| 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 | 32.5 | Very low | 33 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 100% | 1.074 | 71% | 0.707 | S | S | * | * | 0 | 119.5 | 0 | -158.7 | 160.9 | 94.6 | 0 | 0 | 107.3 | I3 | M1-I3 PolarHBondContact O-N 3.12Å; M1-I3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | R | 27.3 | Very low | 33.8 | Very low | 230 Ų | 230 | 147.3 Ų | 147.3 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | trans | -64.2 | 111.2 | -167.7 | -73.4 | -178.5 | -174.5 | 179.7 | 1.8 | 110.5 | Y4 | R2-Y4 PolarHBondContact O-N 3.14Š| ||
| 3 | I | 28.9 | Very low | 34.8 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | trans | -77.8 | 108.3 | 177.8 | -62.6 | 169.9 | 0 | 0 | 0 | 107.3 | M1 Q5 | M1-I3 PolarHBondContact O-N 3.12Å; M1-I3 VanDerWaalsContact O-N 3.12Å; I3-Q5 PolarHBondContact O-N 3.37Å; I3-Q5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | Y | 31.4 | Very low | 35.8 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 76% | 0.761 | 66% | 0.664 | S | S | * | * | trans | -70.9 | 102.4 | 166.1 | -71 | -90.5 | 0 | 0 | 0 | 107.8 | R2 L6 | R2-Y4 PolarHBondContact O-N 3.14Å; Y4-L6 PolarHBondContact O-N 2.82Å | ||
| 5 | Q | 28.6 | Very low | 36.6 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | trans | -67.7 | 94.7 | 170.4 | -78.2 | 176.5 | -59.1 | 0 | 0 | 109.1 | I3 H7 | I3-Q5 PolarHBondContact O-N 3.37Å; I3-Q5 VanDerWaalsContact O-N 3.14Å; Q5-H7 PolarHBondContact O-N 3.08Å; Q5-H7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | L | 37.5 | Very low | 37.5 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 48% | 0.476 | 66% | 0.66 | S | S | . | * | trans | -71.3 | 97.7 | 158.2 | -75.5 | 165.5 | 0 | 0 | 0 | 107.1 | Y4 Y8 | Y4-L6 PolarHBondContact O-N 2.82Å; L6-Y8 HydrophobicContact CB-CD2 4.04Å; L6-Y8 HydrophobicContact CB-CE2 3.63Å; L6-Y8 HydrophobicContact CD1-CE2 4.31Å; L6-Y8 WeakPolarHBondContact O-CD2 3.42Å; L6-Y8 PolarHBondContact O-N 3.17Å | ||
| 7 | H | 34.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 61% | 0.606 | 63% | 0.629 | S | S | * | * | trans | -65.5 | 92.7 | 174 | -89.2 | -107.7 | 0 | 0 | 0 | 110.1 | Q5 N9 | Q5-H7 PolarHBondContact O-N 3.08Å; Q5-H7 VanDerWaalsContact O-N 3.08Å; H7-N9 VanDerWaalsContact C-N 3.33Å; H7-N9 PolarHBondContact O-N 3.4Å | ||
| 8 | Y | 42.1 | Very low | 39.5 | Very low | 70 Ų | 70 | 118.5 Ų | 118.5 | 28% | 0.275 | 60% | 0.599 | S | S | . | * | trans | -84.4 | 77.7 | 165.9 | -72.6 | -80.3 | 0 | 0 | 0 | 109.1 | L6 G10 L13 A17 | L6-Y8 HydrophobicContact CB-CD2 4.04Å; L6-Y8 HydrophobicContact CB-CE2 3.63Å; L6-Y8 HydrophobicContact CD1-CE2 4.31Å; L6-Y8 WeakPolarHBondContact O-CD2 3.42Å; L6-Y8 PolarHBondContact O-N 3.17Å; Y8-G10 PolarHBondContact O-N 2.77Å; Y8-L13 HydrophobicContact CD1-CD2 3.39Å; Y8-L13 HydrophobicContact CE1-CD2 3.24Å; Y8-A17 HydrophobicContact CD1-CB 4.41Å; Y8-A17 HydrophobicContact CE1-CB 3.65Å | ||
| 9 | N | 34.2 | Very low | 40.5 | Very low | 131 Ų | 131 | 116.4 Ų | 116.4 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | trans | -71.8 | 95.2 | 175.9 | -77.4 | -14.6 | 0 | 0 | 0 | 110.1 | H7 C11 | H7-N9 VanDerWaalsContact C-N 3.33Å; H7-N9 PolarHBondContact O-N 3.4Å; N9-C11 PolarHBondContact O-N 3.09Å | ||
| 10 | G | 32.9 | Very low | 42.4 | Very low | 85 Ų | 85 | 111.4 Ų | 111.4 | 88% | 0.876 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 50.6 | -4.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | Y8 | Y8-G10 PolarHBondContact O-N 2.77Š|
| 11 | C | 32.9 | Very low | 44.7 | Very low | 101 Ų | 101 | 106.2 Ų | 106.2 | 68% | 0.682 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -158.1 | 104.3 | -173.4 | -117.2 | 0 | 0 | 0 | 0 | 108.7 | N9 | N9-C11 PolarHBondContact O-N 3.09Š|
| 12 | Y | 42.5 | Very low | 47.5 | Very low | 218 Ų | 218 | 96 Ų | 96 | 86% | 0.855 | 50% | 0.501 | S | S | * | . | trans | 56 | 122.1 | 175.2 | -62 | -89.4 | 0 | 0 | 0 | 116 | S14 | Y12-S14 PolarHBondContact O-N 3.15Š| ||
| 13 | L | 47.4 | Very low | 50.6 | Low | 49 Ų | 49 | 87.7 Ų | 87.7 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | trans | -56.7 | 113 | 164.4 | -65.9 | 172.9 | 0 | 0 | 0 | 108 | Y8 A17 L18 K166 | Y8-L13 HydrophobicContact CD1-CD2 3.39Å; Y8-L13 HydrophobicContact CE1-CD2 3.24Å; L13-A17 HydrophobicContact CD2-CB 4.45Å; L13-L18 HydrophobicContact CB-CD2 3.77Å; L13-L18 HydrophobicContact CB-CG 4.17Å; L13-L18 HydrophobicContact CD1-CD2 3.57Å; L13-L18 HydrophobicContact CG-CD2 4.32Å; L13-K166 HydrophobicContact CD1-CB 3.38Å; L13-K166 HydrophobicContact CG-CB 4.36Å | ||
| 14 | S | 48.7 | Very low | 53.6 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 41% | 0.406 | 47% | 0.473 | S | S | . | . | trans | -58.5 | 155.3 | 171.2 | 63.2 | 0 | 0 | 0 | 0 | 109.3 | Y12 S16 A17 L18 | Y12-S14 PolarHBondContact O-N 3.15Å; S14-S16 PolarHBondContact O-N 3.39Å; S14-S16 VanDerWaalsContact O-N 3.15Å; S14-S16 PolarHBondContact OG-OG 3.39Å; S14-A17 WeakPolarHBondContact O-CB 3.32Å; S14-A17 PolarHBondContact O-N 3.49Å; S14-A17 WeakPolarHBondContact OG-CB 3.34Å; S14-A17 PolarHBondContact OG-N 3.38Å; S14-L18 PolarHBondContact O-N 3.46Å; S14-L18 VanDerWaalsContact O-N 3.13Å | ||
| 15 | H | 48.2 | Very low | 56.4 | Low | 139 Ų | 139 | 81 Ų | 81 | 64% | 0.644 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -54.6 | -34.9 | 177.2 | -162.3 | 77 | 0 | 0 | 0 | 111.9 | L18 A19 | H15-L18 PolarHBondContact O-N 3.31Å; H15-A19 PolarHBondContact O-N 3.27Å |
| 16 | S | 50.3 | Low | 59.5 | Low | 90 Ų | 90 | 74.7 Ų | 74.7 | 63% | 0.629 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.7 | -35.3 | 173.3 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | S14 L18 A19 | S14-S16 PolarHBondContact O-N 3.39Å; S14-S16 VanDerWaalsContact O-N 3.15Å; S14-S16 PolarHBondContact OG-OG 3.39Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-A19 PolarHBondContact O-N 2.89Å |
| 17 | A | 55.9 | Low | 62.3 | Low | 16 Ų | 16 | 73.2 Ų | 73.2 | 13% | 0.132 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -75.7 | -25 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y8 L13 S14 A20 | Y8-A17 HydrophobicContact CD1-CB 4.41Å; Y8-A17 HydrophobicContact CE1-CB 3.65Å; L13-A17 HydrophobicContact CD2-CB 4.45Å; S14-A17 WeakPolarHBondContact O-CB 3.32Å; S14-A17 PolarHBondContact O-N 3.49Å; S14-A17 WeakPolarHBondContact OG-CB 3.34Å; S14-A17 PolarHBondContact OG-N 3.38Å; A17-A20 PolarHBondContact O-N 2.83Å |
| 18 | L | 55.5 | Low | 65.2 | Low | 14 Ų | 14 | 73.8 Ų | 73.8 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 171.5 | -64.3 | 173 | 0 | 0 | 0 | 111.7 | L13 S14 H15 S16 A20 V21 P65 | L13-L18 HydrophobicContact CB-CD2 3.77Å; L13-L18 HydrophobicContact CB-CG 4.17Å; L13-L18 HydrophobicContact CD1-CD2 3.57Å; L13-L18 HydrophobicContact CG-CD2 4.32Å; S14-L18 PolarHBondContact O-N 3.46Å; S14-L18 VanDerWaalsContact O-N 3.13Å; H15-L18 PolarHBondContact O-N 3.31Å; S16-L18 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.15Å; L18-V21 PolarHBondContact O-N 3.13Å; L18-P65 HydrophobicContact CB-CG 4.04Å; L18-P65 HydrophobicContact CD2-CG 4.24Å; L18-P65 WeakPolarHBondContact O-CG 3.31Å |
| 19 | A | 57.8 | Low | 67.7 | Low | 79 Ų | 79 | 73.9 Ų | 73.9 | 65% | 0.653 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.8 | -28.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | H15 S16 | H15-A19 PolarHBondContact O-N 3.27Å; S16-A19 PolarHBondContact O-N 2.89Å |
| 20 | A | 79.2 | Confident | 70.6 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 12% | 0.124 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -79.9 | -16.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | A17 L18 F22 D23 | A17-A20 PolarHBondContact O-N 2.83Å; L18-A20 PolarHBondContact O-N 3.15Å; A20-F22 PolarHBondContact O-N 2.94Å; A20-D23 WeakPolarHBondContact CA-OD2 3.33Å; A20-D23 PolarHBondContact O-N 3.22Å |
| 21 | V | 89.8 | Confident | 73.6 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33.7 | -175.1 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | L18 N26 P65 L213 V214 | L18-V21 PolarHBondContact O-N 3.13Å; V21-N26 PolarHBondContact O-ND2 3.01Å; V21-P65 HydrophobicContact CB-CB 4.02Å; V21-P65 HydrophobicContact CB-CG 3.98Å; V21-P65 HydrophobicContact CG1-CB 4.09Å; V21-P65 HydrophobicContact CG2-CB 4.27Å; V21-P65 HydrophobicContact CG2-CG 4.04Å; V21-L213 HydrophobicContact CG1-CD1 4.29Å; V21-L213 HydrophobicContact CG1-CD2 4.18Å; V21-L213 HydrophobicContact CG1-CG 4.15Å; V21-V214 HydrophobicContact CG1-CG1 4.18Å |
| 22 | F | 93.1 | Very high | 76.5 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.022 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 21.4 | -179.3 | -56 | -37 | 0 | 0 | 0 | 113.9 | A20 L58 A59 I60 P65 W119 R140 L213 | A20-F22 PolarHBondContact O-N 2.94Å; F22-L58 HydrophobicContact CD1-CB 4.3Å; F22-L58 HydrophobicContact CD1-CD1 4.25Å; F22-L58 HydrophobicContact CE1-CB 3.69Å; F22-L58 HydrophobicContact CE1-CD1 3.9Å; F22-L58 HydrophobicContact CE1-CD2 4.13Å; F22-L58 HydrophobicContact CE1-CG 4.12Å; F22-L58 HydrophobicContact CE2-CB 4.22Å; F22-L58 HydrophobicContact CZ-CB 3.66Å; F22-L58 HydrophobicContact CZ-CD2 4.34Å; F22-L58 HydrophobicContact CZ-CG 4.43Å; F22-A59 WeakPolarHBondContact CE2-O 3.44Å; F22-I60 HydrophobicContact CD2-CD1 3.56Å; F22-I60 HydrophobicContact CD2-CG1 4.17Å; F22-I60 HydrophobicContact CE2-CD1 3.78Å; F22-I60 HydrophobicContact CE2-CG1 4.47Å; F22-P65 HydrophobicContact CD2-CB 4.4Å; F22-P65 HydrophobicContact CE2-CB 3.75Å; F22-P65 HydrophobicContact CZ-CB 3.87Å; F22-W119 HydrophobicContact CB-CH2 4.35Å; F22-W119 HydrophobicContact CB-CZ2 4.4Å; F22-W119 AromaticContact CD1-CH2 3.97Å; F22-W119 HydrophobicContact CD1-CH2 3.97Å; F22-R140 HydrophobicContact CB-CG 4.48Å; F22-R140 PolarHBondContact O-NH1 3.23Å; F22-L213 HydrophobicContact CD1-CD1 4.14Å; F22-L213 HydrophobicContact CE1-CD1 4.07Å; F22-L213 HydrophobicContact CE1-CD2 3.94Å |
| 23 | D | 91.2 | Very high | 79 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -70.6 | 170.5 | 174.8 | 73.1 | 30.2 | 0 | 0 | 0 | 112.2 | A20 D25 N26 K27 | A20-D23 WeakPolarHBondContact CA-OD2 3.33Å; A20-D23 PolarHBondContact O-N 3.22Å; D23-D25 PolarHBondContact O-N 2.66Å; D23-D25 PolarHBondContact OD1-N 2.99Å; D23-D25 VanDerWaalsContact OD1-N 3.15Å; D23-N26 VanDerWaalsContact OD1-CB 3.32Å; D23-N26 WeakPolarHBondContact OD1-CB 3.49Å; D23-N26 PolarHBondContact OD1-N 2.7Å; D23-K27 VanDerWaalsContact O-CB 3.28Å; D23-K27 WeakPolarHBondContact O-CB 3.49Å; D23-K27 PolarHBondContact O-N 3.25Å |
| 24 | S | 91.8 | Very high | 81.2 | Confident | 104 Ų | 104 | 54.3 Ų | 54.3 | 73% | 0.727 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.7 | -34.1 | -174.1 | -52.3 | 0 | 0 | 0 | 0 | 113.3 | R28 | S24-R28 PolarHBondContact O-N 2.98Å; S24-R28 VanDerWaalsContact O-N 3.09Å |
| 25 | D | 90.9 | Very high | 83.2 | Confident | 94 Ų | 94 | 57.9 Ų | 57.9 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.8 | -44.1 | 179.3 | -83.2 | -40.4 | 0 | 0 | 0 | 110.9 | D23 K27 R28 R29 | D23-D25 PolarHBondContact O-N 2.66Å; D23-D25 PolarHBondContact OD1-N 2.99Å; D23-D25 VanDerWaalsContact OD1-N 3.15Å; D25-K27 VanDerWaalsContact C-N 3.34Å; D25-R28 PolarHBondContact O-N 3.49Å; D25-R28 IonicContact OD1-CZ 3.63Å; D25-R28 IonicContact OD1-NH1 3.87Å; D25-R28 IonicContact OD1-NH2 2.82Å; D25-R28 PolarHBondContact OD1-NH2 3.34Å; D25-R29 PolarHBondContact O-N 3.11Å |
| 26 | N | 93.3 | Very high | 85.2 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.112 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 175.7 | -158.3 | 52.2 | 0 | 0 | 0 | 111.4 | V21 D23 R29 T30 L213 | V21-N26 PolarHBondContact O-ND2 3.01Å; D23-N26 VanDerWaalsContact OD1-CB 3.32Å; D23-N26 WeakPolarHBondContact OD1-CB 3.49Å; D23-N26 PolarHBondContact OD1-N 2.7Å; N26-R29 PolarHBondContact OD1-NE 2.91Å; N26-R29 PolarHBondContact OD1-NH2 2.66Å; N26-T30 WeakPolarHBondContact O-CB 3.3Å; N26-T30 PolarHBondContact O-N 2.78Å; N26-T30 PolarHBondContact O-OG1 3.33Å; N26-L213 PolarHBondContact ND2-O 3.13Å |
| 27 | K | 95.8 | Very high | 86.9 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.4 | -57.8 | 170.1 | 174.7 | 178.6 | 178.7 | 177.3 | 0 | 110.5 | D23 D25 R29 T30 V31 D117 W119 | D23-K27 VanDerWaalsContact O-CB 3.28Å; D23-K27 WeakPolarHBondContact O-CB 3.49Å; D23-K27 PolarHBondContact O-N 3.25Å; D25-K27 VanDerWaalsContact C-N 3.34Å; K27-R29 PolarHBondContact O-N 3.3Å; K27-T30 PolarHBondContact O-N 3.37Å; K27-T30 VanDerWaalsContact O-N 3.09Å; K27-V31 HydrophobicContact CG-CG2 4.32Å; K27-V31 WeakPolarHBondContact O-CG2 3.3Å; K27-V31 PolarHBondContact O-N 2.95Å; K27-D117 VanDerWaalsContact NZ-CG 3.34Å; K27-D117 IonicContact NZ-OD1 3.33Å; K27-D117 PolarHBondContact NZ-OD1 3.28Å; K27-D117 IonicContact NZ-OD2 2.7Å; K27-D117 PolarHBondContact NZ-OD2 3.37Å; K27-W119 HydrophobicContact CB-CD2 4.43Å; K27-W119 HydrophobicContact CB-CH2 3.87Å; K27-W119 HydrophobicContact CB-CZ2 3.72Å; K27-W119 HydrophobicContact CB-CZ3 4.3Å; K27-W119 HydrophobicContact CD-CD2 4.37Å; K27-W119 HydrophobicContact CD-CG 4.46Å; K27-W119 HydrophobicContact CD-CZ2 4.19Å; K27-W119 VanDerWaalsContact CE-CD1 3.48Å; K27-W119 HydrophobicContact CG-CD2 3.84Å; K27-W119 HydrophobicContact CG-CE3 4.3Å; K27-W119 HydrophobicContact CG-CG 4.2Å; K27-W119 HydrophobicContact CG-CH2 4.32Å; K27-W119 HydrophobicContact CG-CZ2 3.87Å |
| 28 | R | 95.3 | Very high | 88.1 | Confident | 144 Ų | 144 | 55.8 Ų | 55.8 | 54% | 0.543 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -52.4 | -52.4 | -178.7 | -179.6 | -178.5 | 61.8 | -139.2 | -17.3 | 111.6 | S24 D25 T30 V31 E32 | S24-R28 PolarHBondContact O-N 2.98Å; S24-R28 VanDerWaalsContact O-N 3.09Å; D25-R28 PolarHBondContact O-N 3.49Å; D25-R28 IonicContact OD1-CZ 3.63Å; D25-R28 IonicContact OD1-NH1 3.87Å; D25-R28 IonicContact OD1-NH2 2.82Å; D25-R28 PolarHBondContact OD1-NH2 3.34Å; R28-T30 VanDerWaalsContact C-N 3.31Å; R28-T30 PolarHBondContact O-N 2.69Å; R28-V31 PolarHBondContact O-N 3.09Å; R28-E32 WeakPolarHBondContact CG-OE1 3.28Å; R28-E32 WeakPolarHBondContact O-CG 3.49Å; R28-E32 PolarHBondContact O-N 2.89Å |
| 29 | R | 94.1 | Very high | 89.2 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 27% | 0.268 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 179.7 | -171.4 | -167 | 61 | 63.7 | 5.6 | 112.6 | D25 N26 K27 C33 A212 L213 P215 | D25-R29 PolarHBondContact O-N 3.11Å; N26-R29 PolarHBondContact OD1-NE 2.91Å; N26-R29 PolarHBondContact OD1-NH2 2.66Å; K27-R29 PolarHBondContact O-N 3.3Å; R29-C33 VanDerWaalsContact O-CB 3.3Å; R29-C33 WeakPolarHBondContact O-CB 3.42Å; R29-C33 PolarHBondContact O-N 3.06Å; R29-C33 VanDerWaalsContact O-N 3.09Å; R29-A212 PolarHBondContact NH1-O 2.86Å; R29-A212 PolarHBondContact NH2-O 3.33Å; R29-L213 PolarHBondContact NH2-O 3.21Å; R29-P215 VanDerWaalsContact NH2-CD 3.25Å |
| 30 | T | 95.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 179.1 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | N26 K27 R28 C33 L34 W119 A212 L213 | N26-T30 WeakPolarHBondContact O-CB 3.3Å; N26-T30 PolarHBondContact O-N 2.78Å; N26-T30 PolarHBondContact O-OG1 3.33Å; K27-T30 PolarHBondContact O-N 3.37Å; K27-T30 VanDerWaalsContact O-N 3.09Å; R28-T30 VanDerWaalsContact C-N 3.31Å; R28-T30 PolarHBondContact O-N 2.69Å; T30-C33 PolarHBondContact O-N 3.29Å; T30-L34 HydrophobicContact CG2-CD1 3.81Å; T30-L34 HydrophobicContact CG2-CG 4.24Å; T30-L34 WeakPolarHBondContact O-CB 3.21Å; T30-L34 VanDerWaalsContact O-CG 3.26Å; T30-L34 WeakPolarHBondContact O-CG 3.09Å; T30-L34 PolarHBondContact O-N 3.09Å; T30-W119 HydrophobicContact CG2-CE3 4.05Å; T30-W119 HydrophobicContact CG2-CZ3 4.03Å; T30-A212 HydrophobicContact CG2-CB 4.03Å; T30-A212 PolarHBondContact OG1-O 2.7Å; T30-L213 HydrophobicContact CG2-CB 4.28Å; T30-L213 HydrophobicContact CG2-CD1 4.19Å |
| 31 | V | 96.2 | Very high | 89.6 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.3 | -53.4 | 177 | 174 | 0 | 0 | 0 | 0 | 110.7 | K27 R28 C33 L34 E35 W119 | K27-V31 HydrophobicContact CG-CG2 4.32Å; K27-V31 WeakPolarHBondContact O-CG2 3.3Å; K27-V31 PolarHBondContact O-N 2.95Å; R28-V31 PolarHBondContact O-N 3.09Å; V31-C33 VanDerWaalsContact C-N 3.25Å; V31-C33 PolarHBondContact O-N 2.97Å; V31-L34 PolarHBondContact O-N 2.8Å; V31-L34 VanDerWaalsContact O-N 3.1Å; V31-E35 HydrophobicContact CG1-CG 4.29Å; V31-E35 WeakPolarHBondContact CG1-OE1 3.47Å; V31-E35 WeakPolarHBondContact O-CG 3.25Å; V31-E35 PolarHBondContact O-N 2.92Å; V31-W119 HydrophobicContact CG2-CB 3.89Å; V31-W119 HydrophobicContact CG2-CG 4.44Å; V31-W119 VanDerWaalsContact CG2-O 3.23Å; V31-W119 WeakPolarHBondContact CG2-O 3.5Å |
| 32 | E | 94.8 | Very high | 88.5 | Confident | 98 Ų | 98 | 62 Ų | 62 | 46% | 0.458 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.4 | -42.3 | 177.5 | -71.1 | 169 | -175 | 0 | 0 | 112 | R28 A36 | R28-E32 WeakPolarHBondContact CG-OE1 3.28Å; R28-E32 WeakPolarHBondContact O-CG 3.49Å; R28-E32 PolarHBondContact O-N 2.89Å; E32-A36 VanDerWaalsContact O-CB 3.28Å; E32-A36 WeakPolarHBondContact O-CB 3.43Å; E32-A36 PolarHBondContact O-N 3.02Å; E32-A36 VanDerWaalsContact O-N 3.14Å |
| 33 | C | 94.1 | Very high | 87.1 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 32% | 0.324 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.1 | -40 | 179.4 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | R29 T30 V31 A36 Q37 A212 | R29-C33 VanDerWaalsContact O-CB 3.3Å; R29-C33 WeakPolarHBondContact O-CB 3.42Å; R29-C33 PolarHBondContact O-N 3.06Å; R29-C33 VanDerWaalsContact O-N 3.09Å; T30-C33 PolarHBondContact O-N 3.29Å; V31-C33 VanDerWaalsContact C-N 3.25Å; V31-C33 PolarHBondContact O-N 2.97Å; C33-A36 PolarHBondContact O-N 3.09Å; C33-Q37 WeakPolarHBondContact O-CG 3.29Å; C33-Q37 PolarHBondContact O-N 2.82Å; C33-A212 HydrophobicContact CB-CB 3.88Å |
| 34 | L | 93.8 | Very high | 85.7 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 178.8 | -73.4 | 173.8 | 0 | 0 | 0 | 111.9 | T30 V31 A36 Q37 A120 L122 V138 V209 A212 | T30-L34 HydrophobicContact CG2-CD1 3.81Å; T30-L34 HydrophobicContact CG2-CG 4.24Å; T30-L34 WeakPolarHBondContact O-CB 3.21Å; T30-L34 VanDerWaalsContact O-CG 3.26Å; T30-L34 WeakPolarHBondContact O-CG 3.09Å; T30-L34 PolarHBondContact O-N 3.09Å; V31-L34 PolarHBondContact O-N 2.8Å; V31-L34 VanDerWaalsContact O-N 3.1Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 2.9Å; L34-Q37 WeakPolarHBondContact O-CB 3.32Å; L34-Q37 PolarHBondContact O-N 3.38Å; L34-A120 HydrophobicContact CB-CB 4.12Å; L34-A120 HydrophobicContact CD1-CB 4.06Å; L34-L122 HydrophobicContact CD1-CD1 4.31Å; L34-L122 HydrophobicContact CD2-CD1 4.39Å; L34-L122 HydrophobicContact CD2-CD2 4.21Å; L34-L122 HydrophobicContact CD2-CG 4.39Å; L34-V138 HydrophobicContact CD1-CB 4.31Å; L34-V138 HydrophobicContact CD1-CG1 4.43Å; L34-V138 HydrophobicContact CD1-CG2 4.04Å; L34-V209 HydrophobicContact CD2-CG2 4.41Å; L34-A212 HydrophobicContact CD2-CB 3.63Å; L34-A212 HydrophobicContact CG-CB 3.67Å |
| 35 | E | 90.4 | Very high | 84.5 | Confident | 134 Ų | 134 | 65.5 Ų | 65.5 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.7 | -32.7 | 177.6 | -70 | 177.4 | 166.6 | 0 | 0 | 112.1 | V31 Q37 | V31-E35 HydrophobicContact CG1-CG 4.29Å; V31-E35 WeakPolarHBondContact CG1-OE1 3.47Å; V31-E35 WeakPolarHBondContact O-CG 3.25Å; V31-E35 PolarHBondContact O-N 2.92Å; E35-Q37 VanDerWaalsContact C-N 3.31Å; E35-Q37 PolarHBondContact O-N 3.32Å |
| 36 | A | 90.7 | Very high | 83.2 | Confident | 81 Ų | 81 | 68 Ų | 68 | 67% | 0.669 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | E32 C33 L34 | E32-A36 VanDerWaalsContact O-CB 3.28Å; E32-A36 WeakPolarHBondContact O-CB 3.43Å; E32-A36 PolarHBondContact O-N 3.02Å; E32-A36 VanDerWaalsContact O-N 3.14Å; C33-A36 PolarHBondContact O-N 3.09Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 2.9Å |
| 37 | Q | 86.3 | Confident | 81.7 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -71.3 | 138.3 | -180 | -80.4 | 172.5 | 2.8 | 0 | 0 | 111.5 | C33 L34 E35 R208 | C33-Q37 WeakPolarHBondContact O-CG 3.29Å; C33-Q37 PolarHBondContact O-N 2.82Å; L34-Q37 WeakPolarHBondContact O-CB 3.32Å; L34-Q37 PolarHBondContact O-N 3.38Å; E35-Q37 VanDerWaalsContact C-N 3.31Å; E35-Q37 PolarHBondContact O-N 3.32Å; Q37-R208 PolarHBondContact NE2-O 3.41Å |
| 38 | P | 81 | Confident | 80.2 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -66 | 154.7 | -179.9 | 28.9 | -35.5 | 0 | 0 | 0 | 111.8 | Y40 | P38-Y40 WeakPolarHBondContact O-CD2 3.23Š|
| 39 | S | 78 | Confident | 79.6 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 138.3 | 166.2 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | I41 | S39-I41 VanDerWaalsContact C-N 3.34Å; S39-I41 PolarHBondContact OG-N 3.01Å |
| 40 | Y | 71.7 | Confident | 79.2 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 33% | 0.329 | 39% | 0.394 | S | S | . | . | trans | -97.8 | 16 | 175.5 | -77.4 | -91.2 | 0 | 0 | 0 | 112.5 | P38 P42 M228 | P38-Y40 WeakPolarHBondContact O-CD2 3.23Å; Y40-P42 WeakPolarHBondContact O-CD 3.47Å; Y40-M228 HydrophobicContact CD1-SD 4.46Å | ||
| 41 | I | 73.8 | Confident | 79 | Confident | 49 Ų | 49 | 76.8 Ų | 76.8 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | trans | -82.8 | 113.1 | 174.3 | -59.3 | 175.2 | 0 | 0 | 0 | 107.4 | S39 F45 P124 L133 | S39-I41 VanDerWaalsContact C-N 3.34Å; S39-I41 PolarHBondContact OG-N 3.01Å; I41-F45 HydrophobicContact CG2-CB 3.62Å; I41-F45 HydrophobicContact CG2-CD1 3.68Å; I41-F45 HydrophobicContact CG2-CG 3.97Å; I41-P124 HydrophobicContact CD1-CB 4.27Å; I41-L133 HydrophobicContact CD1-CD1 4.01Å; I41-L133 HydrophobicContact CD1-CD2 3.8Å; I41-L133 HydrophobicContact CG1-CD2 4.25Å | ||
| 42 | P | 66.3 | Low | 79 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 29% | 0.286 | 42% | 0.423 | S | S | . | . | trans | -60.5 | 146.8 | -179.9 | -20.4 | 32.7 | 0 | 0 | 0 | 111.5 | Y40 G44 F45 I126 V230 | Y40-P42 WeakPolarHBondContact O-CD 3.47Å; P42-G44 PolarHBondContact O-N 2.84Å; P42-F45 WeakPolarHBondContact O-CB 3.49Å; P42-F45 PolarHBondContact O-N 3.26Å; P42-F45 VanDerWaalsContact O-N 3.08Å; P42-I126 HydrophobicContact CG-CD1 4.38Å; P42-V230 HydrophobicContact CB-CG1 3.64Å; P42-V230 HydrophobicContact CG-CG1 3.67Å | ||
| 43 | P | 64.4 | Low | 79.1 | Confident | 128 Ų | 128 | 74.4 Ų | 74.4 | 83% | 0.831 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 130.7 | 167.7 | -23.7 | 33.5 | 0 | 0 | 0 | 110.5 | ||
| 44 | G | 61.5 | Low | 79.3 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 3.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P42 H46 | P42-G44 PolarHBondContact O-N 2.84Å; G44-H46 PolarHBondContact O-CE1 3.39Å; G44-H46 VanDerWaalsContact O-CE1 3.22Å; G44-H46 PolarHBondContact O-N 3.38Å; G44-H46 PolarHBondContact O-ND1 2.77Å |
| 45 | F | 67.6 | Low | 79.5 | Confident | 50 Ų | 50 | 73.1 Ų | 73.1 | 22% | 0.219 | 39% | 0.392 | C | S | . | . | trans | -68.9 | 114.8 | 161.6 | -173.4 | -104.3 | 0 | 0 | 0 | 109.1 | I41 P42 G47 I126 L133 | I41-F45 HydrophobicContact CG2-CB 3.62Å; I41-F45 HydrophobicContact CG2-CD1 3.68Å; I41-F45 HydrophobicContact CG2-CG 3.97Å; P42-F45 WeakPolarHBondContact O-CB 3.49Å; P42-F45 PolarHBondContact O-N 3.26Å; P42-F45 VanDerWaalsContact O-N 3.08Å; F45-G47 VanDerWaalsContact CD1-O 3.25Å; F45-G47 WeakPolarHBondContact CD1-O 3.36Å; F45-G47 WeakPolarHBondContact CE1-O 3.36Å; F45-I126 HydrophobicContact CB-CD1 4.41Å; F45-I126 HydrophobicContact CD1-CD1 4.19Å; F45-I126 HydrophobicContact CD1-CG1 4.14Å; F45-I126 HydrophobicContact CD2-CD1 3.53Å; F45-I126 HydrophobicContact CD2-CG1 4.1Å; F45-I126 HydrophobicContact CE1-CD1 4.33Å; F45-I126 HydrophobicContact CE1-CG1 3.88Å; F45-I126 HydrophobicContact CE2-CB 4.47Å; F45-I126 HydrophobicContact CE2-CD1 3.71Å; F45-I126 HydrophobicContact CE2-CG1 3.87Å; F45-I126 HydrophobicContact CE2-CG2 3.78Å; F45-I126 HydrophobicContact CG-CD1 3.78Å; F45-I126 HydrophobicContact CG-CG1 4.23Å; F45-I126 HydrophobicContact CZ-CB 4.32Å; F45-I126 HydrophobicContact CZ-CD1 4.1Å; F45-I126 HydrophobicContact CZ-CG1 3.74Å; F45-I126 HydrophobicContact CZ-CG2 3.81Å; F45-L133 HydrophobicContact CD1-CD2 4.32Å; F45-L133 HydrophobicContact CE1-CD2 3.61Å; F45-L133 HydrophobicContact CE1-CG 4.2Å; F45-L133 HydrophobicContact CZ-CD2 4.39Å | ||
| 46 | H | 63.6 | Low | 79.9 | Confident | 145 Ų | 145 | 66.7 Ų | 66.7 | 67% | 0.671 | 36% | 0.362 | S | S | * | . | trans | -94.3 | -3 | -177.9 | -66.5 | 79.4 | 0 | 0 | 0 | 112.9 | G44 R48 | G44-H46 PolarHBondContact O-CE1 3.39Å; G44-H46 VanDerWaalsContact O-CE1 3.22Å; G44-H46 PolarHBondContact O-N 3.38Å; G44-H46 PolarHBondContact O-ND1 2.77Å; H46-R48 WeakPolarHBondContact O-CG 3.47Å; H46-R48 PolarHBondContact O-N 2.84Å | ||
| 47 | G | 60.8 | Low | 80.3 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 9% | 0.093 | 33% | 0.33 | C | S | . | . | trans | -64.9 | 114.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | F45 D131 | F45-G47 VanDerWaalsContact CD1-O 3.25Å; F45-G47 WeakPolarHBondContact CD1-O 3.36Å; F45-G47 WeakPolarHBondContact CE1-O 3.36Å; G47-D131 WeakPolarHBondContact CA-O 3.45Å | ||
| 48 | R | 64.3 | Low | 80.8 | Confident | 205 Ų | 205 | 61.2 Ų | 61.2 | 77% | 0.774 | 32% | 0.322 | S | S | * | . | trans | -117.8 | -8.3 | -169.1 | -77.2 | 174.6 | -174.2 | -158.7 | 2.6 | 114.2 | H46 | H46-R48 WeakPolarHBondContact O-CG 3.47Å; H46-R48 PolarHBondContact O-N 2.84Å | ||
| 49 | T | 81.9 | Confident | 81.6 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 112.4 | -170.9 | -43.3 | 0 | 0 | 0 | 0 | 109.7 | R51 L133 | T49-R51 HydrophobicContact CG2-CG 3.66Å; T49-R51 PolarHBondContact O-N 2.96Å; T49-L133 PolarHBondContact O-N 2.86Å; T49-L133 VanDerWaalsContact O-N 3.16Å |
| 50 | L | 85.6 | Confident | 82.5 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 103.1 | 163.2 | -56.7 | -179.1 | 0 | 0 | 0 | 106.8 | I90 P97 P124 L133 V135 | L50-I90 HydrophobicContact CB-CD1 4.14Å; L50-P97 HydrophobicContact CD1-CG 4.43Å; L50-P124 HydrophobicContact CD2-CB 3.82Å; L50-P124 HydrophobicContact CD2-CG 3.49Å; L50-P124 VanDerWaalsContact CD2-CG 3.49Å; L50-L133 HydrophobicContact CD2-CB 3.81Å; L50-L133 HydrophobicContact CD2-CD1 3.86Å; L50-V135 HydrophobicContact CB-CG2 4.48Å; L50-V135 HydrophobicContact CD1-CG2 4.35Å; L50-V135 HydrophobicContact CD2-CG2 3.8Å; L50-V135 HydrophobicContact CG-CG2 4.44Å |
| 51 | R | 91.9 | Very high | 83.6 | Confident | 125 Ų | 125 | 52 Ų | 52 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -21.4 | -177.6 | -73.5 | -151.5 | -169.1 | -99.1 | -1.9 | 113.6 | T49 A89 I90 D132 L133 | T49-R51 HydrophobicContact CG2-CG 3.66Å; T49-R51 PolarHBondContact O-N 2.96Å; R51-A89 CarbonylContact O-C 3.54Å; R51-A89 WeakPolarHBondContact O-CA 3.22Å; R51-I90 PolarHBondContact O-N 2.98Å; R51-D132 HydrophobicContact CB-CB 4.17Å; R51-D132 VanDerWaalsContact CD-CG 3.4Å; R51-D132 WeakPolarHBondContact CD-OD1 3.49Å; R51-D132 HydrophobicContact CG-CB 4.33Å; R51-D132 WeakPolarHBondContact CG-OD1 3.33Å; R51-D132 IonicContact NE-OD1 3.7Å; R51-D132 PolarHBondContact NE-OD1 2.81Å; R51-D132 IonicContact NE-OD2 3.59Å; R51-L133 PolarHBondContact N-O 3.31Å |
| 52 | Y | 95.4 | Very high | 84.5 | Confident | 71 Ų | 71 | 58 Ų | 58 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.6 | -172.5 | -63.3 | -82.3 | 0 | 0 | 0 | 110.5 | G88 A89 D132 L133 V134 V135 | Y52-G88 VanDerWaalsContact CA-O 3.23Å; Y52-G88 WeakPolarHBondContact CA-O 3.35Å; Y52-G88 WeakPolarHBondContact CD1-O 3.22Å; Y52-A89 HydrophobicContact CD1-CB 4.26Å; Y52-A89 HydrophobicContact CE1-CB 4.07Å; Y52-D132 HydrophobicContact CD2-CB 4.15Å; Y52-D132 HydrophobicContact CE2-CB 4.03Å; Y52-L133 PolarHBondContact N-O 2.84Å; Y52-V134 CarbonylContact O-C 3.59Å; Y52-V134 WeakPolarHBondContact O-CA 3.4Å; Y52-V135 PolarHBondContact O-N 2.79Å |
| 53 | A | 97.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G87 G88 I90 P97 A100 A101 V135 | A53-G87 CarbonylContact O-C 3.57Å; A53-G87 WeakPolarHBondContact O-CA 3.16Å; A53-G88 PolarHBondContact N-O 2.9Å; A53-G88 PolarHBondContact O-N 3.37Å; A53-I90 HydrophobicContact CB-CD1 4.36Å; A53-I90 HydrophobicContact CB-CG1 4.08Å; A53-P97 HydrophobicContact CB-CB 4.08Å; A53-P97 WeakPolarHBondContact CB-O 3.28Å; A53-A100 HydrophobicContact CB-CB 4.04Å; A53-A101 HydrophobicContact CB-CB 3.93Å; A53-V135 VanDerWaalsContact CA-O 3.31Å; A53-V135 WeakPolarHBondContact CA-O 3.26Å |
| 54 | V | 98 | Very high | 87.1 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.7 | 179.2 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | F85 P86 V134 V135 P136 V137 I205 | V54-F85 HydrophobicContact CB-CB 3.91Å; V54-F85 HydrophobicContact CG2-CB 4.34Å; V54-P86 WeakPolarHBondContact CA-O 3.46Å; V54-V134 HydrophobicContact CB-CG1 4.41Å; V54-V134 HydrophobicContact CG1-CG1 3.78Å; V54-V134 HydrophobicContact CG2-CG1 3.89Å; V54-V135 PolarHBondContact N-O 3.04Å; V54-P136 HydrophobicContact CG2-CB 4.22Å; V54-P136 CarbonylContact O-C 3.58Å; V54-P136 WeakPolarHBondContact O-CA 3.46Å; V54-V137 PolarHBondContact O-N 3.41Å; V54-I205 HydrophobicContact CG2-CD1 4.11Å |
| 55 | L | 98.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.6 | 176.5 | -161.4 | 75.6 | 0 | 0 | 0 | 110 | P57 F85 P86 A101 L102 T105 F116 V137 A139 | L55-P57 HydrophobicContact CD2-CB 4.37Å; L55-P57 HydrophobicContact CD2-CG 4.23Å; L55-P57 HydrophobicContact CG-CG 4.39Å; L55-P57 WeakPolarHBondContact O-CD 3.28Å; L55-F85 VanDerWaalsContact O-CB 3.32Å; L55-F85 WeakPolarHBondContact O-CB 3.08Å; L55-F85 VanDerWaalsContact O-CD1 3.29Å; L55-F85 WeakPolarHBondContact O-CD1 3.48Å; L55-P86 HydrophobicContact CB-CG 4.41Å; L55-P86 PolarHBondContact N-O 3.12Å; L55-P86 WeakPolarHBondContact O-CD 3.42Å; L55-A101 HydrophobicContact CB-CB 4.27Å; L55-A101 HydrophobicContact CD1-CB 4.21Å; L55-L102 HydrophobicContact CD1-CD2 3.87Å; L55-L102 HydrophobicContact CD2-CD2 4.14Å; L55-T105 WeakPolarHBondContact CB-OG1 3.49Å; L55-T105 HydrophobicContact CD2-CG2 3.81Å; L55-F116 HydrophobicContact CD2-CD1 3.66Å; L55-F116 HydrophobicContact CD2-CD2 4.43Å; L55-F116 HydrophobicContact CD2-CE1 3.41Å; L55-F116 VanDerWaalsContact CD2-CE1 3.41Å; L55-F116 HydrophobicContact CD2-CE2 4.22Å; L55-F116 HydrophobicContact CD2-CG 4.17Å; L55-F116 HydrophobicContact CD2-CZ 3.71Å; L55-V137 CarbonylContact C-O 3.6Å; L55-V137 WeakPolarHBondContact CA-O 3.44Å; L55-V137 HydrophobicContact CD1-CB 4.02Å; L55-V137 HydrophobicContact CD1-CG1 3.82Å; L55-A139 HydrophobicContact CD1-CB 3.88Å; L55-A139 HydrophobicContact CG-CB 4.43Å |
| 56 | V | 98.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 94.5 | 166.6 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | L58 I67 F85 V137 V138 A139 I205 V209 | V56-L58 HydrophobicContact CG1-CD2 4.39Å; V56-L58 PolarHBondContact O-N 2.93Å; V56-I67 HydrophobicContact CG1-CG2 4.3Å; V56-F85 HydrophobicContact CB-CD1 4.32Å; V56-F85 HydrophobicContact CB-CE1 3.96Å; V56-F85 HydrophobicContact CB-CZ 4.29Å; V56-F85 HydrophobicContact CG1-CD1 4.47Å; V56-F85 HydrophobicContact CG1-CE1 3.66Å; V56-F85 HydrophobicContact CG1-CZ 3.91Å; V56-F85 HydrophobicContact CG2-CD1 4.13Å; V56-F85 HydrophobicContact CG2-CD2 4.29Å; V56-F85 HydrophobicContact CG2-CE1 3.85Å; V56-F85 HydrophobicContact CG2-CE2 4.03Å; V56-F85 HydrophobicContact CG2-CG 4.34Å; V56-F85 HydrophobicContact CG2-CZ 3.78Å; V56-V137 PolarHBondContact N-O 3.44Å; V56-V138 HydrophobicContact CB-CB 4.49Å; V56-V138 HydrophobicContact CB-CG2 3.98Å; V56-V138 HydrophobicContact CG1-CG2 4.42Å; V56-V138 HydrophobicContact CG2-CG2 4.19Å; V56-A139 PolarHBondContact O-N 3Å; V56-A139 VanDerWaalsContact O-N 3.12Å; V56-I205 HydrophobicContact CG2-CG2 3.47Å; V56-I205 VanDerWaalsContact CG2-CG2 3.47Å; V56-V209 HydrophobicContact CG1-CG1 4.43Å; V56-V209 HydrophobicContact CG1-CG2 4.25Å |
| 57 | P | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111.4 | -172.8 | -2.2 | 24.7 | 0 | 0 | 0 | 109.1 | L55 L68 P86 F116 A139 I141 | L55-P57 HydrophobicContact CD2-CB 4.37Å; L55-P57 HydrophobicContact CD2-CG 4.23Å; L55-P57 HydrophobicContact CG-CG 4.39Å; L55-P57 WeakPolarHBondContact O-CD 3.28Å; P57-L68 HydrophobicContact CB-CB 4.02Å; P57-L68 WeakPolarHBondContact CD-O 3.29Å; P57-L68 HydrophobicContact CG-CB 4.1Å; P57-L68 PolarHBondContact O-N 3.1Å; P57-P86 HydrophobicContact CG-CG 3.77Å; P57-F116 HydrophobicContact CB-CE1 4.18Å; P57-A139 CarbonylContact C-O 3.6Å; P57-A139 WeakPolarHBondContact CA-O 3.35Å; P57-I141 HydrophobicContact CB-CD1 4.24Å; P57-I141 HydrophobicContact CB-CG1 4.41Å |
| 58 | L | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 113.7 | 173.3 | -57.1 | -179.1 | 0 | 0 | 0 | 108.8 | F22 V56 I67 W119 V138 A139 R140 I141 V209 L213 | F22-L58 HydrophobicContact CD1-CB 4.3Å; F22-L58 HydrophobicContact CD1-CD1 4.25Å; F22-L58 HydrophobicContact CE1-CB 3.69Å; F22-L58 HydrophobicContact CE1-CD1 3.9Å; F22-L58 HydrophobicContact CE1-CD2 4.13Å; F22-L58 HydrophobicContact CE1-CG 4.12Å; F22-L58 HydrophobicContact CE2-CB 4.22Å; F22-L58 HydrophobicContact CZ-CB 3.66Å; F22-L58 HydrophobicContact CZ-CD2 4.34Å; F22-L58 HydrophobicContact CZ-CG 4.43Å; V56-L58 HydrophobicContact CG1-CD2 4.39Å; V56-L58 PolarHBondContact O-N 2.93Å; L58-I67 HydrophobicContact CD2-CG1 4.14Å; L58-W119 HydrophobicContact CD1-CD2 4.28Å; L58-W119 HydrophobicContact CD1-CE3 3.82Å; L58-W119 HydrophobicContact CD1-CH2 4.16Å; L58-W119 HydrophobicContact CD1-CZ3 3.76Å; L58-V138 HydrophobicContact CD1-CG1 3.72Å; L58-V138 HydrophobicContact CG-CG1 4.1Å; L58-A139 PolarHBondContact N-O 3.37Å; L58-R140 HydrophobicContact CB-CB 4.31Å; L58-R140 HydrophobicContact CB-CG 4.5Å; L58-R140 CarbonylContact O-C 3.55Å; L58-R140 WeakPolarHBondContact O-CA 3.31Å; L58-I141 PolarHBondContact O-N 2.88Å; L58-V209 HydrophobicContact CD2-CG1 4.41Å; L58-L213 HydrophobicContact CD1-CD1 4.35Å; L58-L213 HydrophobicContact CD2-CD2 4.23Å |
| 59 | A | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 148.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112 | F22 V61 S66 I141 I145 | F22-A59 WeakPolarHBondContact CE2-O 3.44Å; A59-V61 HydrophobicContact CB-CG2 4.21Å; A59-S66 PolarHBondContact N-O 3.22Å; A59-S66 PolarHBondContact O-N 2.89Å; A59-I141 HydrophobicContact CB-CD1 3.8Å; A59-I141 HydrophobicContact CB-CG1 4.44Å; A59-I145 HydrophobicContact CB-CD1 4.05Å; A59-I145 HydrophobicContact CB-CG1 4.21Å |
| 60 | I | 96.2 | Very high | 95.8 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.8 | 162.6 | -59.2 | -61.4 | 0 | 0 | 0 | 107.7 | F22 P65 P144 I145 | F22-I60 HydrophobicContact CD2-CD1 3.56Å; F22-I60 HydrophobicContact CD2-CG1 4.17Å; F22-I60 HydrophobicContact CE2-CD1 3.78Å; F22-I60 HydrophobicContact CE2-CG1 4.47Å; I60-P65 HydrophobicContact CD1-CB 4.25Å; I60-P65 HydrophobicContact CD1-CG 3.87Å; I60-P144 HydrophobicContact CB-CB 4.19Å; I60-P144 HydrophobicContact CB-CG 4.26Å; I60-P144 HydrophobicContact CG2-CB 4.13Å; I60-P144 HydrophobicContact CG2-CG 4.17Å; I60-P144 VanDerWaalsContact O-CA 3.29Å; I60-P144 WeakPolarHBondContact O-CA 3.23Å; I60-I145 PolarHBondContact O-N 3.13Å |
| 61 | V | 95.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 27.5 Ų | 27.5 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 118.2 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | A59 D63 V64 I145 P147 A162 | A59-V61 HydrophobicContact CB-CG2 4.21Å; V61-D63 PolarHBondContact O-N 2.87Å; V61-V64 PolarHBondContact N-O 3.31Å; V61-V64 WeakPolarHBondContact O-CA 3.24Å; V61-V64 WeakPolarHBondContact O-CB 3.3Å; V61-V64 PolarHBondContact O-N 3.49Å; V61-I145 HydrophobicContact CG2-CD1 4.42Å; V61-I145 HydrophobicContact CG2-CG1 3.92Å; V61-P147 HydrophobicContact CG1-CG 4.03Å; V61-P147 HydrophobicContact CG2-CG 4.11Å; V61-A162 HydrophobicContact CB-CB 4.16Å; V61-A162 HydrophobicContact CG1-CB 4.19Å; V61-A162 HydrophobicContact CG2-CB 3.74Å |
| 62 | Q | 93.3 | Very high | 96 | Very high | 175 Ų | 175 | 24.2 Ų | 24.2 | 82% | 0.818 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 46.9 | -174.2 | -60 | 178.1 | -33 | 0 | 0 | 112.1 | V64 | Q62-V64 PolarHBondContact O-N 3.19Å; Q62-V64 VanDerWaalsContact O-N 3.12Å |
| 63 | D | 91.7 | Very high | 95.2 | Very high | 99 Ų | 99 | 21 Ų | 21 | 53% | 0.529 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 15.3 | -176.1 | -52.9 | -47.6 | 0 | 0 | 0 | 115.5 | V61 | V61-D63 PolarHBondContact O-N 2.87Š|
| 64 | V | 93.8 | Very high | 94.2 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 18% | 0.182 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117.4 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | V61 Q62 S66 A164 | V61-V64 PolarHBondContact N-O 3.31Å; V61-V64 WeakPolarHBondContact O-CA 3.24Å; V61-V64 WeakPolarHBondContact O-CB 3.3Å; V61-V64 PolarHBondContact O-N 3.49Å; Q62-V64 PolarHBondContact O-N 3.19Å; Q62-V64 VanDerWaalsContact O-N 3.12Å; V64-S66 PolarHBondContact O-N 3Å; V64-S66 PolarHBondContact O-OG 2.87Å; V64-A164 HydrophobicContact CG1-CB 3.51Å |
| 65 | P | 95.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 119.1 | 164.8 | -25.7 | 33 | 0 | 0 | 0 | 111.3 | L18 V21 F22 I60 A164 V165 | L18-P65 HydrophobicContact CB-CG 4.04Å; L18-P65 HydrophobicContact CD2-CG 4.24Å; L18-P65 WeakPolarHBondContact O-CG 3.31Å; V21-P65 HydrophobicContact CB-CB 4.02Å; V21-P65 HydrophobicContact CB-CG 3.98Å; V21-P65 HydrophobicContact CG1-CB 4.09Å; V21-P65 HydrophobicContact CG2-CB 4.27Å; V21-P65 HydrophobicContact CG2-CG 4.04Å; F22-P65 HydrophobicContact CD2-CB 4.4Å; F22-P65 HydrophobicContact CE2-CB 3.75Å; F22-P65 HydrophobicContact CZ-CB 3.87Å; I60-P65 HydrophobicContact CD1-CB 4.25Å; I60-P65 HydrophobicContact CD1-CG 3.87Å; P65-A164 WeakPolarHBondContact O-CA 3.45Å; P65-V165 HydrophobicContact CB-CG2 4.37Å; P65-V165 PolarHBondContact O-N 3.14Å |
| 66 | S | 97.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 157.7 | -170.8 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | A59 V64 V163 | A59-S66 PolarHBondContact N-O 3.22Å; A59-S66 PolarHBondContact O-N 2.89Å; V64-S66 PolarHBondContact O-N 3Å; V64-S66 PolarHBondContact O-OG 2.87Å; S66-V163 CarbonylContact C-O 3.56Å; S66-V163 WeakPolarHBondContact CA-O 3.15Å |
| 67 | I | 98 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.6 | 165.7 | -60.3 | -178.4 | 0 | 0 | 0 | 106.8 | V56 L58 L69 F85 V163 V165 L168 I206 | V56-I67 HydrophobicContact CG1-CG2 4.3Å; L58-I67 HydrophobicContact CD2-CG1 4.14Å; I67-L69 HydrophobicContact CG2-CD2 4.24Å; I67-L69 HydrophobicContact CG2-CG 4.33Å; I67-F85 HydrophobicContact CG2-CE1 3.57Å; I67-F85 HydrophobicContact CG2-CZ 4.27Å; I67-V163 PolarHBondContact N-O 2.96Å; I67-V163 PolarHBondContact O-N 3.31Å; I67-V165 HydrophobicContact CG1-CG2 4.33Å; I67-L168 HydrophobicContact CD1-CD1 3.87Å; I67-L168 HydrophobicContact CG1-CD1 4.44Å; I67-I206 HydrophobicContact CD1-CG1 4.35Å; I67-I206 HydrophobicContact CD1-CG2 4.36Å |
| 68 | L | 98.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.1 | 175.7 | -169.9 | 69.3 | 0 | 0 | 0 | 109.9 | P57 I111 I141 I145 P147 L160 A162 | P57-L68 HydrophobicContact CB-CB 4.02Å; P57-L68 WeakPolarHBondContact CD-O 3.29Å; P57-L68 HydrophobicContact CG-CB 4.1Å; P57-L68 PolarHBondContact O-N 3.1Å; L68-I111 HydrophobicContact CD2-CD1 4.35Å; L68-I141 HydrophobicContact CD2-CD1 4.4Å; L68-I145 HydrophobicContact CD1-CD1 4.3Å; L68-I145 HydrophobicContact CD2-CD1 3.93Å; L68-P147 HydrophobicContact CD1-CB 4.42Å; L68-P147 HydrophobicContact CD1-CG 4.17Å; L68-L160 HydrophobicContact CD1-CB 4.26Å; L68-A162 HydrophobicContact CD1-CB 4.42Å |
| 69 | L | 98.1 | Very high | 87 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 157.2 | -179.4 | -63.6 | 169 | 0 | 0 | 0 | 109.8 | I67 I83 S84 F85 L160 L161 V163 I198 T202 I206 | I67-L69 HydrophobicContact CG2-CD2 4.24Å; I67-L69 HydrophobicContact CG2-CG 4.33Å; L69-I83 HydrophobicContact CB-CG2 3.79Å; L69-I83 HydrophobicContact CD1-CG2 3.62Å; L69-I83 HydrophobicContact CG-CG2 4.18Å; L69-S84 WeakPolarHBondContact CA-O 3.36Å; L69-F85 HydrophobicContact CD2-CD1 3.48Å; L69-F85 VanDerWaalsContact CD2-CD1 3.48Å; L69-F85 HydrophobicContact CD2-CE1 3.41Å; L69-F85 VanDerWaalsContact CD2-CE1 3.41Å; L69-F85 HydrophobicContact CD2-CG 4.14Å; L69-F85 HydrophobicContact CD2-CZ 4.02Å; L69-L160 WeakPolarHBondContact O-CA 3.43Å; L69-L161 HydrophobicContact CB-CB 4.42Å; L69-L161 PolarHBondContact N-O 2.9Å; L69-L161 PolarHBondContact O-N 3.4Å; L69-V163 HydrophobicContact CD1-CG2 3.74Å; L69-I198 HydrophobicContact CD1-CD1 3.51Å; L69-I198 HydrophobicContact CD1-CG1 4.31Å; L69-T202 HydrophobicContact CD2-CG2 4Å; L69-I206 HydrophobicContact CD1-CD1 4.34Å |
| 70 | T | 96.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 145.9 | 172.1 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | I83 S84 P86 V109 V157 L160 | T70-I83 WeakPolarHBondContact O-CA 3.48Å; T70-S84 PolarHBondContact N-O 2.81Å; T70-S84 PolarHBondContact O-N 2.83Å; T70-S84 PolarHBondContact OG1-O 3.12Å; T70-S84 PolarHBondContact OG1-OG 2.72Å; T70-P86 HydrophobicContact CG2-CB 3.87Å; T70-V109 HydrophobicContact CG2-CG1 4Å; T70-V157 HydrophobicContact CG2-CG1 4.11Å; T70-V157 HydrophobicContact CG2-CG2 3.87Å; T70-L160 HydrophobicContact CG2-CD2 3.92Å |
| 71 | I | 93.4 | Very high | 84.7 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.6 | 161.2 | -69.4 | 158.4 | 0 | 0 | 0 | 105.7 | I83 V157 E158 S159 L161 | I71-I83 HydrophobicContact CG1-CG1 4.03Å; I71-V157 CarbonylContact O-C 3.59Å; I71-E158 HydrophobicContact CB-CB 4.39Å; I71-E158 HydrophobicContact CG2-CB 3.88Å; I71-E158 HydrophobicContact CG2-CG 4.4Å; I71-E158 WeakPolarHBondContact O-CB 3.33Å; I71-E158 PolarHBondContact O-N 3.01Å; I71-S159 WeakPolarHBondContact CD1-OG 3.48Å; I71-S159 PolarHBondContact N-O 3.32Å; I71-L161 HydrophobicContact CD1-CB 4.39Å |
| 72 | R | 86.8 | Confident | 84.4 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 21% | 0.211 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 138.8 | -179 | -65.9 | -173.9 | 65.6 | 74 | -3.6 | 111.2 | S74 L76 G81 Q82 | R72-S74 PolarHBondContact O-N 3.16Å; R72-L76 HydrophobicContact CB-CD1 4.2Å; R72-G81 WeakPolarHBondContact O-CA 3.32Å; R72-G81 PolarHBondContact O-N 3.2Å; R72-Q82 PolarHBondContact N-O 2.89Å; R72-Q82 VanDerWaalsContact N-O 3.09Å |
| 73 | A | 79.7 | Confident | 84.5 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | trans | -57.2 | 136.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H75 L76 E156 | A73-H75 WeakPolarHBondContact CB-CE1 3.38Å; A73-H75 WeakPolarHBondContact CB-ND1 3.21Å; A73-H75 PolarHBondContact O-N 3.29Å; A73-H75 VanDerWaalsContact O-N 3.14Å; A73-L76 HydrophobicContact CB-CD1 4.16Å; A73-L76 HydrophobicContact CB-CG 4.21Å; A73-L76 PolarHBondContact O-N 3.04Å; A73-E156 PolarHBondContact N-O 2.78Å | ||
| 74 | S | 75 | Confident | 84.7 | Confident | 78 Ų | 78 | 41.1 Ų | 41.1 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.8 | -175.6 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | R72 R80 | R72-S74 PolarHBondContact O-N 3.16Å; S74-R80 VanDerWaalsContact O-CD 3.27Å; S74-R80 WeakPolarHBondContact O-CD 3.35Å; S74-R80 WeakPolarHBondContact O-CG 3.44Å; S74-R80 PolarHBondContact O-NH1 3.1Å |
| 75 | H | 74.8 | Confident | 84.8 | Confident | 106 Ų | 106 | 40 Ų | 40 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -12.4 | -178.1 | 65.8 | -91.7 | 0 | 0 | 0 | 114.1 | A73 R80 N155 | A73-H75 WeakPolarHBondContact CB-CE1 3.38Å; A73-H75 WeakPolarHBondContact CB-ND1 3.21Å; A73-H75 PolarHBondContact O-N 3.29Å; A73-H75 VanDerWaalsContact O-N 3.14Å; H75-R80 VanDerWaalsContact CA-NH1 3.3Å; H75-R80 PolarHBondContact O-NH1 2.52Å; H75-N155 PolarHBondContact CE1-O 2.97Å; H75-N155 VanDerWaalsContact CE1-O 3.25Å; H75-N155 PolarHBondContact NE2-O 3.43Å |
| 76 | L | 72.1 | Confident | 84.9 | Confident | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -67.2 | 143.1 | -179.7 | -66.3 | 170.9 | 0 | 0 | 0 | 112.8 | R72 A73 I78 R80 E156 | R72-L76 HydrophobicContact CB-CD1 4.2Å; A73-L76 HydrophobicContact CB-CD1 4.16Å; A73-L76 HydrophobicContact CB-CG 4.21Å; A73-L76 PolarHBondContact O-N 3.04Å; L76-I78 VanDerWaalsContact C-N 3.28Å; L76-I78 PolarHBondContact O-N 2.84Å; L76-R80 WeakPolarHBondContact O-CD 3.27Å; L76-R80 WeakPolarHBondContact O-CG 3.44Å; L76-R80 PolarHBondContact O-NE 3.02Å; L76-R80 PolarHBondContact O-NH1 3.1Å; L76-R80 VanDerWaalsContact O-NH1 3.14Å; L76-R80 PolarHBondContact O-NH2 3.41Å; L76-E156 WeakPolarHBondContact CD1-O 3.2Å |
| 77 | S | 65.1 | Low | 84.9 | Confident | 102 Ų | 102 | 40.3 Ų | 40.3 | 71% | 0.713 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -62.3 | -30.9 | -175.3 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 78 | I | 64.2 | Low | 84.8 | Confident | 93 Ų | 93 | 41 Ų | 41 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -128.2 | 142.5 | -172.7 | -50.5 | 175.3 | 0 | 0 | 0 | 109.8 | L76 R80 | L76-I78 VanDerWaalsContact C-N 3.28Å; L76-I78 PolarHBondContact O-N 2.84Å; I78-R80 VanDerWaalsContact C-N 3.31Å; I78-R80 PolarHBondContact O-N 3.44Å |
| 79 | H | 65.5 | Low | 84.6 | Confident | 76 Ų | 76 | 42.8 Ų | 42.8 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 60.9 | 31.1 | 175.3 | -53.9 | -45.6 | 0 | 0 | 0 | 115.1 | G81 Q82 | H79-G81 PolarHBondContact O-N 2.91Å; H79-Q82 HydrophobicContact CB-CB 4.29Å; H79-Q82 HydrophobicContact CB-CG 4.18Å; H79-Q82 PolarHBondContact ND1-OE1 3.05Å; H79-Q82 VanDerWaalsContact O-CB 3.31Å; H79-Q82 WeakPolarHBondContact O-CB 3.44Å; H79-Q82 WeakPolarHBondContact O-CG 3.47Å; H79-Q82 PolarHBondContact O-N 3.37Å; H79-Q82 VanDerWaalsContact O-N 3.07Å |
| 80 | R | 68.6 | Low | 84.6 | Confident | 139 Ų | 139 | 44.9 Ų | 44.9 | 53% | 0.525 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 125.3 | 179.5 | -66.4 | 177.2 | -168.3 | -91.2 | -1 | 112.2 | S74 H75 L76 I78 Q82 | S74-R80 VanDerWaalsContact O-CD 3.27Å; S74-R80 WeakPolarHBondContact O-CD 3.35Å; S74-R80 WeakPolarHBondContact O-CG 3.44Å; S74-R80 PolarHBondContact O-NH1 3.1Å; H75-R80 VanDerWaalsContact CA-NH1 3.3Å; H75-R80 PolarHBondContact O-NH1 2.52Å; L76-R80 WeakPolarHBondContact O-CD 3.27Å; L76-R80 WeakPolarHBondContact O-CG 3.44Å; L76-R80 PolarHBondContact O-NE 3.02Å; L76-R80 PolarHBondContact O-NH1 3.1Å; L76-R80 VanDerWaalsContact O-NH1 3.14Å; L76-R80 PolarHBondContact O-NH2 3.41Å; I78-R80 VanDerWaalsContact C-N 3.31Å; I78-R80 PolarHBondContact O-N 3.44Å; R80-Q82 PolarHBondContact O-N 3.39Å; R80-Q82 VanDerWaalsContact O-N 3.07Å |
| 81 | G | 77.1 | Confident | 84.6 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R72 H79 | R72-G81 WeakPolarHBondContact O-CA 3.32Å; R72-G81 PolarHBondContact O-N 3.2Å; H79-G81 PolarHBondContact O-N 2.91Å |
| 82 | Q | 87.5 | Confident | 84.7 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | trans | -71 | 148.5 | 177 | -65.4 | -174 | 9.3 | 0 | 0 | 110.7 | R72 H79 R80 | R72-Q82 PolarHBondContact N-O 2.89Å; R72-Q82 VanDerWaalsContact N-O 3.09Å; H79-Q82 HydrophobicContact CB-CB 4.29Å; H79-Q82 HydrophobicContact CB-CG 4.18Å; H79-Q82 PolarHBondContact ND1-OE1 3.05Å; H79-Q82 VanDerWaalsContact O-CB 3.31Å; H79-Q82 WeakPolarHBondContact O-CB 3.44Å; H79-Q82 WeakPolarHBondContact O-CG 3.47Å; H79-Q82 PolarHBondContact O-N 3.37Å; H79-Q82 VanDerWaalsContact O-N 3.07Å; R80-Q82 PolarHBondContact O-N 3.39Å; R80-Q82 VanDerWaalsContact O-N 3.07Å | ||
| 83 | I | 95.2 | Very high | 85.1 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.3 | 172.8 | -61.6 | 169.1 | 0 | 0 | 0 | 108.4 | L69 T70 I71 L161 L192 R196 I198 T202 | L69-I83 HydrophobicContact CB-CG2 3.79Å; L69-I83 HydrophobicContact CD1-CG2 3.62Å; L69-I83 HydrophobicContact CG-CG2 4.18Å; T70-I83 WeakPolarHBondContact O-CA 3.48Å; I71-I83 HydrophobicContact CG1-CG1 4.03Å; I83-L161 HydrophobicContact CD1-CD2 3.97Å; I83-L161 HydrophobicContact CG2-CD2 4.39Å; I83-L192 HydrophobicContact CD1-CD1 3.52Å; I83-R196 HydrophobicContact CD1-CB 3.87Å; I83-I198 HydrophobicContact CB-CG1 4.39Å; I83-I198 HydrophobicContact CD1-CG1 4.08Å; I83-I198 HydrophobicContact CG2-CG1 4.02Å; I83-T202 PolarHBondContact O-OG1 3.09Å |
| 84 | S | 95.9 | Very high | 85.9 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 166.7 | 179.8 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | L69 T70 | L69-S84 WeakPolarHBondContact CA-O 3.36Å; T70-S84 PolarHBondContact N-O 2.81Å; T70-S84 PolarHBondContact O-N 2.83Å; T70-S84 PolarHBondContact OG1-O 3.12Å; T70-S84 PolarHBondContact OG1-OG 2.72Å |
| 85 | F | 97.8 | Very high | 86.9 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | trans | -68.8 | 150.9 | 158.8 | -73 | -61.5 | 0 | 0 | 0 | 110 | V54 L55 V56 I67 L69 T202 I205 I206 | V54-F85 HydrophobicContact CB-CB 3.91Å; V54-F85 HydrophobicContact CG2-CB 4.34Å; L55-F85 VanDerWaalsContact O-CB 3.32Å; L55-F85 WeakPolarHBondContact O-CB 3.08Å; L55-F85 VanDerWaalsContact O-CD1 3.29Å; L55-F85 WeakPolarHBondContact O-CD1 3.48Å; V56-F85 HydrophobicContact CB-CD1 4.32Å; V56-F85 HydrophobicContact CB-CE1 3.96Å; V56-F85 HydrophobicContact CB-CZ 4.29Å; V56-F85 HydrophobicContact CG1-CD1 4.47Å; V56-F85 HydrophobicContact CG1-CE1 3.66Å; V56-F85 HydrophobicContact CG1-CZ 3.91Å; V56-F85 HydrophobicContact CG2-CD1 4.13Å; V56-F85 HydrophobicContact CG2-CD2 4.29Å; V56-F85 HydrophobicContact CG2-CE1 3.85Å; V56-F85 HydrophobicContact CG2-CE2 4.03Å; V56-F85 HydrophobicContact CG2-CG 4.34Å; V56-F85 HydrophobicContact CG2-CZ 3.78Å; I67-F85 HydrophobicContact CG2-CE1 3.57Å; I67-F85 HydrophobicContact CG2-CZ 4.27Å; L69-F85 HydrophobicContact CD2-CD1 3.48Å; L69-F85 VanDerWaalsContact CD2-CD1 3.48Å; L69-F85 HydrophobicContact CD2-CE1 3.41Å; L69-F85 VanDerWaalsContact CD2-CE1 3.41Å; L69-F85 HydrophobicContact CD2-CG 4.14Å; L69-F85 HydrophobicContact CD2-CZ 4.02Å; F85-T202 HydrophobicContact CD2-CG2 3.9Å; F85-T202 HydrophobicContact CE2-CG2 3.76Å; F85-T202 HydrophobicContact CZ-CG2 4.33Å; F85-I205 HydrophobicContact CD2-CD1 4.29Å; F85-I205 HydrophobicContact CD2-CG2 4.27Å; F85-I205 HydrophobicContact CE2-CB 3.77Å; F85-I205 HydrophobicContact CE2-CD1 4.38Å; F85-I205 HydrophobicContact CE2-CG2 3.55Å; F85-I205 HydrophobicContact CZ-CG2 4.06Å; F85-I206 HydrophobicContact CE2-CG1 4.17Å; F85-I206 HydrophobicContact CZ-CD1 4.29Å; F85-I206 HydrophobicContact CZ-CG1 3.57Å | ||
| 86 | P | 97.3 | Very high | 88 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -63.7 | 150.2 | 164.4 | 29.9 | -34.4 | 0 | 0 | 0 | 110.6 | V54 L55 P57 T70 T105 E108 V109 | V54-P86 WeakPolarHBondContact CA-O 3.46Å; L55-P86 HydrophobicContact CB-CG 4.41Å; L55-P86 PolarHBondContact N-O 3.12Å; L55-P86 WeakPolarHBondContact O-CD 3.42Å; P57-P86 HydrophobicContact CG-CG 3.77Å; T70-P86 HydrophobicContact CG2-CB 3.87Å; P86-T105 HydrophobicContact CB-CG2 3.96Å; P86-T105 HydrophobicContact CG-CG2 3.79Å; P86-E108 WeakPolarHBondContact CA-OE2 3.42Å; P86-E108 VanDerWaalsContact CB-OE2 3.23Å; P86-E108 WeakPolarHBondContact CB-OE2 3.39Å; P86-V109 HydrophobicContact CB-CG1 3.97Å |
| 87 | G | 96.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.4 | 171.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A53 E108 | A53-G87 CarbonylContact O-C 3.57Å; A53-G87 WeakPolarHBondContact O-CA 3.16Å; G87-E108 PolarHBondContact N-OE2 3.44Å |
| 88 | G | 94.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | -150.9 | -170 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y52 A53 E104 | Y52-G88 VanDerWaalsContact CA-O 3.23Å; Y52-G88 WeakPolarHBondContact CA-O 3.35Å; Y52-G88 WeakPolarHBondContact CD1-O 3.22Å; A53-G88 PolarHBondContact N-O 2.9Å; A53-G88 PolarHBondContact O-N 3.37Å; G88-E104 WeakPolarHBondContact CA-OE2 3.46Å |
| 89 | A | 95.7 | Very high | 92.4 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 145.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R51 Y52 E91 R103 E104 | R51-A89 CarbonylContact O-C 3.54Å; R51-A89 WeakPolarHBondContact O-CA 3.22Å; Y52-A89 HydrophobicContact CD1-CB 4.26Å; Y52-A89 HydrophobicContact CE1-CB 4.07Å; A89-E91 PolarHBondContact O-N 3.48Å; A89-R103 PolarHBondContact O-NH2 3.41Å; A89-E104 PolarHBondContact N-OE1 3.38Å |
| 90 | I | 96.8 | Very high | 93.9 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -78 | 117.3 | 167.6 | -58.5 | 171.6 | 0 | 0 | 0 | 106.8 | L50 R51 A53 D94 P97 A100 | L50-I90 HydrophobicContact CB-CD1 4.14Å; R51-I90 PolarHBondContact O-N 2.98Å; A53-I90 HydrophobicContact CB-CD1 4.36Å; A53-I90 HydrophobicContact CB-CG1 4.08Å; I90-D94 HydrophobicContact CG2-CB 4.3Å; I90-P97 HydrophobicContact CD1-CB 4.04Å; I90-P97 HydrophobicContact CD1-CG 4.02Å; I90-A100 HydrophobicContact CB-CB 4.22Å; I90-A100 HydrophobicContact CG1-CB 3.8Å; I90-A100 HydrophobicContact CG2-CB 4.27Å |
| 91 | E | 96.6 | Very high | 95.3 | Very high | 70 Ų | 70 | 43 Ų | 43 | 33% | 0.327 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 156.9 | 179 | -72.4 | -174 | -157 | 0 | 0 | 111.3 | A89 K93 D94 R103 | A89-E91 PolarHBondContact O-N 3.48Å; E91-K93 HydrophobicContact CB-CG 4.07Å; E91-K93 PolarHBondContact O-N 3.27Å; E91-K93 IonicContact OE1-NZ 3.67Å; E91-K93 VanDerWaalsContact OE2-CD 3.3Å; E91-K93 WeakPolarHBondContact OE2-CD 3.43Å; E91-K93 WeakPolarHBondContact OE2-CE 3.31Å; E91-K93 IonicContact OE2-NZ 2.97Å; E91-K93 PolarHBondContact OE2-NZ 3.49Å; E91-D94 PolarHBondContact N-OD2 3.37Å; E91-D94 WeakPolarHBondContact O-CB 3.35Å; E91-D94 PolarHBondContact O-N 2.85Å; E91-R103 IonicContact OE1-CZ 2.81Å; E91-R103 IonicContact OE1-NH1 3.61Å; E91-R103 PolarHBondContact OE1-NH1 3.24Å; E91-R103 IonicContact OE1-NH2 2.88Å |
| 92 | P | 95.6 | Very high | 96.4 | Very high | 143 Ų | 143 | 42.7 Ų | 42.7 | 93% | 0.929 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -18.8 | 176.3 | -25.8 | 35.2 | 0 | 0 | 0 | 115.1 | ||
| 93 | K | 96.1 | Very high | 96.9 | Very high | 121 Ų | 121 | 40.8 Ų | 40.8 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20 | 178.2 | 75.4 | -169.1 | -173.2 | -148.8 | 0 | 113.1 | E91 | E91-K93 HydrophobicContact CB-CG 4.07Å; E91-K93 PolarHBondContact O-N 3.27Å; E91-K93 IonicContact OE1-NZ 3.67Å; E91-K93 VanDerWaalsContact OE2-CD 3.3Å; E91-K93 WeakPolarHBondContact OE2-CD 3.43Å; E91-K93 WeakPolarHBondContact OE2-CE 3.31Å; E91-K93 IonicContact OE2-NZ 2.97Å; E91-K93 PolarHBondContact OE2-NZ 3.49Å |
| 94 | D | 96.7 | Very high | 97 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | trans | -77.5 | 129.1 | -179.5 | -57 | -43.4 | 0 | 0 | 0 | 109 | I90 E91 D96 E99 A100 R103 | I90-D94 HydrophobicContact CG2-CB 4.3Å; E91-D94 PolarHBondContact N-OD2 3.37Å; E91-D94 WeakPolarHBondContact O-CB 3.35Å; E91-D94 PolarHBondContact O-N 2.85Å; D94-D96 VanDerWaalsContact C-N 3.32Å; D94-E99 HydrophobicContact CB-CB 4.49Å; D94-A100 HydrophobicContact CB-CB 4Å; D94-A100 VanDerWaalsContact OD2-CB 3.31Å; D94-A100 WeakPolarHBondContact OD2-CB 3.41Å; D94-R103 IonicContact OD1-CZ 2.78Å; D94-R103 IonicContact OD1-NE 3.85Å; D94-R103 PolarHBondContact OD1-NE 3.39Å; D94-R103 IonicContact OD1-NH2 2.68Å; D94-R103 IonicContact OD2-CZ 3.52Å; D94-R103 IonicContact OD2-NE 2.75Å; D94-R103 IonicContact OD2-NH2 3.67Å; D94-R103 PolarHBondContact OD2-NH2 3.33Å | ||
| 95 | S | 95.9 | Very high | 97.1 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 70% | 0.699 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -71.2 | -29.4 | 180 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | E99 | S95-E99 WeakPolarHBondContact CB-OE2 3.47Å; S95-E99 PolarHBondContact N-OE2 3.26Å; S95-E99 PolarHBondContact OG-OE2 2.92Å |
| 96 | D | 96.6 | Very high | 97.1 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 35% | 0.348 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -157.3 | 174.5 | 179.3 | 68.6 | 25 | 0 | 0 | 0 | 111.8 | D94 I98 E99 A100 | D94-D96 VanDerWaalsContact C-N 3.32Å; D96-I98 PolarHBondContact O-N 2.9Å; D96-I98 VanDerWaalsContact OD1-CA 3.31Å; D96-I98 WeakPolarHBondContact OD1-CA 3.25Å; D96-I98 VanDerWaalsContact OD1-CB 3.25Å; D96-I98 WeakPolarHBondContact OD1-CB 3.46Å; D96-I98 PolarHBondContact OD1-N 3.04Å; D96-E99 PolarHBondContact O-N 3.35Å; D96-E99 PolarHBondContact OD1-N 3Å; D96-A100 PolarHBondContact O-N 3.49Å |
| 97 | P | 96.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -21.9 | 176 | -23.4 | 34.5 | 0 | 0 | 0 | 114.8 | L50 A53 I90 A101 V135 | L50-P97 HydrophobicContact CD1-CG 4.43Å; A53-P97 HydrophobicContact CB-CB 4.08Å; A53-P97 WeakPolarHBondContact CB-O 3.28Å; I90-P97 HydrophobicContact CD1-CB 4.04Å; I90-P97 HydrophobicContact CD1-CG 4.02Å; P97-A101 WeakPolarHBondContact O-CB 3.12Å; P97-A101 PolarHBondContact O-N 3.3Å; P97-V135 HydrophobicContact CB-CB 3.79Å; P97-V135 HydrophobicContact CB-CG1 3.77Å; P97-V135 HydrophobicContact CB-CG2 4Å; P97-V135 HydrophobicContact CG-CB 4.39Å; P97-V135 HydrophobicContact CG-CG1 4.33Å; P97-V135 HydrophobicContact CG-CG2 4.06Å |
| 98 | I | 98.2 | Very high | 97.1 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.1 | -48.6 | 177.6 | -63.2 | 170.4 | 0 | 0 | 0 | 109.2 | D96 A100 A101 L102 V118 Q121 V137 | D96-I98 PolarHBondContact O-N 2.9Å; D96-I98 VanDerWaalsContact OD1-CA 3.31Å; D96-I98 WeakPolarHBondContact OD1-CA 3.25Å; D96-I98 VanDerWaalsContact OD1-CB 3.25Å; D96-I98 WeakPolarHBondContact OD1-CB 3.46Å; D96-I98 PolarHBondContact OD1-N 3.04Å; I98-A100 VanDerWaalsContact C-N 3.33Å; I98-A100 PolarHBondContact O-N 3.31Å; I98-A101 PolarHBondContact O-N 3.23Å; I98-L102 HydrophobicContact CG2-CD1 3.96Å; I98-L102 HydrophobicContact CG2-CG 4.41Å; I98-L102 VanDerWaalsContact O-CG 3.31Å; I98-L102 WeakPolarHBondContact O-CG 3.17Å; I98-L102 PolarHBondContact O-N 3.39Å; I98-V118 HydrophobicContact CD1-CG1 4.34Å; I98-V118 HydrophobicContact CG2-CG1 4.18Å; I98-V118 HydrophobicContact CG2-CG2 3.87Å; I98-Q121 HydrophobicContact CD1-CB 4.33Å; I98-Q121 HydrophobicContact CG1-CB 4.36Å; I98-V137 HydrophobicContact CB-CG1 4.48Å; I98-V137 HydrophobicContact CG1-CG1 4.11Å; I98-V137 HydrophobicContact CG1-CG2 4.06Å; I98-V137 HydrophobicContact CG2-CG1 4.22Å |
| 99 | E | 98.2 | Very high | 97.1 | Very high | 83 Ų | 83 | 44.6 Ų | 44.6 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 176.4 | -172.8 | 174 | -177.6 | 0 | 0 | 111.2 | D94 S95 D96 A101 L102 R103 | D94-E99 HydrophobicContact CB-CB 4.49Å; S95-E99 WeakPolarHBondContact CB-OE2 3.47Å; S95-E99 PolarHBondContact N-OE2 3.26Å; S95-E99 PolarHBondContact OG-OE2 2.92Å; D96-E99 PolarHBondContact O-N 3.35Å; D96-E99 PolarHBondContact OD1-N 3Å; E99-A101 PolarHBondContact O-N 3.38Å; E99-L102 PolarHBondContact O-N 2.82Å; E99-R103 WeakPolarHBondContact O-CB 3.39Å; E99-R103 PolarHBondContact O-N 3.45Å |
| 100 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -48.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A53 I90 D94 D96 I98 L102 R103 E104 | A53-A100 HydrophobicContact CB-CB 4.04Å; I90-A100 HydrophobicContact CB-CB 4.22Å; I90-A100 HydrophobicContact CG1-CB 3.8Å; I90-A100 HydrophobicContact CG2-CB 4.27Å; D94-A100 HydrophobicContact CB-CB 4Å; D94-A100 VanDerWaalsContact OD2-CB 3.31Å; D94-A100 WeakPolarHBondContact OD2-CB 3.41Å; D96-A100 PolarHBondContact O-N 3.49Å; I98-A100 VanDerWaalsContact C-N 3.33Å; I98-A100 PolarHBondContact O-N 3.31Å; A100-L102 VanDerWaalsContact C-N 3.34Å; A100-L102 PolarHBondContact O-N 3.24Å; A100-R103 PolarHBondContact O-N 3.17Å; A100-E104 VanDerWaalsContact O-CB 3.32Å; A100-E104 WeakPolarHBondContact O-CB 3.47Å; A100-E104 WeakPolarHBondContact O-CG 3.32Å; A100-E104 PolarHBondContact O-N 3.17Å |
| 101 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A53 L55 P97 I98 E99 T105 V137 | A53-A101 HydrophobicContact CB-CB 3.93Å; L55-A101 HydrophobicContact CB-CB 4.27Å; L55-A101 HydrophobicContact CD1-CB 4.21Å; P97-A101 WeakPolarHBondContact O-CB 3.12Å; P97-A101 PolarHBondContact O-N 3.3Å; I98-A101 PolarHBondContact O-N 3.23Å; E99-A101 PolarHBondContact O-N 3.38Å; A101-T105 VanDerWaalsContact O-CB 3.23Å; A101-T105 WeakPolarHBondContact O-CB 3.23Å; A101-T105 PolarHBondContact O-N 3.11Å; A101-T105 PolarHBondContact O-OG1 2.96Å; A101-V137 HydrophobicContact CB-CB 4.08Å; A101-V137 HydrophobicContact CB-CG2 3.96Å |
| 102 | L | 98.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 12% | 0.12 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.1 | -44 | 178.8 | -68.9 | 175.1 | 0 | 0 | 0 | 111.9 | L55 I98 E99 A100 T105 S106 P113 F116 V118 | L55-L102 HydrophobicContact CD1-CD2 3.87Å; L55-L102 HydrophobicContact CD2-CD2 4.14Å; I98-L102 HydrophobicContact CG2-CD1 3.96Å; I98-L102 HydrophobicContact CG2-CG 4.41Å; I98-L102 VanDerWaalsContact O-CG 3.31Å; I98-L102 WeakPolarHBondContact O-CG 3.17Å; I98-L102 PolarHBondContact O-N 3.39Å; E99-L102 PolarHBondContact O-N 2.82Å; A100-L102 VanDerWaalsContact C-N 3.34Å; A100-L102 PolarHBondContact O-N 3.24Å; L102-T105 PolarHBondContact O-N 3.2Å; L102-S106 WeakPolarHBondContact O-CB 3.16Å; L102-S106 PolarHBondContact O-N 2.75Å; L102-P113 HydrophobicContact CB-CB 4.2Å; L102-F116 HydrophobicContact CD2-CB 3.59Å; L102-F116 HydrophobicContact CD2-CD2 3.63Å; L102-F116 HydrophobicContact CD2-CE2 4.44Å; L102-F116 HydrophobicContact CD2-CG 3.68Å; L102-V118 HydrophobicContact CD1-CG2 4.18Å |
| 103 | R | 98.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -56.7 | 176.6 | 175.3 | -177.1 | 57.4 | 66.8 | 2.8 | 111.1 | A89 E91 D94 E99 A100 T105 S106 E107 | A89-R103 PolarHBondContact O-NH2 3.41Å; E91-R103 IonicContact OE1-CZ 2.81Å; E91-R103 IonicContact OE1-NH1 3.61Å; E91-R103 PolarHBondContact OE1-NH1 3.24Å; E91-R103 IonicContact OE1-NH2 2.88Å; D94-R103 IonicContact OD1-CZ 2.78Å; D94-R103 IonicContact OD1-NE 3.85Å; D94-R103 PolarHBondContact OD1-NE 3.39Å; D94-R103 IonicContact OD1-NH2 2.68Å; D94-R103 IonicContact OD2-CZ 3.52Å; D94-R103 IonicContact OD2-NE 2.75Å; D94-R103 IonicContact OD2-NH2 3.67Å; D94-R103 PolarHBondContact OD2-NH2 3.33Å; E99-R103 WeakPolarHBondContact O-CB 3.39Å; E99-R103 PolarHBondContact O-N 3.45Å; A100-R103 PolarHBondContact O-N 3.17Å; R103-T105 VanDerWaalsContact C-N 3.26Å; R103-T105 PolarHBondContact O-N 3.23Å; R103-S106 WeakPolarHBondContact O-CA 3.45Å; R103-S106 WeakPolarHBondContact O-CB 3.2Å; R103-S106 PolarHBondContact O-N 3.39Å; R103-E107 WeakPolarHBondContact CG-OE1 3.44Å; R103-E107 IonicContact NH1-OE1 3.36Å; R103-E107 IonicContact NH1-OE2 3.84Å; R103-E107 PolarHBondContact NH1-OE2 3.24Å; R103-E107 WeakPolarHBondContact O-CG 3.33Å; R103-E107 PolarHBondContact O-N 2.95Å |
| 104 | E | 98 | Very high | 97.4 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | -179.5 | -69.7 | -78.1 | 169 | 0 | 0 | 110.9 | G88 A89 A100 S106 E107 E108 | G88-E104 WeakPolarHBondContact CA-OE2 3.46Å; A89-E104 PolarHBondContact N-OE1 3.38Å; A100-E104 VanDerWaalsContact O-CB 3.32Å; A100-E104 WeakPolarHBondContact O-CB 3.47Å; A100-E104 WeakPolarHBondContact O-CG 3.32Å; A100-E104 PolarHBondContact O-N 3.17Å; E104-S106 PolarHBondContact O-N 2.91Å; E104-E107 PolarHBondContact O-N 3.29Å; E104-E108 WeakPolarHBondContact O-CB 3.48Å; E104-E108 WeakPolarHBondContact O-CG 3.3Å; E104-E108 PolarHBondContact O-N 3.4Å |
| 105 | T | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | L55 P86 A101 L102 R103 E107 E108 V109 F116 | L55-T105 WeakPolarHBondContact CB-OG1 3.49Å; L55-T105 HydrophobicContact CD2-CG2 3.81Å; P86-T105 HydrophobicContact CB-CG2 3.96Å; P86-T105 HydrophobicContact CG-CG2 3.79Å; A101-T105 VanDerWaalsContact O-CB 3.23Å; A101-T105 WeakPolarHBondContact O-CB 3.23Å; A101-T105 PolarHBondContact O-N 3.11Å; A101-T105 PolarHBondContact O-OG1 2.96Å; L102-T105 PolarHBondContact O-N 3.2Å; R103-T105 VanDerWaalsContact C-N 3.26Å; R103-T105 PolarHBondContact O-N 3.23Å; T105-E107 VanDerWaalsContact C-N 3.3Å; T105-E107 PolarHBondContact O-N 2.54Å; T105-E108 PolarHBondContact O-N 2.78Å; T105-V109 HydrophobicContact CG2-CG1 4.43Å; T105-V109 HydrophobicContact CG2-CG2 3.7Å; T105-V109 VanDerWaalsContact O-CG2 3.28Å; T105-V109 WeakPolarHBondContact O-CG2 3.29Å; T105-V109 PolarHBondContact O-N 3.26Å; T105-F116 HydrophobicContact CG2-CE2 4.27Å; T105-F116 HydrophobicContact CG2-CZ 3.74Å |
| 106 | S | 97.7 | Very high | 97.5 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.9 | -42 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | L102 R103 E104 G110 I111 | L102-S106 WeakPolarHBondContact O-CB 3.16Å; L102-S106 PolarHBondContact O-N 2.75Å; R103-S106 WeakPolarHBondContact O-CA 3.45Å; R103-S106 WeakPolarHBondContact O-CB 3.2Å; R103-S106 PolarHBondContact O-N 3.39Å; E104-S106 PolarHBondContact O-N 2.91Å; S106-G110 WeakPolarHBondContact O-CA 3.48Å; S106-G110 PolarHBondContact O-N 2.85Å; S106-I111 VanDerWaalsContact CA-O 3.29Å; S106-I111 WeakPolarHBondContact CA-O 3.44Å; S106-I111 VanDerWaalsContact CB-O 3.22Å; S106-I111 WeakPolarHBondContact CB-O 3.5Å; S106-I111 PolarHBondContact OG-O 2.8Å |
| 107 | E | 96.9 | Very high | 97.6 | Very high | 86 Ų | 86 | 33.9 Ų | 33.9 | 40% | 0.402 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 177.8 | -70.5 | 165.8 | 173 | 0 | 0 | 111.9 | R103 E104 T105 N153 | R103-E107 WeakPolarHBondContact CG-OE1 3.44Å; R103-E107 IonicContact NH1-OE1 3.36Å; R103-E107 IonicContact NH1-OE2 3.84Å; R103-E107 PolarHBondContact NH1-OE2 3.24Å; R103-E107 WeakPolarHBondContact O-CG 3.33Å; R103-E107 PolarHBondContact O-N 2.95Å; E104-E107 PolarHBondContact O-N 3.29Å; T105-E107 VanDerWaalsContact C-N 3.3Å; T105-E107 PolarHBondContact O-N 2.54Å; E107-N153 WeakPolarHBondContact O-CB 3.3Å |
| 108 | E | 96.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.4 | -42.3 | -178.1 | -76.1 | -171.2 | 146.9 | 0 | 0 | 113.4 | P86 G87 E104 T105 N153 V157 | P86-E108 WeakPolarHBondContact CA-OE2 3.42Å; P86-E108 VanDerWaalsContact CB-OE2 3.23Å; P86-E108 WeakPolarHBondContact CB-OE2 3.39Å; G87-E108 PolarHBondContact N-OE2 3.44Å; E104-E108 WeakPolarHBondContact O-CB 3.48Å; E104-E108 WeakPolarHBondContact O-CG 3.3Å; E104-E108 PolarHBondContact O-N 3.4Å; T105-E108 PolarHBondContact O-N 2.78Å; E108-N153 PolarHBondContact O-N 3.16Å; E108-V157 HydrophobicContact CB-CG2 3.96Å; E108-V157 HydrophobicContact CG-CG2 4.21Å |
| 109 | V | 96.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -115.2 | -7.8 | -168 | -38.3 | 0 | 0 | 0 | 0 | 114.3 | T70 P86 T105 I111 L150 L160 | T70-V109 HydrophobicContact CG2-CG1 4Å; P86-V109 HydrophobicContact CB-CG1 3.97Å; T105-V109 HydrophobicContact CG2-CG1 4.43Å; T105-V109 HydrophobicContact CG2-CG2 3.7Å; T105-V109 VanDerWaalsContact O-CG2 3.28Å; T105-V109 WeakPolarHBondContact O-CG2 3.29Å; T105-V109 PolarHBondContact O-N 3.26Å; V109-I111 HydrophobicContact CG2-CB 4.07Å; V109-I111 HydrophobicContact CG2-CD1 3.79Å; V109-I111 HydrophobicContact CG2-CG1 3.82Å; V109-L150 WeakPolarHBondContact O-CB 3.39Å; V109-L160 HydrophobicContact CB-CD1 4.36Å; V109-L160 HydrophobicContact CB-CD2 4.15Å; V109-L160 HydrophobicContact CG1-CD2 3.76Å |
| 110 | G | 96.5 | Very high | 97.6 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 37% | 0.371 | 17% | 0.17 | S | C | . | . | trans | 73.7 | 26.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S106 | S106-G110 WeakPolarHBondContact O-CA 3.48Å; S106-G110 PolarHBondContact O-N 2.85Å | ||
| 111 | I | 97.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 5% | 0.046 | 19% | 0.189 | C | C | . | . | trans | -106.8 | 123.3 | 174.7 | -62.9 | 172 | 0 | 0 | 0 | 109.6 | L68 S106 V109 M115 F116 I141 I145 L150 | L68-I111 HydrophobicContact CD2-CD1 4.35Å; S106-I111 VanDerWaalsContact CA-O 3.29Å; S106-I111 WeakPolarHBondContact CA-O 3.44Å; S106-I111 VanDerWaalsContact CB-O 3.22Å; S106-I111 WeakPolarHBondContact CB-O 3.5Å; S106-I111 PolarHBondContact OG-O 2.8Å; V109-I111 HydrophobicContact CG2-CB 4.07Å; V109-I111 HydrophobicContact CG2-CD1 3.79Å; V109-I111 HydrophobicContact CG2-CG1 3.82Å; I111-M115 HydrophobicContact CG2-CB 3.74Å; I111-M115 HydrophobicContact CG2-CG 4.38Å; I111-F116 HydrophobicContact CB-CE2 3.98Å; I111-F116 HydrophobicContact CB-CZ 3.9Å; I111-F116 HydrophobicContact CD1-CZ 4.34Å; I111-F116 HydrophobicContact CG2-CD2 4.31Å; I111-F116 HydrophobicContact CG2-CE1 4.41Å; I111-F116 HydrophobicContact CG2-CE2 3.48Å; I111-F116 VanDerWaalsContact CG2-CE2 3.48Å; I111-F116 HydrophobicContact CG2-CZ 3.55Å; I111-I141 HydrophobicContact CD1-CD1 3.88Å; I111-I145 HydrophobicContact CD1-CD1 4.39Å; I111-L150 HydrophobicContact CD1-CD1 3.77Å; I111-L150 HydrophobicContact CD1-CD2 4.19Å; I111-L150 HydrophobicContact CG1-CD1 4.08Å; I111-L150 HydrophobicContact CG1-CD2 3.76Å | ||
| 112 | S | 97.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 34.5 Ų | 34.5 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | trans | -55.5 | 137.1 | 177.7 | -147 | 0 | 0 | 0 | 0 | 112.5 | E114 M115 | S112-E114 VanDerWaalsContact CB-OE2 3.3Å; S112-E114 WeakPolarHBondContact CB-OE2 3.28Å; S112-E114 PolarHBondContact O-N 3.26Å; S112-E114 VanDerWaalsContact O-N 3.1Å; S112-E114 PolarHBondContact OG-OE2 3.04Å; S112-M115 VanDerWaalsContact O-CB 3.32Å; S112-M115 WeakPolarHBondContact O-CB 3.49Å; S112-M115 PolarHBondContact O-N 3.46Å | ||
| 113 | P | 97.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 28% | 0.279 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -50.2 | -35.4 | 177.5 | -31.7 | 38.6 | 0 | 0 | 0 | 114.8 | L102 M115 F116 | L102-P113 HydrophobicContact CB-CB 4.2Å; P113-M115 PolarHBondContact O-N 2.85Å; P113-F116 WeakPolarHBondContact O-CB 3.31Å; P113-F116 PolarHBondContact O-N 2.98Å; P113-F116 VanDerWaalsContact O-N 3.09Å |
| 114 | E | 97.5 | Very high | 96.5 | Very high | 135 Ų | 135 | 34.9 Ų | 34.9 | 63% | 0.631 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -69.3 | -20.2 | -177.5 | -55.7 | 73 | -160.6 | 0 | 0 | 113 | S112 F116 R142 | S112-E114 VanDerWaalsContact CB-OE2 3.3Å; S112-E114 WeakPolarHBondContact CB-OE2 3.28Å; S112-E114 PolarHBondContact O-N 3.26Å; S112-E114 VanDerWaalsContact O-N 3.1Å; S112-E114 PolarHBondContact OG-OE2 3.04Å; E114-F116 PolarHBondContact O-N 2.91Å; E114-R142 PolarHBondContact O-NE 3.44Å; E114-R142 VanDerWaalsContact O-NE 3.11Å |
| 115 | M | 97.3 | Very high | 96.1 | Very high | 53 Ų | 53 | 34.3 Ų | 34.3 | 26% | 0.261 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -72.8 | -8.6 | 174.4 | -73.7 | -73.5 | -66.7 | 0 | 0 | 112.6 | I111 S112 P113 I141 R142 K143 | I111-M115 HydrophobicContact CG2-CB 3.74Å; I111-M115 HydrophobicContact CG2-CG 4.38Å; S112-M115 VanDerWaalsContact O-CB 3.32Å; S112-M115 WeakPolarHBondContact O-CB 3.49Å; S112-M115 PolarHBondContact O-N 3.46Å; P113-M115 PolarHBondContact O-N 2.85Å; M115-I141 HydrophobicContact CE-CG2 4.31Å; M115-I141 WeakPolarHBondContact O-CA 3.46Å; M115-R142 WeakPolarHBondContact O-CB 3.39Å; M115-R142 VanDerWaalsContact O-CG 3.3Å; M115-R142 WeakPolarHBondContact O-CG 3.43Å; M115-R142 PolarHBondContact O-N 3.26Å; M115-K143 HydrophobicContact CE-CB 3.86Å; M115-K143 HydrophobicContact CE-CD 4.08Å; M115-K143 HydrophobicContact CE-CG 4.01Å; M115-K143 HydrophobicContact SD-CD 4.42Å |
| 116 | F | 98.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.7 | 178.1 | -63.6 | -78.3 | 0 | 0 | 0 | 111.8 | L55 P57 L102 T105 I111 P113 E114 A139 I141 R142 | L55-F116 HydrophobicContact CD2-CD1 3.66Å; L55-F116 HydrophobicContact CD2-CD2 4.43Å; L55-F116 HydrophobicContact CD2-CE1 3.41Å; L55-F116 VanDerWaalsContact CD2-CE1 3.41Å; L55-F116 HydrophobicContact CD2-CE2 4.22Å; L55-F116 HydrophobicContact CD2-CG 4.17Å; L55-F116 HydrophobicContact CD2-CZ 3.71Å; P57-F116 HydrophobicContact CB-CE1 4.18Å; L102-F116 HydrophobicContact CD2-CB 3.59Å; L102-F116 HydrophobicContact CD2-CD2 3.63Å; L102-F116 HydrophobicContact CD2-CE2 4.44Å; L102-F116 HydrophobicContact CD2-CG 3.68Å; T105-F116 HydrophobicContact CG2-CE2 4.27Å; T105-F116 HydrophobicContact CG2-CZ 3.74Å; I111-F116 HydrophobicContact CB-CE2 3.98Å; I111-F116 HydrophobicContact CB-CZ 3.9Å; I111-F116 HydrophobicContact CD1-CZ 4.34Å; I111-F116 HydrophobicContact CG2-CD2 4.31Å; I111-F116 HydrophobicContact CG2-CE1 4.41Å; I111-F116 HydrophobicContact CG2-CE2 3.48Å; I111-F116 VanDerWaalsContact CG2-CE2 3.48Å; I111-F116 HydrophobicContact CG2-CZ 3.55Å; P113-F116 WeakPolarHBondContact O-CB 3.31Å; P113-F116 PolarHBondContact O-N 2.98Å; P113-F116 VanDerWaalsContact O-N 3.09Å; E114-F116 PolarHBondContact O-N 2.91Å; F116-A139 HydrophobicContact CB-CB 4.08Å; F116-A139 HydrophobicContact CD1-CB 4.18Å; F116-I141 HydrophobicContact CD1-CG1 3.93Å; F116-I141 HydrophobicContact CE1-CD1 4.13Å; F116-I141 HydrophobicContact CE1-CG1 3.56Å; F116-I141 HydrophobicContact CZ-CG1 4.49Å; F116-R142 PolarHBondContact O-NE 3.28Å; F116-R142 PolarHBondContact O-NH2 2.86Å |
| 117 | D | 97.8 | Very high | 94.6 | Very high | 31 Ų | 31 | 38 Ų | 38 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 96.7 | 166.8 | -170.4 | 46.5 | 0 | 0 | 0 | 108.1 | K27 W119 A139 R140 R142 | K27-D117 VanDerWaalsContact NZ-CG 3.34Å; K27-D117 IonicContact NZ-OD1 3.33Å; K27-D117 PolarHBondContact NZ-OD1 3.28Å; K27-D117 IonicContact NZ-OD2 2.7Å; K27-D117 PolarHBondContact NZ-OD2 3.37Å; D117-W119 PolarHBondContact O-N 3.31Å; D117-W119 PolarHBondContact OD2-NE1 2.9Å; D117-W119 VanDerWaalsContact OD2-NE1 3.13Å; D117-A139 CarbonylContact O-C 3.52Å; D117-A139 VanDerWaalsContact O-CA 3.25Å; D117-A139 WeakPolarHBondContact O-CA 3.47Å; D117-R140 HydrophobicContact CB-CB 4.27Å; D117-R140 WeakPolarHBondContact CB-O 3.48Å; D117-R140 PolarHBondContact N-O 3Å; D117-R140 PolarHBondContact O-N 3.43Å; D117-R142 VanDerWaalsContact CA-NH2 3.35Å; D117-R142 HydrophobicContact CB-CG 4.26Å; D117-R142 VanDerWaalsContact CG-NH1 3.31Å; D117-R142 IonicContact OD1-CZ 3.63Å; D117-R142 IonicContact OD1-NH1 2.99Å; D117-R142 PolarHBondContact OD1-NH1 3.49Å; D117-R142 IonicContact OD1-NH2 3.38Å; D117-R142 PolarHBondContact OD1-NH2 2.86Å |
| 118 | V | 98.2 | Very high | 93.4 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 32% | 0.315 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 129.4 | -180 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | I98 L102 V137 A139 | I98-V118 HydrophobicContact CD1-CG1 4.34Å; I98-V118 HydrophobicContact CG2-CG1 4.18Å; I98-V118 HydrophobicContact CG2-CG2 3.87Å; L102-V118 HydrophobicContact CD1-CG2 4.18Å; V118-V137 HydrophobicContact CG1-CG1 3.97Å; V118-A139 HydrophobicContact CG2-CB 4.29Å |
| 119 | W | 98 | Very high | 92.2 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 5% | 0.045 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -50.8 | -179.2 | -75.8 | 18 | 0 | 0 | 0 | 111 | F22 K27 T30 V31 L58 D117 V138 R140 L213 | F22-W119 HydrophobicContact CB-CH2 4.35Å; F22-W119 HydrophobicContact CB-CZ2 4.4Å; F22-W119 AromaticContact CD1-CH2 3.97Å; F22-W119 HydrophobicContact CD1-CH2 3.97Å; K27-W119 HydrophobicContact CB-CD2 4.43Å; K27-W119 HydrophobicContact CB-CH2 3.87Å; K27-W119 HydrophobicContact CB-CZ2 3.72Å; K27-W119 HydrophobicContact CB-CZ3 4.3Å; K27-W119 HydrophobicContact CD-CD2 4.37Å; K27-W119 HydrophobicContact CD-CG 4.46Å; K27-W119 HydrophobicContact CD-CZ2 4.19Å; K27-W119 VanDerWaalsContact CE-CD1 3.48Å; K27-W119 HydrophobicContact CG-CD2 3.84Å; K27-W119 HydrophobicContact CG-CE3 4.3Å; K27-W119 HydrophobicContact CG-CG 4.2Å; K27-W119 HydrophobicContact CG-CH2 4.32Å; K27-W119 HydrophobicContact CG-CZ2 3.87Å; T30-W119 HydrophobicContact CG2-CE3 4.05Å; T30-W119 HydrophobicContact CG2-CZ3 4.03Å; V31-W119 HydrophobicContact CG2-CB 3.89Å; V31-W119 HydrophobicContact CG2-CG 4.44Å; V31-W119 VanDerWaalsContact CG2-O 3.23Å; V31-W119 WeakPolarHBondContact CG2-O 3.5Å; L58-W119 HydrophobicContact CD1-CD2 4.28Å; L58-W119 HydrophobicContact CD1-CE3 3.82Å; L58-W119 HydrophobicContact CD1-CH2 4.16Å; L58-W119 HydrophobicContact CD1-CZ3 3.76Å; D117-W119 PolarHBondContact O-N 3.31Å; D117-W119 PolarHBondContact OD2-NE1 2.9Å; D117-W119 VanDerWaalsContact OD2-NE1 3.13Å; W119-V138 HydrophobicContact CB-CG1 4.3Å; W119-V138 WeakPolarHBondContact CB-O 3.5Å; W119-V138 PolarHBondContact N-O 3.48Å; W119-R140 HydrophobicContact CZ2-CB 4.02Å; W119-R140 HydrophobicContact CZ2-CG 4.45Å; W119-L213 HydrophobicContact CH2-CD1 4.31Å; W119-L213 HydrophobicContact CZ3-CD1 3.79Å |
| 120 | A | 97.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 148.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L34 L122 V138 | L34-A120 HydrophobicContact CB-CB 4.12Å; L34-A120 HydrophobicContact CD1-CB 4.06Å; A120-L122 HydrophobicContact CB-CD1 4.34Å; A120-V138 PolarHBondContact N-O 3.41Å; A120-V138 PolarHBondContact O-N 3.23Å |
| 121 | Q | 96.3 | Very high | 90.4 | Very high | 86 Ų | 86 | 51.1 Ų | 51.1 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.2 | 161.6 | -176.7 | -177.7 | -81.8 | 0 | 0 | 108.3 | I98 V135 V137 | I98-Q121 HydrophobicContact CD1-CB 4.33Å; I98-Q121 HydrophobicContact CG1-CB 4.36Å; Q121-V135 HydrophobicContact CG-CG1 3.42Å; Q121-V135 VanDerWaalsContact CG-CG1 3.42Å; Q121-V137 HydrophobicContact CG-CG2 4.37Å |
| 122 | L | 93.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 159.2 | -179.4 | -77.6 | 63.6 | 0 | 0 | 0 | 110.3 | L34 A120 P136 V138 V209 | L34-L122 HydrophobicContact CD1-CD1 4.31Å; L34-L122 HydrophobicContact CD2-CD1 4.39Å; L34-L122 HydrophobicContact CD2-CD2 4.21Å; L34-L122 HydrophobicContact CD2-CG 4.39Å; A120-L122 HydrophobicContact CB-CD1 4.34Å; L122-P136 HydrophobicContact CB-CB 4.12Å; L122-P136 HydrophobicContact CB-CG 4.08Å; L122-P136 HydrophobicContact CD2-CB 4.26Å; L122-P136 HydrophobicContact CD2-CG 4.5Å; L122-P136 PolarHBondContact N-O 3.47Å; L122-V138 HydrophobicContact CD1-CB 4.42Å; L122-V138 HydrophobicContact CD1-CG2 3.53Å; L122-V209 HydrophobicContact CD2-CG2 4.47Å |
| 123 | S | 90.3 | Very high | 89.6 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 19% | 0.189 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 140.6 | 168.5 | 70.4 | 0 | 0 | 0 | 0 | 110.6 | R208 | S123-R208 PolarHBondContact OG-NH1 3.38Å; S123-R208 PolarHBondContact OG-NH2 3.43Å |
| 124 | P | 90.8 | Very high | 89.4 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -61 | 153.4 | 179.5 | -14.9 | 25 | 0 | 0 | 0 | 112.4 | I41 L50 L133 V134 V135 | I41-P124 HydrophobicContact CD1-CB 4.27Å; L50-P124 HydrophobicContact CD2-CB 3.82Å; L50-P124 HydrophobicContact CD2-CG 3.49Å; L50-P124 VanDerWaalsContact CD2-CG 3.49Å; P124-L133 HydrophobicContact CB-CB 3.93Å; P124-L133 HydrophobicContact CB-CD1 4.19Å; P124-L133 HydrophobicContact CB-CD2 4.39Å; P124-L133 HydrophobicContact CB-CG 4.41Å; P124-V134 CarbonylContact C-O 3.51Å; P124-V134 VanDerWaalsContact CA-O 3.32Å; P124-V134 WeakPolarHBondContact CA-O 3.32Å; P124-V135 HydrophobicContact CB-CG2 4.22Å; P124-V135 HydrophobicContact CG-CG2 4.17Å |
| 125 | H | 88.2 | Confident | 89.3 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.5 | 173.9 | -76.5 | -89.1 | 0 | 0 | 0 | 110.8 | R127 L133 V134 L201 R208 | H125-R127 PolarHBondContact O-N 3.06Å; H125-L133 WeakPolarHBondContact O-CA 3.17Å; H125-V134 PolarHBondContact N-O 2.92Å; H125-V134 PolarHBondContact O-N 3.47Å; H125-L201 HydrophobicContact CB-CD1 3.43Å; H125-L201 VanDerWaalsContact CB-CD1 3.43Å; H125-L201 HydrophobicContact CB-CD2 4.5Å; H125-R208 PolarHBondContact CE1-NH1 3.07Å; H125-R208 PolarHBondContact NE2-NH1 2.87Å |
| 126 | I | 83.6 | Confident | 89.3 | Confident | 52 Ų | 52 | 39.2 Ų | 39.2 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128.3 | 173 | -59.4 | 171.5 | 0 | 0 | 0 | 109 | P42 F45 L133 | P42-I126 HydrophobicContact CG-CD1 4.38Å; F45-I126 HydrophobicContact CB-CD1 4.41Å; F45-I126 HydrophobicContact CD1-CD1 4.19Å; F45-I126 HydrophobicContact CD1-CG1 4.14Å; F45-I126 HydrophobicContact CD2-CD1 3.53Å; F45-I126 HydrophobicContact CD2-CG1 4.1Å; F45-I126 HydrophobicContact CE1-CD1 4.33Å; F45-I126 HydrophobicContact CE1-CG1 3.88Å; F45-I126 HydrophobicContact CE2-CB 4.47Å; F45-I126 HydrophobicContact CE2-CD1 3.71Å; F45-I126 HydrophobicContact CE2-CG1 3.87Å; F45-I126 HydrophobicContact CE2-CG2 3.78Å; F45-I126 HydrophobicContact CG-CD1 3.78Å; F45-I126 HydrophobicContact CG-CG1 4.23Å; F45-I126 HydrophobicContact CZ-CB 4.32Å; F45-I126 HydrophobicContact CZ-CD1 4.1Å; F45-I126 HydrophobicContact CZ-CG1 3.74Å; F45-I126 HydrophobicContact CZ-CG2 3.81Å; I126-L133 HydrophobicContact CG1-CD2 4.2Å |
| 127 | R | 80.6 | Confident | 89.3 | Confident | 61 Ų | 61 | 38.9 Ų | 38.9 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 126 | 168.8 | -176.8 | -179.1 | 177.1 | -77.3 | 3.3 | 108.9 | H125 N129 S130 D132 V134 | H125-R127 PolarHBondContact O-N 3.06Å; R127-N129 PolarHBondContact O-N 2.97Å; R127-S130 WeakPolarHBondContact CB-OG 3.05Å; R127-S130 WeakPolarHBondContact CD-OG 3.35Å; R127-S130 VanDerWaalsContact CG-OG 3.23Å; R127-S130 WeakPolarHBondContact CG-OG 3.3Å; R127-S130 PolarHBondContact NH1-OG 2.82Å; R127-S130 VanDerWaalsContact NH1-OG 3.16Å; R127-S130 PolarHBondContact O-N 2.69Å; R127-S130 VanDerWaalsContact O-N 3.08Å; R127-S130 VanDerWaalsContact O-O 3.1Å; R127-S130 PolarHBondContact O-OG 2.84Å; R127-D132 VanDerWaalsContact CB-O 3.31Å; R127-D132 WeakPolarHBondContact CB-O 3.31Å; R127-D132 PolarHBondContact N-O 2.8Å; R127-V134 HydrophobicContact CB-CG2 3.84Å; R127-V134 HydrophobicContact CG-CG2 4.31Å |
| 128 | V | 72.5 | Confident | 89.3 | Confident | 96 Ų | 96 | 37.4 Ų | 37.4 | 58% | 0.582 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50 | 129.8 | -177.1 | 178.3 | 0 | 0 | 0 | 0 | 111 | S130 | V128-S130 VanDerWaalsContact C-N 3.3Å; V128-S130 PolarHBondContact O-N 2.9Å |
| 129 | N | 71.3 | Confident | 89.3 | Confident | 167 Ų | 167 | 35 Ų | 35 | 89% | 0.893 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 32.2 | 179.9 | -54.1 | -27 | 0 | 0 | 0 | 114.7 | R127 | R127-N129 PolarHBondContact O-N 2.97Š|
| 130 | S | 75.1 | Confident | 89.3 | Confident | 25 Ų | 25 | 38 Ų | 38 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -150 | 158 | 173.6 | 49 | 0 | 0 | 0 | 0 | 111.8 | R127 V128 D132 | R127-S130 WeakPolarHBondContact CB-OG 3.05Å; R127-S130 WeakPolarHBondContact CD-OG 3.35Å; R127-S130 VanDerWaalsContact CG-OG 3.23Å; R127-S130 WeakPolarHBondContact CG-OG 3.3Å; R127-S130 PolarHBondContact NH1-OG 2.82Å; R127-S130 VanDerWaalsContact NH1-OG 3.16Å; R127-S130 PolarHBondContact O-N 2.69Å; R127-S130 VanDerWaalsContact O-N 3.08Å; R127-S130 VanDerWaalsContact O-O 3.1Å; R127-S130 PolarHBondContact O-OG 2.84Å; V128-S130 VanDerWaalsContact C-N 3.3Å; V128-S130 PolarHBondContact O-N 2.9Å; S130-D132 PolarHBondContact O-N 2.74Å |
| 131 | D | 78.6 | Confident | 89.3 | Confident | 114 Ų | 114 | 37.9 Ų | 37.9 | 61% | 0.61 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -81.7 | 4.4 | 173.4 | -66.1 | -33.4 | 0 | 0 | 0 | 113.1 | G47 | G47-D131 WeakPolarHBondContact CA-O 3.45Š|
| 132 | D | 86.7 | Confident | 89.3 | Confident | 31 Ų | 31 | 39.8 Ų | 39.8 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 145 | -177.8 | -64.1 | -33.2 | 0 | 0 | 0 | 111.6 | R51 Y52 R127 S130 | R51-D132 HydrophobicContact CB-CB 4.17Å; R51-D132 VanDerWaalsContact CD-CG 3.4Å; R51-D132 WeakPolarHBondContact CD-OD1 3.49Å; R51-D132 HydrophobicContact CG-CB 4.33Å; R51-D132 WeakPolarHBondContact CG-OD1 3.33Å; R51-D132 IonicContact NE-OD1 3.7Å; R51-D132 PolarHBondContact NE-OD1 2.81Å; R51-D132 IonicContact NE-OD2 3.59Å; Y52-D132 HydrophobicContact CD2-CB 4.15Å; Y52-D132 HydrophobicContact CE2-CB 4.03Å; R127-D132 VanDerWaalsContact CB-O 3.31Å; R127-D132 WeakPolarHBondContact CB-O 3.31Å; R127-D132 PolarHBondContact N-O 2.8Å; S130-D132 PolarHBondContact O-N 2.74Å |
| 133 | L | 90.9 | Very high | 89.3 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.8 | 176.9 | -65.7 | 175.9 | 0 | 0 | 0 | 110.9 | I41 F45 T49 L50 R51 Y52 P124 H125 I126 | I41-L133 HydrophobicContact CD1-CD1 4.01Å; I41-L133 HydrophobicContact CD1-CD2 3.8Å; I41-L133 HydrophobicContact CG1-CD2 4.25Å; F45-L133 HydrophobicContact CD1-CD2 4.32Å; F45-L133 HydrophobicContact CE1-CD2 3.61Å; F45-L133 HydrophobicContact CE1-CG 4.2Å; F45-L133 HydrophobicContact CZ-CD2 4.39Å; T49-L133 PolarHBondContact O-N 2.86Å; T49-L133 VanDerWaalsContact O-N 3.16Å; L50-L133 HydrophobicContact CD2-CB 3.81Å; L50-L133 HydrophobicContact CD2-CD1 3.86Å; R51-L133 PolarHBondContact N-O 3.31Å; Y52-L133 PolarHBondContact N-O 2.84Å; P124-L133 HydrophobicContact CB-CB 3.93Å; P124-L133 HydrophobicContact CB-CD1 4.19Å; P124-L133 HydrophobicContact CB-CD2 4.39Å; P124-L133 HydrophobicContact CB-CG 4.41Å; H125-L133 WeakPolarHBondContact O-CA 3.17Å; I126-L133 HydrophobicContact CG1-CD2 4.2Å |
| 134 | V | 93.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.8 | 172.6 | -170.1 | 0 | 0 | 0 | 0 | 109 | Y52 V54 P124 H125 R127 P136 L201 | Y52-V134 CarbonylContact O-C 3.59Å; Y52-V134 WeakPolarHBondContact O-CA 3.4Å; V54-V134 HydrophobicContact CB-CG1 4.41Å; V54-V134 HydrophobicContact CG1-CG1 3.78Å; V54-V134 HydrophobicContact CG2-CG1 3.89Å; P124-V134 CarbonylContact C-O 3.51Å; P124-V134 VanDerWaalsContact CA-O 3.32Å; P124-V134 WeakPolarHBondContact CA-O 3.32Å; H125-V134 PolarHBondContact N-O 2.92Å; H125-V134 PolarHBondContact O-N 3.47Å; R127-V134 HydrophobicContact CB-CG2 3.84Å; R127-V134 HydrophobicContact CG-CG2 4.31Å; V134-P136 WeakPolarHBondContact O-CD 3.42Å; V134-L201 HydrophobicContact CB-CD2 3.94Å; V134-L201 HydrophobicContact CG1-CD2 4.25Å; V134-L201 HydrophobicContact CG2-CD2 3.78Å |
| 135 | V | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 114 | 176.5 | -175 | 0 | 0 | 0 | 0 | 110 | L50 Y52 A53 V54 P97 Q121 P124 | L50-V135 HydrophobicContact CB-CG2 4.48Å; L50-V135 HydrophobicContact CD1-CG2 4.35Å; L50-V135 HydrophobicContact CD2-CG2 3.8Å; L50-V135 HydrophobicContact CG-CG2 4.44Å; Y52-V135 PolarHBondContact O-N 2.79Å; A53-V135 VanDerWaalsContact CA-O 3.31Å; A53-V135 WeakPolarHBondContact CA-O 3.26Å; V54-V135 PolarHBondContact N-O 3.04Å; P97-V135 HydrophobicContact CB-CB 3.79Å; P97-V135 HydrophobicContact CB-CG1 3.77Å; P97-V135 HydrophobicContact CB-CG2 4Å; P97-V135 HydrophobicContact CG-CB 4.39Å; P97-V135 HydrophobicContact CG-CG1 4.33Å; P97-V135 HydrophobicContact CG-CG2 4.06Å; Q121-V135 HydrophobicContact CG-CG1 3.42Å; Q121-V135 VanDerWaalsContact CG-CG1 3.42Å; P124-V135 HydrophobicContact CB-CG2 4.22Å; P124-V135 HydrophobicContact CG-CG2 4.17Å |
| 136 | P | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 134.4 | 172.8 | -7.7 | 25.1 | 0 | 0 | 0 | 111.1 | V54 L122 V134 I205 | V54-P136 HydrophobicContact CG2-CB 4.22Å; V54-P136 CarbonylContact O-C 3.58Å; V54-P136 WeakPolarHBondContact O-CA 3.46Å; L122-P136 HydrophobicContact CB-CB 4.12Å; L122-P136 HydrophobicContact CB-CG 4.08Å; L122-P136 HydrophobicContact CD2-CB 4.26Å; L122-P136 HydrophobicContact CD2-CG 4.5Å; L122-P136 PolarHBondContact N-O 3.47Å; V134-P136 WeakPolarHBondContact O-CD 3.42Å; P136-I205 HydrophobicContact CB-CD1 3.98Å; P136-I205 HydrophobicContact CB-CG1 4.21Å; P136-I205 HydrophobicContact CB-CG2 4.05Å; P136-I205 HydrophobicContact CG-CD1 3.69Å; P136-I205 HydrophobicContact CG-CG1 3.83Å |
| 137 | V | 98.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | V54 L55 V56 I98 A101 V118 Q121 | V54-V137 PolarHBondContact O-N 3.41Å; L55-V137 CarbonylContact C-O 3.6Å; L55-V137 WeakPolarHBondContact CA-O 3.44Å; L55-V137 HydrophobicContact CD1-CB 4.02Å; L55-V137 HydrophobicContact CD1-CG1 3.82Å; V56-V137 PolarHBondContact N-O 3.44Å; I98-V137 HydrophobicContact CB-CG1 4.48Å; I98-V137 HydrophobicContact CG1-CG1 4.11Å; I98-V137 HydrophobicContact CG1-CG2 4.06Å; I98-V137 HydrophobicContact CG2-CG1 4.22Å; A101-V137 HydrophobicContact CB-CB 4.08Å; A101-V137 HydrophobicContact CB-CG2 3.96Å; V118-V137 HydrophobicContact CG1-CG1 3.97Å; Q121-V137 HydrophobicContact CG-CG2 4.37Å |
| 138 | V | 98.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.3 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | L34 V56 L58 W119 A120 L122 V209 | L34-V138 HydrophobicContact CD1-CB 4.31Å; L34-V138 HydrophobicContact CD1-CG1 4.43Å; L34-V138 HydrophobicContact CD1-CG2 4.04Å; V56-V138 HydrophobicContact CB-CB 4.49Å; V56-V138 HydrophobicContact CB-CG2 3.98Å; V56-V138 HydrophobicContact CG1-CG2 4.42Å; V56-V138 HydrophobicContact CG2-CG2 4.19Å; L58-V138 HydrophobicContact CD1-CG1 3.72Å; L58-V138 HydrophobicContact CG-CG1 4.1Å; W119-V138 HydrophobicContact CB-CG1 4.3Å; W119-V138 WeakPolarHBondContact CB-O 3.5Å; W119-V138 PolarHBondContact N-O 3.48Å; A120-V138 PolarHBondContact N-O 3.41Å; A120-V138 PolarHBondContact O-N 3.23Å; L122-V138 HydrophobicContact CD1-CB 4.42Å; L122-V138 HydrophobicContact CD1-CG2 3.53Å; V138-V209 HydrophobicContact CG2-CG2 3.72Å |
| 139 | A | 98.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 143 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L55 V56 P57 L58 F116 D117 V118 | L55-A139 HydrophobicContact CD1-CB 3.88Å; L55-A139 HydrophobicContact CG-CB 4.43Å; V56-A139 PolarHBondContact O-N 3Å; V56-A139 VanDerWaalsContact O-N 3.12Å; P57-A139 CarbonylContact C-O 3.6Å; P57-A139 WeakPolarHBondContact CA-O 3.35Å; L58-A139 PolarHBondContact N-O 3.37Å; F116-A139 HydrophobicContact CB-CB 4.08Å; F116-A139 HydrophobicContact CD1-CB 4.18Å; D117-A139 CarbonylContact O-C 3.52Å; D117-A139 VanDerWaalsContact O-CA 3.25Å; D117-A139 WeakPolarHBondContact O-CA 3.47Å; V118-A139 HydrophobicContact CG2-CB 4.29Å |
| 140 | R | 97.7 | Very high | 93.5 | Very high | 76 Ų | 76 | 46.6 Ų | 46.6 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133 | 173.3 | -176.4 | -161.2 | 172.1 | -176 | -4.3 | 110.5 | F22 L58 D117 W119 R142 | F22-R140 HydrophobicContact CB-CG 4.48Å; F22-R140 PolarHBondContact O-NH1 3.23Å; L58-R140 HydrophobicContact CB-CB 4.31Å; L58-R140 HydrophobicContact CB-CG 4.5Å; L58-R140 CarbonylContact O-C 3.55Å; L58-R140 WeakPolarHBondContact O-CA 3.31Å; D117-R140 HydrophobicContact CB-CB 4.27Å; D117-R140 WeakPolarHBondContact CB-O 3.48Å; D117-R140 PolarHBondContact N-O 3Å; D117-R140 PolarHBondContact O-N 3.43Å; W119-R140 HydrophobicContact CZ2-CB 4.02Å; W119-R140 HydrophobicContact CZ2-CG 4.45Å; R140-R142 PolarHBondContact O-N 3.39Å |
| 141 | I | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122.4 | 167.6 | -52 | 177 | 0 | 0 | 0 | 108.2 | P57 L58 A59 L68 I111 M115 F116 K143 I145 | P57-I141 HydrophobicContact CB-CD1 4.24Å; P57-I141 HydrophobicContact CB-CG1 4.41Å; L58-I141 PolarHBondContact O-N 2.88Å; A59-I141 HydrophobicContact CB-CD1 3.8Å; A59-I141 HydrophobicContact CB-CG1 4.44Å; L68-I141 HydrophobicContact CD2-CD1 4.4Å; I111-I141 HydrophobicContact CD1-CD1 3.88Å; M115-I141 HydrophobicContact CE-CG2 4.31Å; M115-I141 WeakPolarHBondContact O-CA 3.46Å; F116-I141 HydrophobicContact CD1-CG1 3.93Å; F116-I141 HydrophobicContact CE1-CD1 4.13Å; F116-I141 HydrophobicContact CE1-CG1 3.56Å; F116-I141 HydrophobicContact CZ-CG1 4.49Å; I141-K143 VanDerWaalsContact C-N 3.27Å; I141-K143 WeakPolarHBondContact CG2-O 3.33Å; I141-K143 PolarHBondContact O-N 3.43Å; I141-I145 HydrophobicContact CD1-CD1 3.68Å; I141-I145 HydrophobicContact CD1-CG1 4.44Å; I141-I145 HydrophobicContact CD1-CG2 4.44Å; I141-I145 HydrophobicContact CG2-CG2 3.82Å |
| 142 | R | 95.9 | Very high | 95.2 | Very high | 127 Ų | 127 | 44.7 Ų | 44.7 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -60.6 | -34.1 | -171 | -71.1 | 179.9 | -168.1 | -60.6 | -4.6 | 113.4 | E114 M115 F116 D117 R140 | E114-R142 PolarHBondContact O-NE 3.44Å; E114-R142 VanDerWaalsContact O-NE 3.11Å; M115-R142 WeakPolarHBondContact O-CB 3.39Å; M115-R142 VanDerWaalsContact O-CG 3.3Å; M115-R142 WeakPolarHBondContact O-CG 3.43Å; M115-R142 PolarHBondContact O-N 3.26Å; F116-R142 PolarHBondContact O-NE 3.28Å; F116-R142 PolarHBondContact O-NH2 2.86Å; D117-R142 VanDerWaalsContact CA-NH2 3.35Å; D117-R142 HydrophobicContact CB-CG 4.26Å; D117-R142 VanDerWaalsContact CG-NH1 3.31Å; D117-R142 IonicContact OD1-CZ 3.63Å; D117-R142 IonicContact OD1-NH1 2.99Å; D117-R142 PolarHBondContact OD1-NH1 3.49Å; D117-R142 IonicContact OD1-NH2 3.38Å; D117-R142 PolarHBondContact OD1-NH2 2.86Å; R140-R142 PolarHBondContact O-N 3.39Å |
| 143 | K | 94.1 | Very high | 95.5 | Very high | 137 Ų | 137 | 45.3 Ų | 45.3 | 60% | 0.596 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -117.9 | 153.4 | -179.6 | -57.8 | -179.3 | -178.9 | 172.9 | 0 | 110.7 | M115 I141 | M115-K143 HydrophobicContact CE-CB 3.86Å; M115-K143 HydrophobicContact CE-CD 4.08Å; M115-K143 HydrophobicContact CE-CG 4.01Å; M115-K143 HydrophobicContact SD-CD 4.42Å; I141-K143 VanDerWaalsContact C-N 3.27Å; I141-K143 WeakPolarHBondContact CG2-O 3.33Å; I141-K143 PolarHBondContact O-N 3.43Å |
| 144 | P | 95.3 | Very high | 95.6 | Very high | 89 Ų | 89 | 52.2 Ų | 52.2 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | trans | -54.4 | 147.3 | 167.7 | -23.6 | 34.2 | 0 | 0 | 0 | 111.7 | I60 | I60-P144 HydrophobicContact CB-CB 4.19Å; I60-P144 HydrophobicContact CB-CG 4.26Å; I60-P144 HydrophobicContact CG2-CB 4.13Å; I60-P144 HydrophobicContact CG2-CG 4.17Å; I60-P144 VanDerWaalsContact O-CA 3.29Å; I60-P144 WeakPolarHBondContact O-CA 3.23Å | ||
| 145 | I | 96.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | trans | -127.2 | 156.8 | 180 | 61.9 | 164.6 | 0 | 0 | 0 | 111.1 | A59 I60 V61 L68 I111 I141 L150 | A59-I145 HydrophobicContact CB-CD1 4.05Å; A59-I145 HydrophobicContact CB-CG1 4.21Å; I60-I145 PolarHBondContact O-N 3.13Å; V61-I145 HydrophobicContact CG2-CD1 4.42Å; V61-I145 HydrophobicContact CG2-CG1 3.92Å; L68-I145 HydrophobicContact CD1-CD1 4.3Å; L68-I145 HydrophobicContact CD2-CD1 3.93Å; I111-I145 HydrophobicContact CD1-CD1 4.39Å; I141-I145 HydrophobicContact CD1-CD1 3.68Å; I141-I145 HydrophobicContact CD1-CG1 4.44Å; I141-I145 HydrophobicContact CD1-CG2 4.44Å; I141-I145 HydrophobicContact CG2-CG2 3.82Å; I145-L150 HydrophobicContact CD1-CD1 4.13Å | ||
| 146 | T | 96.6 | Very high | 95 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | trans | -114.2 | 103.9 | 168.1 | -63 | 0 | 0 | 0 | 0 | 107.4 | S148 S149 | T146-S148 WeakPolarHBondContact CG2-OG 3.02Å; T146-S148 PolarHBondContact O-N 3.31Å; T146-S149 PolarHBondContact O-N 2.82Å; T146-S149 PolarHBondContact O-OG 3.28Å | ||
| 147 | P | 94.4 | Very high | 94.6 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -54.9 | -31 | -173.4 | -29.8 | 35.4 | 0 | 0 | 0 | 114.8 | V61 L68 S149 L150 L160 A162 | V61-P147 HydrophobicContact CG1-CG 4.03Å; V61-P147 HydrophobicContact CG2-CG 4.11Å; L68-P147 HydrophobicContact CD1-CB 4.42Å; L68-P147 HydrophobicContact CD1-CG 4.17Å; P147-S149 VanDerWaalsContact C-N 3.27Å; P147-S149 PolarHBondContact O-N 3.09Å; P147-L150 PolarHBondContact O-N 3.29Å; P147-L160 HydrophobicContact CB-CB 4.13Å; P147-L160 HydrophobicContact CB-CD1 4.37Å; P147-A162 HydrophobicContact CG-CB 4.12Å |
| 148 | S | 93.1 | Very high | 94.3 | Very high | 116 Ų | 116 | 64 Ų | 64 | 81% | 0.811 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -72.1 | -14.6 | 177.2 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | T146 | T146-S148 WeakPolarHBondContact CG2-OG 3.02Å; T146-S148 PolarHBondContact O-N 3.31Å |
| 149 | S | 93.9 | Very high | 94 | Very high | 91 Ų | 91 | 65.5 Ų | 65.5 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -96.3 | 0.6 | 176.9 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | T146 P147 | T146-S149 PolarHBondContact O-N 2.82Å; T146-S149 PolarHBondContact O-OG 3.28Å; P147-S149 VanDerWaalsContact C-N 3.27Å; P147-S149 PolarHBondContact O-N 3.09Å |
| 150 | L | 95.4 | Very high | 93.8 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -82.4 | 146.2 | -179.4 | -65.4 | 179.3 | 0 | 0 | 0 | 111.4 | V109 I111 I145 P147 V152 L160 | V109-L150 WeakPolarHBondContact O-CB 3.39Å; I111-L150 HydrophobicContact CD1-CD1 3.77Å; I111-L150 HydrophobicContact CD1-CD2 4.19Å; I111-L150 HydrophobicContact CG1-CD1 4.08Å; I111-L150 HydrophobicContact CG1-CD2 3.76Å; I145-L150 HydrophobicContact CD1-CD1 4.13Å; P147-L150 PolarHBondContact O-N 3.29Å; L150-V152 HydrophobicContact CB-CG2 4.33Å; L150-V152 PolarHBondContact O-N 3.09Å; L150-L160 HydrophobicContact CB-CD1 4.09Å; L150-L160 HydrophobicContact CD1-CD1 3.54Å; L150-L160 HydrophobicContact CG-CD1 4.39Å |
| 151 | A | 94.2 | Very high | 93.7 | Very high | 79 Ų | 79 | 65.1 Ų | 65.1 | 65% | 0.653 | 36% | 0.355 | S | S | * | . | trans | -81.4 | 68 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 152 | V | 94.5 | Very high | 93.7 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 12% | 0.121 | 37% | 0.368 | C | S | . | . | trans | -67.6 | 129.9 | -177.6 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | L150 R154 V157 L160 | L150-V152 HydrophobicContact CB-CG2 4.33Å; L150-V152 PolarHBondContact O-N 3.09Å; V152-R154 PolarHBondContact O-N 2.89Å; V152-R154 VanDerWaalsContact O-N 3.11Å; V152-V157 HydrophobicContact CG1-CB 3.59Å; V152-V157 HydrophobicContact CG1-CG1 3.6Å; V152-L160 HydrophobicContact CG2-CD1 3.51Å; V152-L160 HydrophobicContact CG2-CD2 4.33Å; V152-L160 HydrophobicContact CG2-CG 3.63Å | ||
| 153 | N | 94.3 | Very high | 93.8 | Very high | 44 Ų | 44 | 61 Ų | 61 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | trans | -72.6 | 101.1 | 171 | 178.8 | 5.4 | 0 | 0 | 0 | 110.4 | E107 E108 N155 E156 V157 | E107-N153 WeakPolarHBondContact O-CB 3.3Å; E108-N153 PolarHBondContact O-N 3.16Å; N153-N155 PolarHBondContact O-N 3.08Å; N153-N155 WeakPolarHBondContact OD1-CB 3.32Å; N153-N155 PolarHBondContact OD1-N 2.81Å; N153-N155 VanDerWaalsContact OD1-N 3.1Å; N153-E156 PolarHBondContact ND2-OE1 3Å; N153-E156 PolarHBondContact O-N 2.68Å; N153-E156 VanDerWaalsContact O-N 3.09Å; N153-V157 PolarHBondContact O-N 2.99Å | ||
| 154 | R | 92.2 | Very high | 93.8 | Very high | 156 Ų | 156 | 55 Ų | 55 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -10.5 | -176.7 | -60.7 | -62.1 | -179.1 | 150.9 | 4.2 | 114.6 | V152 V157 E158 | V152-R154 PolarHBondContact O-N 2.89Å; V152-R154 VanDerWaalsContact O-N 3.11Å; R154-V157 WeakPolarHBondContact CA-O 3.36Å; R154-E158 PolarHBondContact NH1-O 2.79Å |
| 155 | N | 90.2 | Very high | 93.9 | Very high | 115 Ų | 115 | 51 Ų | 51 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -19 | 172.1 | -61 | -32.4 | 0 | 0 | 0 | 111.7 | H75 N153 | H75-N155 PolarHBondContact CE1-O 2.97Å; H75-N155 VanDerWaalsContact CE1-O 3.25Å; H75-N155 PolarHBondContact NE2-O 3.43Å; N153-N155 PolarHBondContact O-N 3.08Å; N153-N155 WeakPolarHBondContact OD1-CB 3.32Å; N153-N155 PolarHBondContact OD1-N 2.81Å; N153-N155 VanDerWaalsContact OD1-N 3.1Å |
| 156 | E | 87 | Confident | 93.7 | Very high | 69 Ų | 69 | 53.8 Ų | 53.8 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -36.2 | -176.4 | -66.3 | -178.8 | -146.5 | 0 | 0 | 111.9 | A73 L76 N153 | A73-E156 PolarHBondContact N-O 2.78Å; L76-E156 WeakPolarHBondContact CD1-O 3.2Å; N153-E156 PolarHBondContact ND2-OE1 3Å; N153-E156 PolarHBondContact O-N 2.68Å; N153-E156 VanDerWaalsContact O-N 3.09Å |
| 157 | V | 89.3 | Confident | 93.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.2 | -175 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | T70 I71 E108 V152 N153 R154 S159 L160 | T70-V157 HydrophobicContact CG2-CG1 4.11Å; T70-V157 HydrophobicContact CG2-CG2 3.87Å; I71-V157 CarbonylContact O-C 3.59Å; E108-V157 HydrophobicContact CB-CG2 3.96Å; E108-V157 HydrophobicContact CG-CG2 4.21Å; V152-V157 HydrophobicContact CG1-CB 3.59Å; V152-V157 HydrophobicContact CG1-CG1 3.6Å; N153-V157 PolarHBondContact O-N 2.99Å; R154-V157 WeakPolarHBondContact CA-O 3.36Å; V157-S159 VanDerWaalsContact CG1-O 3.3Å; V157-S159 WeakPolarHBondContact CG1-O 3.41Å; V157-L160 HydrophobicContact CG1-CD2 4.11Å |
| 158 | E | 90.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 33% | 0.327 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | -47.8 | 172.9 | -175.4 | -176.1 | 122.6 | 0 | 0 | 110.7 | I71 R154 R196 | I71-E158 HydrophobicContact CB-CB 4.39Å; I71-E158 HydrophobicContact CG2-CB 3.88Å; I71-E158 HydrophobicContact CG2-CG 4.4Å; I71-E158 WeakPolarHBondContact O-CB 3.33Å; I71-E158 PolarHBondContact O-N 3.01Å; R154-E158 PolarHBondContact NH1-O 2.79Å; E158-R196 IonicContact OE1-NH2 4Å; E158-R196 PolarHBondContact OE1-NH2 2.98Å |
| 159 | S | 92.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 160.7 | -178.6 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | I71 V157 | I71-S159 WeakPolarHBondContact CD1-OG 3.48Å; I71-S159 PolarHBondContact N-O 3.32Å; V157-S159 VanDerWaalsContact CG1-O 3.3Å; V157-S159 WeakPolarHBondContact CG1-O 3.41Å |
| 160 | L | 95.8 | Very high | 93.7 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 145.9 | 171 | -62.9 | 179.7 | 0 | 0 | 0 | 110.7 | L68 L69 T70 V109 P147 L150 V152 V157 | L68-L160 HydrophobicContact CD1-CB 4.26Å; L69-L160 WeakPolarHBondContact O-CA 3.43Å; T70-L160 HydrophobicContact CG2-CD2 3.92Å; V109-L160 HydrophobicContact CB-CD1 4.36Å; V109-L160 HydrophobicContact CB-CD2 4.15Å; V109-L160 HydrophobicContact CG1-CD2 3.76Å; P147-L160 HydrophobicContact CB-CB 4.13Å; P147-L160 HydrophobicContact CB-CD1 4.37Å; L150-L160 HydrophobicContact CB-CD1 4.09Å; L150-L160 HydrophobicContact CD1-CD1 3.54Å; L150-L160 HydrophobicContact CG-CD1 4.39Å; V152-L160 HydrophobicContact CG2-CD1 3.51Å; V152-L160 HydrophobicContact CG2-CD2 4.33Å; V152-L160 HydrophobicContact CG2-CG 3.63Å; V157-L160 HydrophobicContact CG1-CD2 4.11Å |
| 161 | L | 95.5 | Very high | 93.5 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 118 | 176.5 | 175.8 | 70.7 | 0 | 0 | 0 | 109 | L69 I71 I83 V163 L192 | L69-L161 HydrophobicContact CB-CB 4.42Å; L69-L161 PolarHBondContact N-O 2.9Å; L69-L161 PolarHBondContact O-N 3.4Å; I71-L161 HydrophobicContact CD1-CB 4.39Å; I83-L161 HydrophobicContact CD1-CD2 3.97Å; I83-L161 HydrophobicContact CG2-CD2 4.39Å; L161-V163 HydrophobicContact CD1-CG2 4.38Å; L161-V163 HydrophobicContact CD2-CG2 3.54Å; L161-V163 HydrophobicContact CG-CG2 3.62Å; L161-L192 HydrophobicContact CD2-CD1 3.44Å; L161-L192 VanDerWaalsContact CD2-CD1 3.44Å |
| 162 | A | 96.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 115.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V61 L68 P147 | V61-A162 HydrophobicContact CB-CB 4.16Å; V61-A162 HydrophobicContact CG1-CB 4.19Å; V61-A162 HydrophobicContact CG2-CB 3.74Å; L68-A162 HydrophobicContact CD1-CB 4.42Å; P147-A162 HydrophobicContact CG-CB 4.12Å |
| 163 | V | 97 | Very high | 93.5 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 116 | 179.1 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | S66 I67 L69 L161 V165 L168 L192 I198 | S66-V163 CarbonylContact C-O 3.56Å; S66-V163 WeakPolarHBondContact CA-O 3.15Å; I67-V163 PolarHBondContact N-O 2.96Å; I67-V163 PolarHBondContact O-N 3.31Å; L69-V163 HydrophobicContact CD1-CG2 3.74Å; L161-V163 HydrophobicContact CD1-CG2 4.38Å; L161-V163 HydrophobicContact CD2-CG2 3.54Å; L161-V163 HydrophobicContact CG-CG2 3.62Å; V163-V165 PolarHBondContact O-N 3.11Å; V163-L168 HydrophobicContact CG1-CD1 4.1Å; V163-L168 HydrophobicContact CG1-CD2 3.75Å; V163-L168 HydrophobicContact CG1-CG 3.74Å; V163-L192 HydrophobicContact CG1-CD2 3.75Å; V163-L192 HydrophobicContact CG2-CD2 4.04Å; V163-I198 HydrophobicContact CG2-CD1 4.16Å |
| 164 | A | 95.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 131.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V64 P65 K166 D167 L168 | V64-A164 HydrophobicContact CG1-CB 3.51Å; P65-A164 WeakPolarHBondContact O-CA 3.45Å; A164-K166 HydrophobicContact CB-CG 4.02Å; A164-K166 PolarHBondContact O-N 3.05Å; A164-K166 VanDerWaalsContact O-N 3.16Å; A164-D167 HydrophobicContact CB-CB 4.19Å; A164-D167 WeakPolarHBondContact O-CB 3.32Å; A164-D167 PolarHBondContact O-N 2.94Å; A164-L168 PolarHBondContact O-N 3.3Å |
| 165 | V | 96 | Very high | 93.5 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.8 | -38.2 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | P65 I67 V163 D167 L168 C169 L210 L213 V214 | P65-V165 HydrophobicContact CB-CG2 4.37Å; P65-V165 PolarHBondContact O-N 3.14Å; I67-V165 HydrophobicContact CG1-CG2 4.33Å; V163-V165 PolarHBondContact O-N 3.11Å; V165-D167 VanDerWaalsContact C-N 3.3Å; V165-D167 PolarHBondContact O-N 3.06Å; V165-L168 PolarHBondContact O-N 2.84Å; V165-C169 PolarHBondContact O-N 2.98Å; V165-C169 PolarHBondContact O-SG 2.85Å; V165-L210 HydrophobicContact CG1-CD2 3.89Å; V165-L213 HydrophobicContact CG1-CD2 4.41Å; V165-L213 HydrophobicContact CG2-CD2 4.24Å; V165-V214 HydrophobicContact CG1-CG1 4.18Å; V165-V214 HydrophobicContact CG1-CG2 4.03Å |
| 166 | K | 93.4 | Very high | 93.5 | Very high | 78 Ų | 78 | 45.5 Ų | 45.5 | 34% | 0.339 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -35.7 | 177.8 | 81 | -171.6 | 174.7 | -175.7 | 0 | 113.6 | L13 A164 C169 | L13-K166 HydrophobicContact CD1-CB 3.38Å; L13-K166 HydrophobicContact CG-CB 4.36Å; A164-K166 HydrophobicContact CB-CG 4.02Å; A164-K166 PolarHBondContact O-N 3.05Å; A164-K166 VanDerWaalsContact O-N 3.16Å; K166-C169 PolarHBondContact O-N 2.99Å |
| 167 | D | 94.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.7 | -37.9 | -179.3 | -82.7 | -2.6 | 0 | 0 | 0 | 109.8 | A164 V165 C169 K170 Q173 K193 | A164-D167 HydrophobicContact CB-CB 4.19Å; A164-D167 WeakPolarHBondContact O-CB 3.32Å; A164-D167 PolarHBondContact O-N 2.94Å; V165-D167 VanDerWaalsContact C-N 3.3Å; V165-D167 PolarHBondContact O-N 3.06Å; D167-C169 PolarHBondContact O-N 2.86Å; D167-K170 WeakPolarHBondContact O-CB 3.35Å; D167-K170 PolarHBondContact O-N 3.15Å; D167-K170 VanDerWaalsContact O-N 3.17Å; D167-K170 IonicContact OD1-NZ 3.5Å; D167-K170 PolarHBondContact OD1-NZ 2.83Å; D167-Q173 WeakPolarHBondContact O-CB 3.34Å; D167-Q173 VanDerWaalsContact O-CD 3.32Å; D167-Q173 PolarHBondContact O-OE1 2.64Å; D167-K193 IonicContact OD2-NZ 3.43Å |
| 168 | L | 95.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -22.5 | 172.7 | -63.1 | 166.7 | 0 | 0 | 0 | 113.7 | I67 V163 A164 V165 Y190 I198 I206 L210 | I67-L168 HydrophobicContact CD1-CD1 3.87Å; I67-L168 HydrophobicContact CG1-CD1 4.44Å; V163-L168 HydrophobicContact CG1-CD1 4.1Å; V163-L168 HydrophobicContact CG1-CD2 3.75Å; V163-L168 HydrophobicContact CG1-CG 3.74Å; A164-L168 PolarHBondContact O-N 3.3Å; V165-L168 PolarHBondContact O-N 2.84Å; L168-Y190 HydrophobicContact CB-CD1 4.24Å; L168-Y190 HydrophobicContact CB-CE1 4.27Å; L168-Y190 HydrophobicContact CD2-CD1 3.51Å; L168-Y190 HydrophobicContact CD2-CD2 4.25Å; L168-Y190 HydrophobicContact CD2-CE1 4.13Å; L168-Y190 HydrophobicContact CD2-CG 3.57Å; L168-I198 HydrophobicContact CD2-CD1 4.44Å; L168-I206 HydrophobicContact CD1-CG2 3.94Å; L168-I206 HydrophobicContact CD2-CG2 4.38Å; L168-L210 HydrophobicContact CB-CD1 3.62Å; L168-L210 HydrophobicContact CD1-CD1 4.22Å; L168-L210 HydrophobicContact CD1-CD2 4.46Å; L168-L210 HydrophobicContact CG-CD1 4.47Å |
| 169 | C | 93.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -15.8 | 177.4 | -63.4 | 0 | 0 | 0 | 0 | 113.7 | V165 K166 D167 Q174 | V165-C169 PolarHBondContact O-N 2.98Å; V165-C169 PolarHBondContact O-SG 2.85Å; K166-C169 PolarHBondContact O-N 2.99Å; D167-C169 PolarHBondContact O-N 2.86Å; C169-Q174 PolarHBondContact O-NE2 3.2Å; C169-Q174 VanDerWaalsContact O-NE2 3.17Å |
| 170 | K | 93.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71 | 135.7 | -179.1 | -75.2 | 174.5 | -177 | 165.1 | 0 | 111.2 | D167 E172 Q173 Q174 | D167-K170 WeakPolarHBondContact O-CB 3.35Å; D167-K170 PolarHBondContact O-N 3.15Å; D167-K170 VanDerWaalsContact O-N 3.17Å; D167-K170 IonicContact OD1-NZ 3.5Å; D167-K170 PolarHBondContact OD1-NZ 2.83Å; K170-E172 VanDerWaalsContact C-N 3.3Å; K170-E172 HydrophobicContact CB-CG 4.36Å; K170-E172 PolarHBondContact O-N 3.36Å; K170-Q173 HydrophobicContact CB-CB 4.26Å; K170-Q173 HydrophobicContact CB-CG 4.13Å; K170-Q173 PolarHBondContact O-N 2.85Å; K170-Q173 VanDerWaalsContact O-N 3.11Å; K170-Q174 WeakPolarHBondContact O-CG 3.22Å; K170-Q174 PolarHBondContact O-N 3.29Å |
| 171 | K | 92.7 | Very high | 89.4 | Confident | 162 Ų | 162 | 55.7 Ų | 55.7 | 70% | 0.704 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -62.3 | -40.4 | -176.7 | -173.7 | 179.3 | 178.6 | -178.6 | 0 | 111.3 | Q173 Q174 I221 | K171-Q173 PolarHBondContact O-N 3.42Å; K171-Q174 PolarHBondContact O-N 2.98Å; K171-Q174 VanDerWaalsContact O-N 3.13Å; K171-I221 HydrophobicContact CG-CG2 3.85Å |
| 172 | E | 93.5 | Very high | 87.8 | Confident | 139 Ų | 139 | 57.6 Ų | 57.6 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -67.9 | -16.4 | 178.5 | 65.5 | -88 | -152.9 | 0 | 0 | 113.9 | K170 | K170-E172 VanDerWaalsContact C-N 3.3Å; K170-E172 HydrophobicContact CB-CG 4.36Å; K170-E172 PolarHBondContact O-N 3.36Å |
| 173 | Q | 94.3 | Very high | 86.1 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -100.5 | -1.2 | 174.8 | -62.4 | -163.6 | -101.1 | 0 | 0 | 112.7 | D167 K170 K171 Y190 L191 | D167-Q173 WeakPolarHBondContact O-CB 3.34Å; D167-Q173 VanDerWaalsContact O-CD 3.32Å; D167-Q173 PolarHBondContact O-OE1 2.64Å; K170-Q173 HydrophobicContact CB-CB 4.26Å; K170-Q173 HydrophobicContact CB-CG 4.13Å; K170-Q173 PolarHBondContact O-N 2.85Å; K170-Q173 VanDerWaalsContact O-N 3.11Å; K171-Q173 PolarHBondContact O-N 3.42Å; Q173-Y190 CarbonylContact O-C 3.51Å; Q173-Y190 VanDerWaalsContact O-CA 3.28Å; Q173-Y190 WeakPolarHBondContact O-CA 3.44Å; Q173-L191 WeakPolarHBondContact CB-O 3.34Å; Q173-L191 PolarHBondContact NE2-O 3.07Å; Q173-L191 VanDerWaalsContact NE2-O 3.09Å; Q173-L191 PolarHBondContact O-N 2.96Å |
| 174 | Q | 94.8 | Very high | 84.6 | Confident | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 136.4 | 173.3 | -66 | 179 | 53.4 | 0 | 0 | 109.4 | C169 K170 K171 Y190 K219 S220 I221 | C169-Q174 PolarHBondContact O-NE2 3.2Å; C169-Q174 VanDerWaalsContact O-NE2 3.17Å; K170-Q174 WeakPolarHBondContact O-CG 3.22Å; K170-Q174 PolarHBondContact O-N 3.29Å; K171-Q174 PolarHBondContact O-N 2.98Å; K171-Q174 VanDerWaalsContact O-N 3.13Å; Q174-Y190 HydrophobicContact CG-CD1 4.25Å; Q174-Y190 HydrophobicContact CG-CE1 4.14Å; Q174-K219 PolarHBondContact NE2-O 3.07Å; Q174-K219 PolarHBondContact OE1-O 2.7Å; Q174-S220 VanDerWaalsContact OE1-CA 3.32Å; Q174-I221 VanDerWaalsContact C-CD1 3.48Å; Q174-I221 HydrophobicContact CB-CD1 3.92Å; Q174-I221 HydrophobicContact CB-CG1 3.95Å; Q174-I221 HydrophobicContact CB-CG2 4.1Å; Q174-I221 VanDerWaalsContact O-CD1 3.31Å; Q174-I221 WeakPolarHBondContact O-CD1 3.31Å |
| 175 | A | 92.8 | Very high | 83.5 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 22% | 0.223 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 178 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V189 L191 | A175-V189 CarbonylContact C-O 3.54Å; A175-V189 HydrophobicContact CB-CB 3.97Å; A175-V189 HydrophobicContact CB-CG1 4.21Å; A175-V189 PolarHBondContact N-O 2.91Å; A175-V189 PolarHBondContact O-N 3.43Å; A175-V189 VanDerWaalsContact O-O 3.04Å; A175-L191 HydrophobicContact CB-CD1 4.07Å; A175-L191 HydrophobicContact CB-CD2 4.4Å; A175-L191 HydrophobicContact CB-CG 4.04Å |
| 176 | Y | 88.7 | Confident | 82.9 | Confident | 109 Ų | 109 | 68 Ų | 68 | 43% | 0.427 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156 | 171.4 | 57.7 | -96.2 | 0 | 0 | 0 | 110.8 | N178 T186 L187 I221 L222 L226 | Y176-N178 WeakPolarHBondContact CD2-OD1 3.25Å; Y176-T186 HydrophobicContact CD2-CG2 3.6Å; Y176-T186 HydrophobicContact CG-CG2 3.81Å; Y176-L187 CarbonylContact C-O 3.58Å; Y176-L187 WeakPolarHBondContact CA-O 3.45Å; Y176-L187 WeakPolarHBondContact CB-O 3.46Å; Y176-I221 HydrophobicContact CD1-CD1 3.82Å; Y176-I221 HydrophobicContact CD1-CG1 4.28Å; Y176-I221 HydrophobicContact CE1-CD1 4.35Å; Y176-L222 HydrophobicContact CG-CD2 4.26Å; Y176-L226 HydrophobicContact CE1-CD1 4.44Å |
| 177 | T | 83.7 | Confident | 82.6 | Confident | 49 Ų | 49 | 65 Ų | 65 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.4 | 171.6 | -61 | 0 | 0 | 0 | 0 | 108.6 | F179 T186 L187 V189 | T177-F179 HydrophobicContact CG2-CD2 4.17Å; T177-F179 HydrophobicContact CG2-CE1 4.35Å; T177-F179 HydrophobicContact CG2-CE2 3.62Å; T177-F179 HydrophobicContact CG2-CZ 3.73Å; T177-T186 WeakPolarHBondContact O-CA 3.33Å; T177-L187 PolarHBondContact N-O 2.93Å; T177-L187 PolarHBondContact O-N 2.86Å; T177-V189 VanDerWaalsContact OG1-CG2 3.25Å; T177-V189 WeakPolarHBondContact OG1-CG2 3.23Å |
| 178 | N | 80.9 | Confident | 82.5 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.6 | 173.4 | -69.4 | -16.8 | 0 | 0 | 0 | 108.6 | Y176 T186 | Y176-N178 WeakPolarHBondContact CD2-OD1 3.25Å; N178-T186 WeakPolarHBondContact OD1-CB 3.33Å; N178-T186 WeakPolarHBondContact OD1-CG2 3.48Å; N178-T186 PolarHBondContact OD1-OG1 2.86Å |
| 179 | F | 74.7 | Confident | 82.4 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118.3 | 168.9 | -65.4 | -90.7 | 0 | 0 | 0 | 107.5 | T177 T181 G184 Y185 L187 | T177-F179 HydrophobicContact CG2-CD2 4.17Å; T177-F179 HydrophobicContact CG2-CE1 4.35Å; T177-F179 HydrophobicContact CG2-CE2 3.62Å; T177-F179 HydrophobicContact CG2-CZ 3.73Å; F179-T181 VanDerWaalsContact C-N 3.28Å; F179-G184 CarbonylContact O-C 3.6Å; F179-G184 WeakPolarHBondContact O-CA 3.13Å; F179-Y185 HydrophobicContact CB-CD1 4.15Å; F179-Y185 HydrophobicContact CB-CD2 4.12Å; F179-Y185 HydrophobicContact CB-CE1 3.82Å; F179-Y185 HydrophobicContact CB-CE2 3.77Å; F179-Y185 HydrophobicContact CB-CG 4.29Å; F179-Y185 HydrophobicContact CD1-CE2 4.41Å; F179-Y185 AromaticContact CD2-CD2 3.78Å; F179-Y185 HydrophobicContact CD2-CD2 3.78Å; F179-Y185 AromaticContact CD2-CE2 3.29Å; F179-Y185 HydrophobicContact CD2-CE2 3.29Å; F179-Y185 AromaticContact CD2-CZ 3.91Å; F179-Y185 AromaticContact CE2-CE2 3.98Å; F179-Y185 HydrophobicContact CE2-CE2 3.98Å; F179-Y185 HydrophobicContact CG-CD2 4.21Å; F179-Y185 HydrophobicContact CG-CE1 4.37Å; F179-Y185 AromaticContact CG-CE2 3.56Å; F179-Y185 HydrophobicContact CG-CE2 3.56Å; F179-Y185 AromaticContact CG-CZ 3.65Å; F179-Y185 PolarHBondContact N-O 3.08Å; F179-Y185 PolarHBondContact O-N 3.1Å; F179-L187 HydrophobicContact CD2-CD1 4.28Å; F179-L187 HydrophobicContact CD2-CG 4.18Å; F179-L187 HydrophobicContact CE2-CB 4.2Å; F179-L187 HydrophobicContact CE2-CD1 3.73Å; F179-L187 HydrophobicContact CE2-CG 3.93Å; F179-L187 HydrophobicContact CZ-CD1 4.48Å |
| 180 | S | 69.5 | Low | 82.5 | Confident | 118 Ų | 118 | 63.4 Ų | 63.4 | 83% | 0.825 | 35% | 0.351 | S | S | * | . | trans | -87.6 | 6.2 | -179.8 | 52 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 181 | T | 59.7 | Low | 82.6 | Confident | 96 Ų | 96 | 64 Ų | 64 | 59% | 0.589 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -85.1 | 132.2 | -179.9 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | F179 G184 | F179-T181 VanDerWaalsContact C-N 3.28Å; T181-G184 PolarHBondContact O-N 3.2Å |
| 182 | G | 63.4 | Low | 82.7 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 83% | 0.825 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | -134.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | G184 | G182-G184 PolarHBondContact O-N 3.36Å; G182-G184 VanDerWaalsContact O-N 3.08Å |
| 183 | L | 60.8 | Low | 82.6 | Confident | 151 Ų | 151 | 58.3 Ų | 58.3 | 79% | 0.791 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -9.6 | 176.6 | -83.1 | 156.8 | 0 | 0 | 0 | 113.8 | ||
| 184 | G | 66 | Low | 82.4 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | trans | 72.3 | 131.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F179 T181 G182 | F179-G184 CarbonylContact O-C 3.6Å; F179-G184 WeakPolarHBondContact O-CA 3.13Å; T181-G184 PolarHBondContact O-N 3.2Å; G182-G184 PolarHBondContact O-N 3.36Å; G182-G184 VanDerWaalsContact O-N 3.08Å | ||
| 185 | Y | 72.3 | Confident | 82.2 | Confident | 83 Ų | 83 | 64.3 Ų | 64.3 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 145.5 | 175.3 | 60.5 | -90 | 0 | 0 | 0 | 111 | F179 L187 | F179-Y185 HydrophobicContact CB-CD1 4.15Å; F179-Y185 HydrophobicContact CB-CD2 4.12Å; F179-Y185 HydrophobicContact CB-CE1 3.82Å; F179-Y185 HydrophobicContact CB-CE2 3.77Å; F179-Y185 HydrophobicContact CB-CG 4.29Å; F179-Y185 HydrophobicContact CD1-CE2 4.41Å; F179-Y185 AromaticContact CD2-CD2 3.78Å; F179-Y185 HydrophobicContact CD2-CD2 3.78Å; F179-Y185 AromaticContact CD2-CE2 3.29Å; F179-Y185 HydrophobicContact CD2-CE2 3.29Å; F179-Y185 AromaticContact CD2-CZ 3.91Å; F179-Y185 AromaticContact CE2-CE2 3.98Å; F179-Y185 HydrophobicContact CE2-CE2 3.98Å; F179-Y185 HydrophobicContact CG-CD2 4.21Å; F179-Y185 HydrophobicContact CG-CE1 4.37Å; F179-Y185 AromaticContact CG-CE2 3.56Å; F179-Y185 HydrophobicContact CG-CE2 3.56Å; F179-Y185 AromaticContact CG-CZ 3.65Å; F179-Y185 PolarHBondContact N-O 3.08Å; F179-Y185 PolarHBondContact O-N 3.1Å; Y185-L187 HydrophobicContact CD2-CD1 4.15Å; Y185-L187 HydrophobicContact CD2-CD2 3.77Å; Y185-L187 HydrophobicContact CD2-CG 3.69Å; Y185-L187 HydrophobicContact CE2-CD1 3.74Å; Y185-L187 HydrophobicContact CE2-CD2 4.2Å; Y185-L187 HydrophobicContact CE2-CG 3.8Å |
| 186 | T | 82.7 | Confident | 82.1 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128 | 177.3 | -55 | 0 | 0 | 0 | 0 | 109.4 | Y176 T177 N178 L222 L226 | Y176-T186 HydrophobicContact CD2-CG2 3.6Å; Y176-T186 HydrophobicContact CG-CG2 3.81Å; T177-T186 WeakPolarHBondContact O-CA 3.33Å; N178-T186 WeakPolarHBondContact OD1-CB 3.33Å; N178-T186 WeakPolarHBondContact OD1-CG2 3.48Å; N178-T186 PolarHBondContact OD1-OG1 2.86Å; T186-L222 HydrophobicContact CG2-CD2 3.6Å; T186-L226 VanDerWaalsContact CB-O 3.25Å; T186-L226 WeakPolarHBondContact CB-O 3.34Å; T186-L226 HydrophobicContact CG2-CB 4.39Å; T186-L226 HydrophobicContact CG2-CD2 4.48Å |
| 187 | L | 86.6 | Confident | 82.4 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 148.1 | 178.8 | -61.6 | -172.5 | 0 | 0 | 0 | 111.5 | Y176 T177 F179 Y185 I204 M228 | Y176-L187 CarbonylContact C-O 3.58Å; Y176-L187 WeakPolarHBondContact CA-O 3.45Å; Y176-L187 WeakPolarHBondContact CB-O 3.46Å; T177-L187 PolarHBondContact N-O 2.93Å; T177-L187 PolarHBondContact O-N 2.86Å; F179-L187 HydrophobicContact CD2-CD1 4.28Å; F179-L187 HydrophobicContact CD2-CG 4.18Å; F179-L187 HydrophobicContact CE2-CB 4.2Å; F179-L187 HydrophobicContact CE2-CD1 3.73Å; F179-L187 HydrophobicContact CE2-CG 3.93Å; F179-L187 HydrophobicContact CZ-CD1 4.48Å; Y185-L187 HydrophobicContact CD2-CD1 4.15Å; Y185-L187 HydrophobicContact CD2-CD2 3.77Å; Y185-L187 HydrophobicContact CD2-CG 3.69Å; Y185-L187 HydrophobicContact CE2-CD1 3.74Å; Y185-L187 HydrophobicContact CE2-CD2 4.2Å; Y185-L187 HydrophobicContact CE2-CG 3.8Å; L187-I204 HydrophobicContact CD1-CD1 4.03Å; L187-I204 HydrophobicContact CD2-CD1 3.7Å; L187-I204 HydrophobicContact CD2-CG1 4.01Å; L187-I204 HydrophobicContact CG-CD1 4.44Å; L187-M228 HydrophobicContact CD2-CG 4.27Å; L187-M228 HydrophobicContact CD2-SD 3.98Å |
| 188 | P | 92.2 | Very high | 82.9 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 147.5 | 173 | 27.6 | -33.7 | 0 | 0 | 0 | 110.9 | Y190 A203 I204 H207 L222 | P188-Y190 HydrophobicContact CB-CE2 4.35Å; P188-A203 HydrophobicContact CB-CB 4.39Å; P188-A203 HydrophobicContact CG-CB 4.05Å; P188-A203 WeakPolarHBondContact CG-O 3.17Å; P188-A203 WeakPolarHBondContact O-CB 3.31Å; P188-I204 HydrophobicContact CG-CG1 4.39Å; P188-H207 HydrophobicContact CB-CB 4.29Å; P188-H207 HydrophobicContact CG-CB 3.91Å; P188-L222 HydrophobicContact CB-CD1 3.82Å; P188-L222 HydrophobicContact CG-CD1 4.21Å |
| 189 | V | 94 | Very high | 83.5 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.3 | 167.4 | 175.3 | 0 | 0 | 0 | 0 | 108.2 | A175 T177 L191 R197 I198 W199 | A175-V189 CarbonylContact C-O 3.54Å; A175-V189 HydrophobicContact CB-CB 3.97Å; A175-V189 HydrophobicContact CB-CG1 4.21Å; A175-V189 PolarHBondContact N-O 2.91Å; A175-V189 PolarHBondContact O-N 3.43Å; A175-V189 VanDerWaalsContact O-O 3.04Å; T177-V189 VanDerWaalsContact OG1-CG2 3.25Å; T177-V189 WeakPolarHBondContact OG1-CG2 3.23Å; V189-L191 HydrophobicContact CG1-CD2 4.06Å; V189-R197 HydrophobicContact CG1-CB 4.08Å; V189-I198 CarbonylContact C-O 3.52Å; V189-I198 WeakPolarHBondContact CA-O 3.4Å; V189-W199 HydrophobicContact CG2-CB 4.01Å |
| 190 | Y | 96.2 | Very high | 84.2 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126 | 171.7 | -57.7 | -86 | 0 | 0 | 0 | 110.3 | L168 Q173 Q174 P188 R197 I198 A203 I206 H207 L210 Y218 | L168-Y190 HydrophobicContact CB-CD1 4.24Å; L168-Y190 HydrophobicContact CB-CE1 4.27Å; L168-Y190 HydrophobicContact CD2-CD1 3.51Å; L168-Y190 HydrophobicContact CD2-CD2 4.25Å; L168-Y190 HydrophobicContact CD2-CE1 4.13Å; L168-Y190 HydrophobicContact CD2-CG 3.57Å; Q173-Y190 CarbonylContact O-C 3.51Å; Q173-Y190 VanDerWaalsContact O-CA 3.28Å; Q173-Y190 WeakPolarHBondContact O-CA 3.44Å; Q174-Y190 HydrophobicContact CG-CD1 4.25Å; Q174-Y190 HydrophobicContact CG-CE1 4.14Å; P188-Y190 HydrophobicContact CB-CE2 4.35Å; Y190-R197 CarbonylContact O-C 3.57Å; Y190-R197 WeakPolarHBondContact O-CA 3.39Å; Y190-I198 HydrophobicContact CD2-CB 4.44Å; Y190-I198 PolarHBondContact N-O 3.18Å; Y190-I198 PolarHBondContact O-N 2.86Å; Y190-A203 HydrophobicContact CD2-CB 4.01Å; Y190-A203 HydrophobicContact CE2-CB 4.04Å; Y190-I206 HydrophobicContact CD2-CB 4.48Å; Y190-I206 HydrophobicContact CD2-CD1 4.49Å; Y190-I206 HydrophobicContact CD2-CG2 4.13Å; Y190-I206 HydrophobicContact CE1-CG2 4.31Å; Y190-I206 HydrophobicContact CE2-CB 3.8Å; Y190-I206 HydrophobicContact CE2-CG2 3.46Å; Y190-I206 VanDerWaalsContact CE2-CG2 3.46Å; Y190-H207 VanDerWaalsContact OH-CA 3.3Å; Y190-H207 WeakPolarHBondContact OH-CA 3.42Å; Y190-H207 PolarHBondContact OH-N 3.22Å; Y190-L210 HydrophobicContact CE1-CD1 4.08Å; Y190-Y218 HydrophobicContact CE1-CE2 4.12Å; Y190-Y218 PolarHBondContact OH-OH 3.34Å |
| 191 | L | 95.5 | Very high | 85.2 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 41% | 0.408 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.6 | 178.8 | -56.8 | 179.7 | 0 | 0 | 0 | 109.3 | Q173 A175 V189 R197 | Q173-L191 WeakPolarHBondContact CB-O 3.34Å; Q173-L191 PolarHBondContact NE2-O 3.07Å; Q173-L191 VanDerWaalsContact NE2-O 3.09Å; Q173-L191 PolarHBondContact O-N 2.96Å; A175-L191 HydrophobicContact CB-CD1 4.07Å; A175-L191 HydrophobicContact CB-CD2 4.4Å; A175-L191 HydrophobicContact CB-CG 4.04Å; V189-L191 HydrophobicContact CG1-CD2 4.06Å; L191-R197 HydrophobicContact CD2-CB 4.28Å |
| 192 | L | 94.8 | Very high | 86.9 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | trans | -91.5 | 149.6 | 179.4 | -55 | 174.7 | 0 | 0 | 0 | 109.9 | I83 L161 V163 S194 G195 R196 I198 | I83-L192 HydrophobicContact CD1-CD1 3.52Å; L161-L192 HydrophobicContact CD2-CD1 3.44Å; L161-L192 VanDerWaalsContact CD2-CD1 3.44Å; V163-L192 HydrophobicContact CG1-CD2 3.75Å; V163-L192 HydrophobicContact CG2-CD2 4.04Å; L192-S194 PolarHBondContact O-N 3.29Å; L192-S194 VanDerWaalsContact O-N 3.07Å; L192-G195 PolarHBondContact O-N 2.79Å; L192-R196 WeakPolarHBondContact CB-O 3.42Å; L192-R196 HydrophobicContact CD1-CB 4.14Å; L192-R196 PolarHBondContact N-O 2.92Å; L192-I198 HydrophobicContact CD1-CD1 4.22Å; L192-I198 HydrophobicContact CD1-CG1 4Å; L192-I198 HydrophobicContact CD2-CD1 3.88Å; L192-I198 HydrophobicContact CD2-CG1 4.35Å; L192-I198 HydrophobicContact CG-CD1 4.35Å; L192-I198 HydrophobicContact CG-CG1 4.27Å | ||
| 193 | K | 90.9 | Very high | 88.3 | Confident | 162 Ų | 162 | 53 Ų | 53 | 70% | 0.704 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23 | 176.8 | -65.9 | -179.2 | -179.4 | 170.8 | 0 | 113.5 | D167 G195 | D167-K193 IonicContact OD2-NZ 3.43Å; K193-G195 PolarHBondContact O-N 2.85Å |
| 194 | S | 89.6 | Confident | 89.8 | Confident | 83 Ų | 83 | 47.1 Ų | 47.1 | 58% | 0.58 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -3.3 | 174.1 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | L192 R196 | L192-S194 PolarHBondContact O-N 3.29Å; L192-S194 VanDerWaalsContact O-N 3.07Å; S194-R196 PolarHBondContact O-N 2.95Å |
| 195 | G | 90.6 | Very high | 91.2 | Very high | 73 Ų | 73 | 46 Ų | 46 | 75% | 0.753 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 82.5 | -6.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L192 K193 | L192-G195 PolarHBondContact O-N 2.79Å; K193-G195 PolarHBondContact O-N 2.85Å |
| 196 | R | 91.8 | Very high | 92.4 | Very high | 95 Ų | 95 | 42 Ų | 42 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | trans | -76.9 | 156.4 | 173.6 | -62.9 | -173.5 | -177.2 | -144.5 | 8.4 | 110.9 | I83 E158 L192 S194 | I83-R196 HydrophobicContact CD1-CB 3.87Å; E158-R196 IonicContact OE1-NH2 4Å; E158-R196 PolarHBondContact OE1-NH2 2.98Å; L192-R196 WeakPolarHBondContact CB-O 3.42Å; L192-R196 HydrophobicContact CD1-CB 4.14Å; L192-R196 PolarHBondContact N-O 2.92Å; S194-R196 PolarHBondContact O-N 2.95Å | ||
| 197 | R | 93.9 | Very high | 92.9 | Very high | 142 Ų | 142 | 42.3 Ų | 42.3 | 54% | 0.536 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.3 | 176.4 | 68.1 | -177.3 | -175.5 | -163.6 | -0.4 | 111.6 | V189 Y190 L191 W199 | V189-R197 HydrophobicContact CG1-CB 4.08Å; Y190-R197 CarbonylContact O-C 3.57Å; Y190-R197 WeakPolarHBondContact O-CA 3.39Å; L191-R197 HydrophobicContact CD2-CB 4.28Å; R197-W199 HydrophobicContact CG-CG 4.41Å |
| 198 | I | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.1 | 165.8 | -49.6 | 168.9 | 0 | 0 | 0 | 107.1 | L69 I83 V163 L168 V189 Y190 L192 T202 A203 I206 | L69-I198 HydrophobicContact CD1-CD1 3.51Å; L69-I198 HydrophobicContact CD1-CG1 4.31Å; I83-I198 HydrophobicContact CB-CG1 4.39Å; I83-I198 HydrophobicContact CD1-CG1 4.08Å; I83-I198 HydrophobicContact CG2-CG1 4.02Å; V163-I198 HydrophobicContact CG2-CD1 4.16Å; L168-I198 HydrophobicContact CD2-CD1 4.44Å; V189-I198 CarbonylContact C-O 3.52Å; V189-I198 WeakPolarHBondContact CA-O 3.4Å; Y190-I198 HydrophobicContact CD2-CB 4.44Å; Y190-I198 PolarHBondContact N-O 3.18Å; Y190-I198 PolarHBondContact O-N 2.86Å; L192-I198 HydrophobicContact CD1-CD1 4.22Å; L192-I198 HydrophobicContact CD1-CG1 4Å; L192-I198 HydrophobicContact CD2-CD1 3.88Å; L192-I198 HydrophobicContact CD2-CG1 4.35Å; L192-I198 HydrophobicContact CG-CD1 4.35Å; L192-I198 HydrophobicContact CG-CG1 4.27Å; I198-T202 HydrophobicContact CG2-CG2 3.56Å; I198-A203 HydrophobicContact CG2-CB 4.34Å; I198-I206 HydrophobicContact CD1-CD1 4.05Å; I198-I206 HydrophobicContact CG2-CD1 3.88Å |
| 199 | W | 92.6 | Very high | 93.4 | Very high | 89 Ų | 89 | 41.5 Ų | 41.5 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | trans | -149.8 | 176.7 | -172.4 | 67.7 | -65.3 | 0 | 0 | 0 | 110.3 | V189 R197 | V189-W199 HydrophobicContact CG2-CB 4.01Å; R197-W199 HydrophobicContact CG-CG 4.41Å | ||
| 200 | G | 89.2 | Confident | 93.4 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | 65.5 | -147.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T202 A203 I204 | G200-T202 VanDerWaalsContact C-N 3.29Å; G200-T202 PolarHBondContact O-N 3.43Å; G200-A203 PolarHBondContact O-N 3.2Å; G200-A203 VanDerWaalsContact O-N 3.08Å; G200-I204 WeakPolarHBondContact O-CG1 3.25Å; G200-I204 PolarHBondContact O-N 2.92Å; G200-I204 VanDerWaalsContact O-N 3.1Å |
| 201 | L | 90.3 | Very high | 93.3 | Very high | 35 Ų | 35 | 43 Ų | 43 | 18% | 0.183 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.1 | -40.4 | -176 | 179.5 | 58 | 0 | 0 | 0 | 112.7 | H125 V134 A203 I204 I205 | H125-L201 HydrophobicContact CB-CD1 3.43Å; H125-L201 VanDerWaalsContact CB-CD1 3.43Å; H125-L201 HydrophobicContact CB-CD2 4.5Å; V134-L201 HydrophobicContact CB-CD2 3.94Å; V134-L201 HydrophobicContact CG1-CD2 4.25Å; V134-L201 HydrophobicContact CG2-CD2 3.78Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 3.35Å; L201-I204 PolarHBondContact O-N 3.1Å; L201-I205 HydrophobicContact CD1-CD1 3.87Å; L201-I205 HydrophobicContact CD1-CG1 4.06Å; L201-I205 HydrophobicContact CD2-CD1 4.47Å; L201-I205 HydrophobicContact CG-CD1 3.79Å; L201-I205 HydrophobicContact CG-CG1 4.44Å; L201-I205 WeakPolarHBondContact O-CG1 3.47Å; L201-I205 PolarHBondContact O-N 3.29Å |
| 202 | T | 95.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.1 | -47.3 | 175.9 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | L69 I83 F85 I198 G200 I205 I206 | L69-T202 HydrophobicContact CD2-CG2 4Å; I83-T202 PolarHBondContact O-OG1 3.09Å; F85-T202 HydrophobicContact CD2-CG2 3.9Å; F85-T202 HydrophobicContact CE2-CG2 3.76Å; F85-T202 HydrophobicContact CZ-CG2 4.33Å; I198-T202 HydrophobicContact CG2-CG2 3.56Å; G200-T202 VanDerWaalsContact C-N 3.29Å; G200-T202 PolarHBondContact O-N 3.43Å; T202-I205 PolarHBondContact O-N 2.81Å; T202-I206 HydrophobicContact CG2-CD1 4.32Å; T202-I206 WeakPolarHBondContact O-CG1 3.25Å; T202-I206 PolarHBondContact O-N 3.47Å |
| 203 | A | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.8 | -34.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P188 Y190 I198 G200 L201 I206 H207 | P188-A203 HydrophobicContact CB-CB 4.39Å; P188-A203 HydrophobicContact CG-CB 4.05Å; P188-A203 WeakPolarHBondContact CG-O 3.17Å; P188-A203 WeakPolarHBondContact O-CB 3.31Å; Y190-A203 HydrophobicContact CD2-CB 4.01Å; Y190-A203 HydrophobicContact CE2-CB 4.04Å; I198-A203 HydrophobicContact CG2-CB 4.34Å; G200-A203 PolarHBondContact O-N 3.2Å; G200-A203 VanDerWaalsContact O-N 3.08Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 3.35Å; A203-I206 PolarHBondContact O-N 3.2Å; A203-H207 WeakPolarHBondContact O-CB 3.38Å; A203-H207 PolarHBondContact O-N 3.04Å |
| 204 | I | 92.1 | Very high | 93.3 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 13% | 0.133 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 174.2 | -65.1 | 169.4 | 0 | 0 | 0 | 110.1 | L187 P188 G200 L201 H207 R208 | L187-I204 HydrophobicContact CD1-CD1 4.03Å; L187-I204 HydrophobicContact CD2-CD1 3.7Å; L187-I204 HydrophobicContact CD2-CG1 4.01Å; L187-I204 HydrophobicContact CG-CD1 4.44Å; P188-I204 HydrophobicContact CG-CG1 4.39Å; G200-I204 WeakPolarHBondContact O-CG1 3.25Å; G200-I204 PolarHBondContact O-N 2.92Å; G200-I204 VanDerWaalsContact O-N 3.1Å; L201-I204 PolarHBondContact O-N 3.1Å; I204-H207 WeakPolarHBondContact O-CB 3.12Å; I204-H207 PolarHBondContact O-N 3.22Å; I204-R208 WeakPolarHBondContact O-CG 3.44Å; I204-R208 PolarHBondContact O-N 3.09Å |
| 205 | I | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 178.9 | -66.4 | 164 | 0 | 0 | 0 | 110.2 | V54 V56 F85 P136 L201 T202 H207 R208 V209 | V54-I205 HydrophobicContact CG2-CD1 4.11Å; V56-I205 HydrophobicContact CG2-CG2 3.47Å; V56-I205 VanDerWaalsContact CG2-CG2 3.47Å; F85-I205 HydrophobicContact CD2-CD1 4.29Å; F85-I205 HydrophobicContact CD2-CG2 4.27Å; F85-I205 HydrophobicContact CE2-CB 3.77Å; F85-I205 HydrophobicContact CE2-CD1 4.38Å; F85-I205 HydrophobicContact CE2-CG2 3.55Å; F85-I205 HydrophobicContact CZ-CG2 4.06Å; P136-I205 HydrophobicContact CB-CD1 3.98Å; P136-I205 HydrophobicContact CB-CG1 4.21Å; P136-I205 HydrophobicContact CB-CG2 4.05Å; P136-I205 HydrophobicContact CG-CD1 3.69Å; P136-I205 HydrophobicContact CG-CG1 3.83Å; L201-I205 HydrophobicContact CD1-CD1 3.87Å; L201-I205 HydrophobicContact CD1-CG1 4.06Å; L201-I205 HydrophobicContact CD2-CD1 4.47Å; L201-I205 HydrophobicContact CG-CD1 3.79Å; L201-I205 HydrophobicContact CG-CG1 4.44Å; L201-I205 WeakPolarHBondContact O-CG1 3.47Å; L201-I205 PolarHBondContact O-N 3.29Å; T202-I205 PolarHBondContact O-N 2.81Å; I205-H207 VanDerWaalsContact C-N 3.31Å; I205-H207 PolarHBondContact O-N 2.91Å; I205-R208 PolarHBondContact O-N 3.2Å; I205-V209 HydrophobicContact CG2-CG2 4.34Å; I205-V209 VanDerWaalsContact O-CG2 3.32Å; I205-V209 WeakPolarHBondContact O-CG2 3.32Å; I205-V209 PolarHBondContact O-N 3.29Å |
| 206 | I | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.9 | -45.7 | 174.1 | -70.5 | 175.5 | 0 | 0 | 0 | 110.8 | I67 L69 F85 L168 Y190 I198 T202 A203 R208 V209 L210 | I67-I206 HydrophobicContact CD1-CG1 4.35Å; I67-I206 HydrophobicContact CD1-CG2 4.36Å; L69-I206 HydrophobicContact CD1-CD1 4.34Å; F85-I206 HydrophobicContact CE2-CG1 4.17Å; F85-I206 HydrophobicContact CZ-CD1 4.29Å; F85-I206 HydrophobicContact CZ-CG1 3.57Å; L168-I206 HydrophobicContact CD1-CG2 3.94Å; L168-I206 HydrophobicContact CD2-CG2 4.38Å; Y190-I206 HydrophobicContact CD2-CB 4.48Å; Y190-I206 HydrophobicContact CD2-CD1 4.49Å; Y190-I206 HydrophobicContact CD2-CG2 4.13Å; Y190-I206 HydrophobicContact CE1-CG2 4.31Å; Y190-I206 HydrophobicContact CE2-CB 3.8Å; Y190-I206 HydrophobicContact CE2-CG2 3.46Å; Y190-I206 VanDerWaalsContact CE2-CG2 3.46Å; I198-I206 HydrophobicContact CD1-CD1 4.05Å; I198-I206 HydrophobicContact CG2-CD1 3.88Å; T202-I206 HydrophobicContact CG2-CD1 4.32Å; T202-I206 WeakPolarHBondContact O-CG1 3.25Å; T202-I206 PolarHBondContact O-N 3.47Å; A203-I206 PolarHBondContact O-N 3.2Å; I206-R208 PolarHBondContact O-N 3.36Å; I206-V209 PolarHBondContact O-N 3.08Å; I206-L210 HydrophobicContact CG2-CD1 3.55Å; I206-L210 HydrophobicContact CG2-CG 3.96Å; I206-L210 WeakPolarHBondContact O-CB 3.02Å; I206-L210 VanDerWaalsContact O-CG 3.27Å; I206-L210 WeakPolarHBondContact O-CG 3.48Å; I206-L210 PolarHBondContact O-N 3.04Å |
| 207 | H | 93.9 | Very high | 93 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 11% | 0.106 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 177.9 | 173.5 | 77.4 | 0 | 0 | 0 | 111.9 | P188 Y190 A203 I204 I205 V209 L210 C211 Y218 S220 | P188-H207 HydrophobicContact CB-CB 4.29Å; P188-H207 HydrophobicContact CG-CB 3.91Å; Y190-H207 VanDerWaalsContact OH-CA 3.3Å; Y190-H207 WeakPolarHBondContact OH-CA 3.42Å; Y190-H207 PolarHBondContact OH-N 3.22Å; A203-H207 WeakPolarHBondContact O-CB 3.38Å; A203-H207 PolarHBondContact O-N 3.04Å; I204-H207 WeakPolarHBondContact O-CB 3.12Å; I204-H207 PolarHBondContact O-N 3.22Å; I205-H207 VanDerWaalsContact C-N 3.31Å; I205-H207 PolarHBondContact O-N 2.91Å; H207-V209 VanDerWaalsContact C-N 3.33Å; H207-V209 PolarHBondContact O-N 2.96Å; H207-L210 PolarHBondContact O-N 2.69Å; H207-C211 WeakPolarHBondContact O-CB 3.35Å; H207-C211 PolarHBondContact O-N 2.85Å; H207-C211 PolarHBondContact O-SG 2.78Å; H207-Y218 AromaticContact CE1-CE1 3.88Å; H207-Y218 AromaticContact ND1-CE1 3.44Å; H207-Y218 WeakPolarHBondContact ND1-CE1 3.23Å; H207-Y218 AromaticContact ND1-CZ 3.59Å; H207-Y218 PolarHBondContact ND1-OH 3.16Å; H207-S220 PolarHBondContact CE1-OG 2.85Å; H207-S220 VanDerWaalsContact CE1-OG 3.28Å; H207-S220 PolarHBondContact ND1-OG 2.98Å |
| 208 | R | 93.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 176.6 | -72.6 | -175.8 | 66.2 | 171.4 | 7.9 | 112.1 | Q37 S123 H125 I204 I205 I206 A212 | Q37-R208 PolarHBondContact NE2-O 3.41Å; S123-R208 PolarHBondContact OG-NH1 3.38Å; S123-R208 PolarHBondContact OG-NH2 3.43Å; H125-R208 PolarHBondContact CE1-NH1 3.07Å; H125-R208 PolarHBondContact NE2-NH1 2.87Å; I204-R208 WeakPolarHBondContact O-CG 3.44Å; I204-R208 PolarHBondContact O-N 3.09Å; I205-R208 PolarHBondContact O-N 3.2Å; I206-R208 PolarHBondContact O-N 3.36Å; R208-A212 PolarHBondContact O-N 2.91Å |
| 209 | V | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.3 | -43.3 | 180 | 173 | 0 | 0 | 0 | 0 | 111.1 | L34 V56 L58 L122 V138 I205 I206 H207 A212 L213 | L34-V209 HydrophobicContact CD2-CG2 4.41Å; V56-V209 HydrophobicContact CG1-CG1 4.43Å; V56-V209 HydrophobicContact CG1-CG2 4.25Å; L58-V209 HydrophobicContact CD2-CG1 4.41Å; L122-V209 HydrophobicContact CD2-CG2 4.47Å; V138-V209 HydrophobicContact CG2-CG2 3.72Å; I205-V209 HydrophobicContact CG2-CG2 4.34Å; I205-V209 VanDerWaalsContact O-CG2 3.32Å; I205-V209 WeakPolarHBondContact O-CG2 3.32Å; I205-V209 PolarHBondContact O-N 3.29Å; I206-V209 PolarHBondContact O-N 3.08Å; H207-V209 VanDerWaalsContact C-N 3.33Å; H207-V209 PolarHBondContact O-N 2.96Å; V209-A212 CarbonylContact O-C 3.56Å; V209-A212 PolarHBondContact O-N 3.25Å; V209-L213 HydrophobicContact CG1-CB 4.43Å; V209-L213 WeakPolarHBondContact O-CB 3.18Å; V209-L213 PolarHBondContact O-N 3.24Å |
| 210 | L | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 178.8 | -68 | 175.3 | 0 | 0 | 0 | 112.9 | V165 L168 Y190 I206 H207 A212 L213 V214 Y218 | V165-L210 HydrophobicContact CG1-CD2 3.89Å; L168-L210 HydrophobicContact CB-CD1 3.62Å; L168-L210 HydrophobicContact CD1-CD1 4.22Å; L168-L210 HydrophobicContact CD1-CD2 4.46Å; L168-L210 HydrophobicContact CG-CD1 4.47Å; Y190-L210 HydrophobicContact CE1-CD1 4.08Å; I206-L210 HydrophobicContact CG2-CD1 3.55Å; I206-L210 HydrophobicContact CG2-CG 3.96Å; I206-L210 WeakPolarHBondContact O-CB 3.02Å; I206-L210 VanDerWaalsContact O-CG 3.27Å; I206-L210 WeakPolarHBondContact O-CG 3.48Å; I206-L210 PolarHBondContact O-N 3.04Å; H207-L210 PolarHBondContact O-N 2.69Å; L210-A212 PolarHBondContact O-N 2.88Å; L210-L213 PolarHBondContact O-N 3.14Å; L210-V214 HydrophobicContact CB-CG2 4.46Å; L210-V214 HydrophobicContact CD2-CG2 4.03Å; L210-V214 CarbonylContact O-C 3.56Å; L210-V214 WeakPolarHBondContact O-CG2 3.46Å; L210-V214 PolarHBondContact O-N 3.46Å; L210-Y218 HydrophobicContact CB-CD1 3.64Å; L210-Y218 HydrophobicContact CB-CD2 3.86Å; L210-Y218 HydrophobicContact CB-CE1 3.98Å; L210-Y218 HydrophobicContact CB-CE2 4.2Å; L210-Y218 HydrophobicContact CB-CG 3.58Å; L210-Y218 HydrophobicContact CD1-CD2 3.71Å; L210-Y218 HydrophobicContact CD1-CE2 3.63Å; L210-Y218 HydrophobicContact CD1-CG 4.32Å; L210-Y218 HydrophobicContact CG-CD2 4.38Å |
| 211 | C | 92.8 | Very high | 92 | Very high | 41 Ų | 41 | 27.5 Ų | 27.5 | 28% | 0.277 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -56.1 | -38.4 | 172.3 | -77.3 | 0 | 0 | 0 | 0 | 111.8 | H207 P215 | H207-C211 WeakPolarHBondContact O-CB 3.35Å; H207-C211 PolarHBondContact O-N 2.85Å; H207-C211 PolarHBondContact O-SG 2.78Å; C211-P215 WeakPolarHBondContact O-CB 3.42Å |
| 212 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -83.3 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R29 T30 C33 L34 R208 V209 L210 | R29-A212 PolarHBondContact NH1-O 2.86Å; R29-A212 PolarHBondContact NH2-O 3.33Å; T30-A212 HydrophobicContact CG2-CB 4.03Å; T30-A212 PolarHBondContact OG1-O 2.7Å; C33-A212 HydrophobicContact CB-CB 3.88Å; L34-A212 HydrophobicContact CD2-CB 3.63Å; L34-A212 HydrophobicContact CG-CB 3.67Å; R208-A212 PolarHBondContact O-N 2.91Å; V209-A212 CarbonylContact O-C 3.56Å; V209-A212 PolarHBondContact O-N 3.25Å; L210-A212 PolarHBondContact O-N 2.88Å |
| 213 | L | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -75 | -38.2 | -170.3 | -177 | 67.8 | 0 | 0 | 0 | 112.8 | V21 F22 N26 R29 T30 L58 W119 V165 V209 L210 | V21-L213 HydrophobicContact CG1-CD1 4.29Å; V21-L213 HydrophobicContact CG1-CD2 4.18Å; V21-L213 HydrophobicContact CG1-CG 4.15Å; F22-L213 HydrophobicContact CD1-CD1 4.14Å; F22-L213 HydrophobicContact CE1-CD1 4.07Å; F22-L213 HydrophobicContact CE1-CD2 3.94Å; N26-L213 PolarHBondContact ND2-O 3.13Å; R29-L213 PolarHBondContact NH2-O 3.21Å; T30-L213 HydrophobicContact CG2-CB 4.28Å; T30-L213 HydrophobicContact CG2-CD1 4.19Å; L58-L213 HydrophobicContact CD1-CD1 4.35Å; L58-L213 HydrophobicContact CD2-CD2 4.23Å; W119-L213 HydrophobicContact CH2-CD1 4.31Å; W119-L213 HydrophobicContact CZ3-CD1 3.79Å; V165-L213 HydrophobicContact CG1-CD2 4.41Å; V165-L213 HydrophobicContact CG2-CD2 4.24Å; V209-L213 HydrophobicContact CG1-CB 4.43Å; V209-L213 WeakPolarHBondContact O-CB 3.18Å; V209-L213 PolarHBondContact O-N 3.24Å; L210-L213 PolarHBondContact O-N 3.14Å |
| 214 | V | 93.3 | Very high | 88.1 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 10% | 0.097 | 18% | 0.183 | C | C | . | . | trans | -142.9 | 56.2 | -174 | -74.8 | 0 | 0 | 0 | 0 | 112 | V21 V165 L210 H216 A217 Y218 | V21-V214 HydrophobicContact CG1-CG1 4.18Å; V165-V214 HydrophobicContact CG1-CG1 4.18Å; V165-V214 HydrophobicContact CG1-CG2 4.03Å; L210-V214 HydrophobicContact CB-CG2 4.46Å; L210-V214 HydrophobicContact CD2-CG2 4.03Å; L210-V214 CarbonylContact O-C 3.56Å; L210-V214 WeakPolarHBondContact O-CG2 3.46Å; L210-V214 PolarHBondContact O-N 3.46Å; V214-H216 PolarHBondContact O-N 3.16Å; V214-A217 HydrophobicContact CB-CB 4.32Å; V214-A217 PolarHBondContact O-N 3.21Å; V214-Y218 PolarHBondContact O-N 3.38Å | ||
| 215 | P | 89.8 | Confident | 86 | Confident | 42 Ų | 42 | 38 Ų | 38 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.1 | -171.7 | 25.5 | -37.1 | 0 | 0 | 0 | 114.5 | R29 C211 K219 | R29-P215 VanDerWaalsContact NH2-CD 3.25Å; C211-P215 WeakPolarHBondContact O-CB 3.42Å; P215-K219 PolarHBondContact O-NZ 3.38Å |
| 216 | H | 86.6 | Confident | 84 | Confident | 116 Ų | 116 | 40.1 Ų | 40.1 | 54% | 0.537 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -33.3 | 179.3 | -57.5 | -60 | 0 | 0 | 0 | 112.4 | V214 K219 | V214-H216 PolarHBondContact O-N 3.16Å; H216-K219 VanDerWaalsContact O-CE 3.24Å; H216-K219 WeakPolarHBondContact O-CE 3.41Å; H216-K219 PolarHBondContact O-NZ 3.08Å |
| 217 | A | 89.3 | Confident | 82 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -38 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V214 K219 | V214-A217 HydrophobicContact CB-CB 4.32Å; V214-A217 PolarHBondContact O-N 3.21Å; A217-K219 PolarHBondContact O-N 2.91Å; A217-K219 VanDerWaalsContact O-N 3.1Å |
| 218 | Y | 91.8 | Very high | 79.7 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | trans | -78.5 | 98.3 | 179.3 | -176.9 | -114 | 0 | 0 | 0 | 110.8 | Y190 H207 L210 V214 S220 | Y190-Y218 HydrophobicContact CE1-CE2 4.12Å; Y190-Y218 PolarHBondContact OH-OH 3.34Å; H207-Y218 AromaticContact CE1-CE1 3.88Å; H207-Y218 AromaticContact ND1-CE1 3.44Å; H207-Y218 WeakPolarHBondContact ND1-CE1 3.23Å; H207-Y218 AromaticContact ND1-CZ 3.59Å; H207-Y218 PolarHBondContact ND1-OH 3.16Å; L210-Y218 HydrophobicContact CB-CD1 3.64Å; L210-Y218 HydrophobicContact CB-CD2 3.86Å; L210-Y218 HydrophobicContact CB-CE1 3.98Å; L210-Y218 HydrophobicContact CB-CE2 4.2Å; L210-Y218 HydrophobicContact CB-CG 3.58Å; L210-Y218 HydrophobicContact CD1-CD2 3.71Å; L210-Y218 HydrophobicContact CD1-CE2 3.63Å; L210-Y218 HydrophobicContact CD1-CG 4.32Å; L210-Y218 HydrophobicContact CG-CD2 4.38Å; V214-Y218 PolarHBondContact O-N 3.38Å; Y218-S220 PolarHBondContact OH-OG 3.29Å | ||
| 219 | K | 89.3 | Confident | 76.8 | Confident | 136 Ų | 136 | 56.3 Ų | 56.3 | 59% | 0.591 | 29% | 0.29 | S | S | * | . | trans | -99.4 | 96.6 | 169.9 | -57.8 | -53.6 | -179.8 | -164 | 0 | 108.4 | Q174 P215 H216 A217 I221 | Q174-K219 PolarHBondContact NE2-O 3.07Å; Q174-K219 PolarHBondContact OE1-O 2.7Å; P215-K219 PolarHBondContact O-NZ 3.38Å; H216-K219 VanDerWaalsContact O-CE 3.24Å; H216-K219 WeakPolarHBondContact O-CE 3.41Å; H216-K219 PolarHBondContact O-NZ 3.08Å; A217-K219 PolarHBondContact O-N 2.91Å; A217-K219 VanDerWaalsContact O-N 3.1Å; K219-I221 PolarHBondContact O-N 3.24Å | ||
| 220 | S | 84.7 | Confident | 74 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | trans | -62 | 131.9 | 177.9 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | Q174 H207 Y218 L222 | Q174-S220 VanDerWaalsContact OE1-CA 3.32Å; H207-S220 PolarHBondContact CE1-OG 2.85Å; H207-S220 VanDerWaalsContact CE1-OG 3.28Å; H207-S220 PolarHBondContact ND1-OG 2.98Å; Y218-S220 PolarHBondContact OH-OG 3.29Å; S220-L222 PolarHBondContact O-N 3.3Å; S220-L222 WeakPolarHBondContact OG-CB 3.2Å; S220-L222 PolarHBondContact OG-N 3.38Å | ||
| 221 | I | 84.4 | Confident | 72.9 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -73.2 | -10.9 | 170.8 | 68.1 | 168.4 | 0 | 0 | 0 | 112.7 | K171 Q174 Y176 K219 T223 | K171-I221 HydrophobicContact CG-CG2 3.85Å; Q174-I221 VanDerWaalsContact C-CD1 3.48Å; Q174-I221 HydrophobicContact CB-CD1 3.92Å; Q174-I221 HydrophobicContact CB-CG1 3.95Å; Q174-I221 HydrophobicContact CB-CG2 4.1Å; Q174-I221 VanDerWaalsContact O-CD1 3.31Å; Q174-I221 WeakPolarHBondContact O-CD1 3.31Å; Y176-I221 HydrophobicContact CD1-CD1 3.82Å; Y176-I221 HydrophobicContact CD1-CG1 4.28Å; Y176-I221 HydrophobicContact CE1-CD1 4.35Å; K219-I221 PolarHBondContact O-N 3.24Å; I221-T223 PolarHBondContact O-N 3.22Å; I221-T223 VanDerWaalsContact O-N 3.08Å |
| 222 | L | 76 | Confident | 71.9 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | trans | -71.2 | 99.6 | 170.4 | -64 | 174.9 | 0 | 0 | 0 | 108.2 | Y176 T186 P188 S220 | Y176-L222 HydrophobicContact CG-CD2 4.26Å; T186-L222 HydrophobicContact CG2-CD2 3.6Å; P188-L222 HydrophobicContact CB-CD1 3.82Å; P188-L222 HydrophobicContact CG-CD1 4.21Å; S220-L222 PolarHBondContact O-N 3.3Å; S220-L222 WeakPolarHBondContact OG-CB 3.2Å; S220-L222 PolarHBondContact OG-N 3.38Å | ||
| 223 | T | 63 | Low | 70.6 | Confident | 59 Ų | 59 | 69.4 Ų | 69.4 | 36% | 0.362 | 36% | 0.36 | S | S | . | . | trans | -63.3 | 155 | 171.9 | 65.2 | 0 | 0 | 0 | 0 | 109.6 | I221 D225 L226 R227 | I221-T223 PolarHBondContact O-N 3.22Å; I221-T223 VanDerWaalsContact O-N 3.08Å; T223-D225 WeakPolarHBondContact CB-OD2 3.4Å; T223-D225 PolarHBondContact O-N 3.29Å; T223-D225 VanDerWaalsContact O-N 3.09Å; T223-D225 PolarHBondContact OG1-OD2 3.42Å; T223-L226 WeakPolarHBondContact O-CA 2.86Å; T223-L226 WeakPolarHBondContact O-CB 3.27Å; T223-L226 PolarHBondContact O-N 3.08Å; T223-R227 PolarHBondContact O-N 2.85Å | ||
| 224 | P | 58.7 | Low | 69.2 | Low | 95 Ų | 95 | 73.5 Ų | 73.5 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -49.4 | -33.4 | 172.2 | -27.9 | 36.3 | 0 | 0 | 0 | 113 | L226 R227 | P224-L226 PolarHBondContact O-N 3.14Å; P224-R227 PolarHBondContact O-N 2.79Å |
| 225 | D | 47.6 | Very low | 67.7 | Low | 134 Ų | 134 | 77.1 Ų | 77.1 | 72% | 0.717 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -67.4 | -24.3 | 178.5 | -33.4 | -60.8 | 0 | 0 | 0 | 113.2 | T223 | T223-D225 WeakPolarHBondContact CB-OD2 3.4Å; T223-D225 PolarHBondContact O-N 3.29Å; T223-D225 VanDerWaalsContact O-N 3.09Å; T223-D225 PolarHBondContact OG1-OD2 3.42Å |
| 226 | L | 52.2 | Low | 66.2 | Low | 46 Ų | 46 | 79.5 Ų | 79.5 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -94.5 | -11.3 | 176.6 | -69.1 | 168 | 0 | 0 | 0 | 112.5 | Y176 T186 T223 P224 | Y176-L226 HydrophobicContact CE1-CD1 4.44Å; T186-L226 VanDerWaalsContact CB-O 3.25Å; T186-L226 WeakPolarHBondContact CB-O 3.34Å; T186-L226 HydrophobicContact CG2-CB 4.39Å; T186-L226 HydrophobicContact CG2-CD2 4.48Å; T223-L226 WeakPolarHBondContact O-CA 2.86Å; T223-L226 WeakPolarHBondContact O-CB 3.27Å; T223-L226 PolarHBondContact O-N 3.08Å; P224-L226 PolarHBondContact O-N 3.14Å |
| 227 | R | 54.5 | Low | 64.8 | Low | 137 Ų | 137 | 76.9 Ų | 76.9 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -64.5 | 144.2 | 179.4 | -68.4 | -179.5 | -174.9 | -178.2 | -1 | 109.1 | T223 P224 K229 | T223-R227 PolarHBondContact O-N 2.85Å; P224-R227 PolarHBondContact O-N 2.79Å; R227-K229 PolarHBondContact O-N 2.91Å |
| 228 | M | 45.8 | Very low | 62.9 | Low | 68 Ų | 68 | 80.1 Ų | 80.1 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | trans | -40.4 | 108.4 | 175.9 | -60.9 | 176.1 | 58.8 | 0 | 0 | 109.4 | Y40 L187 V230 | Y40-M228 HydrophobicContact CD1-SD 4.46Å; L187-M228 HydrophobicContact CD2-CG 4.27Å; L187-M228 HydrophobicContact CD2-SD 3.98Å; M228-V230 HydrophobicContact CB-CG2 3.79Å; M228-V230 HydrophobicContact CE-CG2 3.65Å; M228-V230 PolarHBondContact O-N 3.23Å | ||
| 229 | K | 33.8 | Very low | 60.5 | Low | 162 Ų | 162 | 85.8 Ų | 85.8 | 70% | 0.704 | 44% | 0.436 | S | S | * | . | trans | -73.1 | 80.1 | 160.6 | -72.4 | -173.6 | 179.5 | -179.1 | 0 | 105 | R227 | R227-K229 PolarHBondContact O-N 2.91Š| ||
| 230 | V | 35.9 | Very low | 57.9 | Low | 109 Ų | 109 | 81.3 Ų | 81.3 | 66% | 0.661 | 42% | 0.422 | S | S | * | . | trans | -77.7 | 0 | 162.4 | -173.9 | 0 | 0 | 0 | 0 | 107 | P42 M228 | P42-V230 HydrophobicContact CB-CG1 3.64Å; P42-V230 HydrophobicContact CG-CG1 3.67Å; M228-V230 HydrophobicContact CB-CG2 3.79Å; M228-V230 HydrophobicContact CE-CG2 3.65Å; M228-V230 PolarHBondContact O-N 3.23Å |
Retrieved 230 of 230 residues in 461.5 ms
(Link to these results)