% | 0.05 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -49.7 | -47.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y173 L176 E177 E178 A183 F184 D185 | Y173-A181 HydrophobicContact CD1-CB 4.03Å; Y173-A181 HydrophobicContact CE1-CB 3.32Å; L176-A181 HydrophobicContact CD2-CB 4.34Å; E177-A181 PolarHBondContact O-N 2.63Å; E178-A181 WeakPolarHBondContact O-CB 3.43Å; E178-A181 PolarHBondContact O-N 3.12Å; A181-A183 PolarHBondContact O-N 2.83Å; A181-F184 PolarHBondContact O-N 2.7Å; A181-D185 PolarHBondContact O-N 2.81Å |
| 182 | A | 88.8 | Confident | 88.5 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E180 E186 | E180-A182 VanDerWaalsContact C-N 3.32Å; E180-A182 PolarHBondContact O-N 3.23Å; A182-E186 PolarHBondContact O-N 2.97Å |
| 183 | A | 91.6 | Very high | 87.8 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 54% | 0.537 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.9 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E180 A181 D185 E186 E187 | E180-A183 PolarHBondContact O-N 3.26Å; E180-A183 VanDerWaalsContact O-N 3.09Å; A181-A183 PolarHBondContact O-N 2.83Å; A183-D185 PolarHBondContact O-N 3.25Å; A183-E186 PolarHBondContact O-N 2.9Å; A183-E187 WeakPolarHBondContact O-CB 3.48Å; A183-E187 PolarHBondContact O-N 2.93Å |
| 184 | F | 92.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 173.8 | 172.7 | -90.2 | 0 | 0 | 0 | 111.9 | H147 I149 R152 H154 L176 E180 A181 E186 E187 W188 | H147-F184 HydrophobicContact CB-CE1 4.03Å; H147-F184 HydrophobicContact CB-CZ 4.33Å; I149-F184 HydrophobicContact CB-CE2 3.87Å; I149-F184 HydrophobicContact CD1-CD2 4.08Å; I149-F184 HydrophobicContact CD1-CE2 3.75Å; I149-F184 HydrophobicContact CD1-CZ 4.34Å; I149-F184 HydrophobicContact CG1-CD2 4.48Å; I149-F184 HydrophobicContact CG1-CE2 3.67Å; I149-F184 HydrophobicContact CG1-CZ 4.08Å; R152-F184 HydrophobicContact CB-CD2 4.15Å; R152-F184 HydrophobicContact CB-CE2 3.92Å; H154-F184 HydrophobicContact CB-CD1 3.88Å; H154-F184 HydrophobicContact CB-CE1 3.57Å; L176-F184 HydrophobicContact CD1-CB 4.01Å; L176-F184 HydrophobicContact CD1-CD2 4.31Å; L176-F184 HydrophobicContact CD1-CG 4.38Å; L176-F184 HydrophobicContact CD2-CB 3.73Å; L176-F184 HydrophobicContact CD2-CD1 4.39Å; L176-F184 HydrophobicContact CD2-CG 3.97Å; E180-F184 PolarHBondContact O-N 2.87Å; A181-F184 PolarHBondContact O-N 2.7Å; F184-E186 VanDerWaalsContact C-N 3.29Å; F184-E186 PolarHBondContact O-N 3.15Å; F184-E187 PolarHBondContact O-N 3.05Å; F184-W188 HydrophobicContact CE1-CB 4.37Å; F184-W188 VanDerWaalsContact O-CB 3.24Å; F184-W188 WeakPolarHBondContact O-CB 3.38Å; F184-W188 PolarHBondContact O-N 2.81Å |
| 185 | D | 88.8 | Confident | 86.4 | Confident | 41 Ų | 41 | 75.2 Ų | 75.2 | 22% | 0.219 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66 | -31.6 | -179.4 | -76.5 | -22.2 | 0 | 0 | 0 | 112.6 | H154 A181 A183 R189 | H154-D185 IonicContact CE1-OD1 3.81Å; H154-D185 IonicContact CE1-OD2 3.64Å; H154-D185 IonicContact CG-OD1 3.91Å; H154-D185 IonicContact ND1-OD1 2.9Å; H154-D185 PolarHBondContact ND1-OD1 2.88Å; H154-D185 IonicContact ND1-OD2 3.47Å; H154-D185 PolarHBondContact ND1-OD2 3.01Å; A181-D185 PolarHBondContact O-N 2.81Å; A183-D185 PolarHBondContact O-N 3.25Å; D185-R189 WeakPolarHBondContact O-CB 3.25Å; D185-R189 VanDerWaalsContact O-CG 3.28Å; D185-R189 WeakPolarHBondContact O-CG 2.96Å; D185-R189 PolarHBondContact O-N 2.89Å; D185-R189 VanDerWaalsContact O-N 3.1Å; D185-R189 PolarHBondContact O-NE 2.69Å; D185-R189 VanDerWaalsContact O-NE 3.07Å |
| 186 | E | 90.1 | Very high | 85.3 | Confident | 136 Ų | 136 | 71.7 Ų | 71.7 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.5 | -46.9 | 171.4 | -172.4 | 171.9 | -88.4 | 0 | 0 | 111.8 | A182 A183 F184 W188 R189 S190 | A182-E186 PolarHBondContact O-N 2.97Å; A183-E186 PolarHBondContact O-N 2.9Å; F184-E186 VanDerWaalsContact C-N 3.29Å; F184-E186 PolarHBondContact O-N 3.15Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-W188 PolarHBondContact O-N 3.29Å; E186-R189 PolarHBondContact O-N 2.99Å; E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.41Å |
| 187 | E | 91 | Very high | 84 | Confident | 72 Ų | 72 | 73 Ų | 73 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 175.6 | -171 | -172 | 154 | 0 | 0 | 110.9 | I149 R152 A183 F184 S190 T191 | I149-E187 HydrophobicContact CD1-CB 4.17Å; I149-E187 HydrophobicContact CD1-CG 3.84Å; R152-E187 IonicContact CZ-OE2 3.5Å; R152-E187 IonicContact NH1-OE2 3.33Å; R152-E187 PolarHBondContact NH1-OE2 2.84Å; R152-E187 IonicContact NH2-OE1 2.88Å; R152-E187 PolarHBondContact NH2-OE1 2.97Å; R152-E187 IonicContact NH2-OE2 2.79Å; R152-E187 PolarHBondContact NH2-OE2 3.11Å; A183-E187 WeakPolarHBondContact O-CB 3.48Å; A183-E187 PolarHBondContact O-N 2.93Å; F184-E187 PolarHBondContact O-N 3.05Å; E187-S190 PolarHBondContact O-N 2.83Å; E187-T191 WeakPolarHBondContact O-CB 3.33Å; E187-T191 PolarHBondContact O-N 2.8Å; E187-T191 PolarHBondContact O-OG1 3.47Å |
| 188 | W | 89.4 | Confident | 82.5 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 3% | 0.034 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.9 | -52.5 | 177 | 178.3 | -108.7 | 0 | 0 | 0 | 111.3 | I126 R127 E128 H147 H148 I149 F184 E186 S190 T191 A192 | I126-W188 HydrophobicContact CB-CH2 4.43Å; I126-W188 HydrophobicContact CB-CZ3 4.12Å; I126-W188 HydrophobicContact CG1-CZ3 4.49Å; I126-W188 HydrophobicContact CG2-CE3 4.4Å; I126-W188 HydrophobicContact CG2-CH2 3.42Å; I126-W188 VanDerWaalsContact CG2-CH2 3.42Å; I126-W188 HydrophobicContact CG2-CZ2 4.35Å; I126-W188 HydrophobicContact CG2-CZ3 3.45Å; I126-W188 VanDerWaalsContact CG2-CZ3 3.45Å; R127-W188 VanDerWaalsContact C-CH2 3.44Å; R127-W188 WeakPolarHBondContact O-CH2 3.44Å; E128-W188 HydrophobicContact CB-CH2 4.26Å; E128-W188 HydrophobicContact CB-CZ2 3.83Å; E128-W188 HydrophobicContact CG-CZ2 4.25Å; H147-W188 HydrophobicContact CB-CD2 3.75Å; H147-W188 VanDerWaalsContact CB-CE2 3.47Å; H147-W188 HydrophobicContact CB-CE3 4.39Å; H147-W188 HydrophobicContact CB-CG 4Å; H147-W188 HydrophobicContact CB-CH2 4.49Å; H147-W188 HydrophobicContact CB-CZ2 3.85Å; H147-W188 AromaticContact CD2-CD1 3.97Å; H147-W188 AromaticContact CD2-CE2 3.53Å; H147-W188 AromaticContact CD2-CZ2 3.74Å; H147-W188 AromaticContact CD2-NE1 3.1Å; H147-W188 PolarHBondContact CD2-NE1 2.74Å; H147-W188 AromaticContact CE1-CD1 3.76Å; H147-W188 AromaticContact CE1-NE1 3.52Å; H147-W188 AromaticContact CG-CD1 3.52Å; H147-W188 AromaticContact CG-CE2 3.47Å; H147-W188 VanDerWaalsContact CG-CE2 3.47Å; H147-W188 AromaticContact CG-CZ2 3.98Å; H147-W188 AromaticContact CG-NE1 3.07Å; H147-W188 AromaticContact ND1-CD1 3.4Å; H147-W188 AromaticContact ND1-NE1 3.36Å; H147-W188 PolarHBondContact ND1-NE1 2.76Å; H147-W188 AromaticContact NE2-NE1 3.37Å; H147-W188 PolarHBondContact NE2-NE1 2.99Å; H148-W188 VanDerWaalsContact C-CZ3 3.49Å; H148-W188 WeakPolarHBondContact O-CZ3 3.33Å; I149-W188 HydrophobicContact CD1-CB 4.25Å; I149-W188 HydrophobicContact CD1-CE3 3.99Å; I149-W188 HydrophobicContact CG1-CE3 3.39Å; I149-W188 HydrophobicContact CG1-CZ3 3.84Å; F184-W188 HydrophobicContact CE1-CB 4.37Å; F184-W188 VanDerWaalsContact O-CB 3.24Å; F184-W188 WeakPolarHBondContact O-CB 3.38Å; F184-W188 PolarHBondContact O-N 2.81Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-W188 PolarHBondContact O-N 3.29Å; W188-S190 VanDerWaalsContact C-N 3.31Å; W188-S190 PolarHBondContact O-N 2.91Å; W188-T191 PolarHBondContact O-N 2.89Å; W188-A192 HydrophobicContact CD2-CB 4.29Å; W188-A192 HydrophobicContact CZ2-CB 4.37Å; W188-A192 WeakPolarHBondContact O-CA 3.38Å; W188-A192 WeakPolarHBondContact O-CB 3.43Å; W188-A192 PolarHBondContact O-N 3.28Å |
| 189 | R | 86.4 | Confident | 80.8 | Confident | 143 Ų | 143 | 66.5 Ų | 66.5 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 179.7 | -77 | -179.8 | -67.9 | 170.1 | 2 | 112.1 | D185 E186 G193 | D185-R189 WeakPolarHBondContact O-CB 3.25Å; D185-R189 VanDerWaalsContact O-CG 3.28Å; D185-R189 WeakPolarHBondContact O-CG 2.96Å; D185-R189 PolarHBondContact O-N 2.89Å; D185-R189 VanDerWaalsContact O-N 3.1Å; D185-R189 PolarHBondContact O-NE 2.69Å; D185-R189 VanDerWaalsContact O-NE 3.07Å; E186-R189 PolarHBondContact O-N 2.99Å; R189-G193 WeakPolarHBondContact O-CA 3.49Å; R189-G193 PolarHBondContact O-N 2.81Å |
| 190 | S | 86.1 | Confident | 79 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | E186 E187 W188 | E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.41Å; E187-S190 PolarHBondContact O-N 2.83Å; W188-S190 VanDerWaalsContact C-N 3.31Å; W188-S190 PolarHBondContact O-N 2.91Å |
| 191 | T | 82.6 | Confident | 76.9 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 24% | 0.239 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -83.3 | -45.4 | -174.2 | -42.8 | 0 | 0 | 0 | 0 | 111.3 | I126 E187 W188 G193 R194 | I126-T191 HydrophobicContact CD1-CG2 3.29Å; I126-T191 HydrophobicContact CG1-CG2 3.93Å; E187-T191 WeakPolarHBondContact O-CB 3.33Å; E187-T191 PolarHBondContact O-N 2.8Å; E187-T191 PolarHBondContact O-OG1 3.47Å; W188-T191 PolarHBondContact O-N 2.89Å; T191-G193 VanDerWaalsContact C-N 3.28Å; T191-G193 PolarHBondContact O-N 2.71Å; T191-R194 WeakPolarHBondContact O-CB 3.05Å; T191-R194 PolarHBondContact O-N 3.4Å |
| 192 | A | 80.8 | Confident | 74.5 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 7% | 0.066 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.7 | -29.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I126 W188 R194 Y195 | I126-A192 HydrophobicContact CG2-CB 4.42Å; W188-A192 HydrophobicContact CD2-CB 4.29Å; W188-A192 HydrophobicContact CZ2-CB 4.37Å; W188-A192 WeakPolarHBondContact O-CA 3.38Å; W188-A192 WeakPolarHBondContact O-CB 3.43Å; W188-A192 PolarHBondContact O-N 3.28Å; A192-R194 PolarHBondContact O-N 2.75Å; A192-Y195 CarbonylContact O-C 3.54Å; A192-Y195 WeakPolarHBondContact O-CA 3.35Å; A192-Y195 PolarHBondContact O-N 3.28Å |
| 193 | G | 74.1 | Confident | 72.4 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 58% | 0.577 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | R189 T191 Y195 | R189-G193 WeakPolarHBondContact O-CA 3.49Å; R189-G193 PolarHBondContact O-N 2.81Å; T191-G193 VanDerWaalsContact C-N 3.28Å; T191-G193 PolarHBondContact O-N 2.71Å; G193-Y195 PolarHBondContact O-N 3.18Å |
| 194 | R | 77.6 | Confident | 69.7 | Low | 184 Ų | 184 | 77.9 Ų | 77.9 | 69% | 0.694 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.1 | 171.7 | -57.7 | -175.9 | 180 | -148.3 | -0.3 | 112.6 | T191 A192 | T191-R194 WeakPolarHBondContact O-CB 3.05Å; T191-R194 PolarHBondContact O-N 3.4Å; A192-R194 PolarHBondContact O-N 2.75Å |
| 195 | Y | 73.5 | Confident | 67.2 | Low | 54 Ų | 54 | 88.1 Ų | 88.1 | 21% | 0.212 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -129.9 | 73 | -171.2 | -59.8 | -47.9 | 0 | 0 | 0 | 108.1 | Q92 R120 A122 I126 A192 G193 | Q92-Y195 HydrophobicContact CG-CD1 4.25Å; Q92-Y195 HydrophobicContact CG-CG 4.41Å; Q92-Y195 VanDerWaalsContact NE2-CG 3.33Å; R120-Y195 PolarHBondContact NH1-O 3.38Å; A122-Y195 HydrophobicContact CB-CD2 3.59Å; A122-Y195 HydrophobicContact CB-CE2 4.04Å; A122-Y195 HydrophobicContact CB-CG 3.95Å; I126-Y195 HydrophobicContact CD1-CD2 3.6Å; I126-Y195 HydrophobicContact CD1-CE2 3.68Å; A192-Y195 CarbonylContact O-C 3.54Å; A192-Y195 WeakPolarHBondContact O-CA 3.35Å; A192-Y195 PolarHBondContact O-N 3.28Å; G193-Y195 PolarHBondContact O-N 3.18Å |
| 196 | P | 65.8 | Low | 65 | Low | 47 Ų | 47 | 89.6 Ų | 89.6 | 31% | 0.305 | 48% | 0.482 | S | S | . | . | trans | -63 | 145 | -177.9 | 25.7 | -33.9 | 0 | 0 | 0 | 110.5 | R120 A200 | R120-P196 VanDerWaalsContact NH1-C 3.29Å; P196-A200 HydrophobicContact CB-CB 4.25Å | ||
| 197 | P | 62.2 | Low | 62.4 | Low | 46 Ų | 46 | 93.4 Ų | 93.4 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | trans | -62 | 151.4 | 176.2 | 23.8 | -30.5 | 0 | 0 | 0 | 109.5 | N199 A200 | P197-N199 PolarHBondContact O-N 3Å; P197-A200 HydrophobicContact CG-CB 3.65Å; P197-A200 WeakPolarHBondContact O-CB 3.47Å; P197-A200 PolarHBondContact O-N 2.8Å | ||
| 198 | P | 57 | Low | 59.8 | Low | 70 Ų | 70 | 97 Ų | 97 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -53.4 | -29.7 | 178.4 | 15.4 | -25.4 | 0 | 0 | 0 | 112.1 | F94 R201 | F94-P198 HydrophobicContact CG-CG 4.45Å; P198-R201 PolarHBondContact O-N 3.23Å |
| 199 | N | 52.7 | Low | 57.3 | Low | 78 Ų | 78 | 107.7 Ų | 107.7 | 42% | 0.417 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -75.7 | -21.7 | -179.9 | -37 | 1.2 | 0 | 0 | 0 | 113.1 | A20 P197 | A20-N199 HydrophobicContact CB-CB 4.49Å; P197-N199 PolarHBondContact O-N 3Å |
| 200 | A | 50.1 | Low | 55.5 | Low | 64 Ų | 64 | 112.5 Ų | 112.5 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -83.2 | -16.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P196 P197 G202 | P196-A200 HydrophobicContact CB-CB 4.25Å; P197-A200 HydrophobicContact CG-CB 3.65Å; P197-A200 WeakPolarHBondContact O-CB 3.47Å; P197-A200 PolarHBondContact O-N 2.8Å; A200-G202 PolarHBondContact O-N 3.48Å |
| 201 | R | 46.2 | Very low | 53.3 | Low | 188 Ų | 188 | 113.2 Ų | 113.2 | 71% | 0.709 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -75.9 | 82 | 159.1 | -71.5 | -166.7 | 173.1 | 139.7 | 1.7 | 106.9 | P198 I203 | P198-R201 PolarHBondContact O-N 3.23Å; R201-I203 PolarHBondContact O-N 2.85Å |
| 202 | G | 37.6 | Very low | 51.5 | Low | 52 Ų | 52 | 115.5 Ų | 115.5 | 54% | 0.536 | 61% | 0.612 | S | S | . | * | trans | -42 | 115.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | A200 D204 | A200-G202 PolarHBondContact O-N 3.48Å; G202-D204 PolarHBondContact O-N 2.7Å | ||
| 203 | I | 45.3 | Very low | 49.4 | Very low | 131 Ų | 131 | 118.6 Ų | 118.6 | 67% | 0.672 | 65% | 0.645 | S | S | * | * | trans | -63 | 91.3 | 168.5 | -64.4 | -177 | 0 | 0 | 0 | 104.5 | R201 Y205 | R201-I203 PolarHBondContact O-N 2.85Å; I203-Y205 HydrophobicContact CB-CD2 4.37Å; I203-Y205 HydrophobicContact CG2-CD2 2.97Å; I203-Y205 HydrophobicContact CG2-CE2 3.07Å; I203-Y205 HydrophobicContact CG2-CG 3.78Å; I203-Y205 PolarHBondContact O-N 2.83Å | ||
| 204 | D | 34.7 | Very low | 47.9 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | trans | -68.8 | 65.5 | 169.6 | -83.3 | -56.1 | 0 | 0 | 0 | 108.3 | G202 G206 | G202-D204 PolarHBondContact O-N 2.7Å; D204-G206 PolarHBondContact O-N 3.42Å | ||
| 205 | Y | 39.8 | Very low | 46.2 | Very low | 217 Ų | 217 | 125.2 Ų | 125.2 | 85% | 0.851 | 67% | 0.669 | S | S | * | * | trans | -76.3 | 97.5 | 155.7 | -74.7 | -56.7 | 0 | 0 | 0 | 106.7 | I203 | I203-Y205 HydrophobicContact CB-CD2 4.37Å; I203-Y205 HydrophobicContact CG2-CD2 2.97Å; I203-Y205 HydrophobicContact CG2-CE2 3.07Å; I203-Y205 HydrophobicContact CG2-CG 3.78Å; I203-Y205 PolarHBondContact O-N 2.83Å | ||
| 206 | G | 41.7 | Very low | 44.8 | Very low | 71 Ų | 71 | 130.4 Ų | 130.4 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | trans | 114.8 | 39.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | D204 | D204-G206 PolarHBondContact O-N 3.42Š| ||
| 207 | R | 36 | Very low | 43.6 | Very low | 216 Ų | 216 | 132.7 Ų | 132.7 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | trans | -110.1 | 79.6 | 151.9 | -156 | 166.7 | -159.2 | -177.5 | 5.1 | 110.1 | R209 | R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 PolarHBondContact O-N 2.79Å | ||
| 208 | D | 35.9 | Very low | 42.6 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -46.8 | 97.2 | 153.5 | -87.7 | -60.1 | 0 | 0 | 0 | 108.5 | R210 | D208-R210 PolarHBondContact O-N 3.34Š| ||
| 209 | R | 38.6 | Very low | 41.6 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -66.9 | 89 | 157.5 | -72.8 | -169.9 | -165.1 | -179.9 | 5.1 | 106.2 | R207 A211 | R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 PolarHBondContact O-N 2.79Å; R209-A211 PolarHBondContact O-N 3.03Å | ||
| 210 | R | 47.6 | Very low | 41.2 | Very low | 245 Ų | 245 | 141 Ų | 141 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -61.3 | 85.6 | 154.4 | -74 | -175.7 | -179.4 | 172.4 | 0.7 | 108.2 | D208 | D208-R210 PolarHBondContact O-N 3.34Š| ||
| 211 | A | 39 | Very low | 41.1 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -174.7 | 104.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R209 | R209-A211 PolarHBondContact O-N 3.03Š|
| 212 | G | 45.8 | Very low | 41.1 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | 40.6 | 111.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 213 | G | 37.2 | Very low | 41.2 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -178.3 | 85.3 | 165 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 214 | Q | 42.3 | Very low | 40.6 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | 32.8 | 108.1 | 150.7 | -61.6 | 173.3 | 45.4 | 0 | 0 | 118.3 | L216 | Q214-L216 PolarHBondContact O-N 2.65Å; Q214-L216 VanDerWaalsContact O-N 3.11Å | ||
| 215 | Q | 42.2 | Very low | 40.6 | Very low | 201 Ų | 201 | 142 Ų | 142 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | trans | -59.6 | 109.2 | 160.1 | -70 | 179.9 | -13.2 | 0 | 0 | 109.4 | A217 | Q215-A217 PolarHBondContact O-N 3.47Š| ||
| 216 | L | 43.4 | Very low | 40.4 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | trans | -78.6 | 100.7 | 167.3 | -71.2 | 167.6 | 0 | 0 | 0 | 108 | Q214 | Q214-L216 PolarHBondContact O-N 2.65Å; Q214-L216 VanDerWaalsContact O-N 3.11Å | ||
| 217 | A | 40.3 | Very low | 41 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | -66.6 | 134.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q215 A219 | Q215-A217 PolarHBondContact O-N 3.47Å; A217-A219 PolarHBondContact O-N 3.48Å | ||
| 218 | L | 42.1 | Very low | 41.6 | Very low | 181 Ų | 181 | 135 Ų | 135 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | trans | -59.1 | 113.1 | 170.7 | -72.5 | 152.3 | 0 | 0 | 0 | 109.5 | ||||
| 219 | A | 35.8 | Very low | 41.7 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 121.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A217 | A217-A219 PolarHBondContact O-N 3.48Š|
| 220 | A | 43.8 | Very low | 42.1 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 153.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 221 | P | 48.7 | Very low | 41.6 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 161.8 | -175.7 | 28.2 | -34.6 | 0 | 0 | 0 | 114.5 | ||
| 222 | P | 46.2 | Very low | 41.7 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 133.3 | -156.9 | 33.3 | -35.4 | 0 | 0 | 0 | 117.1 | ||
| 223 | S | 38.2 | Very low | 41.1 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 29.5 | 125.2 | 137.3 | -39.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 224 | S | 33.8 | Very low | 41.1 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -153.8 | 131.2 | 137.6 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 225 | S | 34.2 | Very low | 41.5 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 76.2 | 116.6 | 161.6 | 65.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 226 | S | 35.8 | Very low | 41.4 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -88.9 | -174.5 | 157 | -69.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 227 | P | 54 | Low | 41.5 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | cis | -127.5 | -154.4 | -39.9 | 32.4 | -9.8 | 0 | 0 | 0 | 109.3 | ||||
| 228 | P | 48.5 | Very low | 41.9 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | cis | -134.3 | 179.8 | -1.4 | 38.2 | -15.6 | 0 | 0 | 0 | 117.1 | ||||
| 229 | A | 38.9 | Very low | 42.7 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -62.9 | 169.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 230 | P | 46.4 | Very low | 43.5 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | -152.6 | 158.8 | 73 | 36.5 | -14.5 | 0 | 0 | 0 | 118.4 | |||||
| 231 | R | 38.1 | Very low | 43.8 | Very low | 235 Ų | 235 | 136.8 Ų | 136.8 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 45.2 | 119.5 | 138 | -58.4 | 171.7 | -172.4 | -121.1 | 1.7 | 120.1 | ||||
| 232 | H | 40.4 | Very low | 43.8 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | -157 | 143.1 | 116.2 | -142.9 | -94.8 | 0 | 0 | 0 | 112.9 | |||||
| 233 | E | 33.7 | Very low | 44.2 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -97.5 | 145.3 | -171.1 | 173.9 | 177.4 | 129.4 | 0 | 0 | 110.1 | ||||
| 234 | S | 37.4 | Very low | 45.1 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 169.9 | 154.6 | 141.4 | -92.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 235 | P | 49.1 | Very low | 45.4 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | -132.9 | -175.6 | -112.1 | 32.4 | -11 | 0 | 0 | 0 | 114.8 | |||||
| 236 | R | 40.6 | Very low | 46.1 | Very low | 219 Ų | 219 | 153.8 Ų | 153.8 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 95.8 | 107.3 | 157.5 | -55.1 | 176.2 | -175.4 | 173.5 | 2.1 | 114.9 | ||||
| 237 | H | 45.5 | Very low | 46.9 | Very low | 194 Ų | 194 | 155.2 Ų | 155.2 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | -156.2 | 120.1 | 111.6 | -91.9 | -70.4 | 0 | 0 | 0 | 108.5 | |||||
| 238 | L | 48.2 | Very low | 46.7 | Very low | 170 Ų | 170 | 164.4 Ų | 164.4 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 135.6 | 175.1 | -75.8 | 132.7 | 0 | 0 | 0 | 110.4 | ||
| 239 | P | 58.6 | Low | 46.7 | Very low | 117 Ų | 117 | 166.5 Ų | 166.5 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -93 | 137.3 | 158 | 32.7 | -28.5 | 0 | 0 | 0 | 110.6 | ||
| 240 | P | 54 | Low | 47.1 | Very low | 125 Ų | 125 | 170.4 Ų | 170.4 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 120.6 | 167.7 | 29.7 | -28.9 | 0 | 0 | 0 | 112 | ||
| 241 | A | 50 | Low | 47.1 | Very low | 93 Ų | 93 | 173.7 Ų | 173.7 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | 48.9 | 113.8 | 135.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 242 | T | 47.4 | Very low | 47.6 | Very low | 138 Ų | 138 | 170.1 Ų | 170.1 | 85% | 0.847 | 84% | 0.839 | S | S | * | * | trans | -52.6 | 140.4 | 151.4 | 46.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 243 | R | 56.5 | Low | 48.1 | Very low | 239 Ų | 239 | 168.9 Ų | 168.9 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -138 | 147.2 | 144.8 | -80.2 | -163.5 | 172.1 | -159.8 | -1.5 | 111.4 | ||||
| 244 | P | 56.6 | Low | 49 | Very low | 121 Ų | 121 | 169.2 Ų | 169.2 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | trans | -89.3 | 162.2 | -169.9 | 11.8 | 7.6 | 0 | 0 | 0 | 113.2 | ||||
| 245 | R | 39.7 | Very low | 49.9 | Very low | 231 Ų | 231 | 173.4 Ų | 173.4 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | trans | -45.7 | 145.6 | 168.7 | -79.3 | -176.8 | 146.4 | 169 | -6.5 | 113.7 | ||||
| 246 | Y | 47.8 | Very low | 49.9 | Very low | 227 Ų | 227 | 179.1 Ų | 179.1 | 89% | 0.89 | 86% | 0.861 | S | S | * | * | trans | -124.2 | 132.8 | 149.9 | -112.7 | -93.1 | 0 | 0 | 0 | 108.5 | ||||
| 247 | D | 52.9 | Low | 50.7 | Low | 143 Ų | 143 | 175.8 Ų | 175.8 | 77% | 0.765 | 86% | 0.864 | S | S | * | * | trans | -76.7 | 136.6 | 166.9 | -75.2 | -66.8 | 0 | 0 | 0 | 110.4 | ||||
| 248 | W | 51.3 | Low | 51.2 | Low | 311 Ų | 311 | 174.1 Ų | 174.1 | 100% | 1.178 | 86% | 0.861 | S | S | * | * | trans | -168.2 | 0 | 130.9 | 56.7 | -89.5 | 0 | 0 | 0 | 109.3 |
Retrieved 248 of 248 residues in 598.2 ms
(Link to these results)