| 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 | 28.8 | Very low | 27.5 | Very low | 235 Ų | 235 | 159.3 Ų | 159.3 | 100% | 1.158 | 85% | 0.85 | S | S | * | * | 0 | 94.1 | 0 | -59.2 | -110.6 | -144.7 | 0 | 0 | 105.3 | |||||
| 2 | S | 28.2 | Very low | 27.6 | Very low | 93 Ų | 93 | 156.2 Ų | 156.2 | 65% | 0.65 | 85% | 0.85 | S | S | * | * | 93 | 100.3 | 72.9 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 3 | S | 24.4 | Very low | 27.7 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | 77.7 | 143.4 | 67.8 | 72.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 4 | A | 26.9 | Very low | 27.8 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | 74.4 | 95.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 5 | L | 30.8 | Very low | 28.4 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 96% | 0.958 | 83% | 0.829 | S | S | * | * | -137.1 | 148.3 | 118.6 | -105.9 | 165.1 | 0 | 0 | 0 | 107.8 | |||||
| 6 | W | 29.3 | Very low | 28.9 | Very low | 239 Ų | 239 | 151.9 Ų | 151.9 | 91% | 0.905 | 83% | 0.833 | S | S | * | * | trans | -109.7 | 143.6 | -162 | -109.1 | 16.5 | 0 | 0 | 0 | 113.5 | ||||
| 7 | S | 26.8 | Very low | 29.9 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | trans | 34.5 | 99.1 | 141.4 | -53.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 8 | Q | 25.6 | Very low | 31.2 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | -163.1 | 84 | 124.6 | -116.3 | -176.7 | 73.7 | 0 | 0 | 112.6 | |||||
| 9 | E | 27.6 | Very low | 33.2 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -114.6 | 123.2 | 157.9 | -70.4 | -164.7 | 132.5 | 0 | 0 | 108.9 | ||||
| 10 | K | 24.9 | Very low | 35.7 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -77.7 | 134.3 | 171 | -66.2 | 178 | 179.9 | 177.4 | 0 | 107.8 | S12 | K10-S12 PolarHBondContact O-N 2.93Š| ||
| 11 | P | 29.2 | Very low | 38.2 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -60 | 130.4 | 169.5 | 26.3 | -33.1 | 0 | 0 | 0 | 109.3 | G13 | P11-G13 PolarHBondContact O-N 2.99Å; P11-G13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | S | 28.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 67% | 0.67 | S | S | * | * | trans | -65 | 111.7 | 175.5 | 29.6 | 0 | 0 | 0 | 0 | 109.5 | K10 G14 | K10-S12 PolarHBondContact O-N 2.93Å; S12-G14 PolarHBondContact O-N 3.39Å | ||
| 13 | G | 28.4 | Very low | 44.1 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 76% | 0.763 | 64% | 0.639 | S | S | * | * | trans | -65.2 | 102.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P11 | P11-G13 PolarHBondContact O-N 2.99Å; P11-G13 VanDerWaalsContact O-N 3.16Å | ||
| 14 | G | 29 | Very low | 47.2 | Very low | 65 Ų | 65 | 115.9 Ų | 115.9 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | trans | -62.9 | 151.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111 | S12 R16 | S12-G14 PolarHBondContact O-N 3.39Å; G14-R16 PolarHBondContact O-N 3.06Å | ||
| 15 | F | 36.8 | Very low | 50.2 | Low | 183 Ų | 183 | 113.1 Ų | 113.1 | 80% | 0.803 | 58% | 0.575 | S | S | * | * | trans | -65.1 | 98.1 | -173.8 | -85.9 | -126.1 | 0 | 0 | 0 | 112.1 | E17 | F15-E17 HydrophobicContact CB-CG 4.43Å; F15-E17 HydrophobicContact CD1-CG 3.93Å; F15-E17 PolarHBondContact O-N 3.11Å; F15-E17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | R | 37.4 | Very low | 52.8 | Low | 235 Ų | 235 | 110.1 Ų | 110.1 | 89% | 0.887 | 55% | 0.554 | S | S | * | * | trans | -76.7 | 71.9 | 154.2 | -82 | -173 | 163.4 | -144.3 | -6.3 | 109.1 | G14 | G14-R16 PolarHBondContact O-N 3.06Š| ||
| 17 | E | 44.9 | Very low | 55.4 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | trans | -65.8 | 147.3 | 160.5 | -72 | -178.3 | 156.4 | 0 | 0 | 108.7 | F15 W19 R52 | F15-E17 HydrophobicContact CB-CG 4.43Å; F15-E17 HydrophobicContact CD1-CG 3.93Å; F15-E17 PolarHBondContact O-N 3.11Å; F15-E17 VanDerWaalsContact O-N 3.14Å; E17-W19 PolarHBondContact O-N 3.32Å; E17-R52 IonicContact OE1-NH2 3.62Å; E17-R52 PolarHBondContact OE1-NH2 3.34Å; E17-R52 IonicContact OE2-NH2 2.74Å | ||
| 18 | D | 54.3 | Low | 57.9 | Low | 90 Ų | 90 | 98.6 Ų | 98.6 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | trans | -53.2 | 116.5 | -160.3 | -73.9 | -102 | 0 | 0 | 0 | 115.7 | R20 | D18-R20 HydrophobicContact CB-CG 4.07Å; D18-R20 PolarHBondContact O-N 3.1Å; D18-R20 IonicContact OD1-CZ 2.79Å; D18-R20 IonicContact OD1-NE 2.75Å; D18-R20 PolarHBondContact OD1-NE 3.19Å; D18-R20 IonicContact OD1-NH2 2.63Å; D18-R20 PolarHBondContact OD1-NH2 3.48Å; D18-R20 VanDerWaalsContact OD1-NH2 3.13Å | ||
| 19 | W | 67.8 | Low | 60.3 | Low | 132 Ų | 132 | 94.6 Ų | 94.6 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | trans | -76.3 | 54.4 | 167 | -75.6 | 62.1 | 0 | 0 | 0 | 111.2 | E17 F21 A153 L154 | E17-W19 PolarHBondContact O-N 3.32Å; W19-F21 HydrophobicContact CE3-CE2 4.28Å; W19-F21 AromaticContact CE3-CZ 3.97Å; W19-F21 HydrophobicContact CE3-CZ 3.97Å; W19-A153 VanDerWaalsContact CH2-O 3.22Å; W19-A153 WeakPolarHBondContact CH2-O 3.22Å; W19-L154 HydrophobicContact CZ3-CD2 4.23Å | ||
| 20 | R | 83.1 | Confident | 62.2 | Low | 113 Ų | 113 | 87.2 Ų | 87.2 | 43% | 0.426 | 46% | 0.458 | S | S | . | . | trans | -102.5 | 123.5 | 175.5 | -65.2 | 173.5 | -162.6 | -108.4 | 1.7 | 110.1 | D18 Y22 A48 E87 | D18-R20 HydrophobicContact CB-CG 4.07Å; D18-R20 PolarHBondContact O-N 3.1Å; D18-R20 IonicContact OD1-CZ 2.79Å; D18-R20 IonicContact OD1-NE 2.75Å; D18-R20 PolarHBondContact OD1-NE 3.19Å; D18-R20 IonicContact OD1-NH2 2.63Å; D18-R20 PolarHBondContact OD1-NH2 3.48Å; D18-R20 VanDerWaalsContact OD1-NH2 3.13Å; R20-Y22 HydrophobicContact CB-CE2 3.64Å; R20-A48 HydrophobicContact CB-CB 4.12Å; R20-A48 PolarHBondContact O-N 3.3Å; R20-E87 WeakPolarHBondContact CD-OE1 3.5Å; R20-E87 IonicContact CZ-OE1 3.56Å; R20-E87 IonicContact NH1-OE1 3.25Å; R20-E87 PolarHBondContact NH1-OE1 3.21Å | ||
| 21 | F | 88.3 | Confident | 63.9 | Low | 6 Ų | 6 | 85.9 Ų | 85.9 | 3% | 0.026 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 149.7 | 176.4 | -57.2 | -68.6 | 0 | 0 | 0 | 110.1 | W19 G46 Q47 L71 L88 A93 F97 L154 | W19-F21 HydrophobicContact CE3-CE2 4.28Å; W19-F21 AromaticContact CE3-CZ 3.97Å; W19-F21 HydrophobicContact CE3-CZ 3.97Å; F21-G46 CarbonylContact C-O 3.5Å; F21-G46 WeakPolarHBondContact CA-O 3.44Å; F21-Q47 HydrophobicContact CD1-CB 4.37Å; F21-Q47 HydrophobicContact CE1-CB 4.35Å; F21-Q47 HydrophobicContact CE1-CG 4.22Å; F21-L71 HydrophobicContact CD1-CD1 4.09Å; F21-L71 HydrophobicContact CE1-CD1 4.31Å; F21-L88 HydrophobicContact CB-CB 4.31Å; F21-L88 PolarHBondContact O-N 3.08Å; F21-A93 HydrophobicContact CB-CB 3.67Å; F21-A93 HydrophobicContact CD2-CB 3.53Å; F21-A93 HydrophobicContact CE2-CB 4.4Å; F21-A93 HydrophobicContact CG-CB 3.7Å; F21-F97 HydrophobicContact CD1-CE2 4.1Å; F21-F97 AromaticContact CD1-CZ 3.72Å; F21-F97 HydrophobicContact CD1-CZ 3.72Å; F21-F97 HydrophobicContact CE1-CE2 4.02Å; F21-F97 AromaticContact CE1-CZ 3.73Å; F21-F97 HydrophobicContact CE1-CZ 3.73Å; F21-F97 HydrophobicContact CE2-CE2 4.47Å; F21-F97 HydrophobicContact CG-CE2 4.37Å; F21-F97 HydrophobicContact CG-CZ 4.36Å; F21-F97 HydrophobicContact CZ-CE2 4.21Å; F21-F97 HydrophobicContact CZ-CZ 4.37Å; F21-L154 HydrophobicContact CE1-CD2 3.53Å; F21-L154 HydrophobicContact CZ-CD2 3.49Å; F21-L154 VanDerWaalsContact CZ-CD2 3.49Å |
| 22 | Y | 90.3 | Very high | 65.1 | Low | 7 Ų | 7 | 83.9 Ų | 83.9 | 3% | 0.027 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.3 | -179.4 | -66.2 | -99.5 | 0 | 0 | 0 | 109.1 | R20 L45 G46 A48 R66 L68 V85 L86 E87 | R20-Y22 HydrophobicContact CB-CE2 3.64Å; Y22-L45 CarbonylContact O-C 3.5Å; Y22-L45 WeakPolarHBondContact O-CA 3.44Å; Y22-G46 PolarHBondContact N-O 3.13Å; Y22-G46 PolarHBondContact O-N 2.77Å; Y22-A48 HydrophobicContact CE2-CB 3.98Å; Y22-R66 HydrophobicContact CE1-CG 4.32Å; Y22-R66 PolarHBondContact OH-NE 3.27Å; Y22-L68 HydrophobicContact CD2-CD2 3.46Å; Y22-L68 VanDerWaalsContact CD2-CD2 3.46Å; Y22-L68 HydrophobicContact CE2-CD2 4.1Å; Y22-L68 HydrophobicContact CG-CD1 4.26Å; Y22-L68 HydrophobicContact CG-CD2 3.78Å; Y22-V85 HydrophobicContact CD1-CB 4.41Å; Y22-V85 HydrophobicContact CD1-CG2 4.25Å; Y22-L86 CarbonylContact C-O 3.29Å; Y22-L86 WeakPolarHBondContact CA-O 3.04Å; Y22-E87 HydrophobicContact CD1-CB 3.94Å; Y22-E87 HydrophobicContact CD1-CG 4.29Å; Y22-E87 HydrophobicContact CE1-CB 3.52Å; Y22-E87 HydrophobicContact CE1-CG 3.6Å; Y22-E87 HydrophobicContact CE2-CG 4.33Å; Y22-E87 PolarHBondContact OH-OE1 3.45Å; Y22-E87 PolarHBondContact OH-OE2 2.83Å |
| 23 | M | 90.6 | Very high | 65.8 | Low | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.8 | 164.5 | -167 | 177.5 | -67.7 | 0 | 0 | 109.9 | V25 S44 L45 V85 L86 L88 L96 R105 Y106 L109 | M23-V25 PolarHBondContact O-N 2.89Å; M23-S44 WeakPolarHBondContact CA-O 3.33Å; M23-L45 HydrophobicContact CB-CD2 4.35Å; M23-L45 HydrophobicContact CE-CD2 4.1Å; M23-V85 CarbonylContact O-C 3.37Å; M23-V85 VanDerWaalsContact O-CA 3.29Å; M23-V85 WeakPolarHBondContact O-CA 3.47Å; M23-L86 PolarHBondContact N-O 2.87Å; M23-L86 PolarHBondContact O-N 2.98Å; M23-L88 HydrophobicContact CB-CD1 4.28Å; M23-L88 HydrophobicContact CB-CD2 4.45Å; M23-L96 HydrophobicContact CE-CD1 3.79Å; M23-R105 HydrophobicContact CE-CG 3.76Å; M23-Y106 HydrophobicContact SD-CD2 4.08Å; M23-L109 HydrophobicContact CB-CD2 3.79Å; M23-L109 HydrophobicContact CE-CB 4.05Å; M23-L109 HydrophobicContact CE-CD2 3.85Å; M23-L109 HydrophobicContact CE-CG 4.46Å; M23-L109 HydrophobicContact CG-CD2 4.11Å; M23-L109 HydrophobicContact SD-CB 4Å; M23-L109 HydrophobicContact SD-CD2 3.34Å; M23-L109 WeakPolarHBondContact SD-CD2 3.36Å; M23-L109 HydrophobicContact SD-CG 4.29Å |
| 24 | V | 90.6 | Very high | 66.8 | Low | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.006 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 108.7 | 168.2 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | K26 I40 R42 G43 S44 L80 V85 | V24-K26 WeakPolarHBondContact CG1-O 3.41Å; V24-I40 HydrophobicContact CB-CG2 4.5Å; V24-I40 HydrophobicContact CG1-CG2 4.26Å; V24-I40 HydrophobicContact CG2-CG2 4.13Å; V24-R42 CarbonylContact O-C 3.54Å; V24-R42 WeakPolarHBondContact O-CA 3.39Å; V24-G43 PolarHBondContact O-N 3.19Å; V24-S44 PolarHBondContact N-O 2.96Å; V24-L80 HydrophobicContact CG1-CD1 4.45Å; V24-L80 HydrophobicContact CG2-CD1 3.77Å; V24-V85 HydrophobicContact CG2-CG1 4.44Å |
| 25 | V | 89.6 | Confident | 67.8 | Low | 36 Ų | 36 | 92.2 Ų | 92.2 | 22% | 0.218 | 44% | 0.443 | C | S | . | . | trans | -87.1 | -9.6 | -175.6 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | M23 D84 L86 Y106 | M23-V25 PolarHBondContact O-N 2.89Å; V25-D84 WeakPolarHBondContact CG2-O 3.04Å; V25-D84 PolarHBondContact N-O 3.01Å; V25-L86 HydrophobicContact CG1-CB 3.77Å; V25-Y106 HydrophobicContact CB-CE2 3.88Å; V25-Y106 HydrophobicContact CG1-CE2 4.08Å | ||
| 26 | K | 85.1 | Confident | 68.7 | Low | 120 Ų | 120 | 91.5 Ų | 91.5 | 52% | 0.522 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -140.2 | 136.1 | 179.4 | -176.4 | -164.3 | 177.5 | -171.3 | 0 | 109.9 | V24 C28 D84 | V24-K26 WeakPolarHBondContact CG1-O 3.41Å; K26-C28 PolarHBondContact O-N 3.43Å; K26-C28 PolarHBondContact O-SG 3.38Å; K26-D84 HydrophobicContact CB-CB 4.33Å; K26-D84 WeakPolarHBondContact CD-OD1 3.41Å; K26-D84 IonicContact NZ-OD1 3.96Å |
| 27 | E | 83.9 | Confident | 69.8 | Low | 80 Ų | 80 | 85.2 Ų | 85.2 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | trans | -57.4 | 132.2 | 177.1 | 173.7 | 158.7 | -108 | 0 | 0 | 112.2 | R39 I40 | E27-R39 HydrophobicContact CG-CG 4.4Å; E27-R39 IonicContact OE1-CZ 3.32Å; E27-R39 IonicContact OE1-NE 2.78Å; E27-R39 PolarHBondContact OE1-NE 2.85Å; E27-R39 IonicContact OE1-NH2 2.67Å; E27-R39 PolarHBondContact OE1-NH2 3.28Å; E27-R39 IonicContact OE2-CZ 3.81Å; E27-R39 IonicContact OE2-NE 3.93Å; E27-R39 PolarHBondContact OE2-NE 2.78Å; E27-R39 IonicContact OE2-NH2 3.66Å; E27-R39 PolarHBondContact OE2-NH2 3.29Å; E27-I40 WeakPolarHBondContact CA-O 3.3Å | ||
| 28 | C | 79.8 | Confident | 71.1 | Confident | 16 Ų | 16 | 82.7 Ų | 82.7 | 11% | 0.108 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.4 | -175.4 | -68.7 | 0 | 0 | 0 | 0 | 111.1 | K26 I40 L80 | K26-C28 PolarHBondContact O-N 3.43Å; K26-C28 PolarHBondContact O-SG 3.38Å; C28-I40 PolarHBondContact N-O 3.39Å; C28-I40 PolarHBondContact O-N 2.83Å; C28-L80 HydrophobicContact CB-CD2 3.98Å |
| 29 | T | 76.4 | Confident | 72.4 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 64% | 0.638 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.2 | 168.9 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | L38 R39 | T29-L38 WeakPolarHBondContact CA-O 3.48Å; T29-R39 HydrophobicContact CG2-CB 4.44Å; T29-R39 HydrophobicContact CG2-CG 4.31Å |
| 30 | V | 67.7 | Low | 73.2 | Confident | 40 Ų | 40 | 79.8 Ų | 79.8 | 24% | 0.242 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.6 | -179.9 | -172.4 | 0 | 0 | 0 | 0 | 110.8 | L38 L78 L80 | V30-L38 PolarHBondContact N-O 3.33Å; V30-L38 PolarHBondContact O-N 3.36Å; V30-L78 HydrophobicContact CB-CD2 3.89Å; V30-L78 HydrophobicContact CG1-CD2 3.84Å; V30-L78 HydrophobicContact CG2-CD1 4.26Å; V30-L78 HydrophobicContact CG2-CD2 4.06Å; V30-L80 HydrophobicContact CG2-CD2 4.46Å |
| 31 | E | 60.2 | Low | 73.3 | Confident | 159 Ų | 159 | 76.5 Ų | 76.5 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128.4 | 175.7 | -59.5 | -172.9 | 158.6 | 0 | 0 | 110.8 | T37 | E31-T37 HydrophobicContact CG-CG2 3.84Å |
| 32 | K | 54.3 | Low | 73.4 | Confident | 84 Ų | 84 | 81.4 Ų | 81.4 | 37% | 0.365 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.2 | 169.5 | -77.1 | -174.7 | 174.6 | 176 | 0 | 110.8 | P34 Q35 K36 V77 | K32-P34 CarbonylContact O-C 3.46Å; K32-Q35 PolarHBondContact O-N 2.92Å; K32-K36 PolarHBondContact N-O 3.47Å; K32-K36 PolarHBondContact O-N 3.46Å; K32-V77 WeakPolarHBondContact CE-O 3.32Å; K32-V77 PolarHBondContact NZ-O 2.92Å |
| 33 | P | 43.5 | Very low | 73.3 | Confident | 127 Ų | 127 | 81.1 Ų | 81.1 | 83% | 0.825 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 141.6 | 170.8 | -17.3 | 31.5 | 0 | 0 | 0 | 111.8 | ||
| 34 | P | 49.3 | Very low | 73.3 | Confident | 124 Ų | 124 | 81.1 Ų | 81.1 | 81% | 0.805 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.8 | 133.6 | -14 | 33.8 | -29.1 | 0 | 0 | 0 | 111.3 | K32 | K32-P34 CarbonylContact O-C 3.46Š|
| 35 | Q | 49.9 | Very low | 73.2 | Confident | 185 Ų | 185 | 81.1 Ų | 81.1 | 86% | 0.864 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 76.8 | 168.6 | -61.8 | 179.7 | -27.2 | 0 | 0 | 117.4 | K32 | K32-Q35 PolarHBondContact O-N 2.92Š|
| 36 | K | 54.8 | Low | 73.2 | Confident | 167 Ų | 167 | 79.5 Ų | 79.5 | 73% | 0.726 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | -167.7 | 139.1 | 126.1 | -105 | 160.5 | -174.1 | -178.8 | 0 | 112 | K32 | K32-K36 PolarHBondContact N-O 3.47Å; K32-K36 PolarHBondContact O-N 3.46Å | |
| 37 | T | 62.3 | Low | 73.3 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 63% | 0.632 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 115.8 | 156.2 | 24 | 0 | 0 | 0 | 0 | 108.1 | E31 | E31-T37 HydrophobicContact CG-CG2 3.84Å |
| 38 | L | 71.1 | Confident | 73.3 | Confident | 43 Ų | 43 | 72.6 Ų | 72.6 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120.2 | 178.5 | -169.2 | 72 | 0 | 0 | 0 | 109.4 | T29 V30 I40 V76 L78 | T29-L38 WeakPolarHBondContact CA-O 3.48Å; V30-L38 PolarHBondContact N-O 3.33Å; V30-L38 PolarHBondContact O-N 3.36Å; L38-I40 HydrophobicContact CD2-CD1 3.95Å; L38-I40 HydrophobicContact CG-CD1 4.07Å; L38-V76 HydrophobicContact CD2-CB 4.28Å; L38-V76 HydrophobicContact CD2-CG1 3.49Å; L38-V76 VanDerWaalsContact CD2-CG1 3.49Å; L38-V76 HydrophobicContact CD2-CG2 3.72Å; L38-L78 HydrophobicContact CD2-CD1 4.45Å; L38-L78 HydrophobicContact CD2-CD2 4.46Å |
| 39 | R | 81.3 | Confident | 73.5 | Confident | 161 Ų | 161 | 73.2 Ų | 73.2 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.5 | 176.2 | -170.3 | 175.3 | -179.6 | 178.3 | 2.5 | 109.1 | E27 T29 Q73 | E27-R39 HydrophobicContact CG-CG 4.4Å; E27-R39 IonicContact OE1-CZ 3.32Å; E27-R39 IonicContact OE1-NE 2.78Å; E27-R39 PolarHBondContact OE1-NE 2.85Å; E27-R39 IonicContact OE1-NH2 2.67Å; E27-R39 PolarHBondContact OE1-NH2 3.28Å; E27-R39 IonicContact OE2-CZ 3.81Å; E27-R39 IonicContact OE2-NE 3.93Å; E27-R39 PolarHBondContact OE2-NE 2.78Å; E27-R39 IonicContact OE2-NH2 3.66Å; E27-R39 PolarHBondContact OE2-NH2 3.29Å; T29-R39 HydrophobicContact CG2-CB 4.44Å; T29-R39 HydrophobicContact CG2-CG 4.31Å; R39-Q73 PolarHBondContact O-NE2 3.49Å |
| 40 | I | 84.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 112 | 174.4 | -53.9 | -57.6 | 0 | 0 | 0 | 107.2 | V24 E27 C28 L38 V70 Q73 V76 L78 | V24-I40 HydrophobicContact CB-CG2 4.5Å; V24-I40 HydrophobicContact CG1-CG2 4.26Å; V24-I40 HydrophobicContact CG2-CG2 4.13Å; E27-I40 WeakPolarHBondContact CA-O 3.3Å; C28-I40 PolarHBondContact N-O 3.39Å; C28-I40 PolarHBondContact O-N 2.83Å; L38-I40 HydrophobicContact CD2-CD1 3.95Å; L38-I40 HydrophobicContact CG-CD1 4.07Å; I40-V70 HydrophobicContact CD1-CG2 4.31Å; I40-Q73 VanDerWaalsContact CD1-OE1 3.26Å; I40-V76 HydrophobicContact CD1-CG1 4.15Å; I40-L78 HydrophobicContact CD1-CD1 3.8Å; I40-L78 HydrophobicContact CG1-CD1 3.44Å; I40-L78 VanDerWaalsContact CG1-CD1 3.44Å |
| 41 | P | 86.4 | Confident | 73.2 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 28% | 0.279 | 37% | 0.374 | S | S | . | . | trans | -67.2 | 160 | -179.7 | 29.5 | -35 | 0 | 0 | 0 | 111.2 | S44 C102 | P41-S44 WeakPolarHBondContact CD-OG 3.42Å; P41-S44 WeakPolarHBondContact CG-OG 3.46Å; P41-S44 PolarHBondContact O-N 3.31Å; P41-S44 PolarHBondContact O-OG 3.13Å; P41-C102 HydrophobicContact CG-CB 4.2Å | ||
| 42 | R | 89.8 | Confident | 73.5 | Confident | 110 Ų | 110 | 73.1 Ų | 73.1 | 42% | 0.415 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 145.7 | 162.9 | 67.3 | -177.8 | -179.4 | -165.6 | 3.7 | 109.1 | V24 C102 E103 Y106 | V24-R42 CarbonylContact O-C 3.54Å; V24-R42 WeakPolarHBondContact O-CA 3.39Å; R42-C102 WeakPolarHBondContact O-CB 3.11Å; R42-E103 IonicContact CZ-OE1 3.67Å; R42-E103 IonicContact CZ-OE2 3.99Å; R42-E103 VanDerWaalsContact NE-CD 3.33Å; R42-E103 IonicContact NE-OE1 2.75Å; R42-E103 PolarHBondContact NE-OE1 3.26Å; R42-E103 IonicContact NE-OE2 2.64Å; R42-E103 PolarHBondContact NE-OE2 3.08Å; R42-E103 VanDerWaalsContact NH2-CD 3.32Å; R42-E103 IonicContact NH2-OE1 3.92Å; R42-E103 PolarHBondContact NH2-OE1 3.37Å; R42-E103 IonicContact NH2-OE2 3.72Å; R42-E103 PolarHBondContact NH2-OE2 2.74Å; R42-Y106 HydrophobicContact CG-CD1 4.31Å; R42-Y106 HydrophobicContact CG-CG 4.4Å |
| 43 | G | 88.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -11.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V24 L45 C102 R105 | V24-G43 PolarHBondContact O-N 3.19Å; G43-L45 PolarHBondContact O-N 3.43Å; G43-C102 WeakPolarHBondContact CA-O 3.37Å; G43-R105 WeakPolarHBondContact O-CD 3.27Å; G43-R105 PolarHBondContact O-NH1 3.4Å |
| 44 | S | 90.8 | Very high | 74.1 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | trans | -62.9 | 136.2 | 175.9 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | M23 V24 P41 D72 | M23-S44 WeakPolarHBondContact CA-O 3.33Å; V24-S44 PolarHBondContact N-O 2.96Å; P41-S44 WeakPolarHBondContact CD-OG 3.42Å; P41-S44 WeakPolarHBondContact CG-OG 3.46Å; P41-S44 PolarHBondContact O-N 3.31Å; P41-S44 PolarHBondContact O-OG 3.13Å; S44-D72 WeakPolarHBondContact CA-OD2 3.28Å | ||
| 45 | L | 89.1 | Confident | 74.1 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 140.2 | 176.3 | -70.8 | 174 | 0 | 0 | 0 | 110.7 | Y22 M23 G43 L71 D72 L88 F97 | Y22-L45 CarbonylContact O-C 3.5Å; Y22-L45 WeakPolarHBondContact O-CA 3.44Å; M23-L45 HydrophobicContact CB-CD2 4.35Å; M23-L45 HydrophobicContact CE-CD2 4.1Å; G43-L45 PolarHBondContact O-N 3.43Å; L45-L71 HydrophobicContact CB-CD1 4.45Å; L45-L71 PolarHBondContact O-N 2.87Å; L45-D72 PolarHBondContact N-OD2 3.44Å; L45-L88 HydrophobicContact CD2-CD1 3.51Å; L45-F97 HydrophobicContact CB-CE1 4.49Å; L45-F97 HydrophobicContact CD1-CD1 3.64Å; L45-F97 HydrophobicContact CD1-CE1 3.86Å; L45-F97 HydrophobicContact CD1-CG 4.2Å |
| 46 | G | 88.4 | Confident | 74.4 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F21 Y22 R69 | F21-G46 CarbonylContact C-O 3.5Å; F21-G46 WeakPolarHBondContact CA-O 3.44Å; Y22-G46 PolarHBondContact N-O 3.13Å; Y22-G46 PolarHBondContact O-N 2.77Å; G46-R69 CarbonylContact C-O 3.58Å; G46-R69 VanDerWaalsContact CA-O 3.22Å; G46-R69 WeakPolarHBondContact CA-O 3.3Å |
| 47 | Q | 87.4 | Confident | 74.5 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.3 | 169.1 | -175.4 | 177.3 | 46.5 | 0 | 0 | 109.3 | F21 C49 L68 R69 L71 | F21-Q47 HydrophobicContact CD1-CB 4.37Å; F21-Q47 HydrophobicContact CE1-CB 4.35Å; F21-Q47 HydrophobicContact CE1-CG 4.22Å; Q47-C49 PolarHBondContact O-N 3.13Å; Q47-L68 CarbonylContact O-C 3.45Å; Q47-L68 WeakPolarHBondContact O-CA 3.43Å; Q47-R69 PolarHBondContact N-O 3.16Å; Q47-R69 PolarHBondContact O-N 3Å; Q47-L71 HydrophobicContact CB-CD1 4.1Å; Q47-L71 HydrophobicContact CB-CD2 3.94Å; Q47-L71 HydrophobicContact CB-CG 4.34Å |
| 48 | A | 84.7 | Confident | 74.5 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 132.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | R20 Y22 | R20-A48 HydrophobicContact CB-CB 4.12Å; R20-A48 PolarHBondContact O-N 3.3Å; Y22-A48 HydrophobicContact CE2-CB 3.98Å |
| 49 | C | 82.8 | Confident | 74 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | trans | -135.8 | 143.1 | 171.3 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | Q47 E51 S67 R69 | Q47-C49 PolarHBondContact O-N 3.13Å; C49-E51 PolarHBondContact O-N 3.05Å; C49-S67 PolarHBondContact N-O 2.89Å; C49-S67 WeakPolarHBondContact O-CB 3.21Å; C49-R69 HydrophobicContact CB-CB 4.44Å; C49-R69 PolarHBondContact SG-N 2.75Å; C49-R69 VanDerWaalsContact SG-N 3.44Å | ||
| 50 | Q | 73.1 | Confident | 73 | Confident | 113 Ų | 113 | 65 Ų | 65 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | trans | -76.3 | 125.5 | 176.3 | -166.8 | 171.8 | 55.8 | 0 | 0 | 109.8 | R52 T58 | Q50-R52 PolarHBondContact O-N 2.87Å; Q50-T58 HydrophobicContact CG-CG2 4.11Å | ||
| 51 | E | 65.1 | Low | 71.8 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | trans | -56.8 | 127.7 | 174.7 | -74.4 | -169 | 163.9 | 0 | 0 | 110.3 | C49 T58 L59 S67 S79 | C49-E51 PolarHBondContact O-N 3.05Å; E51-T58 WeakPolarHBondContact O-CA 3.42Å; E51-L59 HydrophobicContact CB-CB 3.9Å; E51-L59 HydrophobicContact CB-CD1 4.16Å; E51-L59 PolarHBondContact O-N 3.2Å; E51-S67 WeakPolarHBondContact CG-OG 3.24Å; E51-S79 WeakPolarHBondContact OE1-CB 3.48Å; E51-S79 PolarHBondContact OE1-OG 3.47Å | ||
| 52 | R | 66.3 | Low | 70.7 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 49% | 0.494 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -125.8 | 133.9 | 172.9 | -64.7 | 179.6 | -172 | 168.9 | 5.9 | 108.6 | E17 Q50 R57 T58 | E17-R52 IonicContact OE1-NH2 3.62Å; E17-R52 PolarHBondContact OE1-NH2 3.34Å; E17-R52 IonicContact OE2-NH2 2.74Å; Q50-R52 PolarHBondContact O-N 2.87Å; R52-R57 CarbonylContact C-O 3.52Å; R52-R57 VanDerWaalsContact CA-O 3.27Å; R52-R57 WeakPolarHBondContact CA-O 3.13Å; R52-T58 HydrophobicContact CG-CG2 4.19Å |
| 53 | N | 58.7 | Low | 69.7 | Low | 58 Ų | 58 | 76.2 Ų | 76.2 | 31% | 0.31 | 42% | 0.415 | S | S | . | . | trans | -73.8 | 175.9 | 177.9 | 73.7 | 8.3 | 0 | 0 | 0 | 111.8 | L55 G56 R57 L59 | N53-L55 PolarHBondContact O-N 2.92Å; N53-L55 WeakPolarHBondContact OD1-CA 2.92Å; N53-L55 PolarHBondContact OD1-N 2.66Å; N53-G56 PolarHBondContact O-N 3.09Å; N53-G56 PolarHBondContact OD1-N 3.4Å; N53-R57 PolarHBondContact N-O 2.84Å; N53-R57 PolarHBondContact OD1-N 2.69Å; N53-L59 HydrophobicContact CB-CD1 4.31Å; N53-L59 HydrophobicContact CB-CD2 4.45Å; N53-L59 HydrophobicContact CB-CG 4.37Å | ||
| 54 | S | 52 | Low | 69.1 | Low | 128 Ų | 128 | 77.7 Ų | 77.7 | 90% | 0.895 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -6.6 | 178.5 | 51.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 55 | L | 50 | Low | 68.7 | Low | 139 Ų | 139 | 81.5 Ų | 81.5 | 73% | 0.728 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 17.1 | 173.8 | -60.8 | 173.4 | 0 | 0 | 0 | 112.1 | N53 R57 | N53-L55 PolarHBondContact O-N 2.92Å; N53-L55 WeakPolarHBondContact OD1-CA 2.92Å; N53-L55 PolarHBondContact OD1-N 2.66Å; L55-R57 PolarHBondContact O-N 3.36Å |
| 56 | G | 56.3 | Low | 68.4 | Low | 53 Ų | 53 | 84.9 Ų | 84.9 | 55% | 0.546 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 72.6 | 2.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N53 | N53-G56 PolarHBondContact O-N 3.09Å; N53-G56 PolarHBondContact OD1-N 3.4Å |
| 57 | R | 57 | Low | 68.2 | Low | 183 Ų | 183 | 85.7 Ų | 85.7 | 69% | 0.691 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 137.5 | -179 | -59.5 | -172.8 | 179.9 | -166 | -0.8 | 110.8 | R52 N53 L55 | R52-R57 CarbonylContact C-O 3.52Å; R52-R57 VanDerWaalsContact CA-O 3.27Å; R52-R57 WeakPolarHBondContact CA-O 3.13Å; N53-R57 PolarHBondContact N-O 2.84Å; N53-R57 PolarHBondContact OD1-N 2.69Å; L55-R57 PolarHBondContact O-N 3.36Å |
| 58 | T | 60.8 | Low | 68.2 | Low | 83 Ų | 83 | 84.5 Ų | 84.5 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | B | Isolated β-bridge | trans | -64.5 | 136.1 | 176.2 | 49 | 0 | 0 | 0 | 0 | 111.2 | Q50 E51 R52 | Q50-T58 HydrophobicContact CG-CG2 4.11Å; E51-T58 WeakPolarHBondContact O-CA 3.42Å; R52-T58 HydrophobicContact CG-CG2 4.19Å |
| 59 | L | 62.1 | Low | 68.3 | Low | 74 Ų | 74 | 88.9 Ų | 88.9 | 39% | 0.387 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 146.8 | 173.7 | -70.5 | 168.7 | 0 | 0 | 0 | 110 | E51 N53 | E51-L59 HydrophobicContact CB-CB 3.9Å; E51-L59 HydrophobicContact CB-CD1 4.16Å; E51-L59 PolarHBondContact O-N 3.2Å; N53-L59 HydrophobicContact CB-CD1 4.31Å; N53-L59 HydrophobicContact CB-CD2 4.45Å; N53-L59 HydrophobicContact CB-CG 4.37Å |
| 60 | P | 59.1 | Low | 68.4 | Low | 105 Ų | 105 | 87.7 Ų | 87.7 | 68% | 0.682 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 138.3 | 174.2 | 29.4 | -33.6 | 0 | 0 | 0 | 109.8 | S62 | P60-S62 PolarHBondContact O-N 3.01Š|
| 61 | P | 59.7 | Low | 68.9 | Low | 120 Ų | 120 | 84.6 Ų | 84.6 | 78% | 0.779 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -62 | 127.6 | -176.4 | 24.8 | -33.9 | 0 | 0 | 0 | 111.4 | K63 | P61-K63 PolarHBondContact O-N 2.81Š|
| 62 | S | 64.3 | Low | 69.5 | Low | 54 Ų | 54 | 85 Ų | 85 | 38% | 0.378 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -71 | 122.8 | 174.6 | 42.6 | 0 | 0 | 0 | 0 | 109.9 | P60 G64 K65 | P60-S62 PolarHBondContact O-N 3.01Å; S62-G64 PolarHBondContact O-N 2.64Å; S62-K65 PolarHBondContact O-N 2.64Å; S62-K65 VanDerWaalsContact O-N 3.14Å |
| 63 | K | 68.8 | Low | 70 | Confident | 216 Ų | 216 | 81.2 Ų | 81.2 | 94% | 0.939 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 127.1 | -178.2 | -70.4 | -173.2 | 176.6 | -175.7 | 0 | 110.4 | P61 | P61-K63 PolarHBondContact O-N 2.81Š|
| 64 | G | 75.1 | Confident | 70.5 | Confident | 31 Ų | 31 | 84.5 Ų | 84.5 | 32% | 0.32 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -2.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S62 D81 E82 | S62-G64 PolarHBondContact O-N 2.64Å; G64-D81 CarbonylContact O-C 3.52Å; G64-D81 WeakPolarHBondContact O-CA 3.38Å; G64-E82 VanDerWaalsContact CA-OE2 3.22Å; G64-E82 WeakPolarHBondContact CA-OE2 3.43Å; G64-E82 PolarHBondContact O-N 3.14Å |
| 65 | K | 81.9 | Confident | 71.2 | Confident | 81 Ų | 81 | 86 Ų | 86 | 35% | 0.352 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.7 | -178 | -69.9 | -178.6 | -179.1 | -65.6 | 0 | 113.5 | S62 L80 D81 | S62-K65 PolarHBondContact O-N 2.64Å; S62-K65 VanDerWaalsContact O-N 3.14Å; K65-L80 CarbonylContact C-O 3.53Å; K65-L80 WeakPolarHBondContact CA-O 3.23Å; K65-L80 WeakPolarHBondContact CB-O 3.26Å; K65-D81 WeakPolarHBondContact CE-OD1 3.48Å; K65-D81 VanDerWaalsContact CG-OD1 3.27Å; K65-D81 WeakPolarHBondContact CG-OD1 3.16Å; K65-D81 IonicContact NZ-OD1 2.91Å; K65-D81 PolarHBondContact NZ-OD1 3.07Å; K65-D81 IonicContact NZ-OD2 2.72Å; K65-D81 PolarHBondContact NZ-OD2 3.29Å |
| 66 | R | 83.4 | Confident | 72.5 | Confident | 72 Ų | 72 | 80 Ų | 80 | 27% | 0.272 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.2 | 172.1 | -78.7 | -82.3 | -165.2 | -70.7 | -5.8 | 109 | Y22 L68 S79 L80 E82 V85 E87 | Y22-R66 HydrophobicContact CE1-CG 4.32Å; Y22-R66 PolarHBondContact OH-NE 3.27Å; R66-L68 HydrophobicContact CB-CD2 4.4Å; R66-L68 HydrophobicContact CB-CG 4.41Å; R66-S79 CarbonylContact O-C 3.29Å; R66-S79 WeakPolarHBondContact O-CA 3.21Å; R66-L80 PolarHBondContact N-O 3.49Å; R66-L80 PolarHBondContact O-N 2.66Å; R66-E82 HydrophobicContact CG-CG 4.02Å; R66-E82 IonicContact CZ-OE1 3.5Å; R66-E82 IonicContact NH1-OE1 2.61Å; R66-E82 PolarHBondContact NH1-OE1 3.06Å; R66-V85 HydrophobicContact CB-CG2 4.17Å; R66-V85 HydrophobicContact CG-CG2 4.08Å; R66-E87 IonicContact CZ-OE2 3.91Å; R66-E87 IonicContact NH2-OE2 2.72Å; R66-E87 PolarHBondContact NH2-OE2 3.02Å |
| 67 | S | 84.8 | Confident | 73.6 | Confident | 18 Ų | 18 | 80.3 Ų | 80.3 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.5 | 169.3 | -159.4 | 0 | 0 | 0 | 0 | 110.1 | C49 E51 L78 S79 | C49-S67 PolarHBondContact N-O 2.89Å; C49-S67 WeakPolarHBondContact O-CB 3.21Å; E51-S67 WeakPolarHBondContact CG-OG 3.24Å; S67-L78 CarbonylContact C-O 3.47Å; S67-L78 WeakPolarHBondContact CA-O 3.2Å; S67-S79 WeakPolarHBondContact CB-OG 3.22Å; S67-S79 PolarHBondContact OG-OG 3.18Å |
| 68 | L | 86 | Confident | 74.9 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.3 | -174.5 | -59.6 | -177 | 0 | 0 | 0 | 110.5 | Y22 Q47 R66 V77 L78 V85 | Y22-L68 HydrophobicContact CD2-CD2 3.46Å; Y22-L68 VanDerWaalsContact CD2-CD2 3.46Å; Y22-L68 HydrophobicContact CE2-CD2 4.1Å; Y22-L68 HydrophobicContact CG-CD1 4.26Å; Y22-L68 HydrophobicContact CG-CD2 3.78Å; Q47-L68 CarbonylContact O-C 3.45Å; Q47-L68 WeakPolarHBondContact O-CA 3.43Å; R66-L68 HydrophobicContact CB-CD2 4.4Å; R66-L68 HydrophobicContact CB-CG 4.41Å; L68-V77 WeakPolarHBondContact O-CA 3.21Å; L68-L78 PolarHBondContact N-O 3.04Å; L68-L78 PolarHBondContact O-N 3.14Å; L68-V85 HydrophobicContact CD1-CB 4.36Å; L68-V85 HydrophobicContact CD1-CG1 3.76Å |
| 69 | R | 86.3 | Confident | 75.9 | Confident | 119 Ų | 119 | 69.9 Ų | 69.9 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 109.4 | 158.7 | 178.8 | -170.8 | -66.4 | 150.6 | -3.3 | 107.3 | G46 Q47 C49 L71 V76 V77 | G46-R69 CarbonylContact C-O 3.58Å; G46-R69 VanDerWaalsContact CA-O 3.22Å; G46-R69 WeakPolarHBondContact CA-O 3.3Å; Q47-R69 PolarHBondContact N-O 3.16Å; Q47-R69 PolarHBondContact O-N 3Å; C49-R69 HydrophobicContact CB-CB 4.44Å; C49-R69 PolarHBondContact SG-N 2.75Å; C49-R69 VanDerWaalsContact SG-N 3.44Å; R69-L71 HydrophobicContact CG-CD2 4.49Å; R69-V76 CarbonylContact C-O 3.57Å; R69-V76 WeakPolarHBondContact CA-O 3.33Å; R69-V77 HydrophobicContact CB-CG2 4.16Å; R69-V77 HydrophobicContact CG-CG2 4.41Å |
| 70 | V | 86.8 | Confident | 77 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 135.4 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | I40 D72 Q73 V76 L78 | I40-V70 HydrophobicContact CD1-CG2 4.31Å; V70-D72 HydrophobicContact CG1-CB 4.36Å; V70-Q73 HydrophobicContact CG1-CB 4.12Å; V70-Q73 HydrophobicContact CG1-CG 4.32Å; V70-V76 HydrophobicContact CB-CB 4.1Å; V70-V76 HydrophobicContact CB-CG1 3.9Å; V70-V76 HydrophobicContact CG2-CB 4.47Å; V70-V76 HydrophobicContact CG2-CG1 3.73Å; V70-V76 PolarHBondContact N-O 3.08Å; V70-L78 HydrophobicContact CG2-CD1 4.11Å |
| 71 | L | 81.7 | Confident | 78.2 | Confident | 47 Ų | 47 | 65.1 Ų | 65.1 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -98 | -29.6 | -173.1 | -58.7 | 175 | 0 | 0 | 0 | 111.4 | F21 L45 Q47 R69 Q73 F97 L154 | F21-L71 HydrophobicContact CD1-CD1 4.09Å; F21-L71 HydrophobicContact CE1-CD1 4.31Å; L45-L71 HydrophobicContact CB-CD1 4.45Å; L45-L71 PolarHBondContact O-N 2.87Å; Q47-L71 HydrophobicContact CB-CD1 4.1Å; Q47-L71 HydrophobicContact CB-CD2 3.94Å; Q47-L71 HydrophobicContact CB-CG 4.34Å; R69-L71 HydrophobicContact CG-CD2 4.49Å; L71-Q73 PolarHBondContact O-N 2.83Å; L71-F97 HydrophobicContact CB-CE1 4.41Å; L71-F97 HydrophobicContact CD1-CE1 3.49Å; L71-F97 VanDerWaalsContact CD1-CE1 3.49Å; L71-F97 HydrophobicContact CD1-CZ 3.54Å; L71-L154 HydrophobicContact CD1-CD1 3.98Å; L71-L154 HydrophobicContact CD2-CD1 3.88Å; L71-L154 HydrophobicContact CG-CD1 4.47Å |
| 72 | D | 78.6 | Confident | 79.4 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -70.6 | -13.4 | 172 | -56.2 | -65.1 | 0 | 0 | 0 | 113.6 | S44 L45 V70 R105 | S44-D72 WeakPolarHBondContact CA-OD2 3.28Å; L45-D72 PolarHBondContact N-OD2 3.44Å; V70-D72 HydrophobicContact CG1-CB 4.36Å; D72-R105 IonicContact OD1-CZ 2.57Å; D72-R105 IonicContact OD1-NH1 2.67Å; D72-R105 PolarHBondContact OD1-NH1 3.33Å; D72-R105 VanDerWaalsContact OD1-NH1 3.09Å; D72-R105 IonicContact OD1-NH2 3.56Å; D72-R105 PolarHBondContact OD1-NH2 3Å; D72-R105 IonicContact OD2-CZ 2.68Å; D72-R105 IonicContact OD2-NH1 2.78Å; D72-R105 PolarHBondContact OD2-NH1 2.78Å; D72-R105 IonicContact OD2-NH2 3.45Å |
| 73 | Q | 75.8 | Confident | 80.3 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -135.2 | 116.4 | -177.2 | -62.2 | -174.1 | 6.2 | 0 | 0 | 111.6 | R39 I40 V70 L71 N75 V76 | R39-Q73 PolarHBondContact O-NE2 3.49Å; I40-Q73 VanDerWaalsContact CD1-OE1 3.26Å; V70-Q73 HydrophobicContact CG1-CB 4.12Å; V70-Q73 HydrophobicContact CG1-CG 4.32Å; L71-Q73 PolarHBondContact O-N 2.83Å; Q73-N75 PolarHBondContact O-N 3.48Å; Q73-V76 HydrophobicContact CB-CB 4.01Å; Q73-V76 HydrophobicContact CB-CG2 3.62Å; Q73-V76 PolarHBondContact O-N 3.17Å |
| 74 | T | 69.4 | Low | 81.2 | Confident | 127 Ų | 127 | 63.7 Ų | 63.7 | 78% | 0.779 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 135.4 | -175.2 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | V76 | T74-V76 PolarHBondContact O-N 3.28Š|
| 75 | N | 66.7 | Low | 81.9 | Confident | 158 Ų | 158 | 62.9 Ų | 62.9 | 85% | 0.845 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 13 | 178.2 | -53.3 | -57.6 | 0 | 0 | 0 | 115.8 | Q73 V77 | Q73-N75 PolarHBondContact O-N 3.48Å; N75-V77 PolarHBondContact O-N 3.04Å |
| 76 | V | 77.8 | Confident | 82.3 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 9% | 0.085 | 31% | 0.313 | C | S | . | . | trans | -87.7 | 101.4 | 177.9 | 175 | 0 | 0 | 0 | 0 | 110.7 | L38 I40 R69 V70 Q73 T74 L78 | L38-V76 HydrophobicContact CD2-CB 4.28Å; L38-V76 HydrophobicContact CD2-CG1 3.49Å; L38-V76 VanDerWaalsContact CD2-CG1 3.49Å; L38-V76 HydrophobicContact CD2-CG2 3.72Å; I40-V76 HydrophobicContact CD1-CG1 4.15Å; R69-V76 CarbonylContact C-O 3.57Å; R69-V76 WeakPolarHBondContact CA-O 3.33Å; V70-V76 HydrophobicContact CB-CB 4.1Å; V70-V76 HydrophobicContact CB-CG1 3.9Å; V70-V76 HydrophobicContact CG2-CB 4.47Å; V70-V76 HydrophobicContact CG2-CG1 3.73Å; V70-V76 PolarHBondContact N-O 3.08Å; Q73-V76 HydrophobicContact CB-CB 4.01Å; Q73-V76 HydrophobicContact CB-CG2 3.62Å; Q73-V76 PolarHBondContact O-N 3.17Å; T74-V76 PolarHBondContact O-N 3.28Å; V76-L78 HydrophobicContact CG1-CD1 3.65Å; V76-L78 HydrophobicContact CG1-CD2 4.27Å; V76-L78 HydrophobicContact CG1-CG 3.71Å | ||
| 77 | V | 80.4 | Confident | 82.7 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.1 | 163.9 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | K32 L68 R69 N75 | K32-V77 WeakPolarHBondContact CE-O 3.32Å; K32-V77 PolarHBondContact NZ-O 2.92Å; L68-V77 WeakPolarHBondContact O-CA 3.21Å; R69-V77 HydrophobicContact CB-CG2 4.16Å; R69-V77 HydrophobicContact CG-CG2 4.41Å; N75-V77 PolarHBondContact O-N 3.04Å |
| 78 | L | 82.6 | Confident | 82.9 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 155.1 | -176.4 | -58.1 | 173.2 | 0 | 0 | 0 | 110.4 | V30 L38 I40 S67 L68 V70 V76 | V30-L78 HydrophobicContact CB-CD2 3.89Å; V30-L78 HydrophobicContact CG1-CD2 3.84Å; V30-L78 HydrophobicContact CG2-CD1 4.26Å; V30-L78 HydrophobicContact CG2-CD2 4.06Å; L38-L78 HydrophobicContact CD2-CD1 4.45Å; L38-L78 HydrophobicContact CD2-CD2 4.46Å; I40-L78 HydrophobicContact CD1-CD1 3.8Å; I40-L78 HydrophobicContact CG1-CD1 3.44Å; I40-L78 VanDerWaalsContact CG1-CD1 3.44Å; S67-L78 CarbonylContact C-O 3.47Å; S67-L78 WeakPolarHBondContact CA-O 3.2Å; L68-L78 PolarHBondContact N-O 3.04Å; L68-L78 PolarHBondContact O-N 3.14Å; V70-L78 HydrophobicContact CG2-CD1 4.11Å; V76-L78 HydrophobicContact CG1-CD1 3.65Å; V76-L78 HydrophobicContact CG1-CD2 4.27Å; V76-L78 HydrophobicContact CG1-CG 3.71Å |
| 79 | S | 83.5 | Confident | 82.8 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 95.7 | 178.8 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | E51 R66 S67 | E51-S79 WeakPolarHBondContact OE1-CB 3.48Å; E51-S79 PolarHBondContact OE1-OG 3.47Å; R66-S79 CarbonylContact O-C 3.29Å; R66-S79 WeakPolarHBondContact O-CA 3.21Å; S67-S79 WeakPolarHBondContact CB-OG 3.22Å; S67-S79 PolarHBondContact OG-OG 3.18Å |
| 80 | L | 84.1 | Confident | 82.7 | Confident | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 157.1 | -174.6 | -57 | -179.9 | 0 | 0 | 0 | 110.8 | V24 C28 V30 K65 R66 V85 | V24-L80 HydrophobicContact CG1-CD1 4.45Å; V24-L80 HydrophobicContact CG2-CD1 3.77Å; C28-L80 HydrophobicContact CB-CD2 3.98Å; V30-L80 HydrophobicContact CG2-CD2 4.46Å; K65-L80 CarbonylContact C-O 3.53Å; K65-L80 WeakPolarHBondContact CA-O 3.23Å; K65-L80 WeakPolarHBondContact CB-O 3.26Å; R66-L80 PolarHBondContact N-O 3.49Å; R66-L80 PolarHBondContact O-N 2.66Å; L80-V85 HydrophobicContact CB-CG1 3.96Å; L80-V85 HydrophobicContact CD1-CG1 3.69Å; L80-V85 HydrophobicContact CG-CG1 4.46Å |
| 81 | D | 84.5 | Confident | 82.5 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 144.7 | 175.3 | -67.2 | -72.3 | 0 | 0 | 0 | 111.5 | G64 K65 R83 D84 | G64-D81 CarbonylContact O-C 3.52Å; G64-D81 WeakPolarHBondContact O-CA 3.38Å; K65-D81 WeakPolarHBondContact CE-OD1 3.48Å; K65-D81 VanDerWaalsContact CG-OD1 3.27Å; K65-D81 WeakPolarHBondContact CG-OD1 3.16Å; K65-D81 IonicContact NZ-OD1 2.91Å; K65-D81 PolarHBondContact NZ-OD1 3.07Å; K65-D81 IonicContact NZ-OD2 2.72Å; K65-D81 PolarHBondContact NZ-OD2 3.29Å; D81-R83 PolarHBondContact O-N 3.44Å; D81-D84 PolarHBondContact O-N 2.82Å |
| 82 | E | 84.7 | Confident | 82.7 | Confident | 98 Ų | 98 | 71.3 Ų | 71.3 | 46% | 0.458 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -2.7 | -177.5 | -77.4 | 178.9 | 132.7 | 0 | 0 | 114.8 | G64 R66 | G64-E82 VanDerWaalsContact CA-OE2 3.22Å; G64-E82 WeakPolarHBondContact CA-OE2 3.43Å; G64-E82 PolarHBondContact O-N 3.14Å; R66-E82 HydrophobicContact CG-CG 4.02Å; R66-E82 IonicContact CZ-OE1 3.5Å; R66-E82 IonicContact NH1-OE1 2.61Å; R66-E82 PolarHBondContact NH1-OE1 3.06Å |
| 83 | R | 84.4 | Confident | 83.1 | Confident | 230 Ų | 230 | 68.1 Ų | 68.1 | 87% | 0.868 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -23.8 | 177.3 | -57.4 | -178.7 | -174.2 | -177.5 | 1.6 | 113.4 | D81 | D81-R83 PolarHBondContact O-N 3.44Š|
| 84 | D | 87.3 | Confident | 83.6 | Confident | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.171 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -96.1 | 5.3 | -176.8 | -59 | -50.5 | 0 | 0 | 0 | 111.7 | V25 K26 D81 | V25-D84 WeakPolarHBondContact CG2-O 3.04Å; V25-D84 PolarHBondContact N-O 3.01Å; K26-D84 HydrophobicContact CB-CB 4.33Å; K26-D84 WeakPolarHBondContact CD-OD1 3.41Å; K26-D84 IonicContact NZ-OD1 3.96Å; D81-D84 PolarHBondContact O-N 2.82Å |
| 85 | V | 89 | Confident | 84.5 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.7 | 177.6 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | Y22 M23 V24 R66 L68 L80 | Y22-V85 HydrophobicContact CD1-CB 4.41Å; Y22-V85 HydrophobicContact CD1-CG2 4.25Å; M23-V85 CarbonylContact O-C 3.37Å; M23-V85 VanDerWaalsContact O-CA 3.29Å; M23-V85 WeakPolarHBondContact O-CA 3.47Å; V24-V85 HydrophobicContact CG2-CG1 4.44Å; R66-V85 HydrophobicContact CB-CG2 4.17Å; R66-V85 HydrophobicContact CG-CG2 4.08Å; L68-V85 HydrophobicContact CD1-CB 4.36Å; L68-V85 HydrophobicContact CD1-CG1 3.76Å; L80-V85 HydrophobicContact CB-CG1 3.96Å; L80-V85 HydrophobicContact CD1-CG1 3.69Å; L80-V85 HydrophobicContact CG-CG1 4.46Å |
| 86 | L | 90.5 | Very high | 85.6 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.6 | 173.5 | -169.6 | 75.8 | 0 | 0 | 0 | 110.3 | Y22 M23 V25 L109 | Y22-L86 CarbonylContact C-O 3.29Å; Y22-L86 WeakPolarHBondContact CA-O 3.04Å; M23-L86 PolarHBondContact N-O 2.87Å; M23-L86 PolarHBondContact O-N 2.98Å; V25-L86 HydrophobicContact CG1-CB 3.77Å; L86-L109 HydrophobicContact CD2-CD1 4.19Å; L86-L109 HydrophobicContact CD2-CD2 3.89Å; L86-L109 HydrophobicContact CD2-CG 4.26Å |
| 87 | E | 90.8 | Very high | 86 | Confident | 79 Ų | 79 | 57.2 Ų | 57.2 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128 | 174.1 | -161.4 | 156.9 | 166.1 | 0 | 0 | 109.6 | R20 Y22 R66 | R20-E87 WeakPolarHBondContact CD-OE1 3.5Å; R20-E87 IonicContact CZ-OE1 3.56Å; R20-E87 IonicContact NH1-OE1 3.25Å; R20-E87 PolarHBondContact NH1-OE1 3.21Å; Y22-E87 HydrophobicContact CD1-CB 3.94Å; Y22-E87 HydrophobicContact CD1-CG 4.29Å; Y22-E87 HydrophobicContact CE1-CB 3.52Å; Y22-E87 HydrophobicContact CE1-CG 3.6Å; Y22-E87 HydrophobicContact CE2-CG 4.33Å; Y22-E87 PolarHBondContact OH-OE1 3.45Å; Y22-E87 PolarHBondContact OH-OE2 2.83Å; R66-E87 IonicContact CZ-OE2 3.91Å; R66-E87 IonicContact NH2-OE2 2.72Å; R66-E87 PolarHBondContact NH2-OE2 3.02Å |
| 88 | L | 89.1 | Confident | 86.3 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 144.1 | 178.2 | -57.2 | 180 | 0 | 0 | 0 | 110.1 | F21 M23 L45 L92 A93 L96 L109 | F21-L88 HydrophobicContact CB-CB 4.31Å; F21-L88 PolarHBondContact O-N 3.08Å; M23-L88 HydrophobicContact CB-CD1 4.28Å; M23-L88 HydrophobicContact CB-CD2 4.45Å; L45-L88 HydrophobicContact CD2-CD1 3.51Å; L88-L92 HydrophobicContact CD2-CD2 4.05Å; L88-L92 HydrophobicContact CD2-CG 4.47Å; L88-A93 HydrophobicContact CB-CB 4.41Å; L88-A93 HydrophobicContact CD1-CB 4.37Å; L88-L96 HydrophobicContact CD1-CD1 4.29Å; L88-L109 HydrophobicContact CD2-CD1 3.65Å; L88-L109 HydrophobicContact CD2-CD2 4.15Å |
| 89 | D | 85.7 | Confident | 86.5 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 157.8 | 164.1 | 66.4 | 77.8 | 0 | 0 | 0 | 112 | K91 L92 A93 R119 | D89-K91 PolarHBondContact O-N 3.48Å; D89-K91 PolarHBondContact OD1-N 3.13Å; D89-L92 PolarHBondContact O-N 2.97Å; D89-L92 WeakPolarHBondContact OD1-CB 3.49Å; D89-L92 PolarHBondContact OD1-N 3.32Å; D89-A93 PolarHBondContact O-N 2.89Å; D89-R119 IonicContact OD1-NH2 3.39Å; D89-R119 PolarHBondContact OD1-NH2 2.9Å; D89-R119 IonicContact OD2-CZ 2.66Å; D89-R119 IonicContact OD2-NH2 3.4Å; D89-R119 PolarHBondContact OD2-NH2 3.48Å |
| 90 | E | 83 | Confident | 86.5 | Confident | 107 Ų | 107 | 58.7 Ų | 58.7 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.2 | -45.7 | -173.8 | -168.6 | 168.5 | -146.7 | 0 | 0 | 112 | A93 E94 | E90-A93 PolarHBondContact O-N 2.85Å; E90-E94 WeakPolarHBondContact O-CG 3.5Å; E90-E94 PolarHBondContact O-N 2.93Å |
| 91 | K | 83 | Confident | 86.5 | Confident | 145 Ų | 145 | 61.3 Ų | 61.3 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.4 | -39.3 | 179.1 | -66 | -173.4 | 174.3 | -169.3 | 0 | 112.8 | D89 E94 L95 | D89-K91 PolarHBondContact O-N 3.48Å; D89-K91 PolarHBondContact OD1-N 3.13Å; K91-E94 PolarHBondContact O-N 2.96Å; K91-L95 WeakPolarHBondContact O-CG 3.03Å; K91-L95 PolarHBondContact O-N 2.55Å; K91-L95 VanDerWaalsContact O-N 3.12Å |
| 92 | L | 85.8 | Confident | 86.7 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 177 | 179.3 | 56.1 | 0 | 0 | 0 | 111.1 | L88 D89 L95 L96 L109 L115 | L88-L92 HydrophobicContact CD2-CD2 4.05Å; L88-L92 HydrophobicContact CD2-CG 4.47Å; D89-L92 PolarHBondContact O-N 2.97Å; D89-L92 WeakPolarHBondContact OD1-CB 3.49Å; D89-L92 PolarHBondContact OD1-N 3.32Å; L92-L95 PolarHBondContact O-N 2.77Å; L92-L96 HydrophobicContact CD1-CD1 3.73Å; L92-L96 HydrophobicContact CD1-CG 4.05Å; L92-L96 HydrophobicContact CG-CD1 3.87Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 VanDerWaalsContact O-CG 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 2.82Å; L92-L96 VanDerWaalsContact O-N 3.09Å; L92-L109 HydrophobicContact CD2-CD1 4Å; L92-L115 HydrophobicContact CD1-CB 4.49Å; L92-L115 HydrophobicContact CD1-CD1 3.64Å; L92-L115 HydrophobicContact CD1-CD2 3.69Å; L92-L115 HydrophobicContact CD1-CG 4.15Å; L92-L115 HydrophobicContact CD2-CD1 4.45Å |
| 93 | A | 86.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -45 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F21 L88 D89 E90 L95 L96 F97 | F21-A93 HydrophobicContact CB-CB 3.67Å; F21-A93 HydrophobicContact CD2-CB 3.53Å; F21-A93 HydrophobicContact CE2-CB 4.4Å; F21-A93 HydrophobicContact CG-CB 3.7Å; L88-A93 HydrophobicContact CB-CB 4.41Å; L88-A93 HydrophobicContact CD1-CB 4.37Å; D89-A93 PolarHBondContact O-N 2.89Å; E90-A93 PolarHBondContact O-N 2.85Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 2.97Å; A93-L96 PolarHBondContact O-N 3.28Å; A93-L96 VanDerWaalsContact O-N 3.15Å; A93-F97 HydrophobicContact CB-CD2 4.32Å; A93-F97 HydrophobicContact CB-CE2 3.99Å; A93-F97 WeakPolarHBondContact O-CB 3.28Å; A93-F97 WeakPolarHBondContact O-CD2 2.98Å; A93-F97 WeakPolarHBondContact O-CG 3.14Å; A93-F97 PolarHBondContact O-N 2.94Å |
| 94 | E | 87.4 | Confident | 86.8 | Confident | 69 Ų | 69 | 50.3 Ų | 50.3 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55 | -40.8 | 175.1 | -78.4 | 178.1 | 158.4 | 0 | 0 | 113.4 | E90 K91 P98 G156 V157 | E90-E94 WeakPolarHBondContact O-CG 3.5Å; E90-E94 PolarHBondContact O-N 2.93Å; K91-E94 PolarHBondContact O-N 2.96Å; E94-P98 WeakPolarHBondContact O-CD 3.3Å; E94-G156 CarbonylContact O-C 3.13Å; E94-G156 VanDerWaalsContact O-CA 3.26Å; E94-G156 WeakPolarHBondContact O-CA 3.26Å; E94-V157 HydrophobicContact CB-CG2 4.03Å; E94-V157 PolarHBondContact O-N 2.81Å |
| 95 | L | 88.6 | Confident | 87 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.7 | -32.5 | 176.5 | -71.9 | 169.5 | 0 | 0 | 0 | 113.6 | K91 L92 A93 R119 V157 F159 L195 | K91-L95 WeakPolarHBondContact O-CG 3.03Å; K91-L95 PolarHBondContact O-N 2.55Å; K91-L95 VanDerWaalsContact O-N 3.12Å; L92-L95 PolarHBondContact O-N 2.77Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 2.97Å; L95-R119 HydrophobicContact CD1-CG 4.18Å; L95-V157 HydrophobicContact CD2-CB 4.25Å; L95-V157 HydrophobicContact CD2-CG1 4.07Å; L95-F159 HydrophobicContact CD2-CE2 3.93Å; L95-F159 HydrophobicContact CD2-CZ 3.71Å; L95-L195 HydrophobicContact CB-CD2 4.07Å; L95-L195 HydrophobicContact CD1-CD2 4.47Å |
| 96 | L | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -88.5 | -17.7 | -177.7 | -66 | 173 | 0 | 0 | 0 | 113.6 | M23 L88 L92 A93 I99 R105 L108 L109 L115 | M23-L96 HydrophobicContact CE-CD1 3.79Å; L88-L96 HydrophobicContact CD1-CD1 4.29Å; L92-L96 HydrophobicContact CD1-CD1 3.73Å; L92-L96 HydrophobicContact CD1-CG 4.05Å; L92-L96 HydrophobicContact CG-CD1 3.87Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 VanDerWaalsContact O-CG 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 2.82Å; L92-L96 VanDerWaalsContact O-N 3.09Å; A93-L96 PolarHBondContact O-N 3.28Å; A93-L96 VanDerWaalsContact O-N 3.15Å; L96-I99 HydrophobicContact CD2-CD1 3.71Å; L96-I99 WeakPolarHBondContact O-CB 3.4Å; L96-I99 PolarHBondContact O-N 3.28Å; L96-R105 HydrophobicContact CB-CG 4.02Å; L96-R105 HydrophobicContact CD2-CG 4.07Å; L96-R105 PolarHBondContact O-NE 3.33Å; L96-L108 HydrophobicContact CD2-CB 4.27Å; L96-L109 HydrophobicContact CD1-CD1 4.44Å; L96-L115 HydrophobicContact CD2-CD2 4.31Å |
| 97 | F | 86 | Confident | 86.9 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -40.7 | -179.3 | -96.2 | -54.5 | 0 | 0 | 0 | 115.5 | F21 L45 L71 A93 I99 L154 | F21-F97 HydrophobicContact CD1-CE2 4.1Å; F21-F97 AromaticContact CD1-CZ 3.72Å; F21-F97 HydrophobicContact CD1-CZ 3.72Å; F21-F97 HydrophobicContact CE1-CE2 4.02Å; F21-F97 AromaticContact CE1-CZ 3.73Å; F21-F97 HydrophobicContact CE1-CZ 3.73Å; F21-F97 HydrophobicContact CE2-CE2 4.47Å; F21-F97 HydrophobicContact CG-CE2 4.37Å; F21-F97 HydrophobicContact CG-CZ 4.36Å; F21-F97 HydrophobicContact CZ-CE2 4.21Å; F21-F97 HydrophobicContact CZ-CZ 4.37Å; L45-F97 HydrophobicContact CB-CE1 4.49Å; L45-F97 HydrophobicContact CD1-CD1 3.64Å; L45-F97 HydrophobicContact CD1-CE1 3.86Å; L45-F97 HydrophobicContact CD1-CG 4.2Å; L71-F97 HydrophobicContact CB-CE1 4.41Å; L71-F97 HydrophobicContact CD1-CE1 3.49Å; L71-F97 VanDerWaalsContact CD1-CE1 3.49Å; L71-F97 HydrophobicContact CD1-CZ 3.54Å; A93-F97 HydrophobicContact CB-CD2 4.32Å; A93-F97 HydrophobicContact CB-CE2 3.99Å; A93-F97 WeakPolarHBondContact O-CB 3.28Å; A93-F97 WeakPolarHBondContact O-CD2 2.98Å; A93-F97 WeakPolarHBondContact O-CG 3.14Å; A93-F97 PolarHBondContact O-N 2.94Å; F97-I99 VanDerWaalsContact C-N 3.26Å; F97-I99 PolarHBondContact O-N 3.3Å; F97-L154 HydrophobicContact CE1-CD1 4.39Å; F97-L154 HydrophobicContact CE2-CD2 4.5Å; F97-L154 HydrophobicContact CZ-CD1 4.18Å; F97-L154 HydrophobicContact CZ-CD2 4.31Å |
| 98 | P | 86.7 | Confident | 86.7 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 8% | 0.078 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22.1 | 178.5 | -26.1 | 38.6 | 0 | 0 | 0 | 114.7 | E94 T100 W158 A194 | E94-P98 WeakPolarHBondContact O-CD 3.3Å; P98-T100 PolarHBondContact O-N 3.36Å; P98-W158 HydrophobicContact CB-CD2 4.19Å; P98-W158 HydrophobicContact CB-CH2 4.4Å; P98-W158 HydrophobicContact CB-CZ2 3.86Å; P98-A194 HydrophobicContact CB-CB 3.63Å |
| 99 | I | 87.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -72.8 | 112.6 | -173.6 | -46.1 | -173.7 | 0 | 0 | 0 | 108.8 | L96 F97 R105 L108 A194 L195 D196 | L96-I99 HydrophobicContact CD2-CD1 3.71Å; L96-I99 WeakPolarHBondContact O-CB 3.4Å; L96-I99 PolarHBondContact O-N 3.28Å; F97-I99 VanDerWaalsContact C-N 3.26Å; F97-I99 PolarHBondContact O-N 3.3Å; I99-R105 HydrophobicContact CB-CB 4.2Å; I99-R105 HydrophobicContact CB-CG 4.09Å; I99-R105 HydrophobicContact CD1-CG 4.36Å; I99-R105 HydrophobicContact CG2-CB 3.87Å; I99-R105 HydrophobicContact CG2-CG 4.31Å; I99-R105 VanDerWaalsContact O-CZ 3.25Å; I99-R105 PolarHBondContact O-NE 3.3Å; I99-R105 PolarHBondContact O-NH2 3.39Å; I99-L108 HydrophobicContact CD1-CD1 3.55Å; I99-A194 HydrophobicContact CG1-CB 4.41Å; I99-L195 HydrophobicContact CD1-CB 4.47Å; I99-D196 HydrophobicContact CD1-CB 4.15Å; I99-D196 HydrophobicContact CG1-CB 4.4Å; I99-D196 WeakPolarHBondContact CG1-OD1 3.37Å; I99-D196 HydrophobicContact CG2-CB 3.89Å | ||
| 100 | T | 83 | Confident | 86.7 | Confident | 127 Ų | 127 | 46.6 Ų | 46.6 | 78% | 0.779 | 25% | 0.245 | S | C | * | . | trans | -83.2 | -34.1 | -173.6 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | P98 C102 | P98-T100 PolarHBondContact O-N 3.36Å; T100-C102 PolarHBondContact O-N 3.49Å | ||
| 101 | N | 85 | Confident | 86.9 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | trans | -76.2 | 115.7 | 174.8 | -173.6 | -5.2 | 0 | 0 | 0 | 110.4 | E103 E104 R105 | N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.05Å; N101-E103 PolarHBondContact OD1-N 2.77Å; N101-E104 HydrophobicContact CB-CB 4.15Å; N101-E104 HydrophobicContact CB-CG 4.19Å; N101-E104 WeakPolarHBondContact CB-OE1 3.35Å; N101-E104 PolarHBondContact ND2-OE1 3.33Å; N101-R105 VanDerWaalsContact O-CB 3.32Å; N101-R105 WeakPolarHBondContact O-CB 3.49Å; N101-R105 PolarHBondContact O-N 3.39Å | ||
| 102 | C | 87.2 | Confident | 87 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -33.2 | 178.5 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | P41 R42 G43 T100 R105 Y106 | P41-C102 HydrophobicContact CG-CB 4.2Å; R42-C102 WeakPolarHBondContact O-CB 3.11Å; G43-C102 WeakPolarHBondContact CA-O 3.37Å; T100-C102 PolarHBondContact O-N 3.49Å; C102-R105 PolarHBondContact O-N 2.82Å; C102-Y106 WeakPolarHBondContact O-CB 3.19Å; C102-Y106 PolarHBondContact O-N 3.43Å |
| 103 | E | 86.4 | Confident | 86.9 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.7 | -47 | -178.7 | -169.2 | 59.8 | -141.6 | 0 | 0 | 111.6 | R42 N101 R105 Y106 A107 | R42-E103 IonicContact CZ-OE1 3.67Å; R42-E103 IonicContact CZ-OE2 3.99Å; R42-E103 VanDerWaalsContact NE-CD 3.33Å; R42-E103 IonicContact NE-OE1 2.75Å; R42-E103 PolarHBondContact NE-OE1 3.26Å; R42-E103 IonicContact NE-OE2 2.64Å; R42-E103 PolarHBondContact NE-OE2 3.08Å; R42-E103 VanDerWaalsContact NH2-CD 3.32Å; R42-E103 IonicContact NH2-OE1 3.92Å; R42-E103 PolarHBondContact NH2-OE1 3.37Å; R42-E103 IonicContact NH2-OE2 3.72Å; R42-E103 PolarHBondContact NH2-OE2 2.74Å; N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.05Å; N101-E103 PolarHBondContact OD1-N 2.77Å; E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.01Å; E103-Y106 PolarHBondContact O-N 3.05Å; E103-Y106 VanDerWaalsContact O-N 3.16Å; E103-A107 PolarHBondContact O-N 2.92Å |
| 104 | E | 85.3 | Confident | 86.9 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 173.2 | -69.9 | 168.6 | -121.4 | 0 | 0 | 111.1 | N101 Y106 A107 L108 K197 | N101-E104 HydrophobicContact CB-CB 4.15Å; N101-E104 HydrophobicContact CB-CG 4.19Å; N101-E104 WeakPolarHBondContact CB-OE1 3.35Å; N101-E104 PolarHBondContact ND2-OE1 3.33Å; E104-Y106 VanDerWaalsContact C-N 3.3Å; E104-Y106 PolarHBondContact O-N 2.77Å; E104-A107 PolarHBondContact O-N 3.01Å; E104-L108 WeakPolarHBondContact O-CD1 3.27Å; E104-L108 WeakPolarHBondContact O-CG 3.08Å; E104-L108 PolarHBondContact O-N 2.82Å; E104-K197 IonicContact OE2-NZ 3.23Å; E104-K197 PolarHBondContact OE2-NZ 3.33Å |
| 105 | R | 91.3 | Very high | 86.7 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 175.3 | -161.1 | -162.2 | -64.2 | 158.6 | -14.5 | 112.3 | M23 G43 D72 L96 I99 N101 C102 E103 L109 | M23-R105 HydrophobicContact CE-CG 3.76Å; G43-R105 WeakPolarHBondContact O-CD 3.27Å; G43-R105 PolarHBondContact O-NH1 3.4Å; D72-R105 IonicContact OD1-CZ 2.57Å; D72-R105 IonicContact OD1-NH1 2.67Å; D72-R105 PolarHBondContact OD1-NH1 3.33Å; D72-R105 VanDerWaalsContact OD1-NH1 3.09Å; D72-R105 IonicContact OD1-NH2 3.56Å; D72-R105 PolarHBondContact OD1-NH2 3Å; D72-R105 IonicContact OD2-CZ 2.68Å; D72-R105 IonicContact OD2-NH1 2.78Å; D72-R105 PolarHBondContact OD2-NH1 2.78Å; D72-R105 IonicContact OD2-NH2 3.45Å; L96-R105 HydrophobicContact CB-CG 4.02Å; L96-R105 HydrophobicContact CD2-CG 4.07Å; L96-R105 PolarHBondContact O-NE 3.33Å; I99-R105 HydrophobicContact CB-CB 4.2Å; I99-R105 HydrophobicContact CB-CG 4.09Å; I99-R105 HydrophobicContact CD1-CG 4.36Å; I99-R105 HydrophobicContact CG2-CB 3.87Å; I99-R105 HydrophobicContact CG2-CG 4.31Å; I99-R105 VanDerWaalsContact O-CZ 3.25Å; I99-R105 PolarHBondContact O-NE 3.3Å; I99-R105 PolarHBondContact O-NH2 3.39Å; N101-R105 VanDerWaalsContact O-CB 3.32Å; N101-R105 WeakPolarHBondContact O-CB 3.49Å; N101-R105 PolarHBondContact O-N 3.39Å; C102-R105 PolarHBondContact O-N 2.82Å; E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.01Å; R105-L109 PolarHBondContact O-N 3.23Å |
| 106 | Y | 90.3 | Very high | 86.5 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.5 | -43.8 | 175.6 | 179 | -106.6 | 0 | 0 | 0 | 112.2 | M23 V25 R42 C102 E103 E104 L108 L109 C110 | M23-Y106 HydrophobicContact SD-CD2 4.08Å; V25-Y106 HydrophobicContact CB-CE2 3.88Å; V25-Y106 HydrophobicContact CG1-CE2 4.08Å; R42-Y106 HydrophobicContact CG-CD1 4.31Å; R42-Y106 HydrophobicContact CG-CG 4.4Å; C102-Y106 WeakPolarHBondContact O-CB 3.19Å; C102-Y106 PolarHBondContact O-N 3.43Å; E103-Y106 PolarHBondContact O-N 3.05Å; E103-Y106 VanDerWaalsContact O-N 3.16Å; E104-Y106 VanDerWaalsContact C-N 3.3Å; E104-Y106 PolarHBondContact O-N 2.77Å; Y106-L108 VanDerWaalsContact C-N 3.29Å; Y106-L108 PolarHBondContact O-N 2.58Å; Y106-L109 WeakPolarHBondContact O-CB 3.19Å; Y106-L109 PolarHBondContact O-N 3.03Å; Y106-L109 VanDerWaalsContact O-N 3.07Å; Y106-C110 PolarHBondContact O-N 3.18Å |
| 107 | A | 87.3 | Confident | 86.2 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 45% | 0.446 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | E103 E104 C110 N111 | E103-A107 PolarHBondContact O-N 2.92Å; E104-A107 PolarHBondContact O-N 3.01Å; A107-C110 WeakPolarHBondContact O-CB 3.01Å; A107-C110 PolarHBondContact O-N 2.84Å; A107-N111 PolarHBondContact O-N 3.33Å |
| 108 | L | 87.2 | Confident | 86.1 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 172.9 | -72.7 | 162 | 0 | 0 | 0 | 112.4 | L96 I99 E104 Y106 C110 N111 R114 L115 D196 | L96-L108 HydrophobicContact CD2-CB 4.27Å; I99-L108 HydrophobicContact CD1-CD1 3.55Å; E104-L108 WeakPolarHBondContact O-CD1 3.27Å; E104-L108 WeakPolarHBondContact O-CG 3.08Å; E104-L108 PolarHBondContact O-N 2.82Å; Y106-L108 VanDerWaalsContact C-N 3.29Å; Y106-L108 PolarHBondContact O-N 2.58Å; L108-C110 PolarHBondContact O-N 3Å; L108-N111 CarbonylContact O-C 3.5Å; L108-N111 PolarHBondContact O-N 3.34Å; L108-R114 HydrophobicContact CD2-CG 4.33Å; L108-L115 WeakPolarHBondContact O-CD1 3.43Å; L108-L115 VanDerWaalsContact O-CG 3.31Å; L108-L115 WeakPolarHBondContact O-CG 3.36Å; L108-D196 HydrophobicContact CD1-CB 3.68Å |
| 109 | L | 87.9 | Confident | 86 | Confident | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -32.7 | 173.8 | -175.2 | 64 | 0 | 0 | 0 | 112.8 | M23 L86 L88 L92 L96 R105 Y106 L115 | M23-L109 HydrophobicContact CB-CD2 3.79Å; M23-L109 HydrophobicContact CE-CB 4.05Å; M23-L109 HydrophobicContact CE-CD2 3.85Å; M23-L109 HydrophobicContact CE-CG 4.46Å; M23-L109 HydrophobicContact CG-CD2 4.11Å; M23-L109 HydrophobicContact SD-CB 4Å; M23-L109 HydrophobicContact SD-CD2 3.34Å; M23-L109 WeakPolarHBondContact SD-CD2 3.36Å; M23-L109 HydrophobicContact SD-CG 4.29Å; L86-L109 HydrophobicContact CD2-CD1 4.19Å; L86-L109 HydrophobicContact CD2-CD2 3.89Å; L86-L109 HydrophobicContact CD2-CG 4.26Å; L88-L109 HydrophobicContact CD2-CD1 3.65Å; L88-L109 HydrophobicContact CD2-CD2 4.15Å; L92-L109 HydrophobicContact CD2-CD1 4Å; L96-L109 HydrophobicContact CD1-CD1 4.44Å; R105-L109 PolarHBondContact O-N 3.23Å; Y106-L109 WeakPolarHBondContact O-CB 3.19Å; Y106-L109 PolarHBondContact O-N 3.03Å; Y106-L109 VanDerWaalsContact O-N 3.07Å; L109-L115 HydrophobicContact CD1-CD1 4.36Å |
| 110 | C | 87.1 | Confident | 85.9 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 52% | 0.52 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.2 | -37.8 | 171.9 | -67.1 | 0 | 0 | 0 | 0 | 112.5 | Y106 A107 L108 K112 | Y106-C110 PolarHBondContact O-N 3.18Å; A107-C110 WeakPolarHBondContact O-CB 3.01Å; A107-C110 PolarHBondContact O-N 2.84Å; L108-C110 PolarHBondContact O-N 3Å; C110-K112 VanDerWaalsContact C-N 3.32Å; C110-K112 PolarHBondContact O-N 3.28Å |
| 111 | N | 87.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | trans | -79.7 | 72.9 | 178.7 | -165.8 | -24.8 | 0 | 0 | 0 | 112.5 | A107 L108 P113 R114 L115 | A107-N111 PolarHBondContact O-N 3.33Å; L108-N111 CarbonylContact O-C 3.5Å; L108-N111 PolarHBondContact O-N 3.34Å; N111-P113 WeakPolarHBondContact OD1-CD 3.32Å; N111-R114 HydrophobicContact CB-CB 4.17Å; N111-R114 VanDerWaalsContact CG-CB 3.46Å; N111-R114 PolarHBondContact O-N 3.05Å; N111-R114 VanDerWaalsContact OD1-CB 3.28Å; N111-R114 WeakPolarHBondContact OD1-CB 3.31Å; N111-R114 PolarHBondContact OD1-N 3.45Å; N111-L115 PolarHBondContact O-N 3.15Å; N111-L115 VanDerWaalsContact O-N 3.08Å | ||
| 112 | K | 84.6 | Confident | 86.5 | Confident | 155 Ų | 155 | 61 Ų | 61 | 67% | 0.674 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55.2 | -41.8 | 177.5 | -62 | -178.7 | -178.2 | 178.9 | 0 | 114.3 | C110 R114 L115 E116 | C110-K112 VanDerWaalsContact C-N 3.32Å; C110-K112 PolarHBondContact O-N 3.28Å; K112-R114 PolarHBondContact O-N 3.11Å; K112-L115 PolarHBondContact O-N 2.61Å; K112-E116 PolarHBondContact O-N 3.28Å |
| 113 | P | 84.3 | Confident | 86.7 | Confident | 92 Ų | 92 | 63.7 Ų | 63.7 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | 176.3 | -25.9 | 35.9 | 0 | 0 | 0 | 113.3 | N111 R117 | N111-P113 WeakPolarHBondContact OD1-CD 3.32Å; P113-R117 PolarHBondContact O-N 2.82Å; P113-R117 VanDerWaalsContact O-N 3.11Å |
| 114 | R | 84.8 | Confident | 86.8 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 21% | 0.211 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 174.8 | -175.1 | 169.9 | 176.6 | 154.9 | 2.9 | 111.8 | L108 N111 K112 A118 L198 E199 | L108-R114 HydrophobicContact CD2-CG 4.33Å; N111-R114 HydrophobicContact CB-CB 4.17Å; N111-R114 VanDerWaalsContact CG-CB 3.46Å; N111-R114 PolarHBondContact O-N 3.05Å; N111-R114 VanDerWaalsContact OD1-CB 3.28Å; N111-R114 WeakPolarHBondContact OD1-CB 3.31Å; N111-R114 PolarHBondContact OD1-N 3.45Å; K112-R114 PolarHBondContact O-N 3.11Å; R114-A118 WeakPolarHBondContact O-CB 3.31Å; R114-A118 PolarHBondContact O-N 3.31Å; R114-L198 PolarHBondContact NH2-O 3.19Å; R114-E199 IonicContact CZ-OE1 2.76Å; R114-E199 IonicContact NH1-OE1 3.57Å; R114-E199 PolarHBondContact NH1-OE1 3.47Å; R114-E199 IonicContact NH2-OE1 3.47Å; R114-E199 PolarHBondContact NH2-OE1 2.87Å |
| 115 | L | 84.1 | Confident | 87.2 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.1 | -34.3 | 178.4 | -77.2 | 179.2 | 0 | 0 | 0 | 115 | L92 L96 L108 L109 N111 K112 L195 | L92-L115 HydrophobicContact CD1-CB 4.49Å; L92-L115 HydrophobicContact CD1-CD1 3.64Å; L92-L115 HydrophobicContact CD1-CD2 3.69Å; L92-L115 HydrophobicContact CD1-CG 4.15Å; L92-L115 HydrophobicContact CD2-CD1 4.45Å; L96-L115 HydrophobicContact CD2-CD2 4.31Å; L108-L115 WeakPolarHBondContact O-CD1 3.43Å; L108-L115 VanDerWaalsContact O-CG 3.31Å; L108-L115 WeakPolarHBondContact O-CG 3.36Å; L109-L115 HydrophobicContact CD1-CD1 4.36Å; N111-L115 PolarHBondContact O-N 3.15Å; N111-L115 VanDerWaalsContact O-N 3.08Å; K112-L115 PolarHBondContact O-N 2.61Å; L115-L195 HydrophobicContact CD2-CD2 3.94Å |
| 116 | E | 83.4 | Confident | 87.2 | Confident | 107 Ų | 107 | 63.8 Ų | 63.8 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.8 | -47 | 172.5 | -63.9 | -64.3 | 174.7 | 0 | 0 | 110 | K112 A118 R119 | K112-E116 PolarHBondContact O-N 3.28Å; E116-A118 PolarHBondContact O-N 3.28Å; E116-R119 WeakPolarHBondContact O-CB 3.47Å; E116-R119 PolarHBondContact O-N 3.15Å; E116-R119 IonicContact OE1-NH1 2.71Å; E116-R119 PolarHBondContact OE1-NH1 3.19Å; E116-R119 WeakPolarHBondContact OE2-CD 3.37Å; E116-R119 IonicContact OE2-CZ 2.99Å; E116-R119 IonicContact OE2-NE 2.7Å; E116-R119 IonicContact OE2-NH1 2.67Å; E116-R119 PolarHBondContact OE2-NH1 3.02Å |
| 117 | R | 83 | Confident | 87.4 | Confident | 126 Ų | 126 | 61.2 Ų | 61.2 | 48% | 0.475 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -53.8 | -38.2 | 171.5 | -80.1 | -155.5 | -70.7 | 174.8 | -2.2 | 112.6 | P113 R119 D120 L200 D202 | P113-R117 PolarHBondContact O-N 2.82Å; P113-R117 VanDerWaalsContact O-N 3.11Å; R117-R119 VanDerWaalsContact C-N 3.25Å; R117-R119 PolarHBondContact O-N 2.95Å; R117-D120 PolarHBondContact O-N 2.89Å; R117-L200 HydrophobicContact CB-CD1 4.11Å; R117-D202 IonicContact NH1-OD2 3.8Å; R117-D202 PolarHBondContact NH1-OD2 3.2Å |
| 118 | A | 84.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -23.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R114 E116 D120 I121 L195 | R114-A118 WeakPolarHBondContact O-CB 3.31Å; R114-A118 PolarHBondContact O-N 3.31Å; E116-A118 PolarHBondContact O-N 3.28Å; A118-D120 VanDerWaalsContact C-N 3.31Å; A118-I121 HydrophobicContact CB-CD1 4.36Å; A118-L195 HydrophobicContact CB-CD1 3.49Å; A118-L195 VanDerWaalsContact CB-CD1 3.49Å; A118-L195 HydrophobicContact CB-CD2 3.49Å; A118-L195 VanDerWaalsContact CB-CD2 3.49Å; A118-L195 HydrophobicContact CB-CG 4.1Å |
| 119 | R | 85.4 | Confident | 87.8 | Confident | 67 Ų | 67 | 61.6 Ų | 61.6 | 25% | 0.253 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.9 | -33.7 | 178 | -73.2 | 168.1 | 158 | 166.1 | -2.1 | 111.7 | D89 L95 E116 R117 K145 | D89-R119 IonicContact OD1-NH2 3.39Å; D89-R119 PolarHBondContact OD1-NH2 2.9Å; D89-R119 IonicContact OD2-CZ 2.66Å; D89-R119 IonicContact OD2-NH2 3.4Å; D89-R119 PolarHBondContact OD2-NH2 3.48Å; L95-R119 HydrophobicContact CD1-CG 4.18Å; E116-R119 WeakPolarHBondContact O-CB 3.47Å; E116-R119 PolarHBondContact O-N 3.15Å; E116-R119 IonicContact OE1-NH1 2.71Å; E116-R119 PolarHBondContact OE1-NH1 3.19Å; E116-R119 WeakPolarHBondContact OE2-CD 3.37Å; E116-R119 IonicContact OE2-CZ 2.99Å; E116-R119 IonicContact OE2-NE 2.7Å; E116-R119 IonicContact OE2-NH1 2.67Å; E116-R119 PolarHBondContact OE2-NH1 3.02Å; R117-R119 VanDerWaalsContact C-N 3.25Å; R117-R119 PolarHBondContact O-N 2.95Å; R119-K145 PolarHBondContact O-NZ 3.09Å |
| 120 | D | 84.4 | Confident | 87.8 | Confident | 121 Ų | 121 | 63 Ų | 63 | 65% | 0.647 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -87.2 | -5 | -175.2 | -58 | -32 | 0 | 0 | 0 | 113.4 | R117 A118 D122 | R117-D120 PolarHBondContact O-N 2.89Å; A118-D120 VanDerWaalsContact C-N 3.31Å; D120-D122 PolarHBondContact O-N 3.13Å; D120-D122 VanDerWaalsContact O-N 3.12Å |
| 121 | I | 89.4 | Confident | 87.4 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | trans | -65.6 | 106 | 168 | -59 | 174 | 0 | 0 | 0 | 108.8 | A118 V127 V142 K145 F159 L195 L200 | A118-I121 HydrophobicContact CB-CD1 4.36Å; I121-V127 HydrophobicContact CG2-CG1 4.13Å; I121-V142 HydrophobicContact CG2-CG2 3.74Å; I121-K145 VanDerWaalsContact O-CD 3.26Å; I121-K145 WeakPolarHBondContact O-CD 3.41Å; I121-K145 WeakPolarHBondContact O-CE 3.39Å; I121-K145 PolarHBondContact O-NZ 3.4Å; I121-F159 HydrophobicContact CB-CE1 4Å; I121-F159 HydrophobicContact CG2-CD1 3.9Å; I121-F159 HydrophobicContact CG2-CE1 3.59Å; I121-F159 HydrophobicContact CG2-CZ 4.46Å; I121-L195 HydrophobicContact CD1-CD1 4.06Å; I121-L200 HydrophobicContact CD1-CG 4.36Å; I121-L200 HydrophobicContact CG1-CD1 4.28Å; I121-L200 HydrophobicContact CG1-CD2 3.75Å; I121-L200 HydrophobicContact CG1-CG 3.77Å | ||
| 122 | D | 90.7 | Very high | 86.9 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | trans | -123.9 | 173.5 | 178.4 | -92.5 | -26.8 | 0 | 0 | 0 | 111.6 | D120 G124 S125 K145 | D120-D122 PolarHBondContact O-N 3.13Å; D120-D122 VanDerWaalsContact O-N 3.12Å; D122-G124 PolarHBondContact O-N 3.4Å; D122-G124 VanDerWaalsContact O-N 3.07Å; D122-S125 PolarHBondContact N-OG 3.39Å; D122-S125 WeakPolarHBondContact O-CB 3.09Å; D122-S125 PolarHBondContact O-N 3Å; D122-S125 PolarHBondContact O-OG 3.49Å; D122-K145 WeakPolarHBondContact OD1-CD 3.39Å; D122-K145 WeakPolarHBondContact OD1-CE 3.3Å; D122-K145 IonicContact OD1-NZ 3.27Å; D122-K145 PolarHBondContact OD1-NZ 3.11Å | ||
| 123 | C | 91.7 | Very high | 86.2 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 53% | 0.527 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 114.1 | 177.1 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | V142 F144 | C123-V142 CarbonylContact C-O 3.57Å; C123-V142 WeakPolarHBondContact CA-O 3.14Å; C123-F144 VanDerWaalsContact SG-CA 3.58Å |
| 124 | G | 88.9 | Confident | 85.3 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 117.1 | -19.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D122 K126 V142 | D122-G124 PolarHBondContact O-N 3.4Å; D122-G124 VanDerWaalsContact O-N 3.07Å; G124-K126 PolarHBondContact O-N 3.25Å; G124-V142 PolarHBondContact N-O 3.42Å |
| 125 | S | 93.3 | Very high | 84.9 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | trans | -62.5 | 132.7 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | D122 V141 V142 | D122-S125 PolarHBondContact N-OG 3.39Å; D122-S125 WeakPolarHBondContact O-CB 3.09Å; D122-S125 PolarHBondContact O-N 3Å; D122-S125 PolarHBondContact O-OG 3.49Å; S125-V141 WeakPolarHBondContact O-CA 3.48Å; S125-V142 PolarHBondContact O-N 2.87Å | ||
| 126 | K | 93 | Very high | 84.8 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 32% | 0.317 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 141.4 | 162.1 | -67.7 | 172.1 | 161.4 | 178.9 | 0 | 109.1 | G124 G140 W201 D203 | G124-K126 PolarHBondContact O-N 3.25Å; K126-G140 CarbonylContact C-O 3.55Å; K126-G140 WeakPolarHBondContact CA-O 3.35Å; K126-W201 HydrophobicContact CB-CB 3.7Å; K126-W201 HydrophobicContact CB-CG 4.2Å; K126-W201 PolarHBondContact O-N 2.98Å; K126-D203 WeakPolarHBondContact CD-OD1 3.22Å; K126-D203 WeakPolarHBondContact CE-OD1 3.48Å; K126-D203 IonicContact NZ-OD1 2.63Å; K126-D203 PolarHBondContact NZ-OD1 3.43Å; K126-D203 IonicContact NZ-OD2 2.76Å; K126-D203 PolarHBondContact NZ-OD2 3Å |
| 127 | V | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 152 | -179 | -72.9 | 0 | 0 | 0 | 0 | 110.7 | I121 V129 G140 V142 V161 L198 E199 L200 | I121-V127 HydrophobicContact CG2-CG1 4.13Å; V127-V129 HydrophobicContact CG2-CG2 3.99Å; V127-G140 PolarHBondContact N-O 2.99Å; V127-G140 PolarHBondContact O-N 2.92Å; V127-V142 HydrophobicContact CG1-CG2 3.78Å; V127-V142 HydrophobicContact CG2-CG2 3.86Å; V127-V161 HydrophobicContact CG2-CG1 3.76Å; V127-V161 HydrophobicContact CG2-CG2 4.4Å; V127-L198 HydrophobicContact CB-CD2 4.17Å; V127-L198 HydrophobicContact CG2-CD2 3.99Å; V127-E199 CarbonylContact C-O 3.54Å; V127-E199 WeakPolarHBondContact CA-O 3.29Å; V127-E199 VanDerWaalsContact CB-O 3.26Å; V127-E199 WeakPolarHBondContact CB-O 3.48Å; V127-L200 HydrophobicContact CG1-CD2 4.39Å |
| 128 | R | 92.2 | Very high | 85.4 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 136.5 | 160.7 | -70.3 | -174.7 | -176.5 | 146.6 | 8.7 | 108.7 | P137 L138 E199 W201 E205 | R128-P137 HydrophobicContact CB-CB 3.77Å; R128-P137 HydrophobicContact CG-CB 4.48Å; R128-L138 CarbonylContact C-O 3.49Å; R128-L138 WeakPolarHBondContact CA-O 3.47Å; R128-E199 HydrophobicContact CB-CB 4.4Å; R128-E199 PolarHBondContact N-O 3.03Å; R128-E199 PolarHBondContact O-N 3.46Å; R128-E199 VanDerWaalsContact O-N 3.09Å; R128-W201 HydrophobicContact CG-CD2 4.25Å; R128-W201 HydrophobicContact CG-CE3 3.29Å; R128-W201 HydrophobicContact CG-CZ3 3.63Å; R128-W201 VanDerWaalsContact NE-CZ3 3.34Å; R128-E205 IonicContact CZ-OE2 2.71Å; R128-E205 IonicContact NH1-OE2 2.93Å; R128-E205 PolarHBondContact NH1-OE2 2.7Å; R128-E205 IonicContact NH2-OE2 2.64Å; R128-E205 PolarHBondContact NH2-OE2 2.93Å |
| 129 | V | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 116.6 | -170.8 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | V127 L131 L138 V161 L163 V191 V193 K197 L198 | V127-V129 HydrophobicContact CG2-CG2 3.99Å; V129-L131 HydrophobicContact CG1-CD2 3.85Å; V129-L131 PolarHBondContact O-N 2.71Å; V129-L138 PolarHBondContact N-O 2.65Å; V129-L138 PolarHBondContact O-N 2.92Å; V129-V161 HydrophobicContact CG2-CG1 3.85Å; V129-L163 HydrophobicContact CB-CD2 4.1Å; V129-L163 HydrophobicContact CG1-CD2 4.43Å; V129-L163 HydrophobicContact CG2-CD2 3.96Å; V129-V191 HydrophobicContact CG1-CG2 4.31Å; V129-V193 HydrophobicContact CG1-CG1 4.27Å; V129-V193 HydrophobicContact CG1-CG2 4.42Å; V129-K197 WeakPolarHBondContact CA-O 3.32Å; V129-L198 HydrophobicContact CB-CD2 4.31Å; V129-L198 HydrophobicContact CG1-CD2 4.13Å; V129-L198 HydrophobicContact CG2-CD2 3.83Å |
| 130 | Q | 88.1 | Confident | 86.1 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | trans | -86.4 | 98.6 | 177.9 | -167.2 | 71.5 | 64.3 | 0 | 0 | 110.4 | R132 D135 K197 | Q130-R132 PolarHBondContact NE2-O 3.45Å; Q130-D135 PolarHBondContact NE2-O 3.15Å; Q130-K197 HydrophobicContact CB-CB 4.34Å; Q130-K197 HydrophobicContact CB-CD 3.98Å; Q130-K197 HydrophobicContact CG-CD 4.23Å; Q130-K197 PolarHBondContact N-O 3.29Å; Q130-K197 WeakPolarHBondContact O-CB 3.42Å; Q130-K197 VanDerWaalsContact O-CD 3.31Å; Q130-K197 WeakPolarHBondContact O-CD 3.42Å | ||
| 131 | L | 77.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -77.9 | -31.9 | 179.4 | -62.3 | -172.9 | 0 | 0 | 0 | 113.6 | V129 L138 L163 Q170 V191 | V129-L131 HydrophobicContact CG1-CD2 3.85Å; V129-L131 PolarHBondContact O-N 2.71Å; L131-L138 HydrophobicContact CD1-CD1 3.55Å; L131-L138 HydrophobicContact CG-CD1 4.02Å; L131-L163 HydrophobicContact CD1-CD1 4.02Å; L131-Q170 HydrophobicContact CD1-CB 3.87Å; L131-Q170 WeakPolarHBondContact CD1-O 3.24Å; L131-V191 HydrophobicContact CD2-CG1 3.95Å; L131-V191 HydrophobicContact CD2-CG2 4.42Å |
| 132 | R | 77.5 | Confident | 86.9 | Confident | 146 Ų | 146 | 55.1 Ų | 55.1 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -146.1 | 147 | 179.8 | -43.8 | -172.4 | -162.2 | 113.8 | 3 | 109.6 | Q130 G134 D135 | Q130-R132 PolarHBondContact NE2-O 3.45Å; R132-G134 PolarHBondContact O-N 3.22Å; R132-D135 WeakPolarHBondContact CB-OD2 3.43Å; R132-D135 VanDerWaalsContact CD-OD2 3.29Å; R132-D135 WeakPolarHBondContact CD-OD2 3.11Å; R132-D135 IonicContact CZ-OD2 3.64Å; R132-D135 IonicContact NE-OD2 2.67Å; R132-D135 IonicContact NH1-OD2 3.04Å; R132-D135 PolarHBondContact NH1-OD2 3.07Å; R132-D135 PolarHBondContact O-N 2.95Å |
| 133 | S | 69.5 | Low | 87 | Confident | 112 Ų | 112 | 56 Ų | 56 | 78% | 0.783 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 119.8 | 178.5 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 134 | G | 65.5 | Low | 87.1 | Confident | 80 Ų | 80 | 53.8 Ų | 53.8 | 83% | 0.825 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R132 | R132-G134 PolarHBondContact O-N 3.22Š|
| 135 | D | 76.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -83.9 | 163 | 159.9 | -69.6 | -24.5 | 0 | 0 | 0 | 108.9 | Q130 R132 | Q130-D135 PolarHBondContact NE2-O 3.15Å; R132-D135 WeakPolarHBondContact CB-OD2 3.43Å; R132-D135 VanDerWaalsContact CD-OD2 3.29Å; R132-D135 WeakPolarHBondContact CD-OD2 3.11Å; R132-D135 IonicContact CZ-OD2 3.64Å; R132-D135 IonicContact NE-OD2 2.67Å; R132-D135 IonicContact NH1-OD2 3.04Å; R132-D135 PolarHBondContact NH1-OD2 3.07Å; R132-D135 PolarHBondContact O-N 2.95Å |
| 136 | E | 81 | Confident | 86.9 | Confident | 173 Ų | 173 | 53.8 Ų | 53.8 | 81% | 0.808 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -74 | 146.5 | 176.2 | -70.3 | -176.3 | 140.2 | 0 | 0 | 112.5 | L138 | E136-L138 PolarHBondContact O-N 3.25Š|
| 137 | P | 87.5 | Confident | 86.6 | Confident | 50 Ų | 50 | 52 Ų | 52 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 120.3 | 177.7 | -19.9 | 31.7 | 0 | 0 | 0 | 113.1 | R128 | R128-P137 HydrophobicContact CB-CB 3.77Å; R128-P137 HydrophobicContact CG-CB 4.48Å |
| 138 | L | 91.2 | Very high | 85.9 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.12 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 144.1 | -173.3 | -64.4 | 169.9 | 0 | 0 | 0 | 113 | R128 V129 L131 E136 Q170 | R128-L138 CarbonylContact C-O 3.49Å; R128-L138 WeakPolarHBondContact CA-O 3.47Å; V129-L138 PolarHBondContact N-O 2.65Å; V129-L138 PolarHBondContact O-N 2.92Å; L131-L138 HydrophobicContact CD1-CD1 3.55Å; L131-L138 HydrophobicContact CG-CD1 4.02Å; E136-L138 PolarHBondContact O-N 3.25Å; L138-Q170 HydrophobicContact CD1-CB 4.18Å; L138-Q170 HydrophobicContact CD1-CG 4.39Å |
| 139 | P | 92.6 | Very high | 84.9 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 8% | 0.078 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 138.6 | 174.9 | 28.7 | -36.4 | 0 | 0 | 0 | 111.7 | L164 E166 W201 | P139-L164 HydrophobicContact CB-CB 4.02Å; P139-L164 HydrophobicContact CB-CD1 4.4Å; P139-L164 HydrophobicContact CG-CB 4.15Å; P139-L164 PolarHBondContact O-N 2.77Å; P139-E166 WeakPolarHBondContact CD-OE2 3.49Å; P139-E166 HydrophobicContact CG-CB 4.1Å; P139-E166 HydrophobicContact CG-CG 4.43Å; P139-E166 WeakPolarHBondContact CG-OE2 3.31Å; P139-W201 HydrophobicContact CB-CE3 4.17Å; P139-W201 HydrophobicContact CB-CH2 4.12Å; P139-W201 HydrophobicContact CB-CZ3 3.57Å |
| 140 | G | 93 | Very high | 83.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 166.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K126 V127 E162 | K126-G140 CarbonylContact C-O 3.55Å; K126-G140 WeakPolarHBondContact CA-O 3.35Å; V127-G140 PolarHBondContact N-O 2.99Å; V127-G140 PolarHBondContact O-N 2.92Å; G140-E162 CarbonylContact C-O 3.51Å; G140-E162 VanDerWaalsContact CA-O 3.25Å; G140-E162 WeakPolarHBondContact CA-O 3.18Å |
| 141 | V | 94.4 | Very high | 81.7 | Confident | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.7 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | S125 R143 V161 E162 L164 | S125-V141 WeakPolarHBondContact O-CA 3.48Å; V141-R143 PolarHBondContact O-N 3.43Å; V141-V161 WeakPolarHBondContact O-CG1 3.48Å; V141-E162 PolarHBondContact N-O 2.69Å; V141-E162 PolarHBondContact O-N 2.9Å; V141-L164 HydrophobicContact CG2-CD1 3.97Å; V141-L164 HydrophobicContact CG2-CD2 3.98Å; V141-L164 HydrophobicContact CG2-CG 4.16Å |
| 142 | V | 95.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 121.5 | 177.9 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | I121 C123 G124 S125 V127 F144 F159 V161 | I121-V142 HydrophobicContact CG2-CG2 3.74Å; C123-V142 CarbonylContact C-O 3.57Å; C123-V142 WeakPolarHBondContact CA-O 3.14Å; G124-V142 PolarHBondContact N-O 3.42Å; S125-V142 PolarHBondContact O-N 2.87Å; V127-V142 HydrophobicContact CG1-CG2 3.78Å; V127-V142 HydrophobicContact CG2-CG2 3.86Å; V142-F144 WeakPolarHBondContact CG1-O 3.47Å; V142-F159 HydrophobicContact CG1-CD1 4.11Å; V142-V161 HydrophobicContact CG2-CG2 4.25Å |
| 143 | R | 93 | Very high | 79.3 | Confident | 109 Ų | 109 | 65.4 Ų | 65.4 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -19.8 | 177.7 | -60.4 | -52.2 | -162.1 | -166.2 | 1.1 | 113.4 | V141 G160 E162 F183 | V141-R143 PolarHBondContact O-N 3.43Å; R143-G160 PolarHBondContact N-O 2.77Å; R143-E162 HydrophobicContact CG-CB 3.67Å; R143-E162 IonicContact CZ-OE2 2.78Å; R143-E162 IonicContact NE-OE2 3.69Å; R143-E162 PolarHBondContact NE-OE2 2.79Å; R143-E162 IonicContact NH2-OE2 2.87Å; R143-E162 PolarHBondContact NH2-OE2 2.84Å; R143-F183 HydrophobicContact CB-CB 3.56Å; R143-F183 HydrophobicContact CB-CD1 4.26Å; R143-F183 HydrophobicContact CB-CD2 3.47Å; R143-F183 VanDerWaalsContact CB-CD2 3.47Å; R143-F183 HydrophobicContact CB-CE2 4.14Å; R143-F183 HydrophobicContact CB-CG 3.53Å; R143-F183 HydrophobicContact CG-CD2 3.82Å; R143-F183 HydrophobicContact CG-CE2 4.29Å; R143-F183 HydrophobicContact CG-CG 4.39Å |
| 144 | F | 93 | Very high | 78.9 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 141.6 | 176.6 | 171.1 | -92.6 | 0 | 0 | 0 | 110.7 | C123 V142 G146 L148 F159 G160 L182 F183 F192 | C123-F144 VanDerWaalsContact SG-CA 3.58Å; V142-F144 WeakPolarHBondContact CG1-O 3.47Å; F144-G146 WeakPolarHBondContact CE1-O 3.28Å; F144-L148 HydrophobicContact CD1-CD2 4.33Å; F144-L148 HydrophobicContact CE1-CD2 3.65Å; F144-L148 HydrophobicContact CZ-CD2 4.22Å; F144-F159 CarbonylContact O-C 3.47Å; F144-F159 WeakPolarHBondContact O-CA 3.47Å; F144-G160 PolarHBondContact N-O 2.63Å; F144-G160 PolarHBondContact O-N 2.95Å; F144-L182 HydrophobicContact CD2-CB 3.86Å; F144-L182 HydrophobicContact CD2-CD1 4.47Å; F144-L182 HydrophobicContact CD2-CD2 4.48Å; F144-L182 HydrophobicContact CE1-CD1 4.21Å; F144-L182 HydrophobicContact CE2-CB 4.19Å; F144-L182 HydrophobicContact CE2-CD1 4.13Å; F144-L182 HydrophobicContact CE2-CD2 3.99Å; F144-L182 HydrophobicContact CE2-CG 4.34Å; F144-L182 HydrophobicContact CG-CB 4.2Å; F144-L182 HydrophobicContact CZ-CD1 3.99Å; F144-L182 HydrophobicContact CZ-CD2 4.47Å; F144-F183 HydrophobicContact CB-CD1 3.92Å; F144-F192 HydrophobicContact CD1-CD1 4.36Å; F144-F192 AromaticContact CD1-CE1 3.89Å; F144-F192 HydrophobicContact CD1-CE1 3.89Å; F144-F192 HydrophobicContact CE1-CE1 4.45Å; F144-F192 HydrophobicContact CG-CE1 4.38Å |
| 145 | K | 92.6 | Very high | 79 | Confident | 60 Ų | 60 | 61 Ų | 61 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 120.4 | 171.4 | 178.6 | -177.3 | -177.4 | 174.8 | 0 | 108.1 | R119 I121 D122 V157 W158 F159 | R119-K145 PolarHBondContact O-NZ 3.09Å; I121-K145 VanDerWaalsContact O-CD 3.26Å; I121-K145 WeakPolarHBondContact O-CD 3.41Å; I121-K145 WeakPolarHBondContact O-CE 3.39Å; I121-K145 PolarHBondContact O-NZ 3.4Å; D122-K145 WeakPolarHBondContact OD1-CD 3.39Å; D122-K145 WeakPolarHBondContact OD1-CE 3.3Å; D122-K145 IonicContact OD1-NZ 3.27Å; D122-K145 PolarHBondContact OD1-NZ 3.11Å; K145-V157 HydrophobicContact CG-CG1 3.73Å; K145-W158 WeakPolarHBondContact CA-O 3.35Å; K145-F159 HydrophobicContact CB-CD1 4.38Å; K145-F159 HydrophobicContact CB-CE1 4.49Å; K145-F159 HydrophobicContact CD-CE1 4.03Å; K145-F159 HydrophobicContact CG-CD1 4.21Å; K145-F159 HydrophobicContact CG-CE1 3.87Å |
| 146 | G | 87 | Confident | 79.4 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | -167.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F144 W158 | F144-G146 WeakPolarHBondContact CE1-O 3.28Å; G146-W158 PolarHBondContact N-O 2.88Å; G146-W158 PolarHBondContact O-N 2.86Å |
| 147 | S | 85.1 | Confident | 79.8 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | trans | -77.6 | 129.9 | -179.5 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | L149 S155 | S147-L149 VanDerWaalsContact C-N 3.33Å; S147-L149 VanDerWaalsContact OG-C 3.23Å; S147-L149 PolarHBondContact OG-N 3.05Å; S147-L149 PolarHBondContact OG-O 2.92Å; S147-S155 WeakPolarHBondContact OG-CB 3.36Å | ||
| 148 | L | 80.6 | Confident | 80 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -78.2 | -16.5 | 167.5 | -58.4 | 179.9 | 0 | 0 | 0 | 113 | F144 W158 Y177 L182 F192 | F144-L148 HydrophobicContact CD1-CD2 4.33Å; F144-L148 HydrophobicContact CE1-CD2 3.65Å; F144-L148 HydrophobicContact CZ-CD2 4.22Å; L148-W158 HydrophobicContact CD1-CB 3.81Å; L148-W158 HydrophobicContact CD1-CD2 3.62Å; L148-W158 HydrophobicContact CD1-CE3 4.05Å; L148-W158 HydrophobicContact CD1-CG 3.51Å; L148-W158 HydrophobicContact CD2-CB 4.34Å; L148-W158 HydrophobicContact CG-CB 3.74Å; L148-W158 HydrophobicContact CG-CD2 4.32Å; L148-W158 HydrophobicContact CG-CG 3.68Å; L148-Y177 HydrophobicContact CB-CD1 3.88Å; L148-Y177 HydrophobicContact CB-CE1 3.63Å; L148-Y177 HydrophobicContact CB-CE2 4.46Å; L148-Y177 HydrophobicContact CB-CG 4.4Å; L148-Y177 HydrophobicContact CD1-CD2 4.04Å; L148-Y177 HydrophobicContact CD1-CE2 3.85Å; L148-Y177 HydrophobicContact CD1-CG 4.45Å; L148-Y177 HydrophobicContact CD2-CD1 4.45Å; L148-Y177 HydrophobicContact CD2-CG 4.26Å; L148-L182 HydrophobicContact CD2-CD1 3.4Å; L148-L182 VanDerWaalsContact CD2-CD1 3.4Å; L148-F192 HydrophobicContact CD1-CB 4.18Å; L148-F192 HydrophobicContact CD1-CD1 4.25Å; L148-F192 HydrophobicContact CD1-CG 4.21Å; L148-F192 HydrophobicContact CD2-CD1 3.69Å; L148-F192 HydrophobicContact CD2-CE1 3.68Å; L148-F192 HydrophobicContact CD2-CG 4.32Å; L148-F192 HydrophobicContact CD2-CZ 4.31Å |
| 149 | L | 71.2 | Confident | 80.1 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 28% | 0.277 | 28% | 0.277 | S | S | . | . | trans | -128.3 | 86.5 | -176.4 | -63.3 | 177 | 0 | 0 | 0 | 110.1 | S147 D151 Y177 | S147-L149 VanDerWaalsContact C-N 3.33Å; S147-L149 VanDerWaalsContact OG-C 3.23Å; S147-L149 PolarHBondContact OG-N 3.05Å; S147-L149 PolarHBondContact OG-O 2.92Å; L149-D151 VanDerWaalsContact C-N 3.27Å; L149-D151 PolarHBondContact O-N 2.82Å; L149-Y177 HydrophobicContact CD2-CE1 4.17Å | ||
| 150 | P | 56.1 | Low | 80.1 | Confident | 93 Ų | 93 | 51.3 Ų | 51.3 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.8 | -173 | -23.3 | 35 | 0 | 0 | 0 | 115.6 | ||
| 151 | D | 54.4 | Low | 80.1 | Confident | 170 Ų | 170 | 51.2 Ų | 51.2 | 91% | 0.909 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 19.9 | -168.3 | -150.5 | 28.4 | 0 | 0 | 0 | 113.1 | L149 | L149-D151 VanDerWaalsContact C-N 3.27Å; L149-D151 PolarHBondContact O-N 2.82Å |
| 152 | R | 55.6 | Low | 80.1 | Confident | 178 Ų | 178 | 51.5 Ų | 51.5 | 67% | 0.672 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -105.1 | 139.8 | 171.2 | -74.6 | -169.9 | 174.6 | -166 | 1.1 | 110.5 | L154 | R152-L154 PolarHBondContact O-N 2.76Š|
| 153 | A | 50.2 | Low | 79.9 | Confident | 87 Ų | 87 | 51.6 Ų | 51.6 | 72% | 0.719 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -67.8 | -0.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W19 | W19-A153 VanDerWaalsContact CH2-O 3.22Å; W19-A153 WeakPolarHBondContact CH2-O 3.22Å |
| 154 | L | 60.9 | Low | 79.7 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -142 | 126.4 | 168.7 | -66.7 | 174.4 | 0 | 0 | 0 | 106.8 | W19 F21 L71 F97 R152 | W19-L154 HydrophobicContact CZ3-CD2 4.23Å; F21-L154 HydrophobicContact CE1-CD2 3.53Å; F21-L154 HydrophobicContact CZ-CD2 3.49Å; F21-L154 VanDerWaalsContact CZ-CD2 3.49Å; L71-L154 HydrophobicContact CD1-CD1 3.98Å; L71-L154 HydrophobicContact CD2-CD1 3.88Å; L71-L154 HydrophobicContact CG-CD1 4.47Å; F97-L154 HydrophobicContact CE1-CD1 4.39Å; F97-L154 HydrophobicContact CE2-CD2 4.5Å; F97-L154 HydrophobicContact CZ-CD1 4.18Å; F97-L154 HydrophobicContact CZ-CD2 4.31Å; R152-L154 PolarHBondContact O-N 2.76Å |
| 155 | S | 68.4 | Low | 79 | Confident | 47 Ų | 47 | 56 Ų | 56 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | trans | -133.6 | 103.2 | -171.2 | 58.2 | 0 | 0 | 0 | 0 | 111.5 | S147 | S147-S155 WeakPolarHBondContact OG-CB 3.36Š| ||
| 156 | G | 83.8 | Confident | 78.2 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | trans | -72.5 | 153.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E94 | E94-G156 CarbonylContact O-C 3.13Å; E94-G156 VanDerWaalsContact O-CA 3.26Å; E94-G156 WeakPolarHBondContact O-CA 3.26Å | ||
| 157 | V | 88.9 | Confident | 77.6 | Confident | 21 Ų | 21 | 59 Ų | 59 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | trans | -87.2 | 110.2 | 179.4 | 169.4 | 0 | 0 | 0 | 0 | 110 | E94 L95 K145 F159 | E94-V157 HydrophobicContact CB-CG2 4.03Å; E94-V157 PolarHBondContact O-N 2.81Å; L95-V157 HydrophobicContact CD2-CB 4.25Å; L95-V157 HydrophobicContact CD2-CG1 4.07Å; K145-V157 HydrophobicContact CG-CG1 3.73Å; V157-F159 HydrophobicContact CG1-CE2 4.18Å; V157-F159 HydrophobicContact CG1-CZ 4.13Å | ||
| 158 | W | 91.8 | Very high | 77.3 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 31% | 0.307 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 150.9 | 170.7 | -68.4 | 77.6 | 0 | 0 | 0 | 110.6 | P98 K145 G146 L148 | P98-W158 HydrophobicContact CB-CD2 4.19Å; P98-W158 HydrophobicContact CB-CH2 4.4Å; P98-W158 HydrophobicContact CB-CZ2 3.86Å; K145-W158 WeakPolarHBondContact CA-O 3.35Å; G146-W158 PolarHBondContact N-O 2.88Å; G146-W158 PolarHBondContact O-N 2.86Å; L148-W158 HydrophobicContact CD1-CB 3.81Å; L148-W158 HydrophobicContact CD1-CD2 3.62Å; L148-W158 HydrophobicContact CD1-CE3 4.05Å; L148-W158 HydrophobicContact CD1-CG 3.51Å; L148-W158 HydrophobicContact CD2-CB 4.34Å; L148-W158 HydrophobicContact CG-CB 3.74Å; L148-W158 HydrophobicContact CG-CD2 4.32Å; L148-W158 HydrophobicContact CG-CG 3.68Å |
| 159 | F | 93.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.3 | 175 | -62 | -92.4 | 0 | 0 | 0 | 108.9 | L95 I121 V142 F144 K145 V157 V161 F192 V193 L195 L198 | L95-F159 HydrophobicContact CD2-CE2 3.93Å; L95-F159 HydrophobicContact CD2-CZ 3.71Å; I121-F159 HydrophobicContact CB-CE1 4Å; I121-F159 HydrophobicContact CG2-CD1 3.9Å; I121-F159 HydrophobicContact CG2-CE1 3.59Å; I121-F159 HydrophobicContact CG2-CZ 4.46Å; V142-F159 HydrophobicContact CG1-CD1 4.11Å; F144-F159 CarbonylContact O-C 3.47Å; F144-F159 WeakPolarHBondContact O-CA 3.47Å; K145-F159 HydrophobicContact CB-CD1 4.38Å; K145-F159 HydrophobicContact CB-CE1 4.49Å; K145-F159 HydrophobicContact CD-CE1 4.03Å; K145-F159 HydrophobicContact CG-CD1 4.21Å; K145-F159 HydrophobicContact CG-CE1 3.87Å; V157-F159 HydrophobicContact CG1-CE2 4.18Å; V157-F159 HydrophobicContact CG1-CZ 4.13Å; F159-V161 HydrophobicContact CB-CG2 4.26Å; F159-F192 WeakPolarHBondContact O-CA 3.34Å; F159-V193 HydrophobicContact CB-CG2 4.36Å; F159-V193 PolarHBondContact N-O 2.87Å; F159-V193 PolarHBondContact O-N 2.85Å; F159-L195 HydrophobicContact CE2-CB 4.39Å; F159-L198 HydrophobicContact CB-CD1 3.46Å; F159-L198 VanDerWaalsContact CB-CD1 3.46Å; F159-L198 HydrophobicContact CD1-CD1 4Å; F159-L198 HydrophobicContact CD2-CD1 3.69Å; F159-L198 HydrophobicContact CE2-CD1 4.42Å; F159-L198 HydrophobicContact CG-CD1 3.44Å; F159-L198 VanDerWaalsContact CG-CD1 3.44Å |
| 160 | G | 93.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R143 F144 V191 F192 | R143-G160 PolarHBondContact N-O 2.77Å; F144-G160 PolarHBondContact N-O 2.63Å; F144-G160 PolarHBondContact O-N 2.95Å; G160-V191 CarbonylContact C-O 3.52Å; G160-V191 VanDerWaalsContact CA-O 3.3Å; G160-V191 WeakPolarHBondContact CA-O 3.37Å; G160-F192 VanDerWaalsContact CA-CD1 3.49Å |
| 161 | V | 93.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.5 | -172.8 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | V127 V129 V141 V142 F159 G190 V191 V193 L198 | V127-V161 HydrophobicContact CG2-CG1 3.76Å; V127-V161 HydrophobicContact CG2-CG2 4.4Å; V129-V161 HydrophobicContact CG2-CG1 3.85Å; V141-V161 WeakPolarHBondContact O-CG1 3.48Å; V142-V161 HydrophobicContact CG2-CG2 4.25Å; F159-V161 HydrophobicContact CB-CG2 4.26Å; V161-G190 WeakPolarHBondContact O-CA 3.31Å; V161-V191 HydrophobicContact CB-CG2 3.94Å; V161-V191 PolarHBondContact N-O 2.8Å; V161-V191 PolarHBondContact O-N 3.11Å; V161-V193 HydrophobicContact CG2-CG2 4.13Å; V161-L198 HydrophobicContact CG2-CD1 4.5Å; V161-L198 HydrophobicContact CG2-CD2 4.16Å |
| 162 | E | 94.2 | Very high | 79.1 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.8 | 166.8 | 174.1 | 172 | -138.4 | 0 | 0 | 108.3 | G140 V141 R143 F183 C185 | G140-E162 CarbonylContact C-O 3.51Å; G140-E162 VanDerWaalsContact CA-O 3.25Å; G140-E162 WeakPolarHBondContact CA-O 3.18Å; V141-E162 PolarHBondContact N-O 2.69Å; V141-E162 PolarHBondContact O-N 2.9Å; R143-E162 HydrophobicContact CG-CB 3.67Å; R143-E162 IonicContact CZ-OE2 2.78Å; R143-E162 IonicContact NE-OE2 3.69Å; R143-E162 PolarHBondContact NE-OE2 2.79Å; R143-E162 IonicContact NH2-OE2 2.87Å; R143-E162 PolarHBondContact NH2-OE2 2.84Å; E162-F183 HydrophobicContact CB-CE2 4.4Å; E162-C185 HydrophobicContact CB-CB 3.98Å; E162-C185 VanDerWaalsContact CD-CB 3.48Å; E162-C185 HydrophobicContact CG-CB 3.59Å; E162-C185 WeakPolarHBondContact OE1-CA 3.37Å; E162-C185 WeakPolarHBondContact OE1-CB 3.49Å |
| 163 | L | 91.5 | Very high | 80.2 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 138.5 | 178.7 | -59.3 | 175.2 | 0 | 0 | 0 | 110.3 | V129 L131 G167 Q170 C189 V191 | V129-L163 HydrophobicContact CB-CD2 4.1Å; V129-L163 HydrophobicContact CG1-CD2 4.43Å; V129-L163 HydrophobicContact CG2-CD2 3.96Å; L131-L163 HydrophobicContact CD1-CD1 4.02Å; L163-G167 WeakPolarHBondContact CB-O 3.15Å; L163-G167 VanDerWaalsContact CD1-O 3.24Å; L163-G167 WeakPolarHBondContact CD1-O 3.4Å; L163-Q170 HydrophobicContact CD1-CB 4.23Å; L163-C189 PolarHBondContact N-O 3.44Å; L163-V191 HydrophobicContact CD1-CG1 4.02Å; L163-V191 HydrophobicContact CD2-CG2 4.32Å; L163-V191 HydrophobicContact CG-CG1 4.48Å |
| 164 | L | 88.3 | Confident | 81.8 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | trans | -87.7 | -172.3 | 176 | -60.8 | -177.7 | 0 | 0 | 0 | 110.6 | P139 V141 E166 G167 R168 | P139-L164 HydrophobicContact CB-CB 4.02Å; P139-L164 HydrophobicContact CB-CD1 4.4Å; P139-L164 HydrophobicContact CG-CB 4.15Å; P139-L164 PolarHBondContact O-N 2.77Å; V141-L164 HydrophobicContact CG2-CD1 3.97Å; V141-L164 HydrophobicContact CG2-CD2 3.98Å; V141-L164 HydrophobicContact CG2-CG 4.16Å; L164-E166 PolarHBondContact O-N 2.96Å; L164-E166 VanDerWaalsContact O-N 3.09Å; L164-G167 CarbonylContact O-C 3.58Å; L164-G167 WeakPolarHBondContact O-CA 3.44Å; L164-G167 PolarHBondContact O-N 3.07Å; L164-R168 PolarHBondContact O-N 3.11Å | ||
| 165 | E | 77.7 | Confident | 82.8 | Confident | 171 Ų | 171 | 49.8 Ų | 49.8 | 80% | 0.799 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -44.9 | -50.4 | -157.8 | -56.2 | -165.4 | 165.2 | 0 | 0 | 115.3 | G167 R168 | E165-G167 VanDerWaalsContact C-N 3.33Å; E165-G167 PolarHBondContact O-N 3.32Å; E165-R168 WeakPolarHBondContact O-CB 3.38Å; E165-R168 PolarHBondContact O-N 3.32Å |
| 166 | E | 74.9 | Confident | 83.5 | Confident | 138 Ų | 138 | 49 Ų | 49 | 65% | 0.645 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -69.6 | -27.2 | -179.1 | -57.6 | 172.5 | 146.2 | 0 | 0 | 113.6 | P139 L164 Q170 | P139-E166 WeakPolarHBondContact CD-OE2 3.49Å; P139-E166 HydrophobicContact CG-CB 4.1Å; P139-E166 HydrophobicContact CG-CG 4.43Å; P139-E166 WeakPolarHBondContact CG-OE2 3.31Å; L164-E166 PolarHBondContact O-N 2.96Å; L164-E166 VanDerWaalsContact O-N 3.09Å; E166-Q170 PolarHBondContact O-NE2 2.98Å |
| 167 | G | 74.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -95.8 | -1.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L163 L164 E165 G169 Q170 | L163-G167 WeakPolarHBondContact CB-O 3.15Å; L163-G167 VanDerWaalsContact CD1-O 3.24Å; L163-G167 WeakPolarHBondContact CD1-O 3.4Å; L164-G167 CarbonylContact O-C 3.58Å; L164-G167 WeakPolarHBondContact O-CA 3.44Å; L164-G167 PolarHBondContact O-N 3.07Å; E165-G167 VanDerWaalsContact C-N 3.33Å; E165-G167 PolarHBondContact O-N 3.32Å; G167-G169 PolarHBondContact O-N 3.36Å; G167-Q170 WeakPolarHBondContact O-CB 3.38Å; G167-Q170 PolarHBondContact O-N 3.43Å |
| 168 | R | 78.4 | Confident | 82.6 | Confident | 114 Ų | 114 | 57.9 Ų | 57.9 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 133.2 | 176.4 | -73.8 | -179.3 | 164.9 | -121.2 | -15 | 110.8 | L164 E165 Q170 E186 | L164-R168 PolarHBondContact O-N 3.11Å; E165-R168 WeakPolarHBondContact O-CB 3.38Å; E165-R168 PolarHBondContact O-N 3.32Å; R168-Q170 VanDerWaalsContact C-N 3.25Å; R168-Q170 PolarHBondContact O-N 3.16Å; R168-E186 IonicContact CZ-OE1 2.73Å; R168-E186 VanDerWaalsContact CZ-OE1 3.23Å; R168-E186 IonicContact CZ-OE2 3.41Å; R168-E186 IonicContact NH1-OE1 3.55Å; R168-E186 PolarHBondContact NH1-OE1 2.75Å; R168-E186 IonicContact NH1-OE2 2.68Å; R168-E186 PolarHBondContact NH1-OE2 2.94Å; R168-E186 IonicContact NH2-OE1 3.13Å; R168-E186 PolarHBondContact NH2-OE1 3.4Å; R168-E186 IonicContact NH2-OE2 3.13Å |
| 169 | G | 73 | Confident | 81.7 | Confident | 42 Ų | 42 | 58 Ų | 58 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 4.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G167 E188 | G167-G169 PolarHBondContact O-N 3.36Å; G169-E188 CarbonylContact C-O 3.55Å; G169-E188 VanDerWaalsContact C-O 3.25Å; G169-E188 WeakPolarHBondContact CA-O 3.3Å; G169-E188 PolarHBondContact N-O 3.12Å; G169-E188 VanDerWaalsContact N-O 3.1Å |
| 170 | Q | 77.3 | Confident | 81.1 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 36% | 0.36 | 33% | 0.332 | S | S | . | . | trans | -101.2 | -5.9 | 174.6 | -51.5 | -156.9 | 55.9 | 0 | 0 | 113.3 | L131 L138 L163 E166 G167 R168 E188 | L131-Q170 HydrophobicContact CD1-CB 3.87Å; L131-Q170 WeakPolarHBondContact CD1-O 3.24Å; L138-Q170 HydrophobicContact CD1-CB 4.18Å; L138-Q170 HydrophobicContact CD1-CG 4.39Å; L163-Q170 HydrophobicContact CD1-CB 4.23Å; E166-Q170 PolarHBondContact O-NE2 2.98Å; G167-Q170 WeakPolarHBondContact O-CB 3.38Å; G167-Q170 PolarHBondContact O-N 3.43Å; R168-Q170 VanDerWaalsContact C-N 3.25Å; R168-Q170 PolarHBondContact O-N 3.16Å; Q170-E188 PolarHBondContact N-O 2.86Å | ||
| 171 | G | 74.4 | Confident | 80.7 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | trans | -82.7 | 172.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E188 G190 | G171-E188 VanDerWaalsContact CA-O 3.25Å; G171-E188 WeakPolarHBondContact CA-O 3.11Å; G171-E188 PolarHBondContact N-O 3.22Å; G171-G190 CarbonylContact C-O 2.98Å; G171-G190 WeakPolarHBondContact CA-O 3.28Å | ||
| 172 | F | 76.8 | Confident | 80.3 | Confident | 137 Ų | 137 | 70.4 Ų | 70.4 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -133.2 | 11.2 | -171.2 | 52.2 | -101.4 | 0 | 0 | 0 | 113.9 | G190 V191 | F172-G190 PolarHBondContact N-O 3.02Å; F172-V191 HydrophobicContact CD1-CB 4.4Å; F172-V191 HydrophobicContact CD1-CG1 3.77Å; F172-V191 HydrophobicContact CE1-CB 3.73Å; F172-V191 HydrophobicContact CE1-CG1 3.49Å; F172-V191 VanDerWaalsContact CE1-CG1 3.49Å; F172-V191 HydrophobicContact CZ-CB 3.79Å; F172-V191 HydrophobicContact CZ-CG1 4.07Å |
| 173 | T | 79.3 | Confident | 80.2 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -150.7 | 154.1 | 173 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | G175 S176 G190 F192 | T173-G175 PolarHBondContact O-N 3.49Å; T173-G175 PolarHBondContact OG1-N 3.36Å; T173-S176 PolarHBondContact OG1-N 3.2Å; T173-S176 PolarHBondContact OG1-O 3.1Å; T173-G190 VanDerWaalsContact CG2-O 3.3Å; T173-G190 WeakPolarHBondContact CG2-O 3.4Å; T173-G190 PolarHBondContact N-O 3.05Å; T173-G190 CarbonylContact O-C 3.55Å; T173-G190 WeakPolarHBondContact O-CA 3.23Å; T173-G190 PolarHBondContact O-N 3.43Å; T173-F192 HydrophobicContact CG2-CD2 3.83Å; T173-F192 HydrophobicContact CG2-CE2 3.8Å |
| 174 | E | 83.8 | Confident | 79.9 | Confident | 93 Ų | 93 | 79.8 Ų | 79.8 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -76.4 | 2.3 | 166 | 60.8 | 177.7 | 155.6 | 0 | 0 | 113 | S176 Q181 R184 C185 | E174-S176 VanDerWaalsContact CG-OG 3.26Å; E174-S176 WeakPolarHBondContact CG-OG 3.4Å; E174-S176 WeakPolarHBondContact OE1-CB 3.36Å; E174-S176 PolarHBondContact OE1-OG 3.38Å; E174-Q181 PolarHBondContact O-NE2 2.97Å; E174-R184 WeakPolarHBondContact O-CA 3.17Å; E174-C185 PolarHBondContact O-N 2.95Å; E174-C185 PolarHBondContact O-SG 3.33Å; E174-C185 VanDerWaalsContact O-SG 3.32Å |
| 175 | G | 81.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.385 | C | S | . | . | S | Bend | trans | 97.1 | 15.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T173 L182 F183 | T173-G175 PolarHBondContact O-N 3.49Å; T173-G175 PolarHBondContact OG1-N 3.36Å; G175-L182 PolarHBondContact O-N 2.6Å; G175-F183 CarbonylContact C-O 3.54Å; G175-F183 WeakPolarHBondContact CA-O 3.39Å; G175-F183 PolarHBondContact O-N 2.92Å; G175-F183 VanDerWaalsContact O-O 3.12Å |
| 176 | S | 82.6 | Confident | 79.8 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 21% | 0.21 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 143.6 | 173.5 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | T173 E174 R180 | T173-S176 PolarHBondContact OG1-N 3.2Å; T173-S176 PolarHBondContact OG1-O 3.1Å; E174-S176 VanDerWaalsContact CG-OG 3.26Å; E174-S176 WeakPolarHBondContact CG-OG 3.4Å; E174-S176 WeakPolarHBondContact OE1-CB 3.36Å; E174-S176 PolarHBondContact OE1-OG 3.38Å; S176-R180 WeakPolarHBondContact CA-O 3.44Å |
| 177 | Y | 78.6 | Confident | 79.7 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 128.2 | 176.8 | -174.8 | -92.9 | 0 | 0 | 0 | 109.8 | L148 L149 G179 R180 F192 | L148-Y177 HydrophobicContact CB-CD1 3.88Å; L148-Y177 HydrophobicContact CB-CE1 3.63Å; L148-Y177 HydrophobicContact CB-CE2 4.46Å; L148-Y177 HydrophobicContact CB-CG 4.4Å; L148-Y177 HydrophobicContact CD1-CD2 4.04Å; L148-Y177 HydrophobicContact CD1-CE2 3.85Å; L148-Y177 HydrophobicContact CD1-CG 4.45Å; L148-Y177 HydrophobicContact CD2-CD1 4.45Å; L148-Y177 HydrophobicContact CD2-CG 4.26Å; L149-Y177 HydrophobicContact CD2-CE1 4.17Å; Y177-G179 PolarHBondContact O-N 3.15Å; Y177-G179 VanDerWaalsContact O-N 3.16Å; Y177-R180 PolarHBondContact N-O 2.9Å; Y177-R180 WeakPolarHBondContact O-CB 3.44Å; Y177-R180 PolarHBondContact O-N 2.92Å; Y177-F192 HydrophobicContact CD2-CD2 4.31Å; Y177-F192 HydrophobicContact CD2-CE2 4.46Å |
| 178 | Q | 75.3 | Confident | 79.7 | Confident | 148 Ų | 148 | 80.1 Ų | 80.1 | 69% | 0.692 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 41.2 | -177.1 | -67 | -178.9 | -2.2 | 0 | 0 | 113.8 | R180 | Q178-R180 PolarHBondContact O-N 3.02Š|
| 179 | G | 73.3 | Confident | 80 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 88% | 0.876 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 1.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y177 | Y177-G179 PolarHBondContact O-N 3.15Å; Y177-G179 VanDerWaalsContact O-N 3.16Å |
| 180 | R | 79.6 | Confident | 80.5 | Confident | 151 Ų | 151 | 72.9 Ų | 72.9 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.5 | 172.8 | 179.5 | 178.2 | 175.9 | -172.2 | -2 | 110 | S176 Y177 Q178 L182 | S176-R180 WeakPolarHBondContact CA-O 3.44Å; Y177-R180 PolarHBondContact N-O 2.9Å; Y177-R180 WeakPolarHBondContact O-CB 3.44Å; Y177-R180 PolarHBondContact O-N 2.92Å; Q178-R180 PolarHBondContact O-N 3.02Å; R180-L182 HydrophobicContact CG-CD2 3.98Å; R180-L182 PolarHBondContact O-N 2.83Å |
| 181 | Q | 86.4 | Confident | 81.2 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 129.2 | 167 | -150.5 | 76.4 | 31.2 | 0 | 0 | 109.8 | E174 F183 R184 | E174-Q181 PolarHBondContact O-NE2 2.97Å; Q181-F183 VanDerWaalsContact CG-O 3.25Å; Q181-F183 WeakPolarHBondContact CG-O 3.34Å; Q181-F183 PolarHBondContact NE2-O 2.83Å; Q181-R184 HydrophobicContact CG-CG 4.14Å |
| 182 | L | 85.3 | Confident | 82 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 18% | 0.183 | 34% | 0.341 | C | S | . | . | trans | -113.8 | -37.5 | 175.4 | -63.2 | 179.4 | 0 | 0 | 0 | 111.4 | F144 L148 G175 R180 F192 | F144-L182 HydrophobicContact CD2-CB 3.86Å; F144-L182 HydrophobicContact CD2-CD1 4.47Å; F144-L182 HydrophobicContact CD2-CD2 4.48Å; F144-L182 HydrophobicContact CE1-CD1 4.21Å; F144-L182 HydrophobicContact CE2-CB 4.19Å; F144-L182 HydrophobicContact CE2-CD1 4.13Å; F144-L182 HydrophobicContact CE2-CD2 3.99Å; F144-L182 HydrophobicContact CE2-CG 4.34Å; F144-L182 HydrophobicContact CG-CB 4.2Å; F144-L182 HydrophobicContact CZ-CD1 3.99Å; F144-L182 HydrophobicContact CZ-CD2 4.47Å; L148-L182 HydrophobicContact CD2-CD1 3.4Å; L148-L182 VanDerWaalsContact CD2-CD1 3.4Å; G175-L182 PolarHBondContact O-N 2.6Å; R180-L182 HydrophobicContact CG-CD2 3.98Å; R180-L182 PolarHBondContact O-N 2.83Å; L182-F192 HydrophobicContact CB-CE1 4.42Å; L182-F192 HydrophobicContact CB-CZ 4.13Å; L182-F192 HydrophobicContact CD1-CE1 3.91Å; L182-F192 HydrophobicContact CD1-CZ 3.81Å; L182-F192 HydrophobicContact CG-CZ 4.46Å | ||
| 183 | F | 91.2 | Very high | 82.7 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | trans | -142.6 | -178 | 165.6 | 66.7 | -83.4 | 0 | 0 | 0 | 110.7 | R143 F144 E162 G175 Q181 C185 F192 | R143-F183 HydrophobicContact CB-CB 3.56Å; R143-F183 HydrophobicContact CB-CD1 4.26Å; R143-F183 HydrophobicContact CB-CD2 3.47Å; R143-F183 VanDerWaalsContact CB-CD2 3.47Å; R143-F183 HydrophobicContact CB-CE2 4.14Å; R143-F183 HydrophobicContact CB-CG 3.53Å; R143-F183 HydrophobicContact CG-CD2 3.82Å; R143-F183 HydrophobicContact CG-CE2 4.29Å; R143-F183 HydrophobicContact CG-CG 4.39Å; F144-F183 HydrophobicContact CB-CD1 3.92Å; E162-F183 HydrophobicContact CB-CE2 4.4Å; G175-F183 CarbonylContact C-O 3.54Å; G175-F183 WeakPolarHBondContact CA-O 3.39Å; G175-F183 PolarHBondContact O-N 2.92Å; G175-F183 VanDerWaalsContact O-O 3.12Å; Q181-F183 VanDerWaalsContact CG-O 3.25Å; Q181-F183 WeakPolarHBondContact CG-O 3.34Å; Q181-F183 PolarHBondContact NE2-O 2.83Å; F183-C185 HydrophobicContact CD2-CB 4.38Å; F183-C185 HydrophobicContact CE2-CB 4.11Å; F183-F192 HydrophobicContact CD1-CE1 4.1Å; F183-F192 AromaticContact CD1-CZ 3.98Å; F183-F192 HydrophobicContact CD1-CZ 3.98Å; F183-F192 HydrophobicContact CE1-CD1 4.36Å; F183-F192 AromaticContact CE1-CE1 3.67Å; F183-F192 HydrophobicContact CE1-CE1 3.67Å; F183-F192 HydrophobicContact CE1-CE2 4.21Å; F183-F192 AromaticContact CE1-CZ 3.57Å; F183-F192 HydrophobicContact CE1-CZ 3.57Å | ||
| 184 | R | 85.1 | Confident | 83.3 | Confident | 203 Ų | 203 | 63.2 Ų | 63.2 | 77% | 0.766 | 31% | 0.314 | S | S | * | . | trans | -130.6 | 144.8 | 170.3 | -71.8 | -178.2 | 179.6 | 146.5 | -0.2 | 109.5 | E174 Q181 | E174-R184 WeakPolarHBondContact O-CA 3.17Å; Q181-R184 HydrophobicContact CG-CG 4.14Å | ||
| 185 | C | 86.5 | Confident | 83.6 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | trans | -150.3 | -178.6 | 174.6 | 53.5 | 0 | 0 | 0 | 0 | 108.5 | E162 E174 F183 G190 | E162-C185 HydrophobicContact CB-CB 3.98Å; E162-C185 VanDerWaalsContact CD-CB 3.48Å; E162-C185 HydrophobicContact CG-CB 3.59Å; E162-C185 WeakPolarHBondContact OE1-CA 3.37Å; E162-C185 WeakPolarHBondContact OE1-CB 3.49Å; E174-C185 PolarHBondContact O-N 2.95Å; E174-C185 PolarHBondContact O-SG 3.33Å; E174-C185 VanDerWaalsContact O-SG 3.32Å; F183-C185 HydrophobicContact CD2-CB 4.38Å; F183-C185 HydrophobicContact CE2-CB 4.11Å; C185-G190 WeakPolarHBondContact SG-CA 3.31Å; C185-G190 PolarHBondContact SG-N 3.15Å; C185-G190 VanDerWaalsContact SG-N 3.38Å | ||
| 186 | E | 78.4 | Confident | 84 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -71.4 | 160.5 | 169 | -70.9 | 174.1 | -129.6 | 0 | 0 | 111.9 | R168 E188 C189 | R168-E186 IonicContact CZ-OE1 2.73Å; R168-E186 VanDerWaalsContact CZ-OE1 3.23Å; R168-E186 IonicContact CZ-OE2 3.41Å; R168-E186 IonicContact NH1-OE1 3.55Å; R168-E186 PolarHBondContact NH1-OE1 2.75Å; R168-E186 IonicContact NH1-OE2 2.68Å; R168-E186 PolarHBondContact NH1-OE2 2.94Å; R168-E186 IonicContact NH2-OE1 3.13Å; R168-E186 PolarHBondContact NH2-OE1 3.4Å; R168-E186 IonicContact NH2-OE2 3.13Å; E186-E188 PolarHBondContact O-N 2.99Å; E186-C189 HydrophobicContact CB-CB 4.33Å; E186-C189 WeakPolarHBondContact O-CB 3.4Å; E186-C189 PolarHBondContact O-N 2.89Å; E186-C189 VanDerWaalsContact O-N 3.14Å |
| 187 | D | 71.9 | Confident | 84.4 | Confident | 135 Ų | 135 | 60.8 Ų | 60.8 | 72% | 0.722 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 139 | 178.9 | -69.1 | -21.5 | 0 | 0 | 0 | 110.9 | C189 | D187-C189 PolarHBondContact O-N 3.49Å; D187-C189 PolarHBondContact O-SG 3.04Å |
| 188 | E | 75 | Confident | 84.9 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 24.5 | -178 | -58.8 | -176.8 | 149.7 | 0 | 0 | 114.2 | G169 Q170 G171 E186 | G169-E188 CarbonylContact C-O 3.55Å; G169-E188 VanDerWaalsContact C-O 3.25Å; G169-E188 WeakPolarHBondContact CA-O 3.3Å; G169-E188 PolarHBondContact N-O 3.12Å; G169-E188 VanDerWaalsContact N-O 3.1Å; Q170-E188 PolarHBondContact N-O 2.86Å; G171-E188 VanDerWaalsContact CA-O 3.25Å; G171-E188 WeakPolarHBondContact CA-O 3.11Å; G171-E188 PolarHBondContact N-O 3.22Å; E186-E188 PolarHBondContact O-N 2.99Å |
| 189 | C | 84.3 | Confident | 85.5 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | trans | -111.5 | -10.9 | 177.2 | -60.5 | 0 | 0 | 0 | 0 | 114.5 | L163 E186 D187 | L163-C189 PolarHBondContact N-O 3.44Å; E186-C189 HydrophobicContact CB-CB 4.33Å; E186-C189 WeakPolarHBondContact O-CB 3.4Å; E186-C189 PolarHBondContact O-N 2.89Å; E186-C189 VanDerWaalsContact O-N 3.14Å; D187-C189 PolarHBondContact O-N 3.49Å; D187-C189 PolarHBondContact O-SG 3.04Å | ||
| 190 | G | 85.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V161 G171 F172 T173 C185 | V161-G190 WeakPolarHBondContact O-CA 3.31Å; G171-G190 CarbonylContact C-O 2.98Å; G171-G190 WeakPolarHBondContact CA-O 3.28Å; F172-G190 PolarHBondContact N-O 3.02Å; T173-G190 VanDerWaalsContact CG2-O 3.3Å; T173-G190 WeakPolarHBondContact CG2-O 3.4Å; T173-G190 PolarHBondContact N-O 3.05Å; T173-G190 CarbonylContact O-C 3.55Å; T173-G190 WeakPolarHBondContact O-CA 3.23Å; T173-G190 PolarHBondContact O-N 3.43Å; C185-G190 WeakPolarHBondContact SG-CA 3.31Å; C185-G190 PolarHBondContact SG-N 3.15Å; C185-G190 VanDerWaalsContact SG-N 3.38Å |
| 191 | V | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 155.9 | 171.7 | -62 | 0 | 0 | 0 | 0 | 111.2 | V129 L131 G160 V161 L163 F172 V193 | V129-V191 HydrophobicContact CG1-CG2 4.31Å; L131-V191 HydrophobicContact CD2-CG1 3.95Å; L131-V191 HydrophobicContact CD2-CG2 4.42Å; G160-V191 CarbonylContact C-O 3.52Å; G160-V191 VanDerWaalsContact CA-O 3.3Å; G160-V191 WeakPolarHBondContact CA-O 3.37Å; V161-V191 HydrophobicContact CB-CG2 3.94Å; V161-V191 PolarHBondContact N-O 2.8Å; V161-V191 PolarHBondContact O-N 3.11Å; L163-V191 HydrophobicContact CD1-CG1 4.02Å; L163-V191 HydrophobicContact CD2-CG2 4.32Å; L163-V191 HydrophobicContact CG-CG1 4.48Å; F172-V191 HydrophobicContact CD1-CB 4.4Å; F172-V191 HydrophobicContact CD1-CG1 3.77Å; F172-V191 HydrophobicContact CE1-CB 3.73Å; F172-V191 HydrophobicContact CE1-CG1 3.49Å; F172-V191 VanDerWaalsContact CE1-CG1 3.49Å; F172-V191 HydrophobicContact CZ-CB 3.79Å; F172-V191 HydrophobicContact CZ-CG1 4.07Å; V191-V193 HydrophobicContact CB-CG1 4.41Å; V191-V193 HydrophobicContact CG2-CG1 4.14Å |
| 192 | F | 91 | Very high | 85.6 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.5 | 165.1 | -71.5 | -75.5 | 0 | 0 | 0 | 109.3 | F144 L148 F159 G160 T173 Y177 L182 F183 | F144-F192 HydrophobicContact CD1-CD1 4.36Å; F144-F192 AromaticContact CD1-CE1 3.89Å; F144-F192 HydrophobicContact CD1-CE1 3.89Å; F144-F192 HydrophobicContact CE1-CE1 4.45Å; F144-F192 HydrophobicContact CG-CE1 4.38Å; L148-F192 HydrophobicContact CD1-CB 4.18Å; L148-F192 HydrophobicContact CD1-CD1 4.25Å; L148-F192 HydrophobicContact CD1-CG 4.21Å; L148-F192 HydrophobicContact CD2-CD1 3.69Å; L148-F192 HydrophobicContact CD2-CE1 3.68Å; L148-F192 HydrophobicContact CD2-CG 4.32Å; L148-F192 HydrophobicContact CD2-CZ 4.31Å; F159-F192 WeakPolarHBondContact O-CA 3.34Å; G160-F192 VanDerWaalsContact CA-CD1 3.49Å; T173-F192 HydrophobicContact CG2-CD2 3.83Å; T173-F192 HydrophobicContact CG2-CE2 3.8Å; Y177-F192 HydrophobicContact CD2-CD2 4.31Å; Y177-F192 HydrophobicContact CD2-CE2 4.46Å; L182-F192 HydrophobicContact CB-CE1 4.42Å; L182-F192 HydrophobicContact CB-CZ 4.13Å; L182-F192 HydrophobicContact CD1-CE1 3.91Å; L182-F192 HydrophobicContact CD1-CZ 3.81Å; L182-F192 HydrophobicContact CG-CZ 4.46Å; F183-F192 HydrophobicContact CD1-CE1 4.1Å; F183-F192 AromaticContact CD1-CZ 3.98Å; F183-F192 HydrophobicContact CD1-CZ 3.98Å; F183-F192 HydrophobicContact CE1-CD1 4.36Å; F183-F192 AromaticContact CE1-CE1 3.67Å; F183-F192 HydrophobicContact CE1-CE1 3.67Å; F183-F192 HydrophobicContact CE1-CE2 4.21Å; F183-F192 AromaticContact CE1-CZ 3.57Å; F183-F192 HydrophobicContact CE1-CZ 3.57Å |
| 193 | V | 91.6 | Very high | 84.1 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 161.2 | -173.9 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | V129 F159 V161 V191 K197 L198 | V129-V193 HydrophobicContact CG1-CG1 4.27Å; V129-V193 HydrophobicContact CG1-CG2 4.42Å; F159-V193 HydrophobicContact CB-CG2 4.36Å; F159-V193 PolarHBondContact N-O 2.87Å; F159-V193 PolarHBondContact O-N 2.85Å; V161-V193 HydrophobicContact CG2-CG2 4.13Å; V191-V193 HydrophobicContact CB-CG1 4.41Å; V191-V193 HydrophobicContact CG2-CG1 4.14Å; V193-K197 HydrophobicContact CB-CB 4.29Å; V193-K197 HydrophobicContact CG1-CB 4.49Å; V193-L198 HydrophobicContact CG2-CD1 4.02Å; V193-L198 HydrophobicContact CG2-CD2 3.74Å; V193-L198 HydrophobicContact CG2-CG 3.73Å |
| 194 | A | 91.7 | Very high | 82.3 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | trans | -96.8 | 168.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | P98 I99 D196 K197 | P98-A194 HydrophobicContact CB-CB 3.63Å; I99-A194 HydrophobicContact CG1-CB 4.41Å; A194-D196 VanDerWaalsContact C-N 3.26Å; A194-D196 WeakPolarHBondContact CB-OD1 3.18Å; A194-D196 PolarHBondContact O-N 2.89Å; A194-K197 PolarHBondContact O-N 3.36Å; A194-K197 VanDerWaalsContact O-N 3.09Å | ||
| 195 | L | 90.9 | Very high | 80.7 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -64.4 | -27.3 | -171 | 178.7 | 59.8 | 0 | 0 | 0 | 114 | L95 I99 L115 A118 I121 F159 K197 L198 | L95-L195 HydrophobicContact CB-CD2 4.07Å; L95-L195 HydrophobicContact CD1-CD2 4.47Å; I99-L195 HydrophobicContact CD1-CB 4.47Å; L115-L195 HydrophobicContact CD2-CD2 3.94Å; A118-L195 HydrophobicContact CB-CD1 3.49Å; A118-L195 VanDerWaalsContact CB-CD1 3.49Å; A118-L195 HydrophobicContact CB-CD2 3.49Å; A118-L195 VanDerWaalsContact CB-CD2 3.49Å; A118-L195 HydrophobicContact CB-CG 4.1Å; I121-L195 HydrophobicContact CD1-CD1 4.06Å; F159-L195 HydrophobicContact CE2-CB 4.39Å; L195-K197 PolarHBondContact O-N 3.5Å; L195-K197 VanDerWaalsContact O-N 3.15Å; L195-L198 PolarHBondContact O-N 2.97Å; L195-L198 VanDerWaalsContact O-N 3.14Å |
| 196 | D | 89.2 | Confident | 78.7 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -64.2 | -9.1 | 173.8 | 55.9 | -65.1 | 0 | 0 | 0 | 114.7 | I99 L108 A194 | I99-D196 HydrophobicContact CD1-CB 4.15Å; I99-D196 HydrophobicContact CG1-CB 4.4Å; I99-D196 WeakPolarHBondContact CG1-OD1 3.37Å; I99-D196 HydrophobicContact CG2-CB 3.89Å; L108-D196 HydrophobicContact CD1-CB 3.68Å; A194-D196 VanDerWaalsContact C-N 3.26Å; A194-D196 WeakPolarHBondContact CB-OD1 3.18Å; A194-D196 PolarHBondContact O-N 2.89Å |
| 197 | K | 90.5 | Very high | 77 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -117.5 | 14.1 | 176.2 | -57.5 | -64.9 | 162.8 | -74.9 | 0 | 112.5 | E104 V129 Q130 V193 A194 L195 | E104-K197 IonicContact OE2-NZ 3.23Å; E104-K197 PolarHBondContact OE2-NZ 3.33Å; V129-K197 WeakPolarHBondContact CA-O 3.32Å; Q130-K197 HydrophobicContact CB-CB 4.34Å; Q130-K197 HydrophobicContact CB-CD 3.98Å; Q130-K197 HydrophobicContact CG-CD 4.23Å; Q130-K197 PolarHBondContact N-O 3.29Å; Q130-K197 WeakPolarHBondContact O-CB 3.42Å; Q130-K197 VanDerWaalsContact O-CD 3.31Å; Q130-K197 WeakPolarHBondContact O-CD 3.42Å; V193-K197 HydrophobicContact CB-CB 4.29Å; V193-K197 HydrophobicContact CG1-CB 4.49Å; A194-K197 PolarHBondContact O-N 3.36Å; A194-K197 VanDerWaalsContact O-N 3.09Å; L195-K197 PolarHBondContact O-N 3.5Å; L195-K197 VanDerWaalsContact O-N 3.15Å |
| 198 | L | 89.9 | Confident | 75.7 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 142.5 | 178.1 | -70.6 | -174.4 | 0 | 0 | 0 | 113.8 | R114 V127 V129 F159 V161 V193 L195 | R114-L198 PolarHBondContact NH2-O 3.19Å; V127-L198 HydrophobicContact CB-CD2 4.17Å; V127-L198 HydrophobicContact CG2-CD2 3.99Å; V129-L198 HydrophobicContact CB-CD2 4.31Å; V129-L198 HydrophobicContact CG1-CD2 4.13Å; V129-L198 HydrophobicContact CG2-CD2 3.83Å; F159-L198 HydrophobicContact CB-CD1 3.46Å; F159-L198 VanDerWaalsContact CB-CD1 3.46Å; F159-L198 HydrophobicContact CD1-CD1 4Å; F159-L198 HydrophobicContact CD2-CD1 3.69Å; F159-L198 HydrophobicContact CE2-CD1 4.42Å; F159-L198 HydrophobicContact CG-CD1 3.44Å; F159-L198 VanDerWaalsContact CG-CD1 3.44Å; V161-L198 HydrophobicContact CG2-CD1 4.5Å; V161-L198 HydrophobicContact CG2-CD2 4.16Å; V193-L198 HydrophobicContact CG2-CD1 4.02Å; V193-L198 HydrophobicContact CG2-CD2 3.74Å; V193-L198 HydrophobicContact CG2-CG 3.73Å; L195-L198 PolarHBondContact O-N 2.97Å; L195-L198 VanDerWaalsContact O-N 3.14Å |
| 199 | E | 87.2 | Confident | 74 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.3 | 172.7 | -66.3 | 174.8 | -176.1 | 0 | 0 | 108.3 | R114 V127 R128 | R114-E199 IonicContact CZ-OE1 2.76Å; R114-E199 IonicContact NH1-OE1 3.57Å; R114-E199 PolarHBondContact NH1-OE1 3.47Å; R114-E199 IonicContact NH2-OE1 3.47Å; R114-E199 PolarHBondContact NH2-OE1 2.87Å; V127-E199 CarbonylContact C-O 3.54Å; V127-E199 WeakPolarHBondContact CA-O 3.29Å; V127-E199 VanDerWaalsContact CB-O 3.26Å; V127-E199 WeakPolarHBondContact CB-O 3.48Å; R128-E199 HydrophobicContact CB-CB 4.4Å; R128-E199 PolarHBondContact N-O 3.03Å; R128-E199 PolarHBondContact O-N 3.46Å; R128-E199 VanDerWaalsContact O-N 3.09Å |
| 200 | L | 85.3 | Confident | 71.9 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 142.1 | 175 | -87.1 | 175.2 | 0 | 0 | 0 | 110 | R117 I121 V127 | R117-L200 HydrophobicContact CB-CD1 4.11Å; I121-L200 HydrophobicContact CD1-CG 4.36Å; I121-L200 HydrophobicContact CG1-CD1 4.28Å; I121-L200 HydrophobicContact CG1-CD2 3.75Å; I121-L200 HydrophobicContact CG1-CG 3.77Å; V127-L200 HydrophobicContact CG1-CD2 4.39Å |
| 201 | W | 82.1 | Confident | 69.6 | Low | 48 Ų | 48 | 77.3 Ų | 77.3 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | trans | -95.1 | 110.1 | 168.4 | -171.3 | -61.1 | 0 | 0 | 0 | 107.5 | K126 R128 P139 D203 | K126-W201 HydrophobicContact CB-CB 3.7Å; K126-W201 HydrophobicContact CB-CG 4.2Å; K126-W201 PolarHBondContact O-N 2.98Å; R128-W201 HydrophobicContact CG-CD2 4.25Å; R128-W201 HydrophobicContact CG-CE3 3.29Å; R128-W201 HydrophobicContact CG-CZ3 3.63Å; R128-W201 VanDerWaalsContact NE-CZ3 3.34Å; P139-W201 HydrophobicContact CB-CE3 4.17Å; P139-W201 HydrophobicContact CB-CH2 4.12Å; P139-W201 HydrophobicContact CB-CZ3 3.57Å; W201-D203 VanDerWaalsContact CD1-OD1 3.3Å | ||
| 202 | D | 73.4 | Confident | 66.8 | Low | 80 Ų | 80 | 86.5 Ų | 86.5 | 43% | 0.428 | 44% | 0.437 | S | S | . | . | trans | -93.6 | 116.9 | 178.9 | -67.7 | -43.7 | 0 | 0 | 0 | 108.6 | R117 E204 | R117-D202 IonicContact NH1-OD2 3.8Å; R117-D202 PolarHBondContact NH1-OD2 3.2Å; D202-E204 PolarHBondContact O-N 3.05Å | ||
| 203 | D | 55.3 | Low | 64.4 | Low | 82 Ų | 82 | 92.3 Ų | 92.3 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -69.6 | -3.6 | -168.9 | -79.2 | -7.3 | 0 | 0 | 0 | 115.2 | K126 W201 E205 E206 | K126-D203 WeakPolarHBondContact CD-OD1 3.22Å; K126-D203 WeakPolarHBondContact CE-OD1 3.48Å; K126-D203 IonicContact NZ-OD1 2.63Å; K126-D203 PolarHBondContact NZ-OD1 3.43Å; K126-D203 IonicContact NZ-OD2 2.76Å; K126-D203 PolarHBondContact NZ-OD2 3Å; W201-D203 VanDerWaalsContact CD1-OD1 3.3Å; D203-E205 PolarHBondContact O-N 2.75Å; D203-E206 PolarHBondContact O-N 3.48Å |
| 204 | E | 53.3 | Low | 61.5 | Low | 178 Ų | 178 | 98.3 Ų | 98.3 | 83% | 0.832 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -73.3 | -10.7 | -179.4 | -60.6 | -170.6 | 169.4 | 0 | 0 | 113.3 | D202 | D202-E204 PolarHBondContact O-N 3.05Š|
| 205 | E | 50.1 | Low | 58.6 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 59% | 0.593 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -73.5 | -29.4 | 174 | -65 | -171.9 | 148.6 | 0 | 0 | 113.2 | R128 D203 | R128-E205 IonicContact CZ-OE2 2.71Å; R128-E205 IonicContact NH1-OE2 2.93Å; R128-E205 PolarHBondContact NH1-OE2 2.7Å; R128-E205 IonicContact NH2-OE2 2.64Å; R128-E205 PolarHBondContact NH2-OE2 2.93Å; D203-E205 PolarHBondContact O-N 2.75Å |
| 206 | E | 46.5 | Very low | 55.6 | Low | 118 Ų | 118 | 112.2 Ų | 112.2 | 55% | 0.551 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -35.1 | -170.4 | -71.7 | -179.6 | 176.9 | 0 | 0 | 114.1 | D203 L208 G209 | D203-E206 PolarHBondContact O-N 3.48Å; E206-L208 PolarHBondContact O-N 3.41Å; E206-L208 VanDerWaalsContact O-N 3.1Å; E206-G209 PolarHBondContact O-N 3.45Å |
| 207 | E | 42.1 | Very low | 52.7 | Low | 194 Ų | 194 | 118.4 Ų | 118.4 | 91% | 0.907 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -8 | -177.6 | -84 | -161.3 | 150.1 | 0 | 0 | 114.4 | ||
| 208 | L | 43.9 | Very low | 49.7 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 76% | 0.759 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -6.6 | 175.8 | -76.6 | 162.3 | 0 | 0 | 0 | 113.9 | E206 | E206-L208 PolarHBondContact O-N 3.41Å; E206-L208 VanDerWaalsContact O-N 3.1Å |
| 209 | G | 38.8 | Very low | 46.9 | Very low | 68 Ų | 68 | 129.8 Ų | 129.8 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -19 | -167 | 0 | 0 | 0 | 0 | 0 | 117.9 | E206 | E206-G209 PolarHBondContact O-N 3.45Š|
| 210 | E | 40.1 | Very low | 44.1 | Very low | 193 Ų | 193 | 135 Ų | 135 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 0.6 | -169 | -72.8 | -152.8 | 139.6 | 0 | 0 | 116.1 | ||
| 211 | L | 37.7 | Very low | 41.4 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -135.4 | 135.7 | -177.4 | -70.4 | 175.1 | 0 | 0 | 0 | 114.8 | ||
| 212 | E | 32.8 | Very low | 38.8 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | 80.1 | 104.4 | 173.6 | -53.3 | -160.7 | 157.4 | 0 | 0 | 117.7 | ||||
| 213 | V | 40.2 | Very low | 36.6 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -101.1 | 97.7 | 161.8 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 214 | D | 30.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 155.3 Ų | 155.3 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 177.5 | 123.8 | 137.6 | -98.6 | -18.4 | 0 | 0 | 0 | 111.1 | ||
| 215 | H | 31.5 | Very low | 34.2 | Very low | 179 Ų | 179 | 155.7 Ų | 155.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 38.6 | 99.8 | 164 | -63.6 | -60.4 | 0 | 0 | 0 | 119.6 | ||
| 216 | V | 27.5 | Very low | 33.5 | Very low | 123 Ų | 123 | 157.1 Ų | 157.1 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | -178.6 | 123.8 | 101.3 | 155.8 | 0 | 0 | 0 | 0 | 108 | L218 | V216-L218 HydrophobicContact CG1-CG 4.19Š| |||
| 217 | I | 27 | Very low | 33.7 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -90 | 123.5 | 166.6 | -62.9 | 177.2 | 0 | 0 | 0 | 107.9 | V219 | I217-V219 HydrophobicContact CG2-CG2 3.91Š| ||
| 218 | L | 29.3 | Very low | 34.7 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -103.2 | 139 | 159 | -74.6 | 172.5 | 0 | 0 | 0 | 107.9 | V216 | V216-L218 HydrophobicContact CG1-CG 4.19Š| ||
| 219 | V | 30.3 | Very low | 36.1 | Very low | 120 Ų | 120 | 149 Ų | 149 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -112.1 | 126.7 | -176.4 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | I217 | I217-V219 HydrophobicContact CG2-CG2 3.91Š| ||
| 220 | E | 28.4 | Very low | 38 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -138.6 | 138.9 | 154.9 | -70.7 | -175 | 179.6 | 0 | 0 | 106.7 | ||||
| 221 | E | 29.6 | Very low | 39.7 | Very low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | cis | -164.6 | 91.1 | -25.7 | -151.6 | 179.7 | -142.1 | 0 | 0 | 107.7 | ||||
| 222 | E | 27.2 | Very low | 41.8 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 91% | 0.911 | 72% | 0.724 | S | S | * | * | trans | -119.7 | 144.4 | 163.6 | -72.5 | -141 | 148.9 | 0 | 0 | 110.6 | D224 | E222-D224 PolarHBondContact O-N 2.77Å; E222-D224 VanDerWaalsContact O-N 3.14Å | ||
| 223 | M | 27.5 | Very low | 44.3 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -96.7 | 70.7 | -147.9 | -166.7 | -176.6 | 69.6 | 0 | 0 | 113.1 | F225 | M223-F225 HydrophobicContact CE-CE2 4.3Š| ||
| 224 | D | 27.5 | Very low | 46.6 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | trans | -69.7 | 132.8 | 172.9 | -109 | -24.3 | 0 | 0 | 0 | 112.2 | E222 H226 | E222-D224 PolarHBondContact O-N 2.77Å; E222-D224 VanDerWaalsContact O-N 3.14Å; D224-H226 PolarHBondContact O-N 2.86Å | ||
| 225 | F | 28.7 | Very low | 49.2 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 82% | 0.816 | 63% | 0.631 | S | S | * | * | trans | -77.6 | 87.9 | 175.9 | -86.2 | -98.3 | 0 | 0 | 0 | 110.6 | M223 | M223-F225 HydrophobicContact CE-CE2 4.3Š| ||
| 226 | H | 37.4 | Very low | 51.8 | Low | 157 Ų | 157 | 116.8 Ų | 116.8 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -60.4 | 138.9 | 168.3 | -67.1 | -40.4 | 0 | 0 | 0 | 111.4 | D224 | D224-H226 PolarHBondContact O-N 2.86Š| ||
| 227 | P | 49.9 | Very low | 54.3 | Low | 112 Ų | 112 | 115.9 Ų | 115.9 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | trans | -66.8 | 137.3 | 178.6 | 28 | -34.5 | 0 | 0 | 0 | 111.2 | E229 | P227-E229 PolarHBondContact O-N 3.06Š| ||
| 228 | L | 63.3 | Low | 56.6 | Low | 36 Ų | 36 | 110 Ų | 110 | 19% | 0.188 | 55% | 0.551 | C | S | . | * | trans | -73.5 | 109.5 | 179.3 | -69.1 | 179.4 | 0 | 0 | 0 | 111.4 | I247 V263 I297 V300 P302 | L228-I247 HydrophobicContact CB-CD1 3.68Å; L228-I247 HydrophobicContact CD1-CD1 4.07Å; L228-I247 HydrophobicContact CD2-CD1 4.27Å; L228-I247 HydrophobicContact CG-CD1 4.23Å; L228-V263 HydrophobicContact CD1-CG2 4.33Å; L228-I297 HydrophobicContact CD1-CD1 4.28Å; L228-I297 HydrophobicContact CD1-CG1 3.9Å; L228-V300 HydrophobicContact CD1-CB 4.11Å; L228-V300 HydrophobicContact CD1-CG1 3.89Å; L228-P302 HydrophobicContact CD2-CG 4.36Å | ||
| 229 | E | 72.9 | Confident | 58.7 | Low | 138 Ų | 138 | 114.4 Ų | 114.4 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | trans | -83.4 | 147 | 179.2 | -62.8 | -167.5 | 163.5 | 0 | 0 | 113 | P227 S232 | P227-E229 PolarHBondContact O-N 3.06Å; E229-S232 WeakPolarHBondContact O-CB 3.46Å; E229-S232 PolarHBondContact O-N 2.72Å; E229-S232 PolarHBondContact O-OG 3.08Å | ||
| 230 | I | 78.2 | Confident | 60.6 | Low | 93 Ų | 93 | 118.1 Ų | 118.1 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.8 | 138.8 | 175.1 | -55.3 | 177.2 | 0 | 0 | 0 | 109.3 | S232 | I230-S232 VanDerWaalsContact C-N 3.33Š|
| 231 | N | 76.5 | Confident | 62.7 | Low | 128 Ų | 128 | 109.9 Ų | 109.9 | 68% | 0.684 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 4.5 | -167.5 | -43.2 | -87.5 | 0 | 0 | 0 | 115.7 | I247 | N231-I247 WeakPolarHBondContact CA-O 3.38Å; N231-I247 PolarHBondContact N-O 2.92Å |
| 232 | S | 82.4 | Confident | 65.2 | Low | 42 Ų | 42 | 105.1 Ų | 105.1 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | trans | -66.8 | 146.2 | 170.7 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | E229 I230 T246 I247 | E229-S232 WeakPolarHBondContact O-CB 3.46Å; E229-S232 PolarHBondContact O-N 2.72Å; E229-S232 PolarHBondContact O-OG 3.08Å; I230-S232 VanDerWaalsContact C-N 3.33Å; S232-T246 WeakPolarHBondContact O-CA 3.45Å; S232-I247 PolarHBondContact O-N 3.24Å | ||
| 233 | R | 85.4 | Confident | 68 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 33% | 0.325 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128.4 | 177.1 | -78.7 | -59.9 | -54.3 | -170.4 | -8.3 | 111.2 | G245 T246 D268 E303 | R233-G245 PolarHBondContact NE-O 3.08Å; R233-G245 PolarHBondContact NH1-O 3.47Å; R233-T246 WeakPolarHBondContact CD-OG1 3.34Å; R233-T246 PolarHBondContact NH1-OG1 3.11Å; R233-D268 IonicContact CZ-OD1 2.75Å; R233-D268 IonicContact CZ-OD2 3.15Å; R233-D268 IonicContact NH1-OD1 3.51Å; R233-D268 PolarHBondContact NH1-OD1 2.91Å; R233-D268 IonicContact NH1-OD2 2.61Å; R233-D268 PolarHBondContact NH1-OD2 3.33Å; R233-D268 IonicContact NH2-OD1 3.32Å; R233-D268 IonicContact NH2-OD2 3.37Å; R233-D268 PolarHBondContact NH2-OD2 2.7Å; R233-E303 HydrophobicContact CB-CB 4.1Å; R233-E303 IonicContact CZ-OE2 3.11Å; R233-E303 VanDerWaalsContact CZ-OE2 3.25Å; R233-E303 IonicContact NE-OE2 2.59Å; R233-E303 PolarHBondContact NE-OE2 3.02Å; R233-E303 IonicContact NH2-OE1 3.87Å; R233-E303 IonicContact NH2-OE2 2.74Å; R233-E303 PolarHBondContact NH2-OE2 3.22Å; R233-E303 WeakPolarHBondContact O-CB 3.43Å; R233-E303 PolarHBondContact O-N 2.92Å |
| 234 | V | 87 | Confident | 70.8 | Confident | 0 Ų | 0 | 97 Ų | 97 | 0% | 0 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 155.8 | -167.8 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | V236 G245 I247 V265 V300 M301 | V234-V236 HydrophobicContact CG2-CG2 4.38Å; V234-G245 PolarHBondContact N-O 3.18Å; V234-G245 PolarHBondContact O-N 3.36Å; V234-I247 HydrophobicContact CG1-CD1 3.85Å; V234-I247 HydrophobicContact CG1-CG1 3.94Å; V234-I247 HydrophobicContact CG2-CG1 3.9Å; V234-V265 HydrophobicContact CG2-CG1 3.78Å; V234-V265 HydrophobicContact CG2-CG2 4.27Å; V234-V300 HydrophobicContact CB-CG1 3.66Å; V234-V300 HydrophobicContact CG1-CG1 3.67Å; V234-V300 HydrophobicContact CG2-CG1 3.86Å; V234-M301 CarbonylContact C-O 3.6Å; V234-M301 WeakPolarHBondContact CA-O 3.42Å; V234-M301 VanDerWaalsContact CB-O 3.28Å; V234-M301 WeakPolarHBondContact CB-O 3.37Å |
| 235 | L | 86.3 | Confident | 73.6 | Confident | 43 Ų | 43 | 90.4 Ų | 90.4 | 23% | 0.225 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.7 | 164.6 | -71.2 | 161.1 | 0 | 0 | 0 | 108.4 | P242 E243 R244 M301 | L235-P242 HydrophobicContact CD2-CB 4.49Å; L235-E243 CarbonylContact C-O 3.53Å; L235-E243 WeakPolarHBondContact CA-O 3.13Å; L235-R244 HydrophobicContact CD2-CG 3.5Å; L235-M301 PolarHBondContact N-O 3.32Å; L235-M301 PolarHBondContact O-N 3.29Å |
| 236 | V | 85.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 83.3 Ų | 83.3 | 1% | 0.006 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | V234 T238 P242 E243 V265 M267 V295 D299 V300 | V234-V236 HydrophobicContact CG2-CG2 4.38Å; V236-T238 PolarHBondContact O-N 3.31Å; V236-T238 VanDerWaalsContact O-N 3.09Å; V236-P242 WeakPolarHBondContact O-CA 3.23Å; V236-E243 PolarHBondContact N-O 2.85Å; V236-E243 PolarHBondContact O-N 2.95Å; V236-V265 HydrophobicContact CG2-CB 4.07Å; V236-V265 HydrophobicContact CG2-CG1 3.88Å; V236-V265 HydrophobicContact CG2-CG2 3.85Å; V236-M267 HydrophobicContact CB-CE 3.85Å; V236-M267 HydrophobicContact CB-SD 4.22Å; V236-M267 HydrophobicContact CG2-CE 3.99Å; V236-M267 HydrophobicContact CG2-SD 3.8Å; V236-V295 HydrophobicContact CG1-CB 4.38Å; V236-V295 HydrophobicContact CG1-CG1 3.81Å; V236-V295 HydrophobicContact CG1-CG2 3.96Å; V236-D299 CarbonylContact C-O 3.49Å; V236-D299 WeakPolarHBondContact CA-O 3.34Å; V236-V300 HydrophobicContact CG2-CG2 4.43Å |
| 237 | Q | 80.6 | Confident | 78.7 | Confident | 103 Ų | 103 | 75.8 Ų | 75.8 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 96.1 | -178.3 | -175.8 | 54.8 | 70.6 | 0 | 0 | 111 | D299 | Q237-D299 PolarHBondContact N-O 2.83Å |
| 238 | T | 75.3 | Confident | 80.2 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | trans | -85.2 | 178 | 175.3 | 82.7 | 0 | 0 | 0 | 0 | 111.8 | V236 E240 G241 E243 I271 | V236-T238 PolarHBondContact O-N 3.31Å; V236-T238 VanDerWaalsContact O-N 3.09Å; T238-E240 VanDerWaalsContact C-N 3.26Å; T238-E240 PolarHBondContact O-N 2.8Å; T238-E240 PolarHBondContact OG1-N 3.18Å; T238-G241 WeakPolarHBondContact CB-O 3.45Å; T238-G241 PolarHBondContact N-O 3.36Å; T238-G241 PolarHBondContact OG1-N 3.24Å; T238-G241 VanDerWaalsContact OG1-N 3.12Å; T238-G241 PolarHBondContact OG1-O 3.24Å; T238-E243 HydrophobicContact CG2-CB 3.92Å; T238-E243 HydrophobicContact CG2-CG 4.01Å; T238-I271 HydrophobicContact CG2-CD1 4.2Å | ||
| 239 | R | 72.1 | Confident | 81.2 | Confident | 257 Ų | 257 | 71.4 Ų | 71.4 | 97% | 0.97 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -71.4 | -18.2 | 174.1 | -65.5 | -175.5 | 178 | -168.1 | 0.4 | 114 | ||
| 240 | E | 70 | Confident | 81.7 | Confident | 198 Ų | 198 | 66.6 Ų | 66.6 | 93% | 0.925 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -108.3 | -23.7 | -175.1 | -58.3 | -170.2 | 179.2 | 0 | 0 | 112 | T238 | T238-E240 VanDerWaalsContact C-N 3.26Å; T238-E240 PolarHBondContact O-N 2.8Å; T238-E240 PolarHBondContact OG1-N 3.18Å |
| 241 | G | 72.8 | Confident | 81.6 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | trans | 172.8 | 172.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T238 E243 | T238-G241 WeakPolarHBondContact CB-O 3.45Å; T238-G241 PolarHBondContact N-O 3.36Å; T238-G241 PolarHBondContact OG1-N 3.24Å; T238-G241 VanDerWaalsContact OG1-N 3.12Å; T238-G241 PolarHBondContact OG1-O 3.24Å; G241-E243 PolarHBondContact O-N 2.87Å | ||
| 242 | P | 82.8 | Confident | 81.7 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 114.7 | 166.9 | 30.4 | -32.4 | 0 | 0 | 0 | 109.5 | L235 V236 | L235-P242 HydrophobicContact CD2-CB 4.49Å; V236-P242 WeakPolarHBondContact O-CA 3.23Å |
| 243 | E | 84.8 | Confident | 81.4 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 149.4 | -174.5 | -78.8 | -70 | 157.1 | 0 | 0 | 111.2 | L235 V236 T238 G241 M267 N269 I271 | L235-E243 CarbonylContact C-O 3.53Å; L235-E243 WeakPolarHBondContact CA-O 3.13Å; V236-E243 PolarHBondContact N-O 2.85Å; V236-E243 PolarHBondContact O-N 2.95Å; T238-E243 HydrophobicContact CG2-CB 3.92Å; T238-E243 HydrophobicContact CG2-CG 4.01Å; G241-E243 PolarHBondContact O-N 2.87Å; E243-M267 HydrophobicContact CB-CE 3.56Å; E243-N269 PolarHBondContact OE2-ND2 2.87Å; E243-I271 HydrophobicContact CB-CD1 3.59Å; E243-I271 HydrophobicContact CG-CD1 3.52Å |
| 244 | R | 86.9 | Confident | 80.6 | Confident | 133 Ų | 133 | 60 Ų | 60 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 144.8 | -171.6 | -70.6 | 176.2 | -176.1 | -139.4 | 0.1 | 112.3 | L235 M267 D268 E303 | L235-R244 HydrophobicContact CD2-CG 3.5Å; R244-M267 WeakPolarHBondContact O-CE 3.24Å; R244-D268 HydrophobicContact CB-CB 4.42Å; R244-D268 WeakPolarHBondContact CB-OD2 3.36Å; R244-D268 PolarHBondContact O-N 3.43Å; R244-E303 WeakPolarHBondContact CD-OE1 3.23Å; R244-E303 IonicContact CZ-OE1 3.65Å; R244-E303 IonicContact NE-OE1 3.95Å; R244-E303 PolarHBondContact NE-OE1 3.4Å; R244-E303 IonicContact NH1-OE1 2.71Å; R244-E303 PolarHBondContact NH1-OE1 2.91Å |
| 245 | G | 85.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169 | -175.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | R233 V234 D266 | R233-G245 PolarHBondContact NE-O 3.08Å; R233-G245 PolarHBondContact NH1-O 3.47Å; V234-G245 PolarHBondContact N-O 3.18Å; V234-G245 PolarHBondContact O-N 3.36Å; G245-D266 CarbonylContact C-O 3.47Å; G245-D266 WeakPolarHBondContact CA-O 3.41Å |
| 246 | T | 86.3 | Confident | 78.3 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130 | -175.2 | -42.6 | 0 | 0 | 0 | 0 | 109.9 | S232 R233 I248 V265 D266 | S232-T246 WeakPolarHBondContact O-CA 3.45Å; R233-T246 WeakPolarHBondContact CD-OG1 3.34Å; R233-T246 PolarHBondContact NH1-OG1 3.11Å; T246-I248 PolarHBondContact O-N 2.89Å; T246-V265 CarbonylContact O-C 3.49Å; T246-V265 WeakPolarHBondContact O-CA 3.45Å; T246-V265 WeakPolarHBondContact O-CG1 3.4Å; T246-D266 PolarHBondContact N-O 3.39Å; T246-D266 PolarHBondContact O-N 3.34Å |
| 247 | I | 88 | Confident | 77.2 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 127.4 | -179.6 | -61 | -176.4 | 0 | 0 | 0 | 110.3 | L228 N231 S232 V234 C250 V263 V265 | L228-I247 HydrophobicContact CB-CD1 3.68Å; L228-I247 HydrophobicContact CD1-CD1 4.07Å; L228-I247 HydrophobicContact CD2-CD1 4.27Å; L228-I247 HydrophobicContact CG-CD1 4.23Å; N231-I247 WeakPolarHBondContact CA-O 3.38Å; N231-I247 PolarHBondContact N-O 2.92Å; S232-I247 PolarHBondContact O-N 3.24Å; V234-I247 HydrophobicContact CG1-CD1 3.85Å; V234-I247 HydrophobicContact CG1-CG1 3.94Å; V234-I247 HydrophobicContact CG2-CG1 3.9Å; I247-C250 HydrophobicContact CG2-CB 4.44Å; I247-V263 HydrophobicContact CB-CG1 4.34Å; I247-V263 HydrophobicContact CD1-CG1 3.87Å; I247-V263 HydrophobicContact CG1-CG1 3.81Å; I247-V263 HydrophobicContact CG2-CG1 3.79Å; I247-V265 HydrophobicContact CG1-CG2 4.49Å |
| 248 | I | 82.1 | Confident | 76 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 19% | 0.185 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -14.5 | 174 | 61.8 | 166.1 | 0 | 0 | 0 | 113.4 | T246 G264 D266 F286 T292 | T246-I248 PolarHBondContact O-N 2.89Å; I248-G264 WeakPolarHBondContact CG1-O 3.28Å; I248-G264 PolarHBondContact N-O 3.41Å; I248-D266 HydrophobicContact CD1-CB 4.38Å; I248-D266 HydrophobicContact CG2-CB 3.87Å; I248-F286 HydrophobicContact CD1-CB 3.82Å; I248-T292 HydrophobicContact CD1-CG2 3.76Å |
| 249 | F | 83.8 | Confident | 75.1 | Confident | 19 Ų | 19 | 75.6 Ų | 75.6 | 8% | 0.083 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 144.9 | 178.4 | 172.6 | -98 | 0 | 0 | 0 | 110.4 | D251 L253 V263 G264 W274 L283 C284 L294 | F249-D251 HydrophobicContact CE1-CB 4.23Å; F249-D251 HydrophobicContact CE2-CB 3.81Å; F249-D251 HydrophobicContact CZ-CB 3.51Å; F249-L253 HydrophobicContact CE1-CD2 3.96Å; F249-L253 HydrophobicContact CZ-CD2 4.39Å; F249-V263 CarbonylContact O-C 3.56Å; F249-V263 WeakPolarHBondContact O-CA 3.35Å; F249-V263 WeakPolarHBondContact O-CG1 3.43Å; F249-G264 PolarHBondContact N-O 3.43Å; F249-G264 VanDerWaalsContact N-O 3.12Å; F249-G264 PolarHBondContact O-N 3.28Å; F249-W274 HydrophobicContact CB-CH2 4.39Å; F249-W274 HydrophobicContact CB-CZ3 4.41Å; F249-W274 HydrophobicContact CD1-CH2 4.1Å; F249-W274 HydrophobicContact CG-CH2 4.22Å; F249-L283 HydrophobicContact CD2-CB 4.19Å; F249-L283 HydrophobicContact CE1-CD1 4.3Å; F249-L283 HydrophobicContact CE2-CB 3.83Å; F249-L283 HydrophobicContact CE2-CD1 4.31Å; F249-L283 HydrophobicContact CZ-CB 4.21Å; F249-L283 HydrophobicContact CZ-CD1 3.83Å; F249-C284 HydrophobicContact CB-CB 4.15Å; F249-C284 HydrophobicContact CD2-CB 4.46Å; F249-L294 HydrophobicContact CD1-CD1 4.15Å; F249-L294 HydrophobicContact CE1-CD1 4.4Å |
| 250 | C | 82.8 | Confident | 74.9 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 25% | 0.25 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 102.7 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | I247 Y262 | I247-C250 HydrophobicContact CG2-CB 4.44Å; C250-Y262 WeakPolarHBondContact CA-O 3.37Å |
| 251 | D | 75.9 | Confident | 75.3 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 177.5 | -179.8 | -152.4 | -13.5 | 0 | 0 | 0 | 111.4 | F249 Y262 | F249-D251 HydrophobicContact CE1-CB 4.23Å; F249-D251 HydrophobicContact CE2-CB 3.81Å; F249-D251 HydrophobicContact CZ-CB 3.51Å; D251-Y262 PolarHBondContact N-O 3.4Å; D251-Y262 VanDerWaalsContact N-O 3.15Å; D251-Y262 PolarHBondContact O-N 2.76Å |
| 252 | L | 78.3 | Confident | 75.8 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 139.4 | 166.9 | -62.4 | 176.9 | 0 | 0 | 0 | 110.8 | G260 Y261 | L252-G260 VanDerWaalsContact CD2-C 3.48Å; L252-G260 WeakPolarHBondContact CD2-O 3.37Å; L252-Y261 HydrophobicContact CD2-CD1 3.98Å; L252-Y261 HydrophobicContact CD2-CD2 3.92Å; L252-Y261 HydrophobicContact CD2-CE1 4.07Å; L252-Y261 HydrophobicContact CD2-CE2 4.01Å; L252-Y261 HydrophobicContact CD2-CG 3.9Å; L252-Y261 HydrophobicContact CG-CD1 4.15Å; L252-Y261 HydrophobicContact CG-CE1 3.89Å |
| 253 | L | 76.3 | Confident | 76 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 130.1 | -179.8 | -56.7 | -170.7 | 0 | 0 | 0 | 111.5 | F249 G255 N256 Y262 I278 L283 L294 | F249-L253 HydrophobicContact CE1-CD2 3.96Å; F249-L253 HydrophobicContact CZ-CD2 4.39Å; L253-G255 PolarHBondContact O-N 3.29Å; L253-N256 PolarHBondContact O-N 3.5Å; L253-N256 VanDerWaalsContact O-N 3.13Å; L253-Y262 HydrophobicContact CD1-CD1 3.89Å; L253-Y262 HydrophobicContact CD1-CD2 3.63Å; L253-Y262 HydrophobicContact CD1-CE1 4.25Å; L253-Y262 HydrophobicContact CD1-CE2 4.01Å; L253-Y262 HydrophobicContact CD1-CG 3.56Å; L253-Y262 HydrophobicContact CD2-CD2 4.48Å; L253-Y262 HydrophobicContact CD2-CG 4.19Å; L253-Y262 HydrophobicContact CG-CD2 3.65Å; L253-Y262 HydrophobicContact CG-CE2 4.37Å; L253-Y262 HydrophobicContact CG-CG 3.76Å; L253-I278 HydrophobicContact CD1-CD1 3.86Å; L253-I278 HydrophobicContact CD2-CD1 3.62Å; L253-I278 HydrophobicContact CG-CD1 4.21Å; L253-L283 HydrophobicContact CD2-CD1 4.37Å; L253-L294 HydrophobicContact CD1-CD2 4.05Å; L253-L294 HydrophobicContact CD2-CD2 4.4Å |
| 254 | P | 68.6 | Low | 76.1 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 131.3 | 179.3 | -26.7 | 34.6 | 0 | 0 | 0 | 112.4 | N256 K281 L283 | P254-N256 PolarHBondContact O-N 2.89Å; P254-K281 HydrophobicContact CG-CD 4.32Å; P254-L283 HydrophobicContact CG-CD2 4.17Å |
| 255 | G | 63.7 | Low | 76.2 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 80% | 0.804 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -3.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L253 | L253-G255 PolarHBondContact O-N 3.29Š|
| 256 | N | 61.2 | Low | 76.3 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | trans | -134 | 32.5 | -177.4 | -138 | -15.3 | 0 | 0 | 0 | 113.5 | L253 P254 S258 L259 | L253-N256 PolarHBondContact O-N 3.5Å; L253-N256 VanDerWaalsContact O-N 3.13Å; P254-N256 PolarHBondContact O-N 2.89Å; N256-S258 PolarHBondContact O-N 3.46Å; N256-L259 HydrophobicContact CB-CD1 4.47Å; N256-L259 WeakPolarHBondContact ND2-CD1 3.21Å; N256-L259 PolarHBondContact O-N 3.21Å; N256-L259 WeakPolarHBondContact OD1-CD1 3.32Å; N256-L259 WeakPolarHBondContact OD1-CG 3.29Å | ||
| 257 | E | 63.6 | Low | 76.3 | Confident | 145 Ų | 145 | 50 Ų | 50 | 68% | 0.678 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -51.6 | -24.5 | -175.2 | -64.3 | 165.8 | -165.9 | 0 | 0 | 114.5 | L259 | E257-L259 VanDerWaalsContact C-N 3.26Å; E257-L259 PolarHBondContact O-N 2.9Å |
| 258 | S | 54.7 | Low | 76.3 | Confident | 112 Ų | 112 | 53.7 Ų | 53.7 | 78% | 0.783 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -72.8 | -7 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 115.5 | N256 | N256-S258 PolarHBondContact O-N 3.46Š|
| 259 | L | 56.2 | Low | 76.4 | Confident | 95 Ų | 95 | 55.5 Ų | 55.5 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -96 | -3.3 | 178.5 | -61.3 | -175.5 | 0 | 0 | 0 | 114.2 | N256 E257 Y262 | N256-L259 HydrophobicContact CB-CD1 4.47Å; N256-L259 WeakPolarHBondContact ND2-CD1 3.21Å; N256-L259 PolarHBondContact O-N 3.21Å; N256-L259 WeakPolarHBondContact OD1-CD1 3.32Å; N256-L259 WeakPolarHBondContact OD1-CG 3.29Å; E257-L259 VanDerWaalsContact C-N 3.26Å; E257-L259 PolarHBondContact O-N 2.9Å; L259-Y262 HydrophobicContact CB-CE2 3.95Å |
| 260 | G | 68.8 | Low | 76.2 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | trans | 83.7 | -166.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L252 Y262 | L252-G260 VanDerWaalsContact CD2-C 3.48Å; L252-G260 WeakPolarHBondContact CD2-O 3.37Å; G260-Y262 WeakPolarHBondContact O-CD2 3.22Å | ||
| 261 | Y | 77.1 | Confident | 76.1 | Confident | 124 Ų | 124 | 59.7 Ų | 59.7 | 49% | 0.486 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139 | -175.7 | -73.1 | -89 | 0 | 0 | 0 | 112.4 | L252 I297 | L252-Y261 HydrophobicContact CD2-CD1 3.98Å; L252-Y261 HydrophobicContact CD2-CD2 3.92Å; L252-Y261 HydrophobicContact CD2-CE1 4.07Å; L252-Y261 HydrophobicContact CD2-CE2 4.01Å; L252-Y261 HydrophobicContact CD2-CG 3.9Å; L252-Y261 HydrophobicContact CG-CD1 4.15Å; L252-Y261 HydrophobicContact CG-CE1 3.89Å; Y261-I297 WeakPolarHBondContact O-CB 3.2Å; Y261-I297 PolarHBondContact O-N 3.06Å |
| 262 | Y | 85 | Confident | 76.2 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.6 | 174.8 | -79.6 | -104.4 | 0 | 0 | 0 | 110.5 | C250 D251 L253 L259 G260 L294 V295 P296 | C250-Y262 WeakPolarHBondContact CA-O 3.37Å; D251-Y262 PolarHBondContact N-O 3.4Å; D251-Y262 VanDerWaalsContact N-O 3.15Å; D251-Y262 PolarHBondContact O-N 2.76Å; L253-Y262 HydrophobicContact CD1-CD1 3.89Å; L253-Y262 HydrophobicContact CD1-CD2 3.63Å; L253-Y262 HydrophobicContact CD1-CE1 4.25Å; L253-Y262 HydrophobicContact CD1-CE2 4.01Å; L253-Y262 HydrophobicContact CD1-CG 3.56Å; L253-Y262 HydrophobicContact CD2-CD2 4.48Å; L253-Y262 HydrophobicContact CD2-CG 4.19Å; L253-Y262 HydrophobicContact CG-CD2 3.65Å; L253-Y262 HydrophobicContact CG-CE2 4.37Å; L253-Y262 HydrophobicContact CG-CG 3.76Å; L259-Y262 HydrophobicContact CB-CE2 3.95Å; G260-Y262 WeakPolarHBondContact O-CD2 3.22Å; Y262-L294 HydrophobicContact CD1-CD2 4.49Å; Y262-L294 HydrophobicContact CD1-CG 4.25Å; Y262-V295 CarbonylContact C-O 3.59Å; Y262-V295 WeakPolarHBondContact CA-O 3.3Å; Y262-V295 WeakPolarHBondContact CD1-O 3.23Å; Y262-P296 HydrophobicContact CD1-CG 4.43Å; Y262-P296 HydrophobicContact CE1-CB 4.35Å; Y262-P296 HydrophobicContact CE1-CG 3.83Å |
| 263 | V | 86.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.8 | -177.2 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | L228 I247 F249 V265 V295 I297 V300 | L228-V263 HydrophobicContact CD1-CG2 4.33Å; I247-V263 HydrophobicContact CB-CG1 4.34Å; I247-V263 HydrophobicContact CD1-CG1 3.87Å; I247-V263 HydrophobicContact CG1-CG1 3.81Å; I247-V263 HydrophobicContact CG2-CG1 3.79Å; F249-V263 CarbonylContact O-C 3.56Å; F249-V263 WeakPolarHBondContact O-CA 3.35Å; F249-V263 WeakPolarHBondContact O-CG1 3.43Å; V263-V265 HydrophobicContact CB-CG2 4.47Å; V263-V265 HydrophobicContact CG1-CG2 3.75Å; V263-V295 PolarHBondContact N-O 2.75Å; V263-V295 PolarHBondContact O-N 2.88Å; V263-I297 HydrophobicContact CG2-CB 3.95Å; V263-I297 HydrophobicContact CG2-CD1 4.37Å; V263-I297 HydrophobicContact CG2-CG1 3.87Å; V263-V300 HydrophobicContact CB-CG2 4.05Å; V263-V300 HydrophobicContact CG1-CG2 4.36Å; V263-V300 HydrophobicContact CG2-CG2 4.27Å |
| 264 | G | 87.3 | Confident | 77 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | I248 F249 R293 | I248-G264 WeakPolarHBondContact CG1-O 3.28Å; I248-G264 PolarHBondContact N-O 3.41Å; F249-G264 PolarHBondContact N-O 3.43Å; F249-G264 VanDerWaalsContact N-O 3.12Å; F249-G264 PolarHBondContact O-N 3.28Å; G264-R293 CarbonylContact C-O 3.58Å; G264-R293 WeakPolarHBondContact CA-O 3.34Å |
| 265 | V | 88.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.2 | -175.7 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | V234 V236 T246 I247 V263 M267 R293 V295 | V234-V265 HydrophobicContact CG2-CG1 3.78Å; V234-V265 HydrophobicContact CG2-CG2 4.27Å; V236-V265 HydrophobicContact CG2-CB 4.07Å; V236-V265 HydrophobicContact CG2-CG1 3.88Å; V236-V265 HydrophobicContact CG2-CG2 3.85Å; T246-V265 CarbonylContact O-C 3.49Å; T246-V265 WeakPolarHBondContact O-CA 3.45Å; T246-V265 WeakPolarHBondContact O-CG1 3.4Å; I247-V265 HydrophobicContact CG1-CG2 4.49Å; V263-V265 HydrophobicContact CB-CG2 4.47Å; V263-V265 HydrophobicContact CG1-CG2 3.75Å; V265-M267 HydrophobicContact CB-SD 3.94Å; V265-M267 HydrophobicContact CG1-SD 3.56Å; V265-M267 VanDerWaalsContact CG1-SD 3.56Å; V265-R293 PolarHBondContact N-O 3.44Å; V265-R293 PolarHBondContact O-N 3.08Å; V265-V295 HydrophobicContact CG2-CG2 4.41Å |
| 266 | D | 87.1 | Confident | 78.1 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 20% | 0.203 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 110.3 | 169.4 | -160.7 | 40.5 | 0 | 0 | 0 | 108.2 | G245 T246 I248 A287 T292 | G245-D266 CarbonylContact C-O 3.47Å; G245-D266 WeakPolarHBondContact CA-O 3.41Å; T246-D266 PolarHBondContact N-O 3.39Å; T246-D266 PolarHBondContact O-N 3.34Å; I248-D266 HydrophobicContact CD1-CB 4.38Å; I248-D266 HydrophobicContact CG2-CB 3.87Å; D266-A287 VanDerWaalsContact OD2-CB 3.28Å; D266-A287 WeakPolarHBondContact OD2-CB 3.41Å; D266-T292 PolarHBondContact OD1-OG1 2.9Å |
| 267 | M | 87.9 | Confident | 79 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 145.5 | -170.9 | -56.4 | -58 | -65.5 | 0 | 0 | 111.4 | V236 E243 R244 V265 N269 I271 H291 R293 | V236-M267 HydrophobicContact CB-CE 3.85Å; V236-M267 HydrophobicContact CB-SD 4.22Å; V236-M267 HydrophobicContact CG2-CE 3.99Å; V236-M267 HydrophobicContact CG2-SD 3.8Å; E243-M267 HydrophobicContact CB-CE 3.56Å; R244-M267 WeakPolarHBondContact O-CE 3.24Å; V265-M267 HydrophobicContact CB-SD 3.94Å; V265-M267 HydrophobicContact CG1-SD 3.56Å; V265-M267 VanDerWaalsContact CG1-SD 3.56Å; M267-N269 WeakPolarHBondContact CB-O 3.42Å; M267-N269 PolarHBondContact O-N 2.92Å; M267-I271 HydrophobicContact CB-CG1 4.06Å; M267-I271 HydrophobicContact CE-CD1 4.08Å; M267-I271 HydrophobicContact CG-CG1 4.09Å; M267-H291 WeakPolarHBondContact CB-O 3.47Å; M267-H291 VanDerWaalsContact CG-O 3.25Å; M267-H291 WeakPolarHBondContact CG-O 3.5Å; M267-H291 PolarHBondContact N-O 2.72Å; M267-H291 PolarHBondContact O-ND1 2.82Å; M267-R293 HydrophobicContact CG-CB 4.07Å |
| 268 | D | 86.8 | Confident | 79.7 | Confident | 76 Ų | 76 | 49 Ų | 49 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -66.1 | -29.5 | 177 | -65.5 | -13.5 | 0 | 0 | 0 | 111.6 | R233 R244 H291 | R233-D268 IonicContact CZ-OD1 2.75Å; R233-D268 IonicContact CZ-OD2 3.15Å; R233-D268 IonicContact NH1-OD1 3.51Å; R233-D268 PolarHBondContact NH1-OD1 2.91Å; R233-D268 IonicContact NH1-OD2 2.61Å; R233-D268 PolarHBondContact NH1-OD2 3.33Å; R233-D268 IonicContact NH2-OD1 3.32Å; R233-D268 IonicContact NH2-OD2 3.37Å; R233-D268 PolarHBondContact NH2-OD2 2.7Å; R244-D268 HydrophobicContact CB-CB 4.42Å; R244-D268 WeakPolarHBondContact CB-OD2 3.36Å; R244-D268 PolarHBondContact O-N 3.43Å; D268-H291 PolarHBondContact O-CE1 2.83Å |
| 269 | N | 84.4 | Confident | 80.6 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 40% | 0.401 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -103.7 | 152 | 178.3 | -75.1 | -45.2 | 0 | 0 | 0 | 111.5 | E243 M267 I271 | E243-N269 PolarHBondContact OE2-ND2 2.87Å; M267-N269 WeakPolarHBondContact CB-O 3.42Å; M267-N269 PolarHBondContact O-N 2.92Å; N269-I271 HydrophobicContact CB-CG2 4.41Å; N269-I271 PolarHBondContact O-N 3.04Å |
| 270 | P | 80.3 | Confident | 81.2 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -76.3 | 72.2 | 179.8 | 31.6 | -35.9 | 0 | 0 | 0 | 112 | E290 | P270-E290 CarbonylContact C-O 3.46Å; P270-E290 WeakPolarHBondContact CA-O 3.19Å; P270-E290 HydrophobicContact CB-CB 4.44Å |
| 271 | I | 80 | Confident | 81.5 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 30% | 0.297 | 30% | 0.299 | S | S | . | . | trans | -127.9 | 16.7 | -179.8 | 63.9 | 177.8 | 0 | 0 | 0 | 112.7 | T238 E243 M267 N269 E290 R293 | T238-I271 HydrophobicContact CG2-CD1 4.2Å; E243-I271 HydrophobicContact CB-CD1 3.59Å; E243-I271 HydrophobicContact CG-CD1 3.52Å; M267-I271 HydrophobicContact CB-CG1 4.06Å; M267-I271 HydrophobicContact CE-CD1 4.08Å; M267-I271 HydrophobicContact CG-CG1 4.09Å; N269-I271 HydrophobicContact CB-CG2 4.41Å; N269-I271 PolarHBondContact O-N 3.04Å; I271-E290 PolarHBondContact N-O 3.44Å; I271-R293 PolarHBondContact O-NH1 2.97Å | ||
| 272 | G | 78.8 | Confident | 81.5 | Confident | 17 Ų | 17 | 53 Ų | 53 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -74.4 | 153.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | L289 E290 T292 | G272-L289 CarbonylContact C-O 3.35Å; G272-L289 VanDerWaalsContact C-O 3.29Å; G272-E290 WeakPolarHBondContact CA-O 3.48Å; G272-E290 PolarHBondContact N-O 2.91Å; G272-T292 CarbonylContact C-O 3.54Å; G272-T292 WeakPolarHBondContact CA-O 3.29Å | ||
| 273 | D | 83.2 | Confident | 81.1 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | trans | -146.3 | 16.5 | 176 | 55.3 | 10.8 | 0 | 0 | 0 | 113 | T292 R293 | D273-T292 PolarHBondContact N-O 2.85Å; D273-R293 IonicContact OD1-CZ 2.72Å; D273-R293 IonicContact OD1-NH1 2.72Å; D273-R293 PolarHBondContact OD1-NH1 2.71Å; D273-R293 IonicContact OD1-NH2 3.15Å; D273-R293 PolarHBondContact OD1-NH2 3.34Å; D273-R293 IonicContact OD2-CZ 3.55Å; D273-R293 IonicContact OD2-NH1 3.54Å; D273-R293 PolarHBondContact OD2-NH1 3.4Å; D273-R293 IonicContact OD2-NH2 3.93Å; D273-R293 PolarHBondContact OD2-NH2 2.72Å | ||
| 274 | W | 86.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | trans | -123.6 | 133.7 | -177.8 | -173.8 | 48.3 | 0 | 0 | 0 | 112.6 | F249 G276 V277 I278 L283 C284 T292 L294 | F249-W274 HydrophobicContact CB-CH2 4.39Å; F249-W274 HydrophobicContact CB-CZ3 4.41Å; F249-W274 HydrophobicContact CD1-CH2 4.1Å; F249-W274 HydrophobicContact CG-CH2 4.22Å; W274-G276 VanDerWaalsContact CE2-CA 3.48Å; W274-G276 VanDerWaalsContact CZ2-C 3.41Å; W274-G276 VanDerWaalsContact CZ2-CA 3.47Å; W274-V277 PolarHBondContact NE1-O 3.4Å; W274-I278 HydrophobicContact CZ2-CD1 4.25Å; W274-I278 HydrophobicContact CZ2-CG1 4.11Å; W274-L283 HydrophobicContact CH2-CB 4.33Å; W274-L283 HydrophobicContact CZ2-CB 4.28Å; W274-L283 HydrophobicContact CZ2-CD1 4.21Å; W274-C284 VanDerWaalsContact CH2-SG 3.52Å; W274-C284 VanDerWaalsContact CZ3-SG 3.56Å; W274-T292 HydrophobicContact CB-CG2 4.47Å; W274-T292 HydrophobicContact CD2-CG2 4.48Å; W274-T292 HydrophobicContact CE3-CG2 3.69Å; W274-T292 HydrophobicContact CZ3-CG2 4.38Å; W274-T292 PolarHBondContact N-O 2.86Å; W274-T292 WeakPolarHBondContact O-CG2 3.23Å; W274-L294 HydrophobicContact CB-CB 4.21Å; W274-L294 HydrophobicContact CD2-CB 3.77Å; W274-L294 HydrophobicContact CD2-CD1 4.34Å; W274-L294 HydrophobicContact CD2-CD2 4.45Å; W274-L294 HydrophobicContact CD2-CG 4.42Å; W274-L294 HydrophobicContact CE3-CB 3.9Å; W274-L294 HydrophobicContact CE3-CD1 4.07Å; W274-L294 HydrophobicContact CG-CB 3.9Å; W274-L294 HydrophobicContact CH2-CD1 3.99Å; W274-L294 HydrophobicContact CZ2-CD1 4.25Å; W274-L294 HydrophobicContact CZ3-CD1 3.91Å | ||
| 275 | D | 78.9 | Confident | 79.5 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | trans | -98.4 | 17.8 | -175.7 | 69.9 | -20.6 | 0 | 0 | 0 | 113.3 | V277 F286 L289 | D275-V277 PolarHBondContact O-N 2.86Å; D275-V277 WeakPolarHBondContact OD1-CB 3.22Å; D275-V277 PolarHBondContact OD1-N 2.88Å; D275-F286 VanDerWaalsContact C-CE1 3.44Å; D275-F286 HydrophobicContact CB-CZ 4.29Å; D275-F286 WeakPolarHBondContact O-CD1 3.38Å; D275-F286 WeakPolarHBondContact O-CE1 3.22Å; D275-F286 WeakPolarHBondContact O-CZ 3.26Å; D275-L289 HydrophobicContact CB-CD1 3.82Å | ||
| 276 | G | 78.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 70.6 | 1.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W274 L283 | W274-G276 VanDerWaalsContact CE2-CA 3.48Å; W274-G276 VanDerWaalsContact CZ2-C 3.41Å; W274-G276 VanDerWaalsContact CZ2-CA 3.47Å; G276-L283 PolarHBondContact O-N 3.44Å |
| 277 | V | 78.9 | Confident | 77.3 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 26% | 0.261 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.6 | -176.7 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | W274 D275 K281 L282 | W274-V277 PolarHBondContact NE1-O 3.4Å; D275-V277 PolarHBondContact O-N 2.86Å; D275-V277 WeakPolarHBondContact OD1-CB 3.22Å; D275-V277 PolarHBondContact OD1-N 2.88Å; V277-K281 WeakPolarHBondContact CA-O 3.39Å; V277-L282 HydrophobicContact CG2-CB 4.4Å; V277-L282 HydrophobicContact CG2-CD1 3.75Å |
| 278 | I | 78.7 | Confident | 76.5 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 134.4 | 166.9 | -53.9 | -176.7 | 0 | 0 | 0 | 108.2 | L253 W274 G280 K281 L283 L294 | L253-I278 HydrophobicContact CD1-CD1 3.86Å; L253-I278 HydrophobicContact CD2-CD1 3.62Å; L253-I278 HydrophobicContact CG-CD1 4.21Å; W274-I278 HydrophobicContact CZ2-CD1 4.25Å; W274-I278 HydrophobicContact CZ2-CG1 4.11Å; I278-G280 PolarHBondContact O-N 3.36Å; I278-G280 VanDerWaalsContact O-N 3.07Å; I278-K281 PolarHBondContact N-O 3.08Å; I278-K281 WeakPolarHBondContact O-CB 3.25Å; I278-K281 PolarHBondContact O-N 3.1Å; I278-L283 HydrophobicContact CB-CD1 4.14Å; I278-L283 HydrophobicContact CD1-CD1 3.58Å; I278-L283 HydrophobicContact CG1-CD1 3.79Å; I278-L294 HydrophobicContact CD1-CD2 3.51Å; I278-L294 HydrophobicContact CG1-CD2 4.47Å |
| 279 | D | 74 | Confident | 76 | Confident | 149 Ų | 149 | 68.3 Ų | 68.3 | 80% | 0.797 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 35.8 | -178.1 | -63.7 | -24.5 | 0 | 0 | 0 | 114.4 | K281 | D279-K281 VanDerWaalsContact C-N 3.27Å; D279-K281 PolarHBondContact O-N 2.92Å |
| 280 | G | 69.1 | Low | 75.8 | Confident | 76 Ų | 76 | 71 Ų | 71 | 78% | 0.784 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 3.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I278 | I278-G280 PolarHBondContact O-N 3.36Å; I278-G280 VanDerWaalsContact O-N 3.07Å |
| 281 | K | 73.6 | Confident | 75.7 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 54% | 0.543 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.5 | 174.8 | -173.4 | -170.6 | 174.5 | -163 | 0 | 110.4 | P254 V277 I278 D279 L283 | P254-K281 HydrophobicContact CG-CD 4.32Å; V277-K281 WeakPolarHBondContact CA-O 3.39Å; I278-K281 PolarHBondContact N-O 3.08Å; I278-K281 WeakPolarHBondContact O-CB 3.25Å; I278-K281 PolarHBondContact O-N 3.1Å; D279-K281 VanDerWaalsContact C-N 3.27Å; D279-K281 PolarHBondContact O-N 2.92Å; K281-L283 HydrophobicContact CD-CD2 3.99Å; K281-L283 HydrophobicContact CG-CD2 4.19Å |
| 282 | L | 77.9 | Confident | 75.9 | Confident | 94 Ų | 94 | 66.7 Ų | 66.7 | 49% | 0.492 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.9 | 170.5 | -173.3 | 70.2 | 0 | 0 | 0 | 109.9 | V277 C284 | V277-L282 HydrophobicContact CG2-CB 4.4Å; V277-L282 HydrophobicContact CG2-CD1 3.75Å; L282-C284 WeakPolarHBondContact CD1-O 3.41Å |
| 283 | L | 77.2 | Confident | 76.2 | Confident | 37 Ų | 37 | 69.1 Ų | 69.1 | 19% | 0.194 | 38% | 0.381 | C | S | . | . | trans | -105.7 | -36.5 | -179.2 | -57.5 | -172.4 | 0 | 0 | 0 | 112.5 | F249 L253 P254 W274 G276 I278 K281 | F249-L283 HydrophobicContact CD2-CB 4.19Å; F249-L283 HydrophobicContact CE1-CD1 4.3Å; F249-L283 HydrophobicContact CE2-CB 3.83Å; F249-L283 HydrophobicContact CE2-CD1 4.31Å; F249-L283 HydrophobicContact CZ-CB 4.21Å; F249-L283 HydrophobicContact CZ-CD1 3.83Å; L253-L283 HydrophobicContact CD2-CD1 4.37Å; P254-L283 HydrophobicContact CG-CD2 4.17Å; W274-L283 HydrophobicContact CH2-CB 4.33Å; W274-L283 HydrophobicContact CZ2-CB 4.28Å; W274-L283 HydrophobicContact CZ2-CD1 4.21Å; G276-L283 PolarHBondContact O-N 3.44Å; I278-L283 HydrophobicContact CB-CD1 4.14Å; I278-L283 HydrophobicContact CD1-CD1 3.58Å; I278-L283 HydrophobicContact CG1-CD1 3.79Å; K281-L283 HydrophobicContact CD-CD2 3.99Å; K281-L283 HydrophobicContact CG-CD2 4.19Å | ||
| 284 | C | 74.9 | Confident | 76.4 | Confident | 17 Ų | 17 | 66 Ų | 66 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | trans | -147.3 | 154 | 174.8 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | F249 W274 L282 | F249-C284 HydrophobicContact CB-CB 4.15Å; F249-C284 HydrophobicContact CD2-CB 4.46Å; W274-C284 VanDerWaalsContact CH2-SG 3.52Å; W274-C284 VanDerWaalsContact CZ3-SG 3.56Å; L282-C284 WeakPolarHBondContact CD1-O 3.41Å | ||
| 285 | N | 65.3 | Low | 76.3 | Confident | 144 Ų | 144 | 65.8 Ų | 65.8 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | trans | -79.3 | 141.4 | 162.3 | -72.7 | -13.4 | 0 | 0 | 0 | 108.9 | ||||
| 286 | F | 69 | Low | 76.5 | Confident | 79 Ų | 79 | 64.1 Ų | 64.1 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | trans | -136.2 | 164.9 | -170.3 | 65.9 | -78.3 | 0 | 0 | 0 | 111.2 | I248 D275 L289 T292 | I248-F286 HydrophobicContact CD1-CB 3.82Å; D275-F286 VanDerWaalsContact C-CE1 3.44Å; D275-F286 HydrophobicContact CB-CZ 4.29Å; D275-F286 WeakPolarHBondContact O-CD1 3.38Å; D275-F286 WeakPolarHBondContact O-CE1 3.22Å; D275-F286 WeakPolarHBondContact O-CZ 3.26Å; F286-L289 HydrophobicContact CE2-CB 4.35Å; F286-T292 HydrophobicContact CB-CG2 3.99Å; F286-T292 WeakPolarHBondContact CB-OG1 3.38Å; F286-T292 HydrophobicContact CD2-CG2 4.5Å; F286-T292 HydrophobicContact CG-CG2 4.45Å | ||
| 287 | A | 59.7 | Low | 76.5 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -86.2 | -46 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D266 | D266-A287 VanDerWaalsContact OD2-CB 3.28Å; D266-A287 WeakPolarHBondContact OD2-CB 3.41Å |
| 288 | S | 71.8 | Confident | 76.4 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 31% | 0.308 | 40% | 0.395 | S | S | . | . | trans | -156.8 | 142.9 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | E290 H291 T292 | S288-E290 PolarHBondContact O-N 3.41Å; S288-E290 PolarHBondContact OG-N 3.39Å; S288-H291 PolarHBondContact O-N 3.31Å; S288-T292 WeakPolarHBondContact O-CB 3.47Å; S288-T292 PolarHBondContact O-N 2.91Å; S288-T292 PolarHBondContact O-OG1 2.92Å | ||
| 289 | L | 76.3 | Confident | 76.5 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -39.8 | 176.1 | 175.5 | 64.5 | 0 | 0 | 0 | 111.4 | G272 D275 F286 H291 | G272-L289 CarbonylContact C-O 3.35Å; G272-L289 VanDerWaalsContact C-O 3.29Å; D275-L289 HydrophobicContact CB-CD1 3.82Å; F286-L289 HydrophobicContact CE2-CB 4.35Å; L289-H291 PolarHBondContact O-N 3.5Å |
| 290 | E | 78.8 | Confident | 76.7 | Confident | 130 Ų | 130 | 65 Ų | 65 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.6 | -177.1 | -60.4 | 178.1 | 166.1 | 0 | 0 | 112.4 | P270 I271 G272 S288 | P270-E290 CarbonylContact C-O 3.46Å; P270-E290 WeakPolarHBondContact CA-O 3.19Å; P270-E290 HydrophobicContact CB-CB 4.44Å; I271-E290 PolarHBondContact N-O 3.44Å; G272-E290 WeakPolarHBondContact CA-O 3.48Å; G272-E290 PolarHBondContact N-O 2.91Å; S288-E290 PolarHBondContact O-N 3.41Å; S288-E290 PolarHBondContact OG-N 3.39Å |
| 291 | H | 79.5 | Confident | 77 | Confident | 54 Ų | 54 | 67 Ų | 67 | 25% | 0.25 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -30.7 | -179.6 | -79.2 | -106 | 0 | 0 | 0 | 113.3 | M267 D268 S288 L289 | M267-H291 WeakPolarHBondContact CB-O 3.47Å; M267-H291 VanDerWaalsContact CG-O 3.25Å; M267-H291 WeakPolarHBondContact CG-O 3.5Å; M267-H291 PolarHBondContact N-O 2.72Å; M267-H291 PolarHBondContact O-ND1 2.82Å; D268-H291 PolarHBondContact O-CE1 2.83Å; S288-H291 PolarHBondContact O-N 3.31Å; L289-H291 PolarHBondContact O-N 3.5Å |
| 292 | T | 83.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.1 | -176.5 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | I248 D266 G272 D273 W274 F286 S288 | I248-T292 HydrophobicContact CD1-CG2 3.76Å; D266-T292 PolarHBondContact OD1-OG1 2.9Å; G272-T292 CarbonylContact C-O 3.54Å; G272-T292 WeakPolarHBondContact CA-O 3.29Å; D273-T292 PolarHBondContact N-O 2.85Å; W274-T292 HydrophobicContact CB-CG2 4.47Å; W274-T292 HydrophobicContact CD2-CG2 4.48Å; W274-T292 HydrophobicContact CE3-CG2 3.69Å; W274-T292 HydrophobicContact CZ3-CG2 4.38Å; W274-T292 PolarHBondContact N-O 2.86Å; W274-T292 WeakPolarHBondContact O-CG2 3.23Å; F286-T292 HydrophobicContact CB-CG2 3.99Å; F286-T292 WeakPolarHBondContact CB-OG1 3.38Å; F286-T292 HydrophobicContact CD2-CG2 4.5Å; F286-T292 HydrophobicContact CG-CG2 4.45Å; S288-T292 WeakPolarHBondContact O-CB 3.47Å; S288-T292 PolarHBondContact O-N 2.91Å; S288-T292 PolarHBondContact O-OG1 2.92Å |
| 293 | R | 85.5 | Confident | 76.8 | Confident | 67 Ų | 67 | 61.2 Ų | 61.2 | 25% | 0.253 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.5 | -175.8 | -163.1 | 170.4 | -173 | 72.6 | 36 | 111.7 | G264 V265 M267 I271 D273 V295 | G264-R293 CarbonylContact C-O 3.58Å; G264-R293 WeakPolarHBondContact CA-O 3.34Å; V265-R293 PolarHBondContact N-O 3.44Å; V265-R293 PolarHBondContact O-N 3.08Å; M267-R293 HydrophobicContact CG-CB 4.07Å; I271-R293 PolarHBondContact O-NH1 2.97Å; D273-R293 IonicContact OD1-CZ 2.72Å; D273-R293 IonicContact OD1-NH1 2.72Å; D273-R293 PolarHBondContact OD1-NH1 2.71Å; D273-R293 IonicContact OD1-NH2 3.15Å; D273-R293 PolarHBondContact OD1-NH2 3.34Å; D273-R293 IonicContact OD2-CZ 3.55Å; D273-R293 IonicContact OD2-NH1 3.54Å; D273-R293 PolarHBondContact OD2-NH1 3.4Å; D273-R293 IonicContact OD2-NH2 3.93Å; D273-R293 PolarHBondContact OD2-NH2 2.72Å; R293-V295 HydrophobicContact CG-CG1 4.4Å |
| 294 | L | 88.1 | Confident | 75.8 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.3 | 174.6 | -170.4 | 72.7 | 0 | 0 | 0 | 110.5 | F249 L253 Y262 W274 I278 | F249-L294 HydrophobicContact CD1-CD1 4.15Å; F249-L294 HydrophobicContact CE1-CD1 4.4Å; L253-L294 HydrophobicContact CD1-CD2 4.05Å; L253-L294 HydrophobicContact CD2-CD2 4.4Å; Y262-L294 HydrophobicContact CD1-CD2 4.49Å; Y262-L294 HydrophobicContact CD1-CG 4.25Å; W274-L294 HydrophobicContact CB-CB 4.21Å; W274-L294 HydrophobicContact CD2-CB 3.77Å; W274-L294 HydrophobicContact CD2-CD1 4.34Å; W274-L294 HydrophobicContact CD2-CD2 4.45Å; W274-L294 HydrophobicContact CD2-CG 4.42Å; W274-L294 HydrophobicContact CE3-CB 3.9Å; W274-L294 HydrophobicContact CE3-CD1 4.07Å; W274-L294 HydrophobicContact CG-CB 3.9Å; W274-L294 HydrophobicContact CH2-CD1 3.99Å; W274-L294 HydrophobicContact CZ2-CD1 4.25Å; W274-L294 HydrophobicContact CZ3-CD1 3.91Å; I278-L294 HydrophobicContact CD1-CD2 3.51Å; I278-L294 HydrophobicContact CG1-CD2 4.47Å |
| 295 | V | 84.3 | Confident | 73.9 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 154.8 | -178.2 | -70.8 | 0 | 0 | 0 | 0 | 112 | V236 Y262 V263 V265 R293 D299 V300 | V236-V295 HydrophobicContact CG1-CB 4.38Å; V236-V295 HydrophobicContact CG1-CG1 3.81Å; V236-V295 HydrophobicContact CG1-CG2 3.96Å; Y262-V295 CarbonylContact C-O 3.59Å; Y262-V295 WeakPolarHBondContact CA-O 3.3Å; Y262-V295 WeakPolarHBondContact CD1-O 3.23Å; V263-V295 PolarHBondContact N-O 2.75Å; V263-V295 PolarHBondContact O-N 2.88Å; V265-V295 HydrophobicContact CG2-CG2 4.41Å; R293-V295 HydrophobicContact CG-CG1 4.4Å; V295-D299 HydrophobicContact CB-CB 4.43Å; V295-V300 HydrophobicContact CG2-CG2 3.45Å; V295-V300 VanDerWaalsContact CG2-CG2 3.45Å |
| 296 | P | 81.8 | Confident | 72.3 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 25% | 0.253 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 149.2 | 168.1 | -19.1 | 31.9 | 0 | 0 | 0 | 111.4 | Y262 C298 D299 | Y262-P296 HydrophobicContact CD1-CG 4.43Å; Y262-P296 HydrophobicContact CE1-CB 4.35Å; Y262-P296 HydrophobicContact CE1-CG 3.83Å; P296-C298 PolarHBondContact O-N 2.79Å; P296-C298 VanDerWaalsContact O-N 3.11Å; P296-D299 WeakPolarHBondContact CD-OD2 3.48Å; P296-D299 PolarHBondContact O-N 3.23Å |
| 297 | I | 79.1 | Confident | 70.4 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 35% | 0.349 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -59.8 | -24.8 | -178.5 | -166 | 162.8 | 0 | 0 | 0 | 114.3 | L228 Y261 V263 D299 V300 | L228-I297 HydrophobicContact CD1-CD1 4.28Å; L228-I297 HydrophobicContact CD1-CG1 3.9Å; Y261-I297 WeakPolarHBondContact O-CB 3.2Å; Y261-I297 PolarHBondContact O-N 3.06Å; V263-I297 HydrophobicContact CG2-CB 3.95Å; V263-I297 HydrophobicContact CG2-CD1 4.37Å; V263-I297 HydrophobicContact CG2-CG1 3.87Å; I297-D299 VanDerWaalsContact C-N 3.26Å; I297-D299 PolarHBondContact O-N 2.84Å; I297-V300 PolarHBondContact O-N 2.84Å |
| 298 | C | 76.8 | Confident | 68.8 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 70% | 0.696 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -71.5 | -16 | 177 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | P296 V300 | P296-C298 PolarHBondContact O-N 2.79Å; P296-C298 VanDerWaalsContact O-N 3.11Å; C298-V300 VanDerWaalsContact C-N 3.33Å |
| 299 | D | 81.1 | Confident | 66.6 | Low | 62 Ų | 62 | 90.3 Ų | 90.3 | 33% | 0.332 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -95.3 | 9.4 | -177.9 | -60.7 | -10 | 0 | 0 | 0 | 111.7 | V236 Q237 V295 P296 I297 | V236-D299 CarbonylContact C-O 3.49Å; V236-D299 WeakPolarHBondContact CA-O 3.34Å; Q237-D299 PolarHBondContact N-O 2.83Å; V295-D299 HydrophobicContact CB-CB 4.43Å; P296-D299 WeakPolarHBondContact CD-OD2 3.48Å; P296-D299 PolarHBondContact O-N 3.23Å; I297-D299 VanDerWaalsContact C-N 3.26Å; I297-D299 PolarHBondContact O-N 2.84Å |
| 300 | V | 78.5 | Confident | 64.2 | Low | 13 Ų | 13 | 96.8 Ų | 96.8 | 8% | 0.079 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128 | -174.6 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | L228 V234 V236 V263 V295 I297 C298 | L228-V300 HydrophobicContact CD1-CB 4.11Å; L228-V300 HydrophobicContact CD1-CG1 3.89Å; V234-V300 HydrophobicContact CB-CG1 3.66Å; V234-V300 HydrophobicContact CG1-CG1 3.67Å; V234-V300 HydrophobicContact CG2-CG1 3.86Å; V236-V300 HydrophobicContact CG2-CG2 4.43Å; V263-V300 HydrophobicContact CB-CG2 4.05Å; V263-V300 HydrophobicContact CG1-CG2 4.36Å; V263-V300 HydrophobicContact CG2-CG2 4.27Å; V295-V300 HydrophobicContact CG2-CG2 3.45Å; V295-V300 VanDerWaalsContact CG2-CG2 3.45Å; I297-V300 PolarHBondContact O-N 2.84Å; C298-V300 VanDerWaalsContact C-N 3.33Å |
| 301 | M | 73.8 | Confident | 61.8 | Low | 117 Ų | 117 | 97.3 Ų | 97.3 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.4 | 180 | -66 | 176 | 59.7 | 0 | 0 | 111.5 | V234 L235 | V234-M301 CarbonylContact C-O 3.6Å; V234-M301 WeakPolarHBondContact CA-O 3.42Å; V234-M301 VanDerWaalsContact CB-O 3.28Å; V234-M301 WeakPolarHBondContact CB-O 3.37Å; L235-M301 PolarHBondContact N-O 3.32Å; L235-M301 PolarHBondContact O-N 3.29Å |
| 302 | P | 76.7 | Confident | 59.2 | Low | 55 Ų | 55 | 102 Ų | 102 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 146.1 | 174.2 | -21.4 | 33 | 0 | 0 | 0 | 114.1 | L228 Y304 | L228-P302 HydrophobicContact CD2-CG 4.36Å; P302-Y304 HydrophobicContact CB-CD2 4.34Å; P302-Y304 HydrophobicContact CB-CE2 3.74Å; P302-Y304 HydrophobicContact CG-CE2 4.18Å; P302-Y304 WeakPolarHBondContact O-CD2 3.41Å; P302-Y304 PolarHBondContact O-N 3.43Å |
| 303 | E | 72.4 | Confident | 56.4 | Low | 42 Ų | 42 | 109.4 Ų | 109.4 | 20% | 0.196 | 54% | 0.54 | C | S | . | . | trans | -86.6 | 79.7 | -177.6 | -168.1 | 179.8 | -175.6 | 0 | 0 | 113 | R233 R244 | R233-E303 HydrophobicContact CB-CB 4.1Å; R233-E303 IonicContact CZ-OE2 3.11Å; R233-E303 VanDerWaalsContact CZ-OE2 3.25Å; R233-E303 IonicContact NE-OE2 2.59Å; R233-E303 PolarHBondContact NE-OE2 3.02Å; R233-E303 IonicContact NH2-OE1 3.87Å; R233-E303 IonicContact NH2-OE2 2.74Å; R233-E303 PolarHBondContact NH2-OE2 3.22Å; R233-E303 WeakPolarHBondContact O-CB 3.43Å; R233-E303 PolarHBondContact O-N 2.92Å; R244-E303 WeakPolarHBondContact CD-OE1 3.23Å; R244-E303 IonicContact CZ-OE1 3.65Å; R244-E303 IonicContact NE-OE1 3.95Å; R244-E303 PolarHBondContact NE-OE1 3.4Å; R244-E303 IonicContact NH1-OE1 2.71Å; R244-E303 PolarHBondContact NH1-OE1 2.91Å | ||
| 304 | Y | 55.3 | Low | 53.6 | Low | 184 Ų | 184 | 114.1 Ų | 114.1 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | trans | -72.8 | 138.3 | 177.2 | -59.5 | -81.5 | 0 | 0 | 0 | 113.4 | P302 | P302-Y304 HydrophobicContact CB-CD2 4.34Å; P302-Y304 HydrophobicContact CB-CE2 3.74Å; P302-Y304 HydrophobicContact CG-CE2 4.18Å; P302-Y304 WeakPolarHBondContact O-CD2 3.41Å; P302-Y304 PolarHBondContact O-N 3.43Å | ||
| 305 | S | 34.9 | Very low | 50.5 | Low | 120 Ų | 120 | 116.7 Ų | 116.7 | 84% | 0.839 | 59% | 0.586 | S | S | * | * | trans | -97.6 | 109.7 | -176 | -73.4 | 0 | 0 | 0 | 0 | 113.7 | Q307 | S305-Q307 PolarHBondContact O-N 3.04Š| ||
| 306 | M | 31.3 | Very low | 47.7 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 90% | 0.897 | 62% | 0.62 | S | S | * | * | trans | -82.4 | 101.8 | -178.8 | -76.9 | -83.5 | 179 | 0 | 0 | 113.4 | ||||
| 307 | Q | 28.5 | Very low | 44.9 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | trans | -152 | 45.4 | 178.8 | -157.2 | 82.7 | 87.2 | 0 | 0 | 116.6 | S305 | S305-Q307 PolarHBondContact O-N 3.04Š| ||
| 308 | D | 26.1 | Very low | 43.4 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 66% | 0.662 | S | S | * | * | trans | -179 | 110.6 | 130.5 | -104.2 | -27 | 0 | 0 | 0 | 114.9 | ||||
| 309 | Q | 25.7 | Very low | 40.9 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 68% | 0.675 | S | S | * | * | trans | -151.9 | 111.7 | 146.7 | -91.7 | -155.7 | 22.3 | 0 | 0 | 109.7 | ||||
| 310 | R | 26.9 | Very low | 38.1 | Very low | 224 Ų | 224 | 138.8 Ų | 138.8 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | trans | -147.2 | 114 | 166.3 | -86.4 | -164 | 175.7 | -177.5 | 0.8 | 113 | ||||
| 311 | L | 28.7 | Very low | 35.5 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 76.5 | 144.6 | 150.5 | -53 | 165.1 | 0 | 0 | 0 | 114.9 | ||||
| 312 | Q | 24.5 | Very low | 33.1 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | cis | -160.4 | 147.5 | 12 | -130.6 | 166.4 | 90.8 | 0 | 0 | 112.6 | ||||
| 313 | K | 25.2 | Very low | 30.6 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | 24.5 | 147.9 | 130.7 | -69.5 | 176.6 | 161.4 | -147.7 | 0 | 120.2 | ||||
| 314 | H | 26.2 | Very low | 28.4 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | -171.6 | 142 | 18.6 | -116.6 | -34.1 | 0 | 0 | 0 | 112.4 | ||||
| 315 | S | 22.9 | Very low | 27 | Very low | 90 Ų | 90 | 147.6 Ų | 147.6 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | 46 | 129.6 | 138.6 | 63.5 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 316 | F | 24.9 | Very low | 26.5 | Very low | 183 Ų | 183 | 147 Ų | 147 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | trans | 81.7 | 87 | 133.8 | -93.3 | -90.2 | 0 | 0 | 0 | 124.6 | ||||
| 317 | T | 22.9 | Very low | 26.1 | Very low | 119 Ų | 119 | 144 Ų | 144 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | 69.4 | 173.9 | 131.6 | 76.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 318 | P | 47.6 | Very low | 26 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | -136.3 | 158.3 | -109.5 | 31.6 | -6.7 | 0 | 0 | 0 | 117.9 | |||||
| 319 | R | 24.7 | Very low | 26 | Very low | 254 Ų | 254 | 141.1 Ų | 141.1 | 96% | 0.958 | 77% | 0.768 | S | S | * | * | trans | -168.1 | 153.8 | 150.6 | -106.7 | 159.4 | -157.7 | -138.4 | 2.3 | 109.9 | ||||
| 320 | G | 22.3 | Very low | 26 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -116 | -154.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 321 | S | 23 | Very low | 26.1 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 90.9 | 107.4 | -178.9 | -157.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 322 | S | 23.6 | Very low | 26.5 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 69.7 | 137.6 | 132.6 | 62.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 323 | S | 25.9 | Very low | 26.5 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 78.3 | 109.7 | 139 | 61.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 324 | D | 26.4 | Very low | 26.6 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | 80.3 | 105.4 | 124.5 | -80.3 | -7.4 | 0 | 0 | 0 | 124.1 | |||||
| 325 | K | 25.1 | Very low | 26.6 | Very low | 162 Ų | 162 | 135 Ų | 135 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | 75 | 148.6 | 118.6 | -67.5 | 179.9 | -177 | 83.2 | 0 | 121.8 | |||||
| 326 | S | 23.4 | Very low | 26.7 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 63 | 119.2 | 163.3 | 49.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 327 | S | 24.1 | Very low | 26.7 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | cis | 80.7 | 108.5 | 42.5 | 81 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 328 | G | 25 | Very low | 26.8 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 179.7 | 66.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 329 | Q | 27.1 | Very low | 25.9 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | 37 | 113.3 | 146.5 | -68.1 | -176.9 | -13.8 | 0 | 0 | 123.7 | ||||
| 330 | S | 25.5 | Very low | 26.2 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | 59 | 119.3 | 128.1 | 67 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 331 | K | 28.4 | Very low | 26.1 | Very low | 202 Ų | 202 | 132.3 Ų | 132.3 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | 31.9 | 136.9 | 124.4 | -74.7 | 178.4 | 178.4 | 172.8 | 0 | 119.7 | |||||
| 332 | P | 37.1 | Very low | 26.2 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | -158.8 | 165.3 | 80.1 | 42.2 | -23.6 | 0 | 0 | 0 | 119.6 | |||||
| 333 | K | 25.5 | Very low | 26.4 | Very low | 202 Ų | 202 | 130 Ų | 130 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | 55.8 | 150.4 | 141.4 | -73.7 | 173 | -178 | 174.6 | 0 | 120.4 | ||||
| 334 | S | 27.3 | Very low | 26.4 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | cis | -175.9 | 169.8 | -4.8 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 335 | K | 25.4 | Very low | 26.5 | Very low | 206 Ų | 206 | 136.1 Ų | 136.1 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | 75.3 | 147.1 | 166.4 | -53.8 | 173.4 | -176.5 | 178.2 | 0 | 116.8 | ||||
| 336 | G | 24.9 | Very low | 26.6 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | 143.4 | 151.8 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 337 | L | 25.6 | Very low | 26.8 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | trans | 77.1 | 143.7 | -172.9 | -49.3 | 169.9 | 0 | 0 | 0 | 113.3 | ||||
| 338 | G | 25.5 | Very low | 26.9 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | cis | 127.9 | 142.5 | 9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 339 | L | 27.7 | Very low | 26.9 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | cis | -159.9 | 172 | 15.4 | -80.9 | 152.6 | 0 | 0 | 0 | 106.7 | ||||
| 340 | Q | 30.3 | Very low | 26.7 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | cis | 168.4 | 142.1 | -22 | -171.1 | -175.3 | 56.5 | 0 | 0 | 108.7 | ||||
| 341 | C | 20.7 | Very low | 26.7 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -172.7 | 158.8 | 149.4 | -151.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 342 | G | 26.4 | Very low | 26.5 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | cis | 151.3 | 151.1 | -15.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 343 | S | 26.4 | Very low | 26 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -171 | 108.4 | -10.7 | 165.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 344 | R | 27 | Very low | 26 | Very low | 239 Ų | 239 | 139.3 Ų | 139.3 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | 70.9 | 163.8 | 149 | -58.8 | 169.2 | 169.7 | 177.5 | -6.7 | 118.4 | ||||
| 345 | S | 27.3 | Very low | 25.8 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | cis | 179.1 | 179.6 | -31.8 | -154.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 346 | K | 28.5 | Very low | 25.8 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | cis | -167.1 | 159.1 | 9.5 | -173.9 | -164.4 | 148.8 | -96.2 | 0 | 109.1 | E348 | K346-E348 IonicContact NZ-OE1 2.66Å; K346-E348 PolarHBondContact NZ-OE1 3.4Å | ||
| 347 | S | 27.5 | Very low | 25.8 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | trans | 69.7 | 159.1 | 148.4 | 37.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 348 | E | 26.2 | Very low | 25.9 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -167.9 | 160.8 | -5.4 | -113.4 | 160 | -141.6 | 0 | 0 | 114.7 | K346 | K346-E348 IonicContact NZ-OE1 2.66Å; K346-E348 PolarHBondContact NZ-OE1 3.4Å | ||
| 349 | L | 24.3 | Very low | 25.8 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | 65.8 | 129.5 | 145.6 | -60.6 | 164.7 | 0 | 0 | 0 | 126 | ||||
| 350 | Y | 24.2 | Very low | 25.7 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | 48.4 | 137.4 | 136.8 | -79.4 | -109 | 0 | 0 | 0 | 125.3 | ||||
| 351 | Y | 25.2 | Very low | 26.6 | Very low | 215 Ų | 215 | 135.3 Ų | 135.3 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | -174.8 | -174.7 | 108.2 | -111.6 | -75.3 | 0 | 0 | 0 | 114.6 | |||||
| 352 | T | 23.8 | Very low | 26.8 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | trans | -144.3 | 162.5 | -164.5 | 51.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 353 | L | 26.1 | Very low | 26.8 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | 61.1 | 122.9 | 150.8 | -79 | 165.1 | 0 | 0 | 0 | 122.8 | ||||
| 354 | N | 26.4 | Very low | 26.8 | Very low | 166 Ų | 166 | 141 Ų | 141 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | 157.9 | 156 | 132.8 | -82 | -23.2 | 0 | 0 | 0 | 110.5 | ||||
| 355 | G | 22.8 | Very low | 26.8 | Very low | 58 Ų | 58 | 139.2 Ų | 139.2 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | cis | 144.1 | 125.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 356 | S | 24.8 | Very low | 26.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | 63.6 | 161.9 | 171.1 | 59.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 357 | S | 25.4 | Very low | 26.6 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | -173.7 | -179.3 | -30.4 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 358 | V | 26.9 | Very low | 26.5 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | 75 | 124.5 | 159.8 | -95.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 359 | D | 24.9 | Very low | 26.5 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 89.1 | 136.2 | 137 | -74 | -34.1 | 0 | 0 | 0 | 125.5 | ||||
| 360 | H | 25.4 | Very low | 26.5 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -97.5 | -163.5 | 169 | -64.7 | -68.5 | 0 | 0 | 0 | 109.9 | ||||
| 361 | P | 48.8 | Very low | 26.5 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -124.8 | -171.4 | -32.1 | 18.6 | 5 | 0 | 0 | 0 | 111.6 | ||||
| 362 | V | 25 | Very low | 26.6 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | 160.3 | 155.2 | 121.3 | 160.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 363 | Q | 26.1 | Very low | 26.8 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -85.8 | 155.1 | -176 | -54.4 | 167.4 | -14.5 | 0 | 0 | 113.1 | ||||
| 364 | A | 27.2 | Very low | 27 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | 147.1 | 126.7 | 108.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 365 | K | 26.1 | Very low | 27 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | 11.9 | 130.3 | 142.7 | -55.5 | 170.6 | -178.4 | 174.3 | 0 | 118.9 | ||||
| 366 | S | 27.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | 177.9 | 153.2 | 99 | 58.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 367 | K | 24.6 | Very low | 27.4 | Very low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | 12.8 | 156.4 | 139.4 | -64 | -178.4 | 179.7 | -176.4 | 0 | 122 | ||||
| 368 | S | 25.5 | Very low | 27.7 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | 176.1 | 150.6 | -22.9 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 369 | T | 24.9 | Very low | 28.6 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | trans | 77.6 | 153.7 | 149.6 | -14.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 370 | W | 24.2 | Very low | 28.9 | Very low | 217 Ų | 217 | 138.4 Ų | 138.4 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 85.9 | 140.5 | 156.5 | -58 | 132.7 | 0 | 0 | 0 | 119.2 | ||||
| 371 | Y | 25.7 | Very low | 29.2 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 64% | 0.635 | 75% | 0.747 | S | S | * | * | cis | -170.3 | -171.1 | -11.9 | -173.4 | -124 | 0 | 0 | 0 | 111.4 | D373 | Y371-D373 WeakPolarHBondContact CE1-OD1 3.4Å; Y371-D373 VanDerWaalsContact CE1-OD2 3.23Å; Y371-D373 WeakPolarHBondContact CE1-OD2 3.43Å; Y371-D373 PolarHBondContact OH-OD1 3Å | ||
| 372 | I | 27.6 | Very low | 28.2 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 86.8 | 136.6 | 163.1 | -56.4 | -174.2 | 0 | 0 | 0 | 117.4 | ||||
| 373 | D | 27 | Very low | 28.3 | Very low | 104 Ų | 104 | 139 Ų | 139 | 56% | 0.556 | 74% | 0.742 | S | S | * | * | cis | -179.2 | 169.1 | -32.2 | -85.9 | -44.5 | 0 | 0 | 0 | 105.6 | Y371 | Y371-D373 WeakPolarHBondContact CE1-OD1 3.4Å; Y371-D373 VanDerWaalsContact CE1-OD2 3.23Å; Y371-D373 WeakPolarHBondContact CE1-OD2 3.43Å; Y371-D373 PolarHBondContact OH-OD1 3Å | ||
| 374 | E | 30.5 | Very low | 28.5 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | cis | -124 | -124.5 | -4.6 | -161.5 | -166.1 | -103.1 | 0 | 0 | 108.7 | ||||
| 375 | V | 27.1 | Very low | 28.4 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 75% | 0.745 | 74% | 0.738 | S | S | * | * | cis | -149.1 | 163.8 | -3.6 | -172.6 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 376 | G | 27.7 | Very low | 28.5 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | cis | 107.5 | 130.4 | 21.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 377 | E | 28.1 | Very low | 30 | Very low | 205 Ų | 205 | 135.9 Ų | 135.9 | 96% | 0.958 | 74% | 0.735 | S | S | * | * | cis | -153 | 166.8 | -0.4 | -61.2 | -171.8 | 104.2 | 0 | 0 | 112.5 | ||||
| 378 | D | 30.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | -158.6 | 148.2 | 164.2 | 169.9 | 55.7 | 0 | 0 | 0 | 113.7 | A380 | D378-A380 PolarHBondContact OD1-N 3.06Š| ||
| 379 | P | 46.5 | Very low | 31.3 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -124.5 | -2.6 | 171.2 | 33.8 | -15.9 | 0 | 0 | 0 | 119.8 | ||||
| 380 | A | 31 | Very low | 31.5 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 58% | 0.579 | 75% | 0.75 | S | S | * | * | trans | 63.1 | 177.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | D378 | D378-A380 PolarHBondContact OD1-N 3.06Š| ||
| 381 | K | 31.2 | Very low | 31.6 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | 85.4 | 157.4 | 164.3 | -56 | 172.6 | -173.8 | 170.1 | 0 | 120 | ||||
| 382 | S | 28.4 | Very low | 31.6 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -176 | 152.4 | -32.5 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 383 | L | 28.5 | Very low | 31.5 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 83.9 | 128.9 | 152.3 | -67.1 | 166.8 | 0 | 0 | 0 | 124.1 | ||||
| 384 | T | 28.3 | Very low | 31.5 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 82.5 | 140 | 136.3 | 44.1 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 385 | D | 25.9 | Very low | 32.1 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 89.7 | 154 | 149.5 | -63.5 | -8.8 | 0 | 0 | 0 | 124.1 | ||||
| 386 | T | 28.7 | Very low | 33.1 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -157.7 | 176.4 | -162.2 | 57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 387 | P | 59.1 | Low | 33 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | -109.4 | -97.9 | -16.4 | 27.7 | -5.9 | 0 | 0 | 0 | 110.9 | ||||
| 388 | P | 47.3 | Very low | 33 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -122.7 | 173.2 | -11.3 | 41.9 | -25.7 | 0 | 0 | 0 | 117 | ||||
| 389 | D | 28.8 | Very low | 32.8 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -12.5 | 142.2 | 164.7 | -52.7 | -28.2 | 0 | 0 | 0 | 123.3 | ||||
| 390 | F | 28.9 | Very low | 32.4 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | -149.7 | 173 | 112.4 | -127.4 | -91.3 | 0 | 0 | 0 | 112.2 | |||||
| 391 | N | 26.6 | Very low | 32.6 | Very low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | -156.6 | 127.4 | -153.2 | 159.1 | 59.3 | 0 | 0 | 0 | 115.6 | ||||
| 392 | E | 26.2 | Very low | 32.4 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -147.8 | 112.9 | 163.3 | -78.1 | -168.8 | 165.2 | 0 | 0 | 110 | ||||
| 393 | T | 25.1 | Very low | 32.1 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 57% | 0.571 | 78% | 0.778 | S | S | * | * | 72.9 | 99 | 71 | 60.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 394 | T | 27.9 | Very low | 32 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | 73.5 | 163.1 | 76 | 63.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 395 | P | 42.7 | Very low | 31.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | cis | -130.2 | -114.1 | -18.8 | 23.6 | 3.8 | 0 | 0 | 0 | 116.2 | ||||
| 396 | P | 47.4 | Very low | 31.9 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | -132.5 | 175.7 | -111 | 42.7 | -25.5 | 0 | 0 | 0 | 118.4 | |||||
| 397 | T | 26.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -179.6 | 170.7 | 147.8 | 18.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 398 | R | 27.3 | Very low | 30.1 | Very low | 234 Ų | 234 | 134.8 Ų | 134.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | -174.9 | 128.8 | -53.4 | 174.4 | 173.8 | 179.3 | 178.4 | 1.9 | 108.1 | |||||
| 399 | A | 27 | Very low | 29 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | trans | -76.5 | 163.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 400 | P | 36.8 | Very low | 28.8 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | cis | -146.7 | -151.8 | 48.5 | 46 | -24.2 | 0 | 0 | 0 | 112.3 | ||||
| 401 | P | 35.1 | Very low | 28.5 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | cis | -129 | -170.8 | -10.8 | 42.4 | -24.9 | 0 | 0 | 0 | 115 | ||||
| 402 | S | 26.9 | Very low | 28.4 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -83 | 148.4 | -175.6 | 54.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 403 | A | 23.1 | Very low | 28.5 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -142.4 | 134.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 404 | S | 25.3 | Very low | 28.5 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -101.7 | 125 | -176.3 | 54.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 405 | L | 25.2 | Very low | 28.8 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -138.4 | 129.2 | 157.4 | -77.1 | 180 | 0 | 0 | 0 | 110.3 | ||||
| 406 | S | 28.1 | Very low | 27.9 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -71.7 | 145.6 | 166.4 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 407 | N | 25.2 | Very low | 26.8 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -141.7 | 128.6 | 156 | -102.2 | -31 | 0 | 0 | 0 | 109.4 | ||||
| 408 | D | 23.6 | Very low | 26.7 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 134 | 178.5 | -60.3 | -61.7 | 0 | 0 | 0 | 110.9 | K410 | D408-K410 HydrophobicContact CB-CG 4.39Å; D408-K410 PolarHBondContact O-N 3.44Å | ||
| 409 | N | 24.8 | Very low | 26.6 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 95% | 0.952 | 79% | 0.788 | S | S | * | * | trans | -74.3 | 68.4 | 162.2 | -85.4 | -17.3 | 0 | 0 | 0 | 110.5 | F411 | N409-F411 PolarHBondContact O-N 3.45Š| ||
| 410 | K | 23.8 | Very low | 26.5 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | trans | -73.1 | 116.8 | 156 | -77.5 | 175.9 | 178.3 | 166.6 | 0 | 108.2 | D408 | D408-K410 HydrophobicContact CB-CG 4.39Å; D408-K410 PolarHBondContact O-N 3.44Å | ||
| 411 | F | 22.8 | Very low | 26 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | -156.3 | 147 | 107.6 | -109 | -72.2 | 0 | 0 | 0 | 111.5 | N409 | N409-F411 PolarHBondContact O-N 3.45Š| |||
| 412 | H | 26.2 | Very low | 25.6 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | -90.9 | 144.3 | -160.6 | -76.7 | -91.3 | 0 | 0 | 0 | 114.7 | ||||
| 413 | S | 27.9 | Very low | 25.5 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -18.3 | 140.9 | 137.3 | 55.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 414 | L | 24.9 | Very low | 26.2 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -137.4 | -178.7 | 156.3 | -63.7 | 175.9 | 0 | 0 | 0 | 108 | ||||
| 415 | P | 33.5 | Very low | 26.3 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 60% | 0.604 | 81% | 0.805 | S | S | * | * | -129.8 | 179 | -81.2 | 42.7 | -26.6 | 0 | 0 | 0 | 111.6 | |||||
| 416 | F | 25 | Very low | 26.4 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | cis | -137.3 | 165.3 | 2.3 | -78.5 | -80.5 | 0 | 0 | 0 | 109.7 | ||||
| 417 | S | 22.9 | Very low | 26.2 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -146.7 | 119.8 | 147.3 | 58 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 418 | L | 25 | Very low | 26.3 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -96.5 | 108.5 | -179.5 | -83.2 | 169.8 | 0 | 0 | 0 | 110.5 | ||||
| 419 | S | 25.1 | Very low | 26.4 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -150.8 | 89.3 | 170.6 | -84 | 0 | 0 | 0 | 0 | 110.9 | K421 | S419-K421 PolarHBondContact O-N 3.05Š| ||
| 420 | R | 26.2 | Very low | 26.6 | Very low | 250 Ų | 250 | 143 Ų | 143 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -71.4 | 123.4 | 169.1 | -76.8 | -179.1 | 169.3 | 179.6 | -3.1 | 109.6 | ||||
| 421 | K | 26.3 | Very low | 26.6 | Very low | 205 Ų | 205 | 139.4 Ų | 139.4 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -117 | 130.5 | 159.2 | -73.4 | -173.8 | 176.7 | 179.5 | 0 | 108.9 | S419 | S419-K421 PolarHBondContact O-N 3.05Š| ||
| 422 | T | 25.1 | Very low | 27.6 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -90.1 | 147.9 | 179.6 | 28.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 423 | G | 26.3 | Very low | 27.5 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -92.9 | 172.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 424 | P | 37.7 | Very low | 27.4 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | trans | -109.5 | 170.3 | -157.2 | 40.5 | -35.9 | 0 | 0 | 0 | 117.1 | ||||
| 425 | N | 26.9 | Very low | 27.3 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | 77 | 122 | 161 | -63 | -11.9 | 0 | 0 | 0 | 119.9 | ||||
| 426 | G | 26.2 | Very low | 26.9 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 165.3 | 108 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 427 | S | 25.1 | Very low | 26.9 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -78.8 | 165.3 | 176.6 | -150 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 428 | M | 27.7 | Very low | 27 | Very low | 155 Ų | 155 | 136 Ų | 136 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | cis | -153.9 | 164.3 | 25.7 | -59.6 | 167.3 | 50.7 | 0 | 0 | 112.7 | ||||
| 429 | S | 24.5 | Very low | 26.9 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | trans | 45 | 139.6 | 142.6 | 62.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 430 | H | 28.8 | Very low | 26.9 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | cis | -142.5 | 166.3 | 23.8 | -73.9 | -101.9 | 0 | 0 | 0 | 112.6 | ||||
| 431 | G | 25.3 | Very low | 26.8 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -105.3 | -152.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 432 | P | 43.2 | Very low | 26.6 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -139.3 | -157.8 | 10.5 | 43.1 | -23.3 | 0 | 0 | 0 | 115.5 | ||||
| 433 | L | 24.1 | Very low | 26.5 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 85.2 | 151.9 | -178.6 | -50.3 | 179.4 | 0 | 0 | 0 | 114.2 | ||||
| 434 | S | 25.2 | Very low | 26.3 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | -143.6 | -174.5 | 4.2 | -154.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 435 | L | 23.8 | Very low | 25.7 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -117.5 | 150.4 | 176.9 | -58.8 | 172.4 | 0 | 0 | 0 | 109.2 | ||||
| 436 | S | 24.7 | Very low | 25.6 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | 81 | 134.3 | 22.5 | 98.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 437 | V | 24.8 | Very low | 25.4 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | cis | -163.4 | 175.2 | 4.9 | 69.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 438 | Q | 24.2 | Very low | 26.5 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 68.8 | 166.8 | 170.1 | -72.5 | 162.7 | 7.7 | 0 | 0 | 116 | ||||
| 439 | S | 24.8 | Very low | 26.8 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | -173.2 | 172.6 | -31.2 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 440 | V | 23.9 | Very low | 27.1 | Very low | 119 Ų | 119 | 133 Ų | 133 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | 81.6 | 124.5 | 160.5 | -162.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 441 | M | 23.8 | Very low | 27.1 | Very low | 189 Ų | 189 | 128.8 Ų | 128.8 | 93% | 0.931 | 77% | 0.767 | S | S | * | * | trans | 26.6 | 144.9 | 153.7 | -58.3 | 175 | 175.5 | 0 | 0 | 124.4 | ||||
| 442 | G | 22.8 | Very low | 27.3 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 148.4 | 95 | 141.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 443 | E | 22.8 | Very low | 27 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 52.2 | 144.2 | 142.4 | -74.1 | -159.6 | 81.3 | 0 | 0 | 127.5 | ||||
| 444 | Q | 22.4 | Very low | 27.5 | Very low | 178 Ų | 178 | 128.7 Ų | 128.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 82.1 | 164.4 | 147.3 | -74.4 | 174.9 | 41 | 0 | 0 | 122.4 | ||||
| 445 | M | 24.3 | Very low | 27.7 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | -136.1 | 168.2 | -145.2 | -161.9 | -169.9 | -177.4 | 0 | 0 | 112.9 | E447 | M445-E447 HydrophobicContact CE-CG 3.96Š| ||
| 446 | P | 24.6 | Very low | 28.1 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | -142.3 | 172.8 | 124.6 | 37 | -22.3 | 0 | 0 | 0 | 116.5 | |||||
| 447 | E | 22.4 | Very low | 28.4 | Very low | 156 Ų | 156 | 135 Ų | 135 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | -133.9 | -173 | -173.5 | -128.4 | -170.3 | -148.7 | 0 | 0 | 109.1 | M445 | M445-E447 HydrophobicContact CE-CG 3.96Š| ||
| 448 | P | 47.9 | Very low | 28.8 | Very low | 102 Ų | 102 | 135 Ų | 135 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | cis | -127 | -154.1 | -24.7 | 38.3 | -17.1 | 0 | 0 | 0 | 110.7 | ||||
| 449 | P | 34.9 | Very low | 29.2 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | -140.6 | 179.6 | 65 | 33.8 | -11.1 | 0 | 0 | 0 | 116.2 | |||||
| 450 | S | 30.4 | Very low | 29.4 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -111.7 | 178.4 | -166.7 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 451 | S | 29.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | cis | -178.1 | 148.9 | 45.4 | 45.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 452 | S | 28.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 65.9 | 163.7 | 145.1 | 74.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 453 | P | 37.5 | Very low | 30.8 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -130.2 | 169.9 | -38.2 | 35.2 | -18.4 | 0 | 0 | 0 | 114.2 | ||||
| 454 | P | 34.8 | Very low | 31.1 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -104.5 | 176.3 | -174.7 | 40.2 | -36 | 0 | 0 | 0 | 116.2 | ||||
| 455 | S | 27.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -137.2 | 157.2 | 170.9 | -81.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 456 | P | 33.9 | Very low | 31.8 | Very low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -94.7 | 160.2 | -157.8 | 36.3 | -37.3 | 0 | 0 | 0 | 116.9 | ||||
| 457 | R | 30.8 | Very low | 31.9 | Very low | 237 Ų | 237 | 128.6 Ų | 128.6 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | -130.9 | 149.1 | 168 | -171.1 | 174.4 | -118 | -116.4 | 2.8 | 109.6 | ||||
| 458 | P | 33.3 | Very low | 32.4 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 156.3 | -170.3 | -20.4 | 34.1 | 0 | 0 | 0 | 114.9 | ||
| 459 | P | 31.4 | Very low | 31.5 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 145.8 | 179.2 | 33 | -35.3 | 0 | 0 | 0 | 113.3 | ||
| 460 | S | 29.9 | Very low | 31.9 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 145.2 | 167.9 | 41.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 461 | P | 33.6 | Very low | 32.7 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70 | 157.2 | 173.2 | -19.1 | 33.3 | 0 | 0 | 0 | 113.4 | ||
| 462 | P | 31.9 | Very low | 34.2 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 151.9 | -171.8 | 33.3 | -36.4 | 0 | 0 | 0 | 114.3 | ||
| 463 | S | 34.5 | Very low | 36.3 | Very low | 126 Ų | 126 | 115.3 Ų | 115.3 | 88% | 0.881 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126.6 | 173.4 | -43 | 0 | 0 | 0 | 0 | 112.2 | ||
| 464 | S | 28.5 | Very low | 38.3 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 124.7 | 169.4 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 465 | R | 34 | Very low | 40.4 | Very low | 255 Ų | 255 | 114.3 Ų | 114.3 | 96% | 0.962 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 121.1 | 169.4 | -83.5 | -178.2 | 165 | -170.9 | -4.1 | 109.5 | ||
| 466 | G | 27 | Very low | 42.6 | Very low | 87 Ų | 87 | 111 Ų | 111 | 90% | 0.897 | 73% | 0.728 | S | S | * | * | trans | 144 | 114.6 | 165 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 467 | G | 26.3 | Very low | 44.7 | Very low | 76 Ų | 76 | 106 Ų | 106 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | trans | 143.6 | 125.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G469 | G467-G469 PolarHBondContact O-N 3.45Š| ||
| 468 | G | 33.2 | Very low | 47.2 | Very low | 94 Ų | 94 | 97.7 Ų | 97.7 | 97% | 0.969 | 67% | 0.668 | S | S | * | * | trans | -79 | 80.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 469 | G | 29.7 | Very low | 49.7 | Very low | 49 Ų | 49 | 92.1 Ų | 92.1 | 51% | 0.505 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -90.7 | 158.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G467 | G467-G469 PolarHBondContact O-N 3.45Š|
| 470 | V | 42.2 | Very low | 52.4 | Low | 72 Ų | 72 | 87.2 Ų | 87.2 | 44% | 0.436 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 127.8 | 167.2 | -178.9 | 0 | 0 | 0 | 0 | 108 | G472 K540 | V470-G472 PolarHBondContact O-N 2.9Å; V470-K540 HydrophobicContact CG2-CB 4.42Å |
| 471 | P | 48.3 | Very low | 54.9 | Low | 119 Ų | 119 | 82.4 Ų | 82.4 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 130 | 178.4 | -21 | 32.9 | 0 | 0 | 0 | 111.7 | ||
| 472 | G | 61.9 | Low | 56.6 | Low | 70 Ų | 70 | 83.5 Ų | 83.5 | 72% | 0.722 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.2 | 13.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | V470 | V470-G472 PolarHBondContact O-N 2.9Š|
| 473 | L | 71.5 | Confident | 58.2 | Low | 23 Ų | 23 | 82.8 Ų | 82.8 | 12% | 0.12 | 54% | 0.543 | C | S | . | . | trans | -116.7 | 124.6 | 169.8 | -66.9 | -176.9 | 0 | 0 | 0 | 111.1 | V479 I491 L539 C542 P544 | L473-V479 HydrophobicContact CD1-CG1 4.23Å; L473-V479 HydrophobicContact CD2-CG1 3.62Å; L473-I491 HydrophobicContact CB-CD1 4.11Å; L473-L539 HydrophobicContact CB-CD1 4.24Å; L473-C542 HydrophobicContact CD1-CB 3.75Å; L473-P544 HydrophobicContact CD2-CG 4.12Å | ||
| 474 | E | 80.4 | Confident | 58.9 | Low | 134 Ų | 134 | 84.8 Ų | 84.8 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | trans | -142.4 | -179.2 | -177.6 | 67.7 | 178.3 | 171.3 | 0 | 0 | 112.6 | G476 S477 I491 | E474-G476 PolarHBondContact O-N 2.92Å; E474-S477 PolarHBondContact N-OG 3.19Å; E474-S477 WeakPolarHBondContact O-CB 3.48Å; E474-S477 PolarHBondContact O-N 2.82Å; E474-S477 VanDerWaalsContact O-N 3.09Å; E474-S477 PolarHBondContact O-OG 2.86Å; E474-S477 VanDerWaalsContact O-OG 3.12Å; E474-I491 WeakPolarHBondContact O-CB 3.24Å; E474-I491 WeakPolarHBondContact O-CG2 3.35Å | ||
| 475 | V | 79 | Confident | 60.5 | Low | 85 Ų | 85 | 83.9 Ų | 83.9 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 117.6 | 177.2 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | I491 R492 V494 | V475-I491 CarbonylContact C-O 3.59Å; V475-I491 WeakPolarHBondContact CA-O 3.48Å; V475-I491 HydrophobicContact CG2-CG2 4.36Å; V475-R492 WeakPolarHBondContact CG1-O 3.32Å; V475-V494 HydrophobicContact CG2-CB 4.42Å; V475-V494 HydrophobicContact CG2-CG2 4.03Å |
| 476 | G | 73.3 | Confident | 62.7 | Low | 52 Ų | 52 | 75 Ų | 75 | 54% | 0.536 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.2 | -17.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | E474 L478 I491 | E474-G476 PolarHBondContact O-N 2.92Å; G476-L478 PolarHBondContact O-N 2.9Å; G476-I491 PolarHBondContact N-O 3.32Å |
| 477 | S | 78.9 | Confident | 65.3 | Low | 25 Ų | 25 | 72.4 Ų | 72.4 | 18% | 0.175 | 48% | 0.476 | C | S | . | . | trans | -66.4 | 131 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 112 | E474 I491 | E474-S477 PolarHBondContact N-OG 3.19Å; E474-S477 WeakPolarHBondContact O-CB 3.48Å; E474-S477 PolarHBondContact O-N 2.82Å; E474-S477 VanDerWaalsContact O-N 3.09Å; E474-S477 PolarHBondContact O-OG 2.86Å; E474-S477 VanDerWaalsContact O-OG 3.12Å; S477-I491 PolarHBondContact O-N 3.17Å | ||
| 478 | L | 83.3 | Confident | 68.2 | Low | 63 Ų | 63 | 70 Ų | 70 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.3 | 164.3 | -77.1 | 159.6 | 0 | 0 | 0 | 109.4 | G476 V490 D545 F548 | G476-L478 PolarHBondContact O-N 2.9Å; L478-V490 HydrophobicContact CD2-CG2 3.72Å; L478-V490 HydrophobicContact CG-CG2 4.43Å; L478-D545 HydrophobicContact CB-CB 4.02Å; L478-D545 PolarHBondContact O-N 3.11Å; L478-D545 VanDerWaalsContact O-N 3.11Å; L478-F548 HydrophobicContact CD1-CB 4.27Å; L478-F548 HydrophobicContact CD1-CD2 3.88Å; L478-F548 HydrophobicContact CD1-CE2 4.33Å; L478-F548 HydrophobicContact CD1-CG 3.98Å |
| 479 | V | 84.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 145.6 | -175.9 | -65.3 | 0 | 0 | 0 | 0 | 114.1 | L473 G489 I491 L507 C542 R543 | L473-V479 HydrophobicContact CD1-CG1 4.23Å; L473-V479 HydrophobicContact CD2-CG1 3.62Å; V479-G489 PolarHBondContact N-O 2.89Å; V479-G489 PolarHBondContact O-N 2.9Å; V479-G489 VanDerWaalsContact O-O 3.1Å; V479-I491 HydrophobicContact CG1-CD1 3.92Å; V479-I491 HydrophobicContact CG1-CG1 4.06Å; V479-I491 HydrophobicContact CG2-CD1 4.28Å; V479-I491 HydrophobicContact CG2-CG1 3.66Å; V479-L507 HydrophobicContact CG2-CD1 4.49Å; V479-L507 HydrophobicContact CG2-CD2 3.46Å; V479-L507 VanDerWaalsContact CG2-CD2 3.46Å; V479-C542 HydrophobicContact CB-CB 4.14Å; V479-C542 HydrophobicContact CG1-CB 4.2Å; V479-C542 HydrophobicContact CG2-CB 4.26Å; V479-R543 CarbonylContact C-O 3.44Å; V479-R543 WeakPolarHBondContact CA-O 3.36Å; V479-R543 WeakPolarHBondContact CB-O 3.18Å; V479-R543 WeakPolarHBondContact CG1-O 3.37Å |
| 480 | E | 88.1 | Confident | 73.6 | Confident | 23 Ų | 23 | 65 Ų | 65 | 11% | 0.107 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148.8 | 165.3 | 64.9 | 176.8 | -132.2 | 0 | 0 | 110.9 | L487 R543 S546 | E480-L487 CarbonylContact C-O 3.56Å; E480-L487 WeakPolarHBondContact CA-O 3.37Å; E480-R543 HydrophobicContact CG-CB 3.79Å; E480-R543 PolarHBondContact N-O 3.34Å; E480-R543 PolarHBondContact O-N 2.87Å; E480-S546 WeakPolarHBondContact OE2-CB 3.2Å; E480-S546 PolarHBondContact OE2-N 2.87Å; E480-S546 PolarHBondContact OE2-OG 2.86Å |
| 481 | V | 83.2 | Confident | 75.8 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.2 | 166 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | E483 P486 L487 L507 V537 | V481-E483 PolarHBondContact O-N 2.87Å; V481-P486 WeakPolarHBondContact O-CA 3.26Å; V481-L487 PolarHBondContact N-O 3.31Å; V481-L487 PolarHBondContact O-N 3.45Å; V481-L487 VanDerWaalsContact O-N 3.12Å; V481-L507 HydrophobicContact CG2-CD1 3.39Å; V481-V537 HydrophobicContact CG1-CG1 4.29Å; V481-V537 HydrophobicContact CG2-CG1 4.32Å; V481-V537 HydrophobicContact CG2-CG2 4.16Å |
| 482 | K | 69 | Low | 77.6 | Confident | 143 Ų | 143 | 62.1 Ų | 62.1 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | trans | -73.1 | 83.4 | 179.8 | -79.8 | -156.5 | 163.9 | -157.2 | 0 | 113.2 | ||||
| 483 | E | 65.9 | Low | 78.9 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -109.7 | -175.3 | 153.9 | -59.2 | -160.4 | 155.4 | 0 | 0 | 109.7 | V481 P485 P486 L487 | V481-E483 PolarHBondContact O-N 2.87Å; E483-P485 VanDerWaalsContact C-C 3.42Å; E483-P485 CarbonylContact C-O 3.46Å; E483-P485 CarbonylContact O-C 3.51Å; E483-P485 VanDerWaalsContact O-C 3.29Å; E483-P486 WeakPolarHBondContact O-CA 3.49Å; E483-L487 WeakPolarHBondContact OE2-CD1 3.35Å |
| 484 | N | 49.9 | Very low | 79.6 | Confident | 169 Ų | 169 | 62.4 Ų | 62.4 | 90% | 0.904 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -128.1 | 103.8 | 176 | -94.3 | -17.3 | 0 | 0 | 0 | 109.1 | ||
| 485 | P | 62.2 | Low | 79.8 | Confident | 104 Ų | 104 | 57 Ų | 57 | 68% | 0.675 | 32% | 0.316 | S | S | * | . | S | Bend | cis | -65.5 | 160.9 | -4.6 | 30.5 | -36.7 | 0 | 0 | 0 | 112.9 | E483 | E483-P485 VanDerWaalsContact C-C 3.42Å; E483-P485 CarbonylContact C-O 3.46Å; E483-P485 CarbonylContact O-C 3.51Å; E483-P485 VanDerWaalsContact O-C 3.29Å |
| 486 | P | 78.5 | Confident | 80.2 | Confident | 70 Ų | 70 | 58.6 Ų | 58.6 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 145.3 | 176.7 | 29.1 | -35.2 | 0 | 0 | 0 | 111.4 | V481 E483 | V481-P486 WeakPolarHBondContact O-CA 3.26Å; E483-P486 WeakPolarHBondContact O-CA 3.49Å |
| 487 | L | 82.6 | Confident | 80.6 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.3 | 178 | -64.2 | 178.7 | 0 | 0 | 0 | 110.1 | E480 V481 E483 L509 L535 | E480-L487 CarbonylContact C-O 3.56Å; E480-L487 WeakPolarHBondContact CA-O 3.37Å; V481-L487 PolarHBondContact N-O 3.31Å; V481-L487 PolarHBondContact O-N 3.45Å; V481-L487 VanDerWaalsContact O-N 3.12Å; E483-L487 WeakPolarHBondContact OE2-CD1 3.35Å; L487-L509 HydrophobicContact CB-CD2 4.13Å; L487-L509 HydrophobicContact CD1-CD1 4.15Å; L487-L535 HydrophobicContact CD1-CD2 4.09Å |
| 488 | C | 87.7 | Confident | 80.4 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 145.3 | 177.1 | -69 | 0 | 0 | 0 | 0 | 112.1 | L509 E510 D545 R547 | C488-L509 WeakPolarHBondContact O-CA 3.42Å; C488-E510 PolarHBondContact O-N 2.9Å; C488-D545 VanDerWaalsContact CB-OD2 3.31Å; C488-D545 WeakPolarHBondContact CB-OD2 3.26Å; C488-D545 PolarHBondContact SG-OD2 3.42Å; C488-R547 VanDerWaalsContact CB-NH2 3.32Å |
| 489 | G | 87.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176 | 178.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V479 E508 | V479-G489 PolarHBondContact N-O 2.89Å; V479-G489 PolarHBondContact O-N 2.9Å; V479-G489 VanDerWaalsContact O-O 3.1Å; G489-E508 CarbonylContact C-O 3.57Å; G489-E508 WeakPolarHBondContact CA-O 3.37Å |
| 490 | V | 87.4 | Confident | 79.4 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.2 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | L478 R492 L507 E508 | L478-V490 HydrophobicContact CD2-CG2 3.72Å; L478-V490 HydrophobicContact CG-CG2 4.43Å; V490-R492 PolarHBondContact O-N 3.22Å; V490-R492 VanDerWaalsContact O-N 3.09Å; V490-L507 CarbonylContact O-C 3.54Å; V490-L507 WeakPolarHBondContact O-CA 3.13Å; V490-E508 PolarHBondContact N-O 2.78Å; V490-E508 PolarHBondContact O-N 3.35Å |
| 491 | I | 89.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 110.6 | 168.9 | -58.3 | -175.1 | 0 | 0 | 0 | 109 | L473 E474 V475 G476 S477 V479 V494 A505 L507 L539 | L473-I491 HydrophobicContact CB-CD1 4.11Å; E474-I491 WeakPolarHBondContact O-CB 3.24Å; E474-I491 WeakPolarHBondContact O-CG2 3.35Å; V475-I491 CarbonylContact C-O 3.59Å; V475-I491 WeakPolarHBondContact CA-O 3.48Å; V475-I491 HydrophobicContact CG2-CG2 4.36Å; G476-I491 PolarHBondContact N-O 3.32Å; S477-I491 PolarHBondContact O-N 3.17Å; V479-I491 HydrophobicContact CG1-CD1 3.92Å; V479-I491 HydrophobicContact CG1-CG1 4.06Å; V479-I491 HydrophobicContact CG2-CD1 4.28Å; V479-I491 HydrophobicContact CG2-CG1 3.66Å; I491-V494 HydrophobicContact CG2-CG2 3.42Å; I491-V494 VanDerWaalsContact CG2-CG2 3.42Å; I491-A505 HydrophobicContact CG2-CB 4.47Å; I491-L507 HydrophobicContact CB-CD2 4.36Å; I491-L507 HydrophobicContact CG1-CD2 3.68Å; I491-L539 HydrophobicContact CD1-CD1 4.3Å |
| 492 | R | 86 | Confident | 78.5 | Confident | 130 Ų | 130 | 70.4 Ų | 70.4 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -18.6 | 174.4 | -68.7 | -58 | -158.8 | 175.3 | 4.6 | 113.7 | V475 V490 G506 E508 F527 | V475-R492 WeakPolarHBondContact CG1-O 3.32Å; V490-R492 PolarHBondContact O-N 3.22Å; V490-R492 VanDerWaalsContact O-N 3.09Å; R492-G506 PolarHBondContact N-O 3Å; R492-E508 HydrophobicContact CG-CB 3.63Å; R492-E508 IonicContact CZ-OE2 2.75Å; R492-E508 IonicContact NE-OE2 3.86Å; R492-E508 PolarHBondContact NE-OE2 3.45Å; R492-E508 IonicContact NH2-OE2 2.9Å; R492-E508 PolarHBondContact NH2-OE2 3.49Å; R492-F527 HydrophobicContact CB-CB 4.02Å; R492-F527 HydrophobicContact CB-CD1 4.17Å; R492-F527 HydrophobicContact CB-CD2 3.52Å; R492-F527 HydrophobicContact CB-CE2 3.91Å; R492-F527 HydrophobicContact CB-CG 3.66Å; R492-F527 HydrophobicContact CB-CZ 4.4Å; R492-F527 HydrophobicContact CG-CD2 3.89Å; R492-F527 HydrophobicContact CG-CE2 4.11Å |
| 493 | W | 88.6 | Confident | 79.1 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 19% | 0.193 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 144.1 | -179.8 | -176.4 | 82.9 | 0 | 0 | 0 | 111.2 | G495 P497 L504 A505 G506 Y526 F527 F536 | W493-G495 VanDerWaalsContact CH2-CA 3.46Å; W493-G495 WeakPolarHBondContact CH2-O 3.19Å; W493-P497 HydrophobicContact CH2-CG 3.93Å; W493-P497 HydrophobicContact CZ3-CG 4.21Å; W493-L504 HydrophobicContact CZ3-CB 4.34Å; W493-A505 CarbonylContact O-C 3.55Å; W493-A505 WeakPolarHBondContact O-CA 3.49Å; W493-G506 PolarHBondContact N-O 2.67Å; W493-G506 VanDerWaalsContact N-O 3.17Å; W493-G506 PolarHBondContact O-N 3.22Å; W493-Y526 HydrophobicContact CD2-CD1 4.07Å; W493-Y526 HydrophobicContact CD2-CG 4.28Å; W493-Y526 AromaticContact CE2-CD1 3.46Å; W493-Y526 VanDerWaalsContact CE2-CD1 3.46Å; W493-Y526 AromaticContact CH2-CD1 3.84Å; W493-Y526 HydrophobicContact CH2-CD1 3.84Å; W493-Y526 AromaticContact CH2-CE1 3.92Å; W493-Y526 HydrophobicContact CH2-CE1 3.92Å; W493-Y526 AromaticContact CZ2-CD1 3.34Å; W493-Y526 HydrophobicContact CZ2-CD1 3.34Å; W493-Y526 AromaticContact CZ2-CE1 3.64Å; W493-Y526 HydrophobicContact CZ2-CE1 3.64Å; W493-Y526 HydrophobicContact CZ2-CG 4.27Å; W493-Y526 HydrophobicContact CZ3-CD1 4.4Å; W493-Y526 AromaticContact NE1-CD1 3.83Å; W493-F527 HydrophobicContact CB-CD1 3.97Å; W493-F536 HydrophobicContact CE3-CD1 4.49Å; W493-F536 HydrophobicContact CE3-CE1 4.12Å; W493-F536 HydrophobicContact CZ3-CE1 4.46Å |
| 494 | V | 87.7 | Confident | 80.2 | Confident | 49 Ų | 49 | 62 Ų | 62 | 30% | 0.297 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132 | 168 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | V475 I491 L504 L539 | V475-V494 HydrophobicContact CG2-CB 4.42Å; V475-V494 HydrophobicContact CG2-CG2 4.03Å; I491-V494 HydrophobicContact CG2-CG2 3.42Å; I491-V494 VanDerWaalsContact CG2-CG2 3.42Å; V494-L504 WeakPolarHBondContact CA-O 3.3Å; V494-L539 HydrophobicContact CG1-CD1 4.41Å; V494-L539 HydrophobicContact CG1-CD2 4.1Å; V494-L539 HydrophobicContact CG2-CD1 4.43Å |
| 495 | G | 84.5 | Confident | 82 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -174.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W493 P503 L504 | W493-G495 VanDerWaalsContact CH2-CA 3.46Å; W493-G495 WeakPolarHBondContact CH2-O 3.19Å; G495-P503 CarbonylContact O-C 3.58Å; G495-P503 VanDerWaalsContact O-CA 3.31Å; G495-P503 WeakPolarHBondContact O-CA 3.48Å; G495-L504 PolarHBondContact N-O 2.83Å; G495-L504 VanDerWaalsContact N-O 3.07Å; G495-L504 PolarHBondContact O-N 3.27Å |
| 496 | Q | 87.6 | Confident | 83.4 | Confident | 119 Ų | 119 | 49 Ų | 49 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | trans | -114.1 | 107.2 | -178.5 | -173.1 | 170.5 | 1.3 | 0 | 0 | 109.9 | L500 | Q496-L500 WeakPolarHBondContact CG-O 3.35Å; Q496-L500 PolarHBondContact NE2-O 2.78Å | ||
| 497 | P | 80.9 | Confident | 84 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | trans | -62 | 147.9 | 176.9 | -25 | 36.1 | 0 | 0 | 0 | 112.1 | W493 G499 L500 L504 F521 | W493-P497 HydrophobicContact CH2-CG 3.93Å; W493-P497 HydrophobicContact CZ3-CG 4.21Å; P497-G499 PolarHBondContact O-N 2.86Å; P497-L500 HydrophobicContact CB-CD1 4.16Å; P497-L500 HydrophobicContact CG-CD1 4.07Å; P497-L500 PolarHBondContact O-N 3.11Å; P497-L500 VanDerWaalsContact O-N 3.16Å; P497-L504 HydrophobicContact CG-CD1 4.05Å; P497-L504 HydrophobicContact CG-CG 4.34Å; P497-F521 HydrophobicContact CB-CD1 4.27Å; P497-F521 HydrophobicContact CB-CE1 4.17Å; P497-F521 HydrophobicContact CG-CD1 4.18Å; P497-F521 HydrophobicContact CG-CE1 4.13Å | ||
| 498 | P | 73.7 | Confident | 84.5 | Confident | 106 Ų | 106 | 46 Ų | 46 | 69% | 0.688 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 123.8 | 176.3 | -25.8 | 35 | 0 | 0 | 0 | 112 | Y526 | P498-Y526 WeakPolarHBondContact CD-OH 3.38Š|
| 499 | G | 70.1 | Confident | 84.5 | Confident | 84 Ų | 84 | 45.2 Ų | 45.2 | 87% | 0.866 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | -2.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P497 | P497-G499 PolarHBondContact O-N 2.86Š|
| 500 | L | 77.1 | Confident | 84.3 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | trans | -101.5 | 143.1 | 173.1 | -70 | -179.4 | 0 | 0 | 0 | 112.6 | Q496 P497 L504 F521 | Q496-L500 WeakPolarHBondContact CG-O 3.35Å; Q496-L500 PolarHBondContact NE2-O 2.78Å; P497-L500 HydrophobicContact CB-CD1 4.16Å; P497-L500 HydrophobicContact CG-CD1 4.07Å; P497-L500 PolarHBondContact O-N 3.11Å; P497-L500 VanDerWaalsContact O-N 3.16Å; L500-L504 HydrophobicContact CD1-CD1 3.78Å; L500-L504 HydrophobicContact CD1-CG 4.27Å; L500-F521 HydrophobicContact CD1-CE1 3.84Å; L500-F521 HydrophobicContact CD1-CZ 3.95Å | ||
| 501 | P | 74.3 | Confident | 84.1 | Confident | 113 Ų | 113 | 55 Ų | 55 | 73% | 0.734 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -87.8 | -5.8 | -176.9 | 34.8 | -36.7 | 0 | 0 | 0 | 115 | ||
| 502 | E | 79 | Confident | 83.9 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 29% | 0.29 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -132.6 | 149.2 | -178.4 | -60 | -165.8 | 105.4 | 0 | 0 | 110.7 | K538 K540 | E502-K538 WeakPolarHBondContact OE2-CD 3.49Å; E502-K538 WeakPolarHBondContact OE2-CE 3.4Å; E502-K538 IonicContact OE2-NZ 2.77Å; E502-K538 PolarHBondContact OE2-NZ 2.94Å; E502-K540 IonicContact OE1-NZ 3.45Å; E502-K540 PolarHBondContact OE1-NZ 2.83Å; E502-K540 IonicContact OE2-NZ 3.59Å; E502-K540 PolarHBondContact OE2-NZ 3.04Å; E502-K540 VanDerWaalsContact OE2-NZ 3.11Å |
| 503 | P | 80.9 | Confident | 83.6 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | trans | -71 | 141.4 | 174.8 | 29.7 | -34.8 | 0 | 0 | 0 | 112.2 | G495 L539 | G495-P503 CarbonylContact O-C 3.58Å; G495-P503 VanDerWaalsContact O-CA 3.31Å; G495-P503 WeakPolarHBondContact O-CA 3.48Å; P503-L539 PolarHBondContact O-N 2.77Å | ||
| 504 | L | 88.3 | Confident | 82.9 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 153.2 | 173.4 | -55.5 | -170.6 | 0 | 0 | 0 | 110.9 | W493 V494 G495 P497 L500 F521 F536 V537 K538 | W493-L504 HydrophobicContact CZ3-CB 4.34Å; V494-L504 WeakPolarHBondContact CA-O 3.3Å; G495-L504 PolarHBondContact N-O 2.83Å; G495-L504 VanDerWaalsContact N-O 3.07Å; G495-L504 PolarHBondContact O-N 3.27Å; P497-L504 HydrophobicContact CG-CD1 4.05Å; P497-L504 HydrophobicContact CG-CG 4.34Å; L500-L504 HydrophobicContact CD1-CD1 3.78Å; L500-L504 HydrophobicContact CD1-CG 4.27Å; L504-F521 HydrophobicContact CD1-CE1 4.21Å; L504-F521 HydrophobicContact CD1-CE2 4.21Å; L504-F521 HydrophobicContact CD1-CZ 3.88Å; L504-F536 HydrophobicContact CD1-CB 4.33Å; L504-V537 CarbonylContact C-O 3.53Å; L504-V537 WeakPolarHBondContact CA-O 3.42Å; L504-V537 WeakPolarHBondContact CB-O 3.31Å; L504-K538 HydrophobicContact CD2-CB 4.4Å; L504-K538 HydrophobicContact CD2-CG 3.85Å |
| 505 | A | 88.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.1 | 161 | 0 | 0 | 0 | 0 | 0 | 108.8 | I491 W493 L507 F536 V537 L539 | I491-A505 HydrophobicContact CG2-CB 4.47Å; W493-A505 CarbonylContact O-C 3.55Å; W493-A505 WeakPolarHBondContact O-CA 3.49Å; A505-L507 HydrophobicContact CB-CD2 4.29Å; A505-F536 WeakPolarHBondContact O-CA 3.29Å; A505-V537 HydrophobicContact CB-CG2 4.47Å; A505-V537 PolarHBondContact N-O 3.44Å; A505-V537 PolarHBondContact O-N 2.73Å; A505-L539 HydrophobicContact CB-CD1 3.98Å |
| 506 | G | 90.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | R492 W493 | R492-G506 PolarHBondContact N-O 3Å; W493-G506 PolarHBondContact N-O 2.67Å; W493-G506 VanDerWaalsContact N-O 3.17Å; W493-G506 PolarHBondContact O-N 3.22Å |
| 507 | L | 91.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.7 | -175.6 | -54.4 | 178.9 | 0 | 0 | 0 | 110.2 | V479 V481 V490 I491 A505 L509 F527 A534 L535 V537 | V479-L507 HydrophobicContact CG2-CD1 4.49Å; V479-L507 HydrophobicContact CG2-CD2 3.46Å; V479-L507 VanDerWaalsContact CG2-CD2 3.46Å; V481-L507 HydrophobicContact CG2-CD1 3.39Å; V490-L507 CarbonylContact O-C 3.54Å; V490-L507 WeakPolarHBondContact O-CA 3.13Å; I491-L507 HydrophobicContact CB-CD2 4.36Å; I491-L507 HydrophobicContact CG1-CD2 3.68Å; A505-L507 HydrophobicContact CB-CD2 4.29Å; L507-L509 HydrophobicContact CB-CD2 4.33Å; L507-F527 WeakPolarHBondContact O-CZ 3.18Å; L507-A534 VanDerWaalsContact O-CA 3.27Å; L507-A534 WeakPolarHBondContact O-CA 3.32Å; L507-L535 HydrophobicContact CB-CB 4.41Å; L507-L535 HydrophobicContact CD1-CD2 4.46Å; L507-L535 PolarHBondContact N-O 3.11Å; L507-L535 PolarHBondContact O-N 2.85Å; L507-V537 HydrophobicContact CD1-CG2 3.83Å; L507-V537 HydrophobicContact CG-CG2 4.34Å |
| 508 | E | 92.1 | Very high | 82.5 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 108.9 | 158.7 | 179.8 | 170.3 | -146.8 | 0 | 0 | 108.2 | G489 V490 R492 F527 C529 K533 | G489-E508 CarbonylContact C-O 3.57Å; G489-E508 WeakPolarHBondContact CA-O 3.37Å; V490-E508 PolarHBondContact N-O 2.78Å; V490-E508 PolarHBondContact O-N 3.35Å; R492-E508 HydrophobicContact CG-CB 3.63Å; R492-E508 IonicContact CZ-OE2 2.75Å; R492-E508 IonicContact NE-OE2 3.86Å; R492-E508 PolarHBondContact NE-OE2 3.45Å; R492-E508 IonicContact NH2-OE2 2.9Å; R492-E508 PolarHBondContact NH2-OE2 3.49Å; E508-F527 HydrophobicContact CB-CE2 4.23Å; E508-C529 HydrophobicContact CB-CB 4.27Å; E508-C529 VanDerWaalsContact CD-CB 3.46Å; E508-C529 HydrophobicContact CG-CB 3.71Å; E508-C529 WeakPolarHBondContact OE1-CA 3.46Å; E508-C529 WeakPolarHBondContact OE1-CB 3.44Å; E508-K533 WeakPolarHBondContact CA-O 3.48Å |
| 509 | L | 88.7 | Confident | 83 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 153.8 | 178.3 | -59.1 | -177.4 | 0 | 0 | 0 | 111.5 | L487 C488 L507 E511 C513 K533 L535 | L487-L509 HydrophobicContact CB-CD2 4.13Å; L487-L509 HydrophobicContact CD1-CD1 4.15Å; C488-L509 WeakPolarHBondContact O-CA 3.42Å; L507-L509 HydrophobicContact CB-CD2 4.33Å; L509-E511 WeakPolarHBondContact CB-O 3.3Å; L509-C513 HydrophobicContact CD1-CB 3.82Å; L509-K533 PolarHBondContact N-O 2.88Å; L509-K533 WeakPolarHBondContact O-CD 3.42Å; L509-L535 HydrophobicContact CD1-CB 4.09Å; L509-L535 HydrophobicContact CD1-CD2 4.42Å; L509-L535 HydrophobicContact CD2-CB 4.28Å; L509-L535 HydrophobicContact CD2-CD2 4.34Å; L509-L535 HydrophobicContact CG-CB 4.17Å |
| 510 | E | 84.1 | Confident | 83.9 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -72.4 | -40.8 | 174.9 | -68.7 | 178.8 | -178.5 | 0 | 0 | 112 | C488 K533 R547 | C488-E510 PolarHBondContact O-N 2.9Å; E510-K533 PolarHBondContact O-NZ 2.84Å; E510-R547 IonicContact OE1-CZ 3.41Å; E510-R547 IonicContact OE1-NH1 3.19Å; E510-R547 IonicContact OE1-NH2 3.53Å; E510-R547 PolarHBondContact OE1-NH2 3.19Å; E510-R547 IonicContact OE2-CZ 2.63Å; E510-R547 IonicContact OE2-NH1 2.77Å; E510-R547 PolarHBondContact OE2-NH1 3.06Å; E510-R547 IonicContact OE2-NH2 2.7Å; E510-R547 PolarHBondContact OE2-NH2 3.29Å; E510-R547 VanDerWaalsContact OE2-NH2 3.11Å |
| 511 | E | 82.2 | Confident | 84.2 | Confident | 159 Ų | 159 | 52 Ų | 52 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -103 | 162.1 | 177.8 | -61.8 | -166.8 | 165.4 | 0 | 0 | 112.4 | L509 | L509-E511 WeakPolarHBondContact CB-O 3.3Š|
| 512 | E | 85.8 | Confident | 84.6 | Confident | 110 Ų | 110 | 53.6 Ų | 53.6 | 51% | 0.514 | 30% | 0.297 | S | S | . | . | trans | -80.4 | 123.7 | 173.4 | -73.6 | -171.8 | -146 | 0 | 0 | 111.1 | K532 K533 | E512-K532 HydrophobicContact CB-CB 4.17Å; E512-K532 HydrophobicContact CG-CB 4.27Å; E512-K532 IonicContact OE2-NZ 2.77Å; E512-K532 PolarHBondContact OE2-NZ 3.09Å; E512-K533 HydrophobicContact CG-CG 4.06Å | ||
| 513 | C | 79.1 | Confident | 84.7 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | trans | -113.6 | 141.4 | -179.2 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | L509 G515 C516 K532 | L509-C513 HydrophobicContact CD1-CB 3.82Å; C513-G515 PolarHBondContact O-N 2.8Å; C513-C516 HydrophobicContact CB-CB 4.41Å; C513-C516 WeakPolarHBondContact O-CB 3.49Å; C513-C516 PolarHBondContact O-N 2.74Å; C513-K532 PolarHBondContact N-O 3.37Å | ||
| 514 | V | 73 | Confident | 84.8 | Confident | 148 Ų | 148 | 55 Ų | 55 | 90% | 0.897 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 112.1 | -174.9 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 515 | G | 73.6 | Confident | 84.8 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 77% | 0.773 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.8 | -6.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C513 | C513-G515 PolarHBondContact O-N 2.8Š|
| 516 | C | 84.7 | Confident | 84.6 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 10% | 0.095 | 35% | 0.353 | C | S | . | . | trans | -71.6 | 158.1 | 169.8 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | C513 K532 A534 | C513-C516 HydrophobicContact CB-CB 4.41Å; C513-C516 WeakPolarHBondContact O-CB 3.49Å; C513-C516 PolarHBondContact O-N 2.74Å; C516-K532 VanDerWaalsContact CB-O 3.25Å; C516-K532 WeakPolarHBondContact CB-O 3.24Å; C516-A534 CarbonylContact C-O 3.6Å; C516-A534 WeakPolarHBondContact CA-O 3.49Å; C516-A534 WeakPolarHBondContact CB-O 3.14Å | ||
| 517 | T | 88.1 | Confident | 84.6 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 29% | 0.288 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -106.1 | -159.9 | -175.9 | 73.4 | 0 | 0 | 0 | 0 | 111.8 | T520 K532 K533 A534 | T517-T520 WeakPolarHBondContact CB-O 3.31Å; T517-T520 WeakPolarHBondContact CG2-O 3.38Å; T517-T520 PolarHBondContact OG1-N 2.63Å; T517-T520 PolarHBondContact OG1-O 3.5Å; T517-K532 CarbonylContact O-C 3.48Å; T517-K532 WeakPolarHBondContact O-CA 3.34Å; T517-K532 PolarHBondContact O-N 2.83Å; T517-K533 PolarHBondContact O-N 2.82Å; T517-K533 VanDerWaalsContact O-N 3.13Å; T517-A534 PolarHBondContact N-O 2.73Å; T517-A534 PolarHBondContact O-N 3.34Å; T517-A534 WeakPolarHBondContact OG1-CB 3.34Å |
| 518 | D | 87.2 | Confident | 84.4 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -114.9 | 20.6 | 180 | 71.4 | -30.5 | 0 | 0 | 0 | 112.8 | T520 R525 C529 | D518-T520 WeakPolarHBondContact OD1-CB 3.48Å; D518-T520 VanDerWaalsContact OD1-CG2 3.27Å; D518-T520 WeakPolarHBondContact OD1-CG2 3.28Å; D518-T520 PolarHBondContact OD1-N 2.85Å; D518-T520 PolarHBondContact OD1-OG1 3.41Å; D518-R525 PolarHBondContact O-NH1 2.98Å; D518-R525 IonicContact OD1-NH2 3.03Å; D518-R525 IonicContact OD2-CZ 3.12Å; D518-R525 IonicContact OD2-NH1 2.67Å; D518-R525 IonicContact OD2-NH2 2.91Å; D518-R525 PolarHBondContact OD2-NH2 3.2Å; D518-C529 PolarHBondContact O-N 3.3Å |
| 519 | G | 84.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | S | Bend | trans | 103.5 | 7.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y526 F527 | G519-Y526 PolarHBondContact O-N 3.47Å; G519-F527 CarbonylContact C-O 3.54Å; G519-F527 WeakPolarHBondContact CA-O 3.38Å; G519-F527 PolarHBondContact O-N 2.83Å |
| 520 | T | 87.4 | Confident | 83.9 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.2 | 176.3 | 54 | 0 | 0 | 0 | 0 | 112.6 | T517 D518 T524 R525 F536 | T517-T520 WeakPolarHBondContact CB-O 3.31Å; T517-T520 WeakPolarHBondContact CG2-O 3.38Å; T517-T520 PolarHBondContact OG1-N 2.63Å; T517-T520 PolarHBondContact OG1-O 3.5Å; D518-T520 WeakPolarHBondContact OD1-CB 3.48Å; D518-T520 VanDerWaalsContact OD1-CG2 3.27Å; D518-T520 WeakPolarHBondContact OD1-CG2 3.28Å; D518-T520 PolarHBondContact OD1-N 2.85Å; D518-T520 PolarHBondContact OD1-OG1 3.41Å; T520-T524 CarbonylContact C-O 3.6Å; T520-T524 VanDerWaalsContact CA-O 3.29Å; T520-T524 WeakPolarHBondContact CA-O 3.36Å; T520-R525 HydrophobicContact CG2-CB 4.01Å; T520-R525 HydrophobicContact CG2-CG 4.32Å; T520-F536 WeakPolarHBondContact O-CE2 3.28Å |
| 521 | F | 85 | Confident | 83.9 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 19% | 0.193 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 127.5 | 173.8 | -179.2 | -95.5 | 0 | 0 | 0 | 109.3 | P497 L500 L504 G523 T524 Y526 F536 | P497-F521 HydrophobicContact CB-CD1 4.27Å; P497-F521 HydrophobicContact CB-CE1 4.17Å; P497-F521 HydrophobicContact CG-CD1 4.18Å; P497-F521 HydrophobicContact CG-CE1 4.13Å; L500-F521 HydrophobicContact CD1-CE1 3.84Å; L500-F521 HydrophobicContact CD1-CZ 3.95Å; L504-F521 HydrophobicContact CD1-CE1 4.21Å; L504-F521 HydrophobicContact CD1-CE2 4.21Å; L504-F521 HydrophobicContact CD1-CZ 3.88Å; F521-G523 PolarHBondContact O-N 3.18Å; F521-T524 PolarHBondContact N-O 3.08Å; F521-T524 PolarHBondContact O-N 2.78Å; F521-Y526 HydrophobicContact CB-CD2 3.93Å; F521-Y526 HydrophobicContact CB-CE2 3.84Å; F521-Y526 HydrophobicContact CD1-CE2 4.39Å; F521-F536 HydrophobicContact CB-CD1 3.96Å; F521-F536 HydrophobicContact CB-CD2 3.9Å; F521-F536 HydrophobicContact CB-CE1 3.85Å; F521-F536 HydrophobicContact CB-CE2 3.8Å; F521-F536 HydrophobicContact CB-CG 3.98Å; F521-F536 HydrophobicContact CB-CZ 3.76Å; F521-F536 HydrophobicContact CD2-CB 3.69Å; F521-F536 HydrophobicContact CD2-CD1 4.24Å; F521-F536 HydrophobicContact CD2-CD2 4.04Å; F521-F536 AromaticContact CD2-CG 3.74Å; F521-F536 HydrophobicContact CD2-CG 3.74Å; F521-F536 HydrophobicContact CE2-CB 4.05Å; F521-F536 HydrophobicContact CG-CB 4.45Å; F521-F536 HydrophobicContact CG-CD1 4.17Å; F521-F536 HydrophobicContact CG-CD2 4.37Å; F521-F536 HydrophobicContact CG-CG 4.09Å |
| 522 | Q | 82.8 | Confident | 84 | Confident | 145 Ų | 145 | 66.1 Ų | 66.1 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 41.8 | -176.2 | -62.7 | -177.5 | -4.8 | 0 | 0 | 113.6 | T524 | Q522-T524 PolarHBondContact O-N 3Š|
| 523 | G | 79.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 84% | 0.835 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -5.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F521 | F521-G523 PolarHBondContact O-N 3.18Š|
| 524 | T | 82.7 | Confident | 84.7 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.4 | 174.7 | -57.6 | 0 | 0 | 0 | 0 | 110 | T520 F521 Q522 Y526 | T520-T524 CarbonylContact C-O 3.6Å; T520-T524 VanDerWaalsContact CA-O 3.29Å; T520-T524 WeakPolarHBondContact CA-O 3.36Å; F521-T524 PolarHBondContact N-O 3.08Å; F521-T524 PolarHBondContact O-N 2.78Å; Q522-T524 PolarHBondContact O-N 3Å; T524-Y526 HydrophobicContact CG2-CD2 4.42Å; T524-Y526 HydrophobicContact CG2-CE1 4.2Å; T524-Y526 HydrophobicContact CG2-CE2 3.79Å; T524-Y526 WeakPolarHBondContact O-CD2 3.44Å |
| 525 | R | 88.9 | Confident | 85.6 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 46% | 0.457 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129.6 | 173.7 | -174.9 | 175 | -70.9 | -74 | -1.5 | 110.4 | D518 T520 F527 S528 | D518-R525 PolarHBondContact O-NH1 2.98Å; D518-R525 IonicContact OD1-NH2 3.03Å; D518-R525 IonicContact OD2-CZ 3.12Å; D518-R525 IonicContact OD2-NH1 2.67Å; D518-R525 IonicContact OD2-NH2 2.91Å; D518-R525 PolarHBondContact OD2-NH2 3.2Å; T520-R525 HydrophobicContact CG2-CB 4.01Å; T520-R525 HydrophobicContact CG2-CG 4.32Å; R525-F527 WeakPolarHBondContact CD-O 3.27Å; R525-F527 WeakPolarHBondContact CG-O 3.48Å; R525-F527 PolarHBondContact NH1-O 3.48Å; R525-S528 PolarHBondContact NH1-OG 3.02Å |
| 526 | Y | 85.4 | Confident | 86.3 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -113.9 | -30.4 | 177.6 | -65.4 | -84.5 | 0 | 0 | 0 | 112.5 | W493 P498 G519 F521 T524 F536 | W493-Y526 HydrophobicContact CD2-CD1 4.07Å; W493-Y526 HydrophobicContact CD2-CG 4.28Å; W493-Y526 AromaticContact CE2-CD1 3.46Å; W493-Y526 VanDerWaalsContact CE2-CD1 3.46Å; W493-Y526 AromaticContact CH2-CD1 3.84Å; W493-Y526 HydrophobicContact CH2-CD1 3.84Å; W493-Y526 AromaticContact CH2-CE1 3.92Å; W493-Y526 HydrophobicContact CH2-CE1 3.92Å; W493-Y526 AromaticContact CZ2-CD1 3.34Å; W493-Y526 HydrophobicContact CZ2-CD1 3.34Å; W493-Y526 AromaticContact CZ2-CE1 3.64Å; W493-Y526 HydrophobicContact CZ2-CE1 3.64Å; W493-Y526 HydrophobicContact CZ2-CG 4.27Å; W493-Y526 HydrophobicContact CZ3-CD1 4.4Å; W493-Y526 AromaticContact NE1-CD1 3.83Å; P498-Y526 WeakPolarHBondContact CD-OH 3.38Å; G519-Y526 PolarHBondContact O-N 3.47Å; F521-Y526 HydrophobicContact CB-CD2 3.93Å; F521-Y526 HydrophobicContact CB-CE2 3.84Å; F521-Y526 HydrophobicContact CD1-CE2 4.39Å; T524-Y526 HydrophobicContact CG2-CD2 4.42Å; T524-Y526 HydrophobicContact CG2-CE1 4.2Å; T524-Y526 HydrophobicContact CG2-CE2 3.79Å; T524-Y526 WeakPolarHBondContact O-CD2 3.44Å; Y526-F536 AromaticContact CD2-CE1 3.93Å; Y526-F536 HydrophobicContact CD2-CE1 3.93Å; Y526-F536 HydrophobicContact CD2-CZ 4.02Å; Y526-F536 HydrophobicContact CG-CE1 4.16Å; Y526-F536 HydrophobicContact CG-CZ 4.4Å |
| 527 | F | 89.4 | Confident | 86.4 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | trans | -147.9 | -172.2 | 168.7 | 62.4 | -80.7 | 0 | 0 | 0 | 110.1 | R492 W493 L507 E508 G519 R525 C529 A534 F536 | R492-F527 HydrophobicContact CB-CB 4.02Å; R492-F527 HydrophobicContact CB-CD1 4.17Å; R492-F527 HydrophobicContact CB-CD2 3.52Å; R492-F527 HydrophobicContact CB-CE2 3.91Å; R492-F527 HydrophobicContact CB-CG 3.66Å; R492-F527 HydrophobicContact CB-CZ 4.4Å; R492-F527 HydrophobicContact CG-CD2 3.89Å; R492-F527 HydrophobicContact CG-CE2 4.11Å; W493-F527 HydrophobicContact CB-CD1 3.97Å; L507-F527 WeakPolarHBondContact O-CZ 3.18Å; E508-F527 HydrophobicContact CB-CE2 4.23Å; G519-F527 CarbonylContact C-O 3.54Å; G519-F527 WeakPolarHBondContact CA-O 3.38Å; G519-F527 PolarHBondContact O-N 2.83Å; R525-F527 WeakPolarHBondContact CD-O 3.27Å; R525-F527 WeakPolarHBondContact CG-O 3.48Å; R525-F527 PolarHBondContact NH1-O 3.48Å; F527-C529 HydrophobicContact CD2-CB 4.36Å; F527-C529 HydrophobicContact CE2-CB 4.12Å; F527-A534 HydrophobicContact CE1-CB 4.3Å; F527-A534 HydrophobicContact CE2-CB 3.83Å; F527-A534 HydrophobicContact CZ-CB 3.43Å; F527-A534 VanDerWaalsContact CZ-CB 3.43Å; F527-F536 AromaticContact CD1-CZ 3.97Å; F527-F536 HydrophobicContact CD1-CZ 3.97Å; F527-F536 HydrophobicContact CE1-CE1 4.05Å; F527-F536 AromaticContact CE1-CE2 3.8Å; F527-F536 HydrophobicContact CE1-CE2 3.8Å; F527-F536 AromaticContact CE1-CZ 3.44Å; F527-F536 HydrophobicContact CE1-CZ 3.44Å; F527-F536 VanDerWaalsContact CE1-CZ 3.44Å; F527-F536 HydrophobicContact CZ-CE2 4.39Å; F527-F536 HydrophobicContact CZ-CZ 4.43Å | ||
| 528 | S | 87.1 | Confident | 86.2 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | trans | -134.3 | 134.9 | 174.2 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | R525 | R525-S528 PolarHBondContact NH1-OG 3.02Š| ||
| 529 | C | 86.6 | Confident | 85.7 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | trans | -147.6 | -178.1 | 176.2 | 60.1 | 0 | 0 | 0 | 0 | 109.3 | E508 D518 F527 A534 | E508-C529 HydrophobicContact CB-CB 4.27Å; E508-C529 VanDerWaalsContact CD-CB 3.46Å; E508-C529 HydrophobicContact CG-CB 3.71Å; E508-C529 WeakPolarHBondContact OE1-CA 3.46Å; E508-C529 WeakPolarHBondContact OE1-CB 3.44Å; D518-C529 PolarHBondContact O-N 3.3Å; F527-C529 HydrophobicContact CD2-CB 4.36Å; F527-C529 HydrophobicContact CE2-CB 4.12Å; C529-A534 VanDerWaalsContact SG-CB 3.57Å | ||
| 530 | A | 84.5 | Confident | 85.3 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -62.5 | 150.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K533 | A530-K533 HydrophobicContact CB-CD 4.08Å; A530-K533 HydrophobicContact CB-CG 4.17Å; A530-K533 PolarHBondContact O-N 3.29Å |
| 531 | P | 84.2 | Confident | 84.9 | Confident | 91 Ų | 91 | 62.2 Ų | 62.2 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 142.8 | 174.8 | -24.6 | 34.6 | 0 | 0 | 0 | 112.3 | K533 | P531-K533 PolarHBondContact O-N 3.27Š|
| 532 | K | 84.9 | Confident | 84.6 | Confident | 106 Ų | 106 | 60.5 Ų | 60.5 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 17.7 | -176.4 | -40.5 | -165.2 | -140.8 | 96.1 | 0 | 115.8 | E512 C513 C516 T517 | E512-K532 HydrophobicContact CB-CB 4.17Å; E512-K532 HydrophobicContact CG-CB 4.27Å; E512-K532 IonicContact OE2-NZ 2.77Å; E512-K532 PolarHBondContact OE2-NZ 3.09Å; C513-K532 PolarHBondContact N-O 3.37Å; C516-K532 VanDerWaalsContact CB-O 3.25Å; C516-K532 WeakPolarHBondContact CB-O 3.24Å; T517-K532 CarbonylContact O-C 3.48Å; T517-K532 WeakPolarHBondContact O-CA 3.34Å; T517-K532 PolarHBondContact O-N 2.83Å |
| 533 | K | 89.8 | Confident | 84.3 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 21% | 0.213 | 32% | 0.323 | C | S | . | . | trans | -110.2 | -8.3 | 175.1 | -59.8 | -155 | 176.5 | -166.2 | 0 | 115 | E508 L509 E510 E512 T517 A530 P531 | E508-K533 WeakPolarHBondContact CA-O 3.48Å; L509-K533 PolarHBondContact N-O 2.88Å; L509-K533 WeakPolarHBondContact O-CD 3.42Å; E510-K533 PolarHBondContact O-NZ 2.84Å; E512-K533 HydrophobicContact CG-CG 4.06Å; T517-K533 PolarHBondContact O-N 2.82Å; T517-K533 VanDerWaalsContact O-N 3.13Å; A530-K533 HydrophobicContact CB-CD 4.08Å; A530-K533 HydrophobicContact CB-CG 4.17Å; A530-K533 PolarHBondContact O-N 3.29Å; P531-K533 PolarHBondContact O-N 3.27Å | ||
| 534 | A | 89.5 | Confident | 84.2 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L507 C516 T517 F527 C529 F536 | L507-A534 VanDerWaalsContact O-CA 3.27Å; L507-A534 WeakPolarHBondContact O-CA 3.32Å; C516-A534 CarbonylContact C-O 3.6Å; C516-A534 WeakPolarHBondContact CA-O 3.49Å; C516-A534 WeakPolarHBondContact CB-O 3.14Å; T517-A534 PolarHBondContact N-O 2.73Å; T517-A534 PolarHBondContact O-N 3.34Å; T517-A534 WeakPolarHBondContact OG1-CB 3.34Å; F527-A534 HydrophobicContact CE1-CB 4.3Å; F527-A534 HydrophobicContact CE2-CB 3.83Å; F527-A534 HydrophobicContact CZ-CB 3.43Å; F527-A534 VanDerWaalsContact CZ-CB 3.43Å; C529-A534 VanDerWaalsContact SG-CB 3.57Å; A534-F536 HydrophobicContact CB-CE2 4.3Å |
| 535 | L | 90.2 | Very high | 83.9 | Confident | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.3 | 171.5 | -175.9 | 65.9 | 0 | 0 | 0 | 110.2 | L487 L507 L509 V537 | L487-L535 HydrophobicContact CD1-CD2 4.09Å; L507-L535 HydrophobicContact CB-CB 4.41Å; L507-L535 HydrophobicContact CD1-CD2 4.46Å; L507-L535 PolarHBondContact N-O 3.11Å; L507-L535 PolarHBondContact O-N 2.85Å; L509-L535 HydrophobicContact CD1-CB 4.09Å; L509-L535 HydrophobicContact CD1-CD2 4.42Å; L509-L535 HydrophobicContact CD2-CB 4.28Å; L509-L535 HydrophobicContact CD2-CD2 4.34Å; L509-L535 HydrophobicContact CG-CB 4.17Å; L535-V537 HydrophobicContact CD2-CG1 3.86Å; L535-V537 HydrophobicContact CG-CG1 3.88Å |
| 536 | F | 89.2 | Confident | 83.1 | Confident | 29 Ų | 29 | 55 Ų | 55 | 13% | 0.127 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.7 | 176.9 | -73.9 | -100.7 | 0 | 0 | 0 | 110 | W493 L504 A505 T520 F521 Y526 F527 A534 | W493-F536 HydrophobicContact CE3-CD1 4.49Å; W493-F536 HydrophobicContact CE3-CE1 4.12Å; W493-F536 HydrophobicContact CZ3-CE1 4.46Å; L504-F536 HydrophobicContact CD1-CB 4.33Å; A505-F536 WeakPolarHBondContact O-CA 3.29Å; T520-F536 WeakPolarHBondContact O-CE2 3.28Å; F521-F536 HydrophobicContact CB-CD1 3.96Å; F521-F536 HydrophobicContact CB-CD2 3.9Å; F521-F536 HydrophobicContact CB-CE1 3.85Å; F521-F536 HydrophobicContact CB-CE2 3.8Å; F521-F536 HydrophobicContact CB-CG 3.98Å; F521-F536 HydrophobicContact CB-CZ 3.76Å; F521-F536 HydrophobicContact CD2-CB 3.69Å; F521-F536 HydrophobicContact CD2-CD1 4.24Å; F521-F536 HydrophobicContact CD2-CD2 4.04Å; F521-F536 AromaticContact CD2-CG 3.74Å; F521-F536 HydrophobicContact CD2-CG 3.74Å; F521-F536 HydrophobicContact CE2-CB 4.05Å; F521-F536 HydrophobicContact CG-CB 4.45Å; F521-F536 HydrophobicContact CG-CD1 4.17Å; F521-F536 HydrophobicContact CG-CD2 4.37Å; F521-F536 HydrophobicContact CG-CG 4.09Å; Y526-F536 AromaticContact CD2-CE1 3.93Å; Y526-F536 HydrophobicContact CD2-CE1 3.93Å; Y526-F536 HydrophobicContact CD2-CZ 4.02Å; Y526-F536 HydrophobicContact CG-CE1 4.16Å; Y526-F536 HydrophobicContact CG-CZ 4.4Å; F527-F536 AromaticContact CD1-CZ 3.97Å; F527-F536 HydrophobicContact CD1-CZ 3.97Å; F527-F536 HydrophobicContact CE1-CE1 4.05Å; F527-F536 AromaticContact CE1-CE2 3.8Å; F527-F536 HydrophobicContact CE1-CE2 3.8Å; F527-F536 AromaticContact CE1-CZ 3.44Å; F527-F536 HydrophobicContact CE1-CZ 3.44Å; F527-F536 VanDerWaalsContact CE1-CZ 3.44Å; F527-F536 HydrophobicContact CZ-CE2 4.39Å; F527-F536 HydrophobicContact CZ-CZ 4.43Å; A534-F536 HydrophobicContact CB-CE2 4.3Å |
| 537 | V | 86.2 | Confident | 82.4 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 165 | 180 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | V481 L504 A505 L507 L535 C541 C542 | V481-V537 HydrophobicContact CG1-CG1 4.29Å; V481-V537 HydrophobicContact CG2-CG1 4.32Å; V481-V537 HydrophobicContact CG2-CG2 4.16Å; L504-V537 CarbonylContact C-O 3.53Å; L504-V537 WeakPolarHBondContact CA-O 3.42Å; L504-V537 WeakPolarHBondContact CB-O 3.31Å; A505-V537 HydrophobicContact CB-CG2 4.47Å; A505-V537 PolarHBondContact N-O 3.44Å; A505-V537 PolarHBondContact O-N 2.73Å; L507-V537 HydrophobicContact CD1-CG2 3.83Å; L507-V537 HydrophobicContact CG-CG2 4.34Å; L535-V537 HydrophobicContact CD2-CG1 3.86Å; L535-V537 HydrophobicContact CG-CG1 3.88Å; V537-C541 HydrophobicContact CB-CB 4.45Å; V537-C542 WeakPolarHBondContact CG2-SG 3.24Å |
| 538 | K | 84.8 | Confident | 81.1 | Confident | 93 Ų | 93 | 62.3 Ų | 62.3 | 40% | 0.404 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.4 | 169.8 | -57.5 | -173.5 | 174.4 | -164.6 | 0 | 108.8 | E502 L504 K540 C541 | E502-K538 WeakPolarHBondContact OE2-CD 3.49Å; E502-K538 WeakPolarHBondContact OE2-CE 3.4Å; E502-K538 IonicContact OE2-NZ 2.77Å; E502-K538 PolarHBondContact OE2-NZ 2.94Å; L504-K538 HydrophobicContact CD2-CB 4.4Å; L504-K538 HydrophobicContact CD2-CG 3.85Å; K538-K540 HydrophobicContact CB-CG 4.09Å; K538-K540 PolarHBondContact O-N 2.86Å; K538-C541 VanDerWaalsContact O-CB 3.29Å; K538-C541 WeakPolarHBondContact O-CB 3.38Å; K538-C541 PolarHBondContact O-N 2.92Å |
| 539 | L | 76.3 | Confident | 79.2 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -54.5 | -33.9 | -175.7 | -177.4 | 65.1 | 0 | 0 | 0 | 113.1 | L473 I491 V494 P503 A505 C541 C542 | L473-L539 HydrophobicContact CB-CD1 4.24Å; I491-L539 HydrophobicContact CD1-CD1 4.3Å; V494-L539 HydrophobicContact CG1-CD1 4.41Å; V494-L539 HydrophobicContact CG1-CD2 4.1Å; V494-L539 HydrophobicContact CG2-CD1 4.43Å; P503-L539 PolarHBondContact O-N 2.77Å; A505-L539 HydrophobicContact CB-CD1 3.98Å; L539-C541 PolarHBondContact O-N 3.12Å; L539-C542 PolarHBondContact O-N 2.87Å |
| 540 | K | 77.1 | Confident | 77.1 | Confident | 121 Ų | 121 | 65.4 Ų | 65.4 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -68.3 | -4.2 | 174.7 | 66.6 | -173.1 | 175.1 | -170.9 | 0 | 116 | V470 E502 K538 | V470-K540 HydrophobicContact CG2-CB 4.42Å; E502-K540 IonicContact OE1-NZ 3.45Å; E502-K540 PolarHBondContact OE1-NZ 2.83Å; E502-K540 IonicContact OE2-NZ 3.59Å; E502-K540 PolarHBondContact OE2-NZ 3.04Å; E502-K540 VanDerWaalsContact OE2-NZ 3.11Å; K538-K540 HydrophobicContact CB-CG 4.09Å; K538-K540 PolarHBondContact O-N 2.86Å |
| 541 | C | 78.2 | Confident | 74.9 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -98.3 | -18.3 | 175.5 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | V537 K538 L539 | V537-C541 HydrophobicContact CB-CB 4.45Å; K538-C541 VanDerWaalsContact O-CB 3.29Å; K538-C541 WeakPolarHBondContact O-CB 3.38Å; K538-C541 PolarHBondContact O-N 2.92Å; L539-C541 PolarHBondContact O-N 3.12Å |
| 542 | C | 78.4 | Confident | 72.8 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 5% | 0.054 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 150.3 | 171.4 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | L473 V479 V537 L539 | L473-C542 HydrophobicContact CD1-CB 3.75Å; V479-C542 HydrophobicContact CB-CB 4.14Å; V479-C542 HydrophobicContact CG1-CB 4.2Å; V479-C542 HydrophobicContact CG2-CB 4.26Å; V537-C542 WeakPolarHBondContact CG2-SG 3.24Å; L539-C542 PolarHBondContact O-N 2.87Å |
| 543 | R | 77.9 | Confident | 70.5 | Confident | 126 Ų | 126 | 75 Ų | 75 | 48% | 0.475 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150.7 | 169.6 | -62.2 | 169.9 | 168.7 | -120.3 | -15.3 | 108.2 | V479 E480 D545 | V479-R543 CarbonylContact C-O 3.44Å; V479-R543 WeakPolarHBondContact CA-O 3.36Å; V479-R543 WeakPolarHBondContact CB-O 3.18Å; V479-R543 WeakPolarHBondContact CG1-O 3.37Å; E480-R543 HydrophobicContact CG-CB 3.79Å; E480-R543 PolarHBondContact N-O 3.34Å; E480-R543 PolarHBondContact O-N 2.87Å; R543-D545 PolarHBondContact O-N 3.14Å |
| 544 | P | 77.2 | Confident | 67.9 | Low | 72 Ų | 72 | 75.2 Ų | 75.2 | 47% | 0.468 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 136 | 168.5 | -23.8 | 33.6 | 0 | 0 | 0 | 110.4 | L473 S546 | L473-P544 HydrophobicContact CD2-CG 4.12Å; P544-S546 PolarHBondContact O-N 3.44Å |
| 545 | D | 75.6 | Confident | 65.6 | Low | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.021 | 42% | 0.424 | C | S | . | . | trans | -60.8 | 120.9 | -177.1 | -168.4 | -52.6 | 0 | 0 | 0 | 110.8 | L478 C488 R543 R547 F548 | L478-D545 HydrophobicContact CB-CB 4.02Å; L478-D545 PolarHBondContact O-N 3.11Å; L478-D545 VanDerWaalsContact O-N 3.11Å; C488-D545 VanDerWaalsContact CB-OD2 3.31Å; C488-D545 WeakPolarHBondContact CB-OD2 3.26Å; C488-D545 PolarHBondContact SG-OD2 3.42Å; R543-D545 PolarHBondContact O-N 3.14Å; D545-R547 PolarHBondContact O-N 2.97Å; D545-R547 VanDerWaalsContact O-N 3.07Å; D545-R547 VanDerWaalsContact OD1-CB 3.24Å; D545-R547 WeakPolarHBondContact OD1-CB 3.27Å; D545-R547 WeakPolarHBondContact OD1-CG 3.38Å; D545-R547 IonicContact OD1-CZ 2.78Å; D545-R547 PolarHBondContact OD1-N 3.3Å; D545-R547 IonicContact OD1-NE 2.67Å; D545-R547 PolarHBondContact OD1-NE 3.32Å; D545-R547 IonicContact OD1-NH2 3.19Å; D545-R547 IonicContact OD2-CZ 3.52Å; D545-R547 IonicContact OD2-NE 3.62Å; D545-R547 PolarHBondContact OD2-NE 2.63Å; D545-R547 IonicContact OD2-NH2 3.2Å; D545-R547 PolarHBondContact OD2-NH2 3.48Å; D545-F548 HydrophobicContact CB-CD2 4.21Å; D545-F548 PolarHBondContact O-N 2.88Å | ||
| 546 | S | 72.7 | Confident | 63.6 | Low | 99 Ų | 99 | 80.6 Ų | 80.6 | 69% | 0.692 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.2 | -175.7 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | E480 P544 | E480-S546 WeakPolarHBondContact OE2-CB 3.2Å; E480-S546 PolarHBondContact OE2-N 2.87Å; E480-S546 PolarHBondContact OE2-OG 2.86Å; P544-S546 PolarHBondContact O-N 3.44Å |
| 547 | R | 70 | Confident | 61.5 | Low | 118 Ų | 118 | 80.7 Ų | 80.7 | 45% | 0.445 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -17.8 | 174.3 | -55.3 | 170.8 | -63.1 | 158 | 11.5 | 113.1 | C488 E510 D545 | C488-R547 VanDerWaalsContact CB-NH2 3.32Å; E510-R547 IonicContact OE1-CZ 3.41Å; E510-R547 IonicContact OE1-NH1 3.19Å; E510-R547 IonicContact OE1-NH2 3.53Å; E510-R547 PolarHBondContact OE1-NH2 3.19Å; E510-R547 IonicContact OE2-CZ 2.63Å; E510-R547 IonicContact OE2-NH1 2.77Å; E510-R547 PolarHBondContact OE2-NH1 3.06Å; E510-R547 IonicContact OE2-NH2 2.7Å; E510-R547 PolarHBondContact OE2-NH2 3.29Å; E510-R547 VanDerWaalsContact OE2-NH2 3.11Å; D545-R547 PolarHBondContact O-N 2.97Å; D545-R547 VanDerWaalsContact O-N 3.07Å; D545-R547 VanDerWaalsContact OD1-CB 3.24Å; D545-R547 WeakPolarHBondContact OD1-CB 3.27Å; D545-R547 WeakPolarHBondContact OD1-CG 3.38Å; D545-R547 IonicContact OD1-CZ 2.78Å; D545-R547 PolarHBondContact OD1-N 3.3Å; D545-R547 IonicContact OD1-NE 2.67Å; D545-R547 PolarHBondContact OD1-NE 3.32Å; D545-R547 IonicContact OD1-NH2 3.19Å; D545-R547 IonicContact OD2-CZ 3.52Å; D545-R547 IonicContact OD2-NE 3.62Å; D545-R547 PolarHBondContact OD2-NE 2.63Å; D545-R547 IonicContact OD2-NH2 3.2Å; D545-R547 PolarHBondContact OD2-NH2 3.48Å |
| 548 | F | 62 | Low | 59.6 | Low | 104 Ų | 104 | 80.2 Ų | 80.2 | 46% | 0.456 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -127.9 | 99.2 | -172.6 | -63 | -75.1 | 0 | 0 | 0 | 111.7 | L478 D545 S550 | L478-F548 HydrophobicContact CD1-CB 4.27Å; L478-F548 HydrophobicContact CD1-CD2 3.88Å; L478-F548 HydrophobicContact CD1-CE2 4.33Å; L478-F548 HydrophobicContact CD1-CG 3.98Å; D545-F548 HydrophobicContact CB-CD2 4.21Å; D545-F548 PolarHBondContact O-N 2.88Å; F548-S550 PolarHBondContact O-N 2.86Å |
| 549 | P | 48.3 | Very low | 57.7 | Low | 111 Ų | 111 | 80.5 Ų | 80.5 | 72% | 0.721 | 43% | 0.43 | S | S | * | . | trans | -55.9 | 121.1 | 176.4 | -26.2 | 35.5 | 0 | 0 | 0 | 112.1 | L551 | P549-L551 PolarHBondContact O-N 2.85Š| ||
| 550 | S | 41.3 | Very low | 56.2 | Low | 64 Ų | 64 | 82.7 Ų | 82.7 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | trans | -65 | 122.2 | -172.7 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | F548 H552 H553 | F548-S550 PolarHBondContact O-N 2.86Å; S550-H552 CarbonylContact O-C 3.54Å; S550-H552 PolarHBondContact O-N 3.47Å; S550-H553 PolarHBondContact O-CE1 3.19Å; S550-H553 VanDerWaalsContact O-CE1 3.31Å; S550-H553 PolarHBondContact O-ND1 2.93Å | ||
| 551 | L | 39.4 | Very low | 54.6 | Low | 175 Ų | 175 | 78 Ų | 78 | 92% | 0.916 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -57.6 | -12.1 | -176.6 | -78 | 162.3 | 0 | 0 | 0 | 115.7 | P549 H553 | P549-L551 PolarHBondContact O-N 2.85Å; L551-H553 PolarHBondContact O-N 2.93Å; L551-H553 VanDerWaalsContact O-N 3.1Å |
| 552 | H | 39.4 | Very low | 52.7 | Low | 173 Ų | 173 | 78.9 Ų | 78.9 | 80% | 0.801 | 42% | 0.42 | S | S | * | . | trans | -79.8 | 84.5 | 166.3 | -68.2 | -54.3 | 0 | 0 | 0 | 110.9 | S550 | S550-H552 CarbonylContact O-C 3.54Å; S550-H552 PolarHBondContact O-N 3.47Å | ||
| 553 | H | 37.2 | Very low | 50.8 | Low | 92 Ų | 92 | 80.3 Ų | 80.3 | 43% | 0.426 | 43% | 0.43 | S | S | . | . | trans | -99.7 | 123.3 | 170.3 | -85.2 | 39.6 | 0 | 0 | 0 | 111.3 | S550 L551 S555 R560 | S550-H553 PolarHBondContact O-CE1 3.19Å; S550-H553 VanDerWaalsContact O-CE1 3.31Å; S550-H553 PolarHBondContact O-ND1 2.93Å; L551-H553 PolarHBondContact O-N 2.93Å; L551-H553 VanDerWaalsContact O-N 3.1Å; H553-S555 PolarHBondContact O-N 2.69Å; H553-R560 PolarHBondContact CD2-NH1 2.84Å; H553-R560 PolarHBondContact CE1-NH2 2.88Å; H553-R560 PolarHBondContact NE2-NH1 3.5Å; H553-R560 PolarHBondContact NE2-NH2 3.42Å | ||
| 554 | S | 35.5 | Very low | 48.8 | Very low | 55 Ų | 55 | 82.1 Ų | 82.1 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | trans | -66.1 | 115.1 | 152.8 | 54.7 | 0 | 0 | 0 | 0 | 107.5 | N556 | S554-N556 PolarHBondContact O-N 2.89Å; S554-N556 VanDerWaalsContact O-N 3.11Å | ||
| 555 | S | 41.6 | Very low | 46.8 | Very low | 104 Ų | 104 | 82.9 Ų | 82.9 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -62.1 | -20.3 | -170.4 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | H553 | H553-S555 PolarHBondContact O-N 2.69Š|
| 556 | N | 46.8 | Very low | 45.3 | Very low | 44 Ų | 44 | 86.1 Ų | 86.1 | 24% | 0.235 | 47% | 0.474 | C | S | . | . | trans | -98.2 | 118.5 | -173.7 | -158.1 | -51.1 | 0 | 0 | 0 | 113.2 | S554 I558 E559 R560 | S554-N556 PolarHBondContact O-N 2.89Å; S554-N556 VanDerWaalsContact O-N 3.11Å; N556-I558 PolarHBondContact O-N 2.9Å; N556-I558 VanDerWaalsContact O-N 3.14Å; N556-I558 WeakPolarHBondContact OD1-CB 3.26Å; N556-I558 VanDerWaalsContact OD1-CG1 3.31Å; N556-I558 WeakPolarHBondContact OD1-CG1 3.4Å; N556-I558 PolarHBondContact OD1-N 2.92Å; N556-E559 HydrophobicContact CB-CB 4.22Å; N556-E559 HydrophobicContact CB-CG 4.07Å; N556-E559 PolarHBondContact O-N 2.9Å; N556-R560 PolarHBondContact O-N 3.49Å | ||
| 557 | P | 44.8 | Very low | 44 | Very low | 31 Ų | 31 | 83.4 Ų | 83.4 | 20% | 0.201 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -56.2 | -30 | 175.5 | -27.1 | 36.1 | 0 | 0 | 0 | 114.1 | E559 R560 C561 | P557-E559 VanDerWaalsContact C-N 3.32Å; P557-R560 WeakPolarHBondContact O-CB 3.43Å; P557-R560 PolarHBondContact O-N 3.49Å; P557-C561 PolarHBondContact O-N 2.92Å; P557-C561 PolarHBondContact O-SG 3.29Å |
| 558 | I | 47.7 | Very low | 43.2 | Very low | 13 Ų | 13 | 80.7 Ų | 80.7 | 7% | 0.067 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -70.8 | -31 | 179.1 | -51.7 | 178.2 | 0 | 0 | 0 | 110.6 | N556 C561 N562 H600 T660 M663 | N556-I558 PolarHBondContact O-N 2.9Å; N556-I558 VanDerWaalsContact O-N 3.14Å; N556-I558 WeakPolarHBondContact OD1-CB 3.26Å; N556-I558 VanDerWaalsContact OD1-CG1 3.31Å; N556-I558 WeakPolarHBondContact OD1-CG1 3.4Å; N556-I558 PolarHBondContact OD1-N 2.92Å; I558-C561 WeakPolarHBondContact O-CB 3.49Å; I558-N562 PolarHBondContact O-ND2 3.37Å; I558-H600 WeakPolarHBondContact CG1-NE2 3.24Å; I558-T660 HydrophobicContact CG2-CG2 3.75Å; I558-T660 WeakPolarHBondContact O-CG2 3.45Å; I558-M663 HydrophobicContact CD1-CB 4.07Å; I558-M663 HydrophobicContact CD1-CE 3.63Å; I558-M663 HydrophobicContact CD1-CG 3.61Å; I558-M663 HydrophobicContact CD1-SD 4.3Å; I558-M663 HydrophobicContact CG2-CB 4.16Å; I558-M663 HydrophobicContact CG2-CG 4.47Å |
| 559 | E | 43.6 | Very low | 43.1 | Very low | 99 Ų | 99 | 78.2 Ų | 78.2 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -83.8 | -27.1 | 174.5 | -62.4 | -172.3 | 171.5 | 0 | 0 | 111.9 | N556 P557 C561 N562 S563 | N556-E559 HydrophobicContact CB-CB 4.22Å; N556-E559 HydrophobicContact CB-CG 4.07Å; N556-E559 PolarHBondContact O-N 2.9Å; P557-E559 VanDerWaalsContact C-N 3.32Å; E559-C561 PolarHBondContact O-N 2.86Å; E559-N562 CarbonylContact O-C 3.56Å; E559-N562 WeakPolarHBondContact O-CA 3.29Å; E559-N562 WeakPolarHBondContact O-CB 3.18Å; E559-N562 PolarHBondContact O-N 3Å; E559-S563 PolarHBondContact O-N 3.01Å |
| 560 | R | 46.6 | Very low | 44 | Very low | 64 Ų | 64 | 77 Ų | 77 | 24% | 0.242 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.7 | -34.8 | 168.4 | -141.5 | 170.6 | -167.6 | 148 | 5.7 | 111.8 | H553 N556 P557 N562 S563 F566 N902 | H553-R560 PolarHBondContact CD2-NH1 2.84Å; H553-R560 PolarHBondContact CE1-NH2 2.88Å; H553-R560 PolarHBondContact NE2-NH1 3.5Å; H553-R560 PolarHBondContact NE2-NH2 3.42Å; N556-R560 PolarHBondContact O-N 3.49Å; P557-R560 WeakPolarHBondContact O-CB 3.43Å; P557-R560 PolarHBondContact O-N 3.49Å; R560-N562 PolarHBondContact O-N 2.88Å; R560-S563 VanDerWaalsContact O-CB 3.31Å; R560-S563 WeakPolarHBondContact O-CB 3.45Å; R560-S563 PolarHBondContact O-N 3.28Å; R560-S563 PolarHBondContact O-OG 3.45Å; R560-F566 WeakPolarHBondContact O-CD2 3.49Å; R560-N902 PolarHBondContact NH1-OD1 2.9Å |
| 561 | C | 42.4 | Very low | 45.8 | Very low | 23 Ų | 23 | 74.4 Ų | 74.4 | 16% | 0.155 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.5 | 170.2 | -62.5 | 0 | 0 | 0 | 0 | 114.2 | P557 I558 E559 T660 | P557-C561 PolarHBondContact O-N 2.92Å; P557-C561 PolarHBondContact O-SG 3.29Å; I558-C561 WeakPolarHBondContact O-CB 3.49Å; E559-C561 PolarHBondContact O-N 2.86Å; C561-T660 HydrophobicContact CB-CG2 3.8Å |
| 562 | N | 38.1 | Very low | 47.9 | Very low | 77 Ų | 77 | 72.3 Ų | 72.3 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -3.7 | 172.3 | -56.5 | -46.9 | 0 | 0 | 0 | 112.9 | I558 E559 R560 L570 T660 | I558-N562 PolarHBondContact O-ND2 3.37Å; E559-N562 CarbonylContact O-C 3.56Å; E559-N562 WeakPolarHBondContact O-CA 3.29Å; E559-N562 WeakPolarHBondContact O-CB 3.18Å; E559-N562 PolarHBondContact O-N 3Å; R560-N562 PolarHBondContact O-N 2.88Å; N562-L570 HydrophobicContact CB-CD2 4.43Å; N562-T660 WeakPolarHBondContact OD1-CG2 3.47Å; N562-T660 PolarHBondContact OD1-OG1 2.96Å |
| 563 | S | 39.2 | Very low | 50.3 | Low | 39 Ų | 39 | 67.1 Ų | 67.1 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -76.4 | 154.1 | -177.7 | 76.2 | 0 | 0 | 0 | 0 | 112.3 | E559 R560 A565 F566 | E559-S563 PolarHBondContact O-N 3.01Å; R560-S563 VanDerWaalsContact O-CB 3.31Å; R560-S563 WeakPolarHBondContact O-CB 3.45Å; R560-S563 PolarHBondContact O-N 3.28Å; R560-S563 PolarHBondContact O-OG 3.45Å; S563-A565 PolarHBondContact O-N 2.83Å; S563-F566 PolarHBondContact O-N 3.41Å |
| 564 | I | 36.3 | Very low | 52.9 | Low | 163 Ų | 163 | 63.6 Ų | 63.6 | 84% | 0.836 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -60 | -25.5 | -171 | -63.2 | 171.6 | 0 | 0 | 0 | 112.7 | F566 | I564-F566 PolarHBondContact O-N 3.37Š|
| 565 | A | 33.9 | Very low | 55.3 | Low | 89 Ų | 89 | 67.6 Ų | 67.6 | 74% | 0.736 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -65.7 | -21.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S563 | S563-A565 PolarHBondContact O-N 2.83Š|
| 566 | F | 45.5 | Very low | 57.5 | Low | 72 Ų | 72 | 70 Ų | 70 | 32% | 0.316 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -115 | 17.3 | -174.5 | -69 | -83.6 | 0 | 0 | 0 | 113.7 | R560 S563 I564 G568 Y569 F904 | R560-F566 WeakPolarHBondContact O-CD2 3.49Å; S563-F566 PolarHBondContact O-N 3.41Å; I564-F566 PolarHBondContact O-N 3.37Å; F566-G568 PolarHBondContact O-N 3.09Å; F566-Y569 PolarHBondContact O-N 3.24Å; F566-F904 HydrophobicContact CD1-CE1 4.22Å; F566-F904 HydrophobicContact CE1-CD1 4.39Å; F566-F904 AromaticContact CE1-CE1 3.78Å; F566-F904 HydrophobicContact CE1-CE1 3.78Å |
| 567 | G | 45.5 | Very low | 59.3 | Low | 41 Ų | 41 | 72.3 Ų | 72.3 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -52.3 | -24.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y569 | G567-Y569 VanDerWaalsContact C-N 3.3Å; G567-Y569 PolarHBondContact O-N 3.08Å |
| 568 | G | 51.8 | Low | 61.2 | Low | 61 Ų | 61 | 71.5 Ų | 71.5 | 63% | 0.629 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -73.5 | -8.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F566 K594 | F566-G568 PolarHBondContact O-N 3.09Å; G568-K594 PolarHBondContact O-NZ 2.96Å |
| 569 | Y | 59.7 | Low | 63 | Low | 52 Ų | 52 | 73.6 Ų | 73.6 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -107 | 3.3 | 177.5 | -81.9 | -94.1 | 0 | 0 | 0 | 113.6 | F566 G567 K594 Y656 C658 F904 I906 | F566-Y569 PolarHBondContact O-N 3.24Å; G567-Y569 VanDerWaalsContact C-N 3.3Å; G567-Y569 PolarHBondContact O-N 3.08Å; Y569-K594 HydrophobicContact CD1-CD 3.95Å; Y569-K594 HydrophobicContact CD1-CG 4.28Å; Y569-K594 HydrophobicContact CE1-CD 3.41Å; Y569-K594 VanDerWaalsContact CE1-CD 3.41Å; Y569-K594 HydrophobicContact CE1-CG 3.76Å; Y569-K594 HydrophobicContact CE2-CD 4.45Å; Y569-K594 VanDerWaalsContact CE2-NZ 3.31Å; Y569-K594 VanDerWaalsContact CG-NZ 3.29Å; Y569-Y656 WeakPolarHBondContact O-CE1 3.35Å; Y569-C658 VanDerWaalsContact O-CB 3.25Å; Y569-C658 WeakPolarHBondContact O-CB 3.37Å; Y569-F904 HydrophobicContact CD1-CE2 4.05Å; Y569-F904 HydrophobicContact CE1-CD2 4.32Å; Y569-F904 AromaticContact CE1-CE2 3.56Å; Y569-F904 HydrophobicContact CE1-CE2 3.56Å; Y569-F904 HydrophobicContact CE1-CZ 4.33Å; Y569-F904 HydrophobicContact CE2-CE2 4.09Å; Y569-F904 HydrophobicContact CE2-CZ 4.04Å; Y569-F904 AromaticContact CZ-CE2 3.56Å; Y569-F904 AromaticContact CZ-CZ 3.92Å; Y569-I906 HydrophobicContact CE1-CG1 4.46Å |
| 570 | L | 67.3 | Low | 65 | Low | 85 Ų | 85 | 69.8 Ų | 69.8 | 45% | 0.445 | 40% | 0.395 | S | S | . | . | trans | -64.6 | 147 | 167.6 | -68.3 | 171.1 | 0 | 0 | 0 | 110.5 | N562 | N562-L570 HydrophobicContact CB-CD2 4.43Š| ||
| 571 | S | 79.9 | Confident | 66.5 | Low | 11 Ų | 11 | 71.9 Ų | 71.9 | 8% | 0.077 | 40% | 0.403 | C | S | . | . | trans | -108.1 | 131.2 | 163.4 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | C658 K661 | S571-C658 PolarHBondContact OG-N 2.78Å; S571-C658 VanDerWaalsContact OG-N 3.14Å; S571-C658 PolarHBondContact OG-SG 3.47Å; S571-K661 VanDerWaalsContact O-CE 3.22Å; S571-K661 WeakPolarHBondContact O-CE 3.22Å; S571-K661 PolarHBondContact O-NZ 3.29Å; S571-K661 WeakPolarHBondContact OG-CE 3.24Å; S571-K661 WeakPolarHBondContact OG-CG 3.46Å | ||
| 572 | E | 83.7 | Confident | 67.7 | Low | 131 Ų | 131 | 75 Ų | 75 | 61% | 0.612 | 42% | 0.421 | S | S | * | . | trans | -66.5 | 163.5 | 179.1 | -61.7 | -172.9 | 162.2 | 0 | 0 | 111.1 | P650 H654 | E572-P650 WeakPolarHBondContact O-CG 3.39Å; E572-H654 IonicContact OE2-CE1 3.66Å; E572-H654 PolarHBondContact OE2-CE1 2.66Å; E572-H654 VanDerWaalsContact OE2-CE1 3.32Å; E572-H654 IonicContact OE2-NE2 3.83Å | ||
| 573 | V | 89.3 | Confident | 69.2 | Low | 63 Ų | 63 | 76.7 Ų | 76.7 | 38% | 0.382 | 43% | 0.427 | S | S | . | . | trans | -103.3 | 114.5 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | T645 E646 | V573-T645 CarbonylContact C-O 3.44Å; V573-T645 WeakPolarHBondContact CA-O 3.4Å; V573-E646 HydrophobicContact CG1-CG 4.06Å; V573-E646 HydrophobicContact CG2-CG 3.95Å | ||
| 574 | V | 91.4 | Very high | 70.4 | Confident | 19 Ų | 19 | 80.2 Ų | 80.2 | 12% | 0.115 | 44% | 0.443 | C | S | . | . | trans | -108.6 | 107.7 | -178 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | E576 T645 N649 P650 I653 | V574-E576 HydrophobicContact CG1-CB 4.18Å; V574-T645 PolarHBondContact N-O 2.63Å; V574-T645 VanDerWaalsContact O-CA 3.31Å; V574-T645 WeakPolarHBondContact O-CA 3.41Å; V574-T645 VanDerWaalsContact O-CB 3.28Å; V574-T645 WeakPolarHBondContact O-CB 3.4Å; V574-N649 HydrophobicContact CB-CB 3.9Å; V574-N649 HydrophobicContact CG1-CB 4.24Å; V574-N649 WeakPolarHBondContact O-CB 3.48Å; V574-N649 PolarHBondContact O-ND2 3.06Å; V574-P650 HydrophobicContact CB-CG 4.5Å; V574-P650 HydrophobicContact CG2-CG 4.3Å; V574-I653 HydrophobicContact CB-CD1 4.25Å; V574-I653 HydrophobicContact CG1-CD1 3.54Å; V574-I653 HydrophobicContact CG2-CD1 4.21Å | ||
| 575 | H | 87.1 | Confident | 71.8 | Confident | 138 Ų | 138 | 78.5 Ų | 78.5 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | trans | -77.4 | -18.8 | -179.9 | -63.5 | -67.4 | 0 | 0 | 0 | 113.9 | ||||
| 576 | E | 87.2 | Confident | 73.3 | Confident | 154 Ų | 154 | 74.3 Ų | 74.3 | 72% | 0.72 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -72.5 | 129.5 | -179.3 | -60.9 | -171.2 | 170.7 | 0 | 0 | 111.7 | V574 T578 N649 | V574-E576 HydrophobicContact CG1-CB 4.18Å; E576-T578 PolarHBondContact O-N 3.17Å; E576-T578 PolarHBondContact O-OG1 3.41Å; E576-N649 PolarHBondContact O-ND2 3.03Å; E576-N649 PolarHBondContact O-OD1 3.35Å |
| 577 | N | 83.7 | Confident | 74.9 | Confident | 94 Ų | 94 | 72.3 Ų | 72.3 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | trans | -63.8 | 106.6 | 179.7 | -69.3 | -24.2 | 0 | 0 | 0 | 110.2 | P579 L625 | N577-P579 WeakPolarHBondContact O-CD 3.42Å; N577-L625 HydrophobicContact CB-CD2 4.47Å; N577-L625 WeakPolarHBondContact OD1-CD2 3.28Å | ||
| 578 | T | 84.4 | Confident | 76.6 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 9% | 0.086 | 41% | 0.41 | C | S | . | . | trans | -101.2 | 109.3 | -172.2 | -52.1 | 0 | 0 | 0 | 0 | 110.1 | E576 N649 R652 I653 | E576-T578 PolarHBondContact O-N 3.17Å; E576-T578 PolarHBondContact O-OG1 3.41Å; T578-N649 WeakPolarHBondContact CB-OD1 3.22Å; T578-N649 PolarHBondContact N-OD1 3.25Å; T578-N649 PolarHBondContact OG1-OD1 2.7Å; T578-R652 HydrophobicContact CG2-CB 3.64Å; T578-R652 WeakPolarHBondContact O-CD 3.48Å; T578-R652 PolarHBondContact O-NH1 2.99Å; T578-I653 HydrophobicContact CG2-CD1 3.96Å; T578-I653 HydrophobicContact CG2-CG1 3.61Å; T578-I653 VanDerWaalsContact OG1-CD1 3.26Å; T578-I653 WeakPolarHBondContact OG1-CD1 3.41Å | ||
| 579 | P | 86.2 | Confident | 78.4 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | trans | -65.5 | 155.6 | 170.2 | 29.8 | -35.2 | 0 | 0 | 0 | 110.8 | N577 Y958 | N577-P579 WeakPolarHBondContact O-CD 3.42Å; P579-Y958 HydrophobicContact CB-CD1 3.96Å; P579-Y958 HydrophobicContact CB-CD2 3.72Å; P579-Y958 HydrophobicContact CB-CE1 3.95Å; P579-Y958 HydrophobicContact CB-CE2 3.73Å; P579-Y958 HydrophobicContact CB-CG 3.84Å | ||
| 580 | P | 84.8 | Confident | 79.9 | Confident | 18 Ų | 18 | 74 Ų | 74 | 12% | 0.117 | 38% | 0.381 | C | S | . | . | trans | -63 | 138.2 | 173.9 | 28 | -34.1 | 0 | 0 | 0 | 110.8 | T582 F616 | P580-T582 PolarHBondContact O-N 2.77Å; P580-F616 VanDerWaalsContact CB-O 3.31Å; P580-F616 WeakPolarHBondContact CB-O 3.36Å; P580-F616 WeakPolarHBondContact CG-O 3.46Å | ||
| 581 | R | 80 | Confident | 81.2 | Confident | 108 Ų | 108 | 72 Ų | 72 | 41% | 0.408 | 37% | 0.372 | S | S | . | . | trans | -85.6 | 109.1 | 175 | -66.3 | 178.3 | 176 | -124 | -1.5 | 109.6 | D585 G586 F616 | R581-D585 PolarHBondContact NH1-O 2.92Å; R581-G586 VanDerWaalsContact CB-CA 3.48Å; R581-F616 VanDerWaalsContact O-CD1 3.3Å; R581-F616 WeakPolarHBondContact O-CD1 3.46Å; R581-F616 WeakPolarHBondContact O-CE1 3.37Å | ||
| 582 | T | 67.5 | Low | 81.9 | Confident | 89 Ų | 89 | 72.7 Ų | 72.7 | 55% | 0.546 | 38% | 0.38 | S | S | . | . | trans | -79.9 | 158.5 | 174.1 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | P580 | P580-T582 PolarHBondContact O-N 2.77Š| ||
| 583 | E | 67.7 | Low | 82.3 | Confident | 113 Ų | 113 | 72.3 Ų | 72.3 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 60.7 | -153 | 173.5 | -46 | -165.1 | 157 | 0 | 0 | 113.5 | D585 G586 L587 Y881 | E583-D585 PolarHBondContact O-N 3.4Å; E583-G586 PolarHBondContact O-N 2.71Å; E583-L587 PolarHBondContact O-N 3.19Å; E583-Y881 PolarHBondContact N-O 3.09Å |
| 584 | N | 64.8 | Low | 82.4 | Confident | 113 Ų | 113 | 72 Ų | 72 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.1 | -36.8 | -166.5 | -63 | -16.6 | 0 | 0 | 0 | 113.5 | G586 L587 | N584-G586 PolarHBondContact O-N 3.23Å; N584-G586 VanDerWaalsContact O-N 3.13Å; N584-L587 WeakPolarHBondContact O-CB 3.15Å; N584-L587 PolarHBondContact O-N 2.77Å |
| 585 | D | 65.4 | Low | 82.6 | Confident | 127 Ų | 127 | 73.3 Ų | 73.3 | 68% | 0.679 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.8 | -15.6 | -176.7 | -70.6 | 21 | 0 | 0 | 0 | 114 | R581 E583 | R581-D585 PolarHBondContact NH1-O 2.92Å; E583-D585 PolarHBondContact O-N 3.4Å |
| 586 | G | 67.1 | Low | 83.1 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -94.1 | -27.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R581 E583 N584 I589 M590 | R581-G586 VanDerWaalsContact CB-CA 3.48Å; E583-G586 PolarHBondContact O-N 2.71Å; N584-G586 PolarHBondContact O-N 3.23Å; N584-G586 VanDerWaalsContact O-N 3.13Å; G586-I589 PolarHBondContact O-N 2.83Å; G586-M590 VanDerWaalsContact O-CB 3.3Å; G586-M590 WeakPolarHBondContact O-CB 3.41Å; G586-M590 WeakPolarHBondContact O-CG 3.36Å; G586-M590 PolarHBondContact O-N 2.84Å |
| 587 | L | 78.9 | Confident | 83.6 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.4 | -48.9 | -171 | -164.6 | 67.5 | 0 | 0 | 0 | 112.3 | E583 N584 I589 M590 V591 Y881 L889 | E583-L587 PolarHBondContact O-N 3.19Å; N584-L587 WeakPolarHBondContact O-CB 3.15Å; N584-L587 PolarHBondContact O-N 2.77Å; L587-I589 PolarHBondContact O-N 3.4Å; L587-M590 PolarHBondContact O-N 2.88Å; L587-M590 VanDerWaalsContact O-N 3.1Å; L587-V591 HydrophobicContact CD1-CG2 3.61Å; L587-V591 HydrophobicContact CG-CG2 3.96Å; L587-V591 WeakPolarHBondContact O-CB 3.29Å; L587-V591 WeakPolarHBondContact O-CG2 3.37Å; L587-V591 PolarHBondContact O-N 2.61Å; L587-Y881 HydrophobicContact CD1-CD1 4.25Å; L587-Y881 HydrophobicContact CD1-CD2 4.12Å; L587-Y881 HydrophobicContact CD1-CE1 3.83Å; L587-Y881 HydrophobicContact CD1-CE2 3.74Å; L587-Y881 HydrophobicContact CD1-CG 4.37Å; L587-Y881 HydrophobicContact CD2-CE2 4.1Å; L587-Y881 HydrophobicContact CG-CE2 4.39Å; L587-L889 HydrophobicContact CD1-CD1 4.14Å; L587-L889 HydrophobicContact CD1-CD2 3.83Å; L587-L889 HydrophobicContact CD1-CG 4.31Å |
| 588 | D | 81.8 | Confident | 84.1 | Confident | 147 Ų | 147 | 55.1 Ų | 55.1 | 79% | 0.786 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.3 | -27 | 178.8 | -71.2 | -11.8 | 0 | 0 | 0 | 112.8 | ||
| 589 | I | 88.6 | Confident | 84.5 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -82.2 | -39.7 | 176.1 | -68.2 | 174.6 | 0 | 0 | 0 | 110.8 | G586 L587 K595 I653 G655 | G586-I589 PolarHBondContact O-N 2.83Å; L587-I589 PolarHBondContact O-N 3.4Å; I589-K595 WeakPolarHBondContact O-CD 3.28Å; I589-K595 VanDerWaalsContact O-CE 3.26Å; I589-K595 WeakPolarHBondContact O-CE 3.41Å; I589-K595 PolarHBondContact O-NZ 3.38Å; I589-I653 WeakPolarHBondContact CG2-O 3.36Å; I589-G655 WeakPolarHBondContact O-CA 3.16Å |
| 590 | M | 91.1 | Very high | 84.5 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -89.6 | -19.4 | -169.9 | -70.8 | -72.4 | -71.6 | 0 | 0 | 114.5 | G586 L587 K595 F611 F616 L651 V909 | G586-M590 VanDerWaalsContact O-CB 3.3Å; G586-M590 WeakPolarHBondContact O-CB 3.41Å; G586-M590 WeakPolarHBondContact O-CG 3.36Å; G586-M590 PolarHBondContact O-N 2.84Å; L587-M590 PolarHBondContact O-N 2.88Å; L587-M590 VanDerWaalsContact O-N 3.1Å; M590-K595 WeakPolarHBondContact O-CB 3.37Å; M590-F611 HydrophobicContact CE-CE2 3.67Å; M590-F611 HydrophobicContact CE-CZ 3.89Å; M590-F616 HydrophobicContact CB-CE2 4.43Å; M590-F616 HydrophobicContact CB-CZ 3.77Å; M590-F616 HydrophobicContact CE-CE2 3.71Å; M590-F616 HydrophobicContact CE-CZ 3.99Å; M590-F616 HydrophobicContact CG-CE1 4.25Å; M590-F616 HydrophobicContact CG-CE2 4.32Å; M590-F616 HydrophobicContact CG-CZ 3.62Å; M590-L651 HydrophobicContact CE-CD1 4.17Å; M590-L651 HydrophobicContact CE-CG 4.27Å; M590-L651 HydrophobicContact SD-CD1 4.41Å; M590-L651 VanDerWaalsContact SD-O 3.32Å; M590-V909 WeakPolarHBondContact O-CB 3.19Å; M590-V909 WeakPolarHBondContact O-CG1 3.45Å |
| 591 | V | 94.6 | Very high | 84.4 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 26% | 0.261 | 29% | 0.287 | S | S | . | . | trans | -94.2 | 140.4 | -173.9 | 171 | 0 | 0 | 0 | 0 | 113.1 | L587 L889 V909 P911 | L587-V591 HydrophobicContact CD1-CG2 3.61Å; L587-V591 HydrophobicContact CG-CG2 3.96Å; L587-V591 WeakPolarHBondContact O-CB 3.29Å; L587-V591 WeakPolarHBondContact O-CG2 3.37Å; L587-V591 PolarHBondContact O-N 2.61Å; V591-L889 HydrophobicContact CG2-CD1 4.44Å; V591-L889 HydrophobicContact CG2-CD2 3.55Å; V591-V909 HydrophobicContact CG2-CG1 4.4Å; V591-P911 HydrophobicContact CG1-CG 3.99Å; V591-P911 HydrophobicContact CG2-CG 4.27Å | ||
| 592 | G | 94 | Very high | 84.8 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.6 | 179.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V909 | G592-V909 PolarHBondContact N-O 3.11Å; G592-V909 PolarHBondContact O-N 2.91Å |
| 593 | K | 92.1 | Very high | 86 | Confident | 124 Ų | 124 | 52.2 Ų | 52.2 | 54% | 0.539 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 150 | 158.5 | -80.7 | -165.5 | 173.7 | -165.6 | 0 | 109.6 | D896 Q908 | K593-D896 IonicContact NZ-OD2 3.14Å; K593-D896 PolarHBondContact NZ-OD2 2.71Å; K593-Q908 VanDerWaalsContact CE-OE1 3.29Å; K593-Q908 HydrophobicContact CG-CG 4.22Å |
| 594 | K | 91.6 | Very high | 87.3 | Confident | 56 Ų | 56 | 47 Ų | 47 | 24% | 0.243 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 57.9 | 49.3 | -173.8 | -166.8 | -175 | 169.5 | 163.2 | 0 | 111.5 | G568 Y569 Y656 I906 P907 | G568-K594 PolarHBondContact O-NZ 2.96Å; Y569-K594 HydrophobicContact CD1-CD 3.95Å; Y569-K594 HydrophobicContact CD1-CG 4.28Å; Y569-K594 HydrophobicContact CE1-CD 3.41Å; Y569-K594 VanDerWaalsContact CE1-CD 3.41Å; Y569-K594 HydrophobicContact CE1-CG 3.76Å; Y569-K594 HydrophobicContact CE2-CD 4.45Å; Y569-K594 VanDerWaalsContact CE2-NZ 3.31Å; Y569-K594 VanDerWaalsContact CG-NZ 3.29Å; K594-Y656 HydrophobicContact CG-CD2 3.98Å; K594-Y656 HydrophobicContact CG-CE2 3.83Å; K594-Y656 WeakPolarHBondContact O-CD2 3.29Å; K594-I906 HydrophobicContact CB-CG2 4.1Å; K594-P907 VanDerWaalsContact CA-O 3.24Å; K594-P907 WeakPolarHBondContact CA-O 3.39Å; K594-P907 PolarHBondContact N-O 2.84Å |
| 595 | K | 96.1 | Very high | 88.8 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | trans | -137.8 | 156.8 | 176.5 | -65.6 | -68.2 | -178.1 | 166.5 | 0 | 111 | I589 M590 H654 G655 P907 V909 | I589-K595 WeakPolarHBondContact O-CD 3.28Å; I589-K595 VanDerWaalsContact O-CE 3.26Å; I589-K595 WeakPolarHBondContact O-CE 3.41Å; I589-K595 PolarHBondContact O-NZ 3.38Å; M590-K595 WeakPolarHBondContact O-CB 3.37Å; K595-H654 PolarHBondContact NZ-O 3.39Å; K595-G655 CarbonylContact C-O 3.57Å; K595-G655 WeakPolarHBondContact CA-O 3.38Å; K595-G655 VanDerWaalsContact CD-O 3.24Å; K595-G655 WeakPolarHBondContact CD-O 3.15Å; K595-P907 PolarHBondContact N-O 2.83Å; K595-P907 CarbonylContact O-C 3.59Å; K595-P907 VanDerWaalsContact O-CB 3.28Å; K595-P907 WeakPolarHBondContact O-CB 3.45Å; K595-P907 WeakPolarHBondContact O-CG 3.28Å; K595-V909 HydrophobicContact CB-CB 4.1Å; K595-V909 HydrophobicContact CB-CG2 3.98Å | ||
| 596 | G | 96.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.6 | -158.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G655 Y656 V657 | G596-G655 PolarHBondContact N-O 2.7Å; G596-Y656 WeakPolarHBondContact O-CA 3.5Å; G596-V657 PolarHBondContact O-N 3.47Å; G596-V657 VanDerWaalsContact O-N 3.11Å |
| 597 | I | 97.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.3 | -178.6 | -59.6 | 178.4 | 0 | 0 | 0 | 109.1 | G599 D607 L610 I647 L651 V657 V662 F891 S893 P907 | I597-G599 PolarHBondContact O-N 3.38Å; I597-D607 HydrophobicContact CB-CB 4.29Å; I597-D607 HydrophobicContact CG2-CB 4.1Å; I597-L610 HydrophobicContact CD1-CB 3.7Å; I597-I647 HydrophobicContact CD1-CG2 4.35Å; I597-L651 HydrophobicContact CD1-CD2 4.36Å; I597-L651 HydrophobicContact CG1-CD1 4.35Å; I597-L651 HydrophobicContact CG1-CD2 4.33Å; I597-V657 HydrophobicContact CG1-CB 4.28Å; I597-V657 HydrophobicContact CG1-CG2 4.35Å; I597-V662 HydrophobicContact CG2-CG2 3.44Å; I597-V662 VanDerWaalsContact CG2-CG2 3.44Å; I597-F891 HydrophobicContact CB-CZ 4.04Å; I597-F891 VanDerWaalsContact O-CZ 3.29Å; I597-F891 WeakPolarHBondContact O-CZ 3.42Å; I597-S893 VanDerWaalsContact O-CB 3.27Å; I597-S893 WeakPolarHBondContact O-CB 3.44Å; I597-P907 WeakPolarHBondContact O-CB 3.44Å |
| 598 | Q | 95.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 117.4 | 177.5 | -177.9 | -174.3 | 36.4 | 0 | 0 | 111.1 | Y656 V657 A659 N905 P907 | Q598-Y656 HydrophobicContact CB-CE2 4.11Å; Q598-Y656 VanDerWaalsContact CD-OH 3.32Å; Q598-Y656 PolarHBondContact OE1-OH 2.73Å; Q598-Y656 VanDerWaalsContact OE1-OH 3.11Å; Q598-V657 VanDerWaalsContact CB-O 3.31Å; Q598-V657 WeakPolarHBondContact CB-O 3.23Å; Q598-V657 PolarHBondContact N-O 2.95Å; Q598-A659 HydrophobicContact CB-CB 4.31Å; Q598-A659 HydrophobicContact CG-CB 4.02Å; Q598-A659 WeakPolarHBondContact O-CA 3.14Å; Q598-A659 WeakPolarHBondContact O-CB 3.19Å; Q598-N905 WeakPolarHBondContact CG-O 3.49Å; Q598-N905 PolarHBondContact NE2-O 3.16Å; Q598-P907 HydrophobicContact CB-CG 4.07Å |
| 599 | G | 92.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 148.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I597 S603 D607 S893 N905 | I597-G599 PolarHBondContact O-N 3.38Å; G599-S603 WeakPolarHBondContact CA-OG 3.49Å; G599-D607 WeakPolarHBondContact CA-OD2 3.46Å; G599-S893 PolarHBondContact N-O 2.96Å; G599-N905 WeakPolarHBondContact O-CB 3.43Å; G599-N905 PolarHBondContact O-ND2 3.29Å |
| 600 | H | 86.9 | Confident | 93.8 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 10% | 0.097 | 12% | 0.124 | C | C | . | . | trans | -156.5 | 133.8 | 178.8 | -175.2 | 71.5 | 0 | 0 | 0 | 111.3 | I558 S603 A659 R666 | I558-H600 WeakPolarHBondContact CG1-NE2 3.24Å; H600-S603 PolarHBondContact N-OG 3.01Å; H600-S603 VanDerWaalsContact O-CB 3.32Å; H600-S603 WeakPolarHBondContact O-CB 3.22Å; H600-S603 PolarHBondContact O-N 3.06Å; H600-S603 PolarHBondContact O-OG 3.31Å; H600-A659 HydrophobicContact CB-CB 3.67Å; H600-R666 PolarHBondContact O-NH1 2.81Å | ||
| 601 | Y | 82 | Confident | 94.2 | Very high | 120 Ų | 120 | 25.2 Ų | 25.2 | 47% | 0.471 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | 74.7 | -177.7 | -61.2 | -34.4 | 0 | 0 | 0 | 114.2 | S603 R666 | Y601-S603 PolarHBondContact O-N 3.39Å; Y601-S603 VanDerWaalsContact O-N 3.14Å; Y601-R666 PolarHBondContact O-NH1 3.4Å; Y601-R666 PolarHBondContact O-NH2 2.62Å; Y601-R666 VanDerWaalsContact O-NH2 3.12Å |
| 602 | N | 88.3 | Confident | 94.4 | Very high | 83 Ų | 83 | 23.2 Ų | 23.2 | 44% | 0.444 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 16.3 | 174.7 | -50.6 | -39.1 | 0 | 0 | 0 | 116 | C604 Y605 S680 E682 | N602-C604 PolarHBondContact O-N 3.49Å; N602-C604 VanDerWaalsContact O-N 3.16Å; N602-Y605 WeakPolarHBondContact O-CD1 3.19Å; N602-Y605 WeakPolarHBondContact O-CE1 3.33Å; N602-S680 PolarHBondContact ND2-O 3.29Å; N602-E682 HydrophobicContact CB-CB 4.16Å |
| 603 | S | 93.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -5.4 | -178.2 | 59.4 | 0 | 0 | 0 | 0 | 116.5 | G599 H600 Y601 Y605 L606 D607 | G599-S603 WeakPolarHBondContact CA-OG 3.49Å; H600-S603 PolarHBondContact N-OG 3.01Å; H600-S603 VanDerWaalsContact O-CB 3.32Å; H600-S603 WeakPolarHBondContact O-CB 3.22Å; H600-S603 PolarHBondContact O-N 3.06Å; H600-S603 PolarHBondContact O-OG 3.31Å; Y601-S603 PolarHBondContact O-N 3.39Å; Y601-S603 VanDerWaalsContact O-N 3.14Å; S603-Y605 PolarHBondContact O-N 2.98Å; S603-Y605 VanDerWaalsContact O-N 3.07Å; S603-L606 WeakPolarHBondContact O-CA 3.34Å; S603-L606 WeakPolarHBondContact O-CB 3.47Å; S603-L606 PolarHBondContact O-N 3.42Å; S603-D607 VanDerWaalsContact C-OD2 3.24Å; S603-D607 WeakPolarHBondContact CB-OD2 3.24Å; S603-D607 VanDerWaalsContact O-CG 3.24Å; S603-D607 PolarHBondContact O-N 3.07Å; S603-D607 VanDerWaalsContact OG-CG 3.32Å; S603-D607 PolarHBondContact OG-OD1 3.22Å; S603-D607 PolarHBondContact OG-OD2 3.28Å |
| 604 | C | 95.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 3% | 0.027 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.5 | -30.1 | -166 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | N602 L606 D607 S608 H874 Y875 M894 | N602-C604 PolarHBondContact O-N 3.49Å; N602-C604 VanDerWaalsContact O-N 3.16Å; C604-L606 VanDerWaalsContact C-N 3.3Å; C604-L606 PolarHBondContact O-N 2.86Å; C604-D607 WeakPolarHBondContact CA-OD2 3.45Å; C604-D607 PolarHBondContact N-OD2 2.98Å; C604-D607 PolarHBondContact O-N 3.16Å; C604-S608 VanDerWaalsContact O-CB 3.29Å; C604-S608 WeakPolarHBondContact O-CB 3.23Å; C604-S608 PolarHBondContact O-N 3.39Å; C604-S608 PolarHBondContact O-OG 2.75Å; C604-H874 VanDerWaalsContact CB-ND1 3.27Å; C604-H874 WeakPolarHBondContact CB-ND1 3.42Å; C604-H874 PolarHBondContact SG-ND1 2.89Å; C604-H874 VanDerWaalsContact SG-ND1 3.39Å; C604-Y875 PolarHBondContact SG-N 2.84Å; C604-M894 HydrophobicContact CB-CE 4.15Å |
| 605 | Y | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.9 | -41.6 | 172.2 | 67.7 | -89 | 0 | 0 | 0 | 112.3 | N602 S603 T609 F678 K683 F688 | N602-Y605 WeakPolarHBondContact O-CD1 3.19Å; N602-Y605 WeakPolarHBondContact O-CE1 3.33Å; S603-Y605 PolarHBondContact O-N 2.98Å; S603-Y605 VanDerWaalsContact O-N 3.07Å; Y605-T609 WeakPolarHBondContact O-CB 3.46Å; Y605-T609 PolarHBondContact O-N 3.24Å; Y605-T609 PolarHBondContact O-OG1 3.44Å; Y605-F678 HydrophobicContact CE2-CD1 4.41Å; Y605-F678 AromaticContact CE2-CE1 3.97Å; Y605-F678 HydrophobicContact CE2-CE1 3.97Å; Y605-F678 PolarHBondContact OH-O 3.36Å; Y605-K683 WeakPolarHBondContact CB-O 3.47Å; Y605-K683 HydrophobicContact CD1-CB 4.21Å; Y605-K683 HydrophobicContact CD2-CB 4Å; Y605-K683 HydrophobicContact CE1-CB 3.97Å; Y605-K683 HydrophobicContact CE1-CG 4.2Å; Y605-K683 HydrophobicContact CE2-CB 3.74Å; Y605-K683 HydrophobicContact CE2-CG 4.27Å; Y605-K683 HydrophobicContact CG-CB 4.24Å; Y605-F688 HydrophobicContact CD2-CB 4.08Å; Y605-F688 HydrophobicContact CE2-CB 4.12Å |
| 606 | L | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -78.6 | -47.9 | 179 | -176.8 | 164.8 | 0 | 0 | 0 | 110 | S603 C604 S608 T609 L610 V662 L665 R666 L669 F688 | S603-L606 WeakPolarHBondContact O-CA 3.34Å; S603-L606 WeakPolarHBondContact O-CB 3.47Å; S603-L606 PolarHBondContact O-N 3.42Å; C604-L606 VanDerWaalsContact C-N 3.3Å; C604-L606 PolarHBondContact O-N 2.86Å; L606-S608 PolarHBondContact O-N 2.75Å; L606-T609 PolarHBondContact O-N 2.9Å; L606-L610 HydrophobicContact CD2-CD1 3.52Å; L606-L610 HydrophobicContact CD2-CG 4.02Å; L606-L610 HydrophobicContact CG-CD1 4.41Å; L606-L610 WeakPolarHBondContact O-CB 3.12Å; L606-L610 WeakPolarHBondContact O-CG 3.15Å; L606-L610 PolarHBondContact O-N 3.04Å; L606-V662 HydrophobicContact CD1-CG1 4.28Å; L606-V662 HydrophobicContact CD2-CG1 3.73Å; L606-V662 HydrophobicContact CD2-CG2 4.33Å; L606-L665 HydrophobicContact CD1-CD2 4.25Å; L606-L665 HydrophobicContact CD1-CG 4.5Å; L606-L665 HydrophobicContact CD2-CD2 4.42Å; L606-R666 HydrophobicContact CD1-CG 3.66Å; L606-L669 HydrophobicContact CD1-CD1 4.04Å; L606-F688 HydrophobicContact CD1-CD2 4.32Å; L606-F688 HydrophobicContact CD1-CE2 3.99Å; L606-F688 HydrophobicContact CG-CD2 4.3Å; L606-F688 HydrophobicContact CG-CE1 4.36Å; L606-F688 HydrophobicContact CG-CE2 3.84Å; L606-F688 HydrophobicContact CG-CZ 3.87Å |
| 607 | D | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -56.6 | -52 | -177.7 | -51 | -36.3 | 0 | 0 | 0 | 111 | I597 G599 S603 C604 F611 F891 S893 | I597-D607 HydrophobicContact CB-CB 4.29Å; I597-D607 HydrophobicContact CG2-CB 4.1Å; G599-D607 WeakPolarHBondContact CA-OD2 3.46Å; S603-D607 VanDerWaalsContact C-OD2 3.24Å; S603-D607 WeakPolarHBondContact CB-OD2 3.24Å; S603-D607 VanDerWaalsContact O-CG 3.24Å; S603-D607 PolarHBondContact O-N 3.07Å; S603-D607 VanDerWaalsContact OG-CG 3.32Å; S603-D607 PolarHBondContact OG-OD1 3.22Å; S603-D607 PolarHBondContact OG-OD2 3.28Å; C604-D607 WeakPolarHBondContact CA-OD2 3.45Å; C604-D607 PolarHBondContact N-OD2 2.98Å; C604-D607 PolarHBondContact O-N 3.16Å; D607-F611 VanDerWaalsContact O-CB 3.31Å; D607-F611 WeakPolarHBondContact O-CB 3.36Å; D607-F611 PolarHBondContact O-N 2.79Å; D607-F891 HydrophobicContact CB-CE1 4.36Å; D607-F891 HydrophobicContact CB-CZ 4.38Å; D607-S893 VanDerWaalsContact OD2-CB 3.25Å; D607-S893 WeakPolarHBondContact OD2-CB 3.37Å; D607-S893 PolarHBondContact OD2-OG 2.82Å |
| 608 | S | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.7 | -33.5 | -178.2 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | C604 L606 C612 Y875 V876 | C604-S608 VanDerWaalsContact O-CB 3.29Å; C604-S608 WeakPolarHBondContact O-CB 3.23Å; C604-S608 PolarHBondContact O-N 3.39Å; C604-S608 PolarHBondContact O-OG 2.75Å; L606-S608 PolarHBondContact O-N 2.75Å; S608-C612 WeakPolarHBondContact O-CB 3.37Å; S608-C612 PolarHBondContact O-N 2.63Å; S608-C612 PolarHBondContact O-SG 2.91Å; S608-Y875 PolarHBondContact OG-O 3.33Å; S608-V876 WeakPolarHBondContact OG-CA 3.35Å |
| 609 | T | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.8 | -44 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | Y605 L606 C612 L613 F688 L689 L868 | Y605-T609 WeakPolarHBondContact O-CB 3.46Å; Y605-T609 PolarHBondContact O-N 3.24Å; Y605-T609 PolarHBondContact O-OG1 3.44Å; L606-T609 PolarHBondContact O-N 2.9Å; T609-C612 PolarHBondContact O-N 3.41Å; T609-L613 HydrophobicContact CG2-CD1 3.92Å; T609-L613 WeakPolarHBondContact O-CB 3.31Å; T609-L613 WeakPolarHBondContact O-CG 3.49Å; T609-L613 PolarHBondContact O-N 3.01Å; T609-F688 HydrophobicContact CG2-CD1 3.95Å; T609-F688 HydrophobicContact CG2-CE1 3.76Å; T609-L689 HydrophobicContact CG2-CD1 4.24Å; T609-L689 HydrophobicContact CG2-CD2 3.77Å; T609-L689 HydrophobicContact CG2-CG 4.07Å; T609-L868 VanDerWaalsContact OG1-CD1 3.24Å; T609-L868 WeakPolarHBondContact OG1-CD1 3.44Å |
| 610 | L | 98.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | 174.9 | -72.2 | -171 | 0 | 0 | 0 | 112 | I597 L606 L613 F614 L643 I647 L665 F688 | I597-L610 HydrophobicContact CD1-CB 3.7Å; L606-L610 HydrophobicContact CD2-CD1 3.52Å; L606-L610 HydrophobicContact CD2-CG 4.02Å; L606-L610 HydrophobicContact CG-CD1 4.41Å; L606-L610 WeakPolarHBondContact O-CB 3.12Å; L606-L610 WeakPolarHBondContact O-CG 3.15Å; L606-L610 PolarHBondContact O-N 3.04Å; L610-L613 PolarHBondContact O-N 3.36Å; L610-F614 HydrophobicContact CD2-CD2 3.92Å; L610-F614 HydrophobicContact CD2-CE2 3.77Å; L610-F614 PolarHBondContact O-N 3Å; L610-L643 HydrophobicContact CD1-CD1 3.91Å; L610-L643 HydrophobicContact CD2-CD1 3.84Å; L610-I647 HydrophobicContact CD1-CD1 4.45Å; L610-I647 HydrophobicContact CD1-CG2 4.12Å; L610-L665 HydrophobicContact CD1-CD2 3.96Å; L610-F688 HydrophobicContact CD2-CE1 4.24Å; L610-F688 HydrophobicContact CD2-CZ 3.79Å; L610-F688 HydrophobicContact CG-CE1 4.34Å; L610-F688 HydrophobicContact CG-CZ 3.97Å |
| 611 | F | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | 175.4 | -169 | -89 | 0 | 0 | 0 | 111.4 | M590 D607 L613 S615 L651 A877 V879 F891 V909 | M590-F611 HydrophobicContact CE-CE2 3.67Å; M590-F611 HydrophobicContact CE-CZ 3.89Å; D607-F611 VanDerWaalsContact O-CB 3.31Å; D607-F611 WeakPolarHBondContact O-CB 3.36Å; D607-F611 PolarHBondContact O-N 2.79Å; F611-L613 PolarHBondContact O-N 3.41Å; F611-S615 WeakPolarHBondContact O-CB 3.36Å; F611-S615 PolarHBondContact O-N 2.75Å; F611-S615 VanDerWaalsContact O-N 3.15Å; F611-S615 PolarHBondContact O-OG 3.49Å; F611-L651 HydrophobicContact CD2-CD1 4.23Å; F611-L651 HydrophobicContact CD2-CD2 4.19Å; F611-L651 HydrophobicContact CE2-CD1 4.24Å; F611-A877 HydrophobicContact CD1-CB 4.07Å; F611-V879 HydrophobicContact CD1-CG2 3.66Å; F611-V879 HydrophobicContact CE1-CB 4.3Å; F611-V879 HydrophobicContact CE1-CG2 3.67Å; F611-F891 HydrophobicContact CB-CD1 3.55Å; F611-F891 HydrophobicContact CB-CE1 3.59Å; F611-F891 HydrophobicContact CB-CG 4.35Å; F611-F891 HydrophobicContact CB-CZ 4.42Å; F611-F891 HydrophobicContact CD1-CB 3.65Å; F611-F891 AromaticContact CD1-CD1 3.63Å; F611-F891 HydrophobicContact CD1-CD1 3.63Å; F611-F891 HydrophobicContact CD1-CE1 4.48Å; F611-F891 AromaticContact CD1-CG 3.73Å; F611-F891 HydrophobicContact CD1-CG 3.73Å; F611-F891 AromaticContact CD2-CD1 3.95Å; F611-F891 HydrophobicContact CD2-CD1 3.95Å; F611-F891 HydrophobicContact CD2-CD2 4.15Å; F611-F891 HydrophobicContact CD2-CE1 4.19Å; F611-F891 HydrophobicContact CD2-CE2 4.39Å; F611-F891 AromaticContact CD2-CG 3.92Å; F611-F891 HydrophobicContact CD2-CG 3.92Å; F611-F891 HydrophobicContact CD2-CZ 4.39Å; F611-F891 HydrophobicContact CE1-CB 3.49Å; F611-F891 VanDerWaalsContact CE1-CB 3.49Å; F611-F891 HydrophobicContact CE1-CD1 4.32Å; F611-F891 AromaticContact CE1-CG 3.94Å; F611-F891 HydrophobicContact CE1-CG 3.94Å; F611-F891 HydrophobicContact CE2-CB 4.36Å; F611-F891 HydrophobicContact CE2-CD2 4.2Å; F611-F891 HydrophobicContact CE2-CG 4.11Å; F611-F891 HydrophobicContact CG-CB 4.18Å; F611-F891 AromaticContact CG-CD1 3.42Å; F611-F891 HydrophobicContact CG-CD1 3.42Å; F611-F891 VanDerWaalsContact CG-CD1 3.42Å; F611-F891 HydrophobicContact CG-CD2 4.4Å; F611-F891 AromaticContact CG-CE1 3.85Å; F611-F891 HydrophobicContact CG-CE1 3.85Å; F611-F891 AromaticContact CG-CG 3.72Å; F611-F891 HydrophobicContact CG-CG 3.72Å; F611-F891 HydrophobicContact CG-CZ 4.49Å; F611-F891 HydrophobicContact CZ-CB 3.87Å; F611-F891 HydrophobicContact CZ-CD2 4.5Å; F611-F891 HydrophobicContact CZ-CG 4.13Å; F611-V909 HydrophobicContact CE2-CG2 3.92Å; F611-V909 HydrophobicContact CZ-CG1 4.4Å; F611-V909 HydrophobicContact CZ-CG2 3.83Å |
| 612 | C | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -53.9 | -51.9 | 173.5 | -77 | 0 | 0 | 0 | 0 | 112.4 | S608 T609 F865 A866 A877 M949 | S608-C612 WeakPolarHBondContact O-CB 3.37Å; S608-C612 PolarHBondContact O-N 2.63Å; S608-C612 PolarHBondContact O-SG 2.91Å; T609-C612 PolarHBondContact O-N 3.41Å; C612-F865 WeakPolarHBondContact O-CE2 3.43Å; C612-A866 HydrophobicContact CB-CB 3.77Å; C612-A877 WeakPolarHBondContact SG-CB 3.39Å; C612-M949 HydrophobicContact CB-CE 4Å; C612-M949 HydrophobicContact CB-SD 3.69Å |
| 613 | L | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -75.8 | -28.9 | -169.6 | -69.8 | 175.2 | 0 | 0 | 0 | 114.9 | T609 L610 F611 L620 L689 F693 I756 F865 M949 | T609-L613 HydrophobicContact CG2-CD1 3.92Å; T609-L613 WeakPolarHBondContact O-CB 3.31Å; T609-L613 WeakPolarHBondContact O-CG 3.49Å; T609-L613 PolarHBondContact O-N 3.01Å; L610-L613 PolarHBondContact O-N 3.36Å; F611-L613 PolarHBondContact O-N 3.41Å; L613-L620 HydrophobicContact CD1-CD1 4.07Å; L613-L620 HydrophobicContact CD2-CD1 3.95Å; L613-L620 HydrophobicContact CG-CD1 4.41Å; L613-L689 HydrophobicContact CD1-CD2 3.8Å; L613-F693 HydrophobicContact CD1-CZ 4.04Å; L613-I756 HydrophobicContact CD2-CD1 4.18Å; L613-F865 HydrophobicContact CD2-CZ 4.3Å; L613-M949 HydrophobicContact CD2-SD 3.63Å; L613-M949 HydrophobicContact CG-SD 4.13Å |
| 614 | F | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 0% | 0.004 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -126.7 | -10.5 | -167.6 | -62.2 | -71.9 | 0 | 0 | 0 | 116.1 | L610 L620 L624 L643 V648 R652 | L610-F614 HydrophobicContact CD2-CD2 3.92Å; L610-F614 HydrophobicContact CD2-CE2 3.77Å; L610-F614 PolarHBondContact O-N 3Å; F614-L620 HydrophobicContact CE1-CB 3.79Å; F614-L620 HydrophobicContact CZ-CB 4.12Å; F614-L620 HydrophobicContact CZ-CD1 4.48Å; F614-L624 HydrophobicContact CD1-CD1 3.89Å; F614-L624 HydrophobicContact CE1-CD1 3.85Å; F614-L624 HydrophobicContact CE1-CD2 4.12Å; F614-L624 HydrophobicContact CE1-CG 3.97Å; F614-L624 HydrophobicContact CZ-CD2 4.3Å; F614-L643 HydrophobicContact CE2-CD2 4.44Å; F614-L643 HydrophobicContact CZ-CD2 4.45Å; F614-V648 HydrophobicContact CB-CB 4.43Å; F614-V648 HydrophobicContact CB-CG1 3.94Å; F614-V648 HydrophobicContact CB-CG2 3.64Å; F614-V648 HydrophobicContact CD1-CG1 4.43Å; F614-V648 HydrophobicContact CD1-CG2 4.08Å; F614-V648 HydrophobicContact CD2-CG2 3.99Å; F614-V648 HydrophobicContact CG-CG1 4.42Å; F614-V648 HydrophobicContact CG-CG2 3.64Å; F614-R652 PolarHBondContact O-NE 3.46Å; F614-R652 PolarHBondContact O-NH2 2.99Å; F614-R652 VanDerWaalsContact O-NH2 3.11Å |
| 615 | S | 93.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.014 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -62.7 | -58.3 | -179.6 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | F611 | F611-S615 WeakPolarHBondContact O-CB 3.36Å; F611-S615 PolarHBondContact O-N 2.75Å; F611-S615 VanDerWaalsContact O-N 3.15Å; F611-S615 PolarHBondContact O-OG 3.49Å |
| 616 | F | 91.6 | Very high | 94.6 | Very high | 16 Ų | 16 | 13.4 Ų | 13.4 | 7% | 0.07 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -120.2 | -16.7 | -177.1 | -65.3 | -83.6 | 0 | 0 | 0 | 114.3 | P580 R581 M590 V879 L889 | P580-F616 VanDerWaalsContact CB-O 3.31Å; P580-F616 WeakPolarHBondContact CB-O 3.36Å; P580-F616 WeakPolarHBondContact CG-O 3.46Å; R581-F616 VanDerWaalsContact O-CD1 3.3Å; R581-F616 WeakPolarHBondContact O-CD1 3.46Å; R581-F616 WeakPolarHBondContact O-CE1 3.37Å; M590-F616 HydrophobicContact CB-CE2 4.43Å; M590-F616 HydrophobicContact CB-CZ 3.77Å; M590-F616 HydrophobicContact CE-CE2 3.71Å; M590-F616 HydrophobicContact CE-CZ 3.99Å; M590-F616 HydrophobicContact CG-CE1 4.25Å; M590-F616 HydrophobicContact CG-CE2 4.32Å; M590-F616 HydrophobicContact CG-CZ 3.62Å; F616-V879 HydrophobicContact CB-CG1 4.17Å; F616-V879 HydrophobicContact CD2-CG1 3.84Å; F616-V879 HydrophobicContact CG-CG1 4.45Å; F616-L889 HydrophobicContact CE2-CD1 3.48Å; F616-L889 VanDerWaalsContact CE2-CD1 3.48Å; F616-L889 HydrophobicContact CZ-CD1 3.58Å |
| 617 | S | 91.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | trans | -83.5 | 150.7 | 171.7 | -174 | 0 | 0 | 0 | 0 | 111.8 | V619 R652 Q951 | S617-V619 WeakPolarHBondContact OG-CB 3.27Å; S617-V619 WeakPolarHBondContact OG-CG1 3.07Å; S617-V619 PolarHBondContact OG-N 2.9Å; S617-V619 VanDerWaalsContact OG-N 3.09Å; S617-R652 PolarHBondContact O-NH2 2.87Å; S617-Q951 PolarHBondContact OG-OE1 3.1Å | ||
| 618 | S | 91.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | trans | -112.6 | 6.3 | 168.7 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | L620 D621 | S618-L620 PolarHBondContact O-N 2.85Å; S618-L620 VanDerWaalsContact O-N 3.11Å; S618-D621 WeakPolarHBondContact CA-OD1 3.37Å; S618-D621 WeakPolarHBondContact O-CB 3.21Å; S618-D621 PolarHBondContact O-N 2.79Å | ||
| 619 | V | 91.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 11% | 0.109 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.1 | -166.7 | 78.2 | 0 | 0 | 0 | 0 | 113.6 | S617 S753 C754 F865 Q951 | S617-V619 WeakPolarHBondContact OG-CB 3.27Å; S617-V619 WeakPolarHBondContact OG-CG1 3.07Å; S617-V619 PolarHBondContact OG-N 2.9Å; S617-V619 VanDerWaalsContact OG-N 3.09Å; V619-S753 VanDerWaalsContact CG2-O 3.31Å; V619-S753 WeakPolarHBondContact CG2-O 3.37Å; V619-C754 HydrophobicContact CG1-CB 3.89Å; V619-C754 HydrophobicContact CG2-CB 3.8Å; V619-F865 HydrophobicContact CG1-CE1 4.41Å; V619-F865 HydrophobicContact CG1-CZ 4.21Å; V619-Q951 HydrophobicContact CB-CB 4.24Å; V619-Q951 HydrophobicContact CG2-CB 4.03Å |
| 620 | L | 93.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 11.7 | 175.5 | -58.7 | -175.1 | 0 | 0 | 0 | 113.9 | L613 F614 S618 T622 V623 F693 L702 C754 | L613-L620 HydrophobicContact CD1-CD1 4.07Å; L613-L620 HydrophobicContact CD2-CD1 3.95Å; L613-L620 HydrophobicContact CG-CD1 4.41Å; F614-L620 HydrophobicContact CE1-CB 3.79Å; F614-L620 HydrophobicContact CZ-CB 4.12Å; F614-L620 HydrophobicContact CZ-CD1 4.48Å; S618-L620 PolarHBondContact O-N 2.85Å; S618-L620 VanDerWaalsContact O-N 3.11Å; L620-T622 PolarHBondContact O-N 3.32Å; L620-V623 HydrophobicContact CB-CG2 4.3Å; L620-V623 VanDerWaalsContact O-CB 3.23Å; L620-V623 WeakPolarHBondContact O-CB 3.41Å; L620-V623 PolarHBondContact O-N 2.93Å; L620-F693 HydrophobicContact CD1-CE1 4.42Å; L620-F693 HydrophobicContact CD1-CE2 3.91Å; L620-F693 HydrophobicContact CD1-CZ 3.49Å; L620-F693 VanDerWaalsContact CD1-CZ 3.49Å; L620-L702 HydrophobicContact CD2-CD1 4.2Å; L620-L702 HydrophobicContact CD2-CD2 3.81Å; L620-C754 HydrophobicContact CD2-CB 4.43Å |
| 621 | D | 92.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -24.9 | 179.3 | -82.3 | 40.9 | 0 | 0 | 0 | 112.6 | S618 V623 L624 L625 R652 L957 Y958 | S618-D621 WeakPolarHBondContact CA-OD1 3.37Å; S618-D621 WeakPolarHBondContact O-CB 3.21Å; S618-D621 PolarHBondContact O-N 2.79Å; D621-V623 PolarHBondContact O-N 3.43Å; D621-L624 PolarHBondContact O-N 2.9Å; D621-L624 VanDerWaalsContact O-N 3.08Å; D621-L625 VanDerWaalsContact O-CG 3.29Å; D621-L625 WeakPolarHBondContact O-CG 3.41Å; D621-L625 PolarHBondContact O-N 3.11Å; D621-L625 VanDerWaalsContact O-N 3.11Å; D621-R652 IonicContact OD1-CZ 3.66Å; D621-R652 IonicContact OD1-NH1 2.74Å; D621-R652 PolarHBondContact OD1-NH1 3.14Å; D621-R652 IonicContact OD1-NH2 3.9Å; D621-R652 PolarHBondContact OD1-NH2 3.12Å; D621-R652 IonicContact OD2-CZ 3.66Å; D621-R652 IonicContact OD2-NH1 3.87Å; D621-R652 PolarHBondContact OD2-NH1 3.01Å; D621-R652 IonicContact OD2-NH2 2.77Å; D621-R652 PolarHBondContact OD2-NH2 2.85Å; D621-L957 HydrophobicContact CB-CD2 4.49Å; D621-Y958 HydrophobicContact CB-CE2 4.28Å; D621-Y958 WeakPolarHBondContact OD2-CE2 3.35Å; D621-Y958 PolarHBondContact OD2-OH 2.59Å; D621-Y958 VanDerWaalsContact OD2-OH 3.06Å |
| 622 | T | 91.6 | Very high | 93 | Very high | 80 Ų | 80 | 41.6 Ų | 41.6 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -52.2 | -37.5 | 168 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | L620 L625 R626 L957 | L620-T622 PolarHBondContact O-N 3.32Å; T622-L625 PolarHBondContact O-N 2.88Å; T622-R626 WeakPolarHBondContact O-CB 3.32Å; T622-R626 PolarHBondContact O-N 2.64Å; T622-L957 HydrophobicContact CG2-CD1 3.37Å |
| 623 | V | 93.2 | Very high | 92.6 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -37.8 | 179.2 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L620 D621 L625 Q640 L697 V699 | L620-V623 HydrophobicContact CB-CG2 4.3Å; L620-V623 VanDerWaalsContact O-CB 3.23Å; L620-V623 WeakPolarHBondContact O-CB 3.41Å; L620-V623 PolarHBondContact O-N 2.93Å; D621-V623 PolarHBondContact O-N 3.43Å; V623-L625 VanDerWaalsContact C-N 3.27Å; V623-L625 PolarHBondContact O-N 2.83Å; V623-Q640 PolarHBondContact O-NE2 3.35Å; V623-L697 HydrophobicContact CG1-CB 4.05Å; V623-L697 HydrophobicContact CG1-CD1 3.68Å; V623-L697 HydrophobicContact CG1-CG 4.43Å; V623-V699 HydrophobicContact CB-CG2 4.33Å; V623-V699 HydrophobicContact CG1-CG2 3.58Å; V623-V699 HydrophobicContact CG2-CB 4.41Å; V623-V699 HydrophobicContact CG2-CG1 3.69Å; V623-V699 HydrophobicContact CG2-CG2 3.75Å |
| 624 | L | 93.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.5 | -21.8 | 177.2 | -54.3 | -179.1 | 0 | 0 | 0 | 112.5 | F614 D621 Q640 L643 R644 V648 | F614-L624 HydrophobicContact CD1-CD1 3.89Å; F614-L624 HydrophobicContact CE1-CD1 3.85Å; F614-L624 HydrophobicContact CE1-CD2 4.12Å; F614-L624 HydrophobicContact CE1-CG 3.97Å; F614-L624 HydrophobicContact CZ-CD2 4.3Å; D621-L624 PolarHBondContact O-N 2.9Å; D621-L624 VanDerWaalsContact O-N 3.08Å; L624-Q640 WeakPolarHBondContact O-CG 3.49Å; L624-Q640 PolarHBondContact O-NE2 3.31Å; L624-L643 HydrophobicContact CD2-CB 4.34Å; L624-L643 HydrophobicContact CD2-CD2 3.68Å; L624-L643 HydrophobicContact CD2-CG 3.73Å; L624-R644 HydrophobicContact CB-CB 4.3Å; L624-R644 HydrophobicContact CB-CG 4.28Å; L624-R644 WeakPolarHBondContact O-CD 3.46Å; L624-R644 PolarHBondContact O-NH1 3.45Å; L624-V648 HydrophobicContact CD1-CB 4.03Å; L624-V648 HydrophobicContact CD1-CG1 3.76Å; L624-V648 HydrophobicContact CD1-CG2 4.06Å |
| 625 | L | 92.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 34% | 0.335 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -109 | -13.6 | -173.2 | -62.4 | 173.6 | 0 | 0 | 0 | 114.4 | N577 D621 T622 V623 L957 | N577-L625 HydrophobicContact CB-CD2 4.47Å; N577-L625 WeakPolarHBondContact OD1-CD2 3.28Å; D621-L625 VanDerWaalsContact O-CG 3.29Å; D621-L625 WeakPolarHBondContact O-CG 3.41Å; D621-L625 PolarHBondContact O-N 3.11Å; D621-L625 VanDerWaalsContact O-N 3.11Å; T622-L625 PolarHBondContact O-N 2.88Å; V623-L625 VanDerWaalsContact C-N 3.27Å; V623-L625 PolarHBondContact O-N 2.83Å; L625-L957 HydrophobicContact CD1-CD2 4.18Å |
| 626 | R | 93.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 25% | 0.249 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 128.2 | -178.7 | -176.5 | 174.2 | 75.4 | 76.1 | -22.9 | 111.2 | T622 D632 Y636 Q640 L697 R698 | T622-R626 WeakPolarHBondContact O-CB 3.32Å; T622-R626 PolarHBondContact O-N 2.64Å; R626-D632 IonicContact CZ-OD1 3.45Å; R626-D632 IonicContact CZ-OD2 2.77Å; R626-D632 IonicContact NH1-OD1 2.95Å; R626-D632 PolarHBondContact NH1-OD1 3.28Å; R626-D632 IonicContact NH1-OD2 3.33Å; R626-D632 PolarHBondContact NH1-OD2 2.88Å; R626-D632 IonicContact NH2-OD1 3.37Å; R626-D632 PolarHBondContact NH2-OD1 3.2Å; R626-D632 IonicContact NH2-OD2 2.63Å; R626-Y636 VanDerWaalsContact CZ-OH 3.26Å; R626-Y636 PolarHBondContact NE-OH 3.22Å; R626-Y636 PolarHBondContact NH1-OH 3.16Å; R626-Y636 PolarHBondContact O-OH 3.03Å; R626-Q640 PolarHBondContact O-NE2 2.96Å; R626-Q640 PolarHBondContact O-OE1 3.14Å; R626-L697 PolarHBondContact NH2-O 2.79Å; R626-R698 PolarHBondContact NH2-O 3.12Å |
| 627 | P | 92.4 | Very high | 92.2 | Very high | 106 Ų | 106 | 60.3 Ų | 60.3 | 69% | 0.688 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 147.9 | 175.3 | 27.9 | -34.4 | 0 | 0 | 0 | 112 | S629 | P627-S629 PolarHBondContact O-N 3.41Š|
| 628 | R | 92.5 | Very high | 92.4 | Very high | 118 Ų | 118 | 64.8 Ų | 64.8 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 128 | 174.1 | -173.8 | 175.5 | -179.9 | -178.3 | -0.1 | 111 | D632 V633 Y636 | R628-D632 HydrophobicContact CG-CB 4.09Å; R628-D632 PolarHBondContact NH2-O 3.45Å; R628-V633 PolarHBondContact NH2-O 3.42Å; R628-V633 VanDerWaalsContact NH2-O 3.08Å; R628-Y636 HydrophobicContact CB-CD1 3.68Å; R628-Y636 HydrophobicContact CB-CE1 3.7Å; R628-Y636 HydrophobicContact CG-CD1 3.64Å; R628-Y636 HydrophobicContact CG-CE1 4.13Å; R628-Y636 HydrophobicContact CG-CG 4.45Å |
| 629 | S | 92.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 172.3 | 175.2 | 76.3 | 0 | 0 | 0 | 0 | 112 | P627 T631 D632 | P627-S629 PolarHBondContact O-N 3.41Å; S629-T631 PolarHBondContact O-N 2.84Å; S629-T631 PolarHBondContact OG-N 2.99Å; S629-T631 PolarHBondContact OG-OG1 3.23Å; S629-D632 WeakPolarHBondContact CA-OD2 3.45Å; S629-D632 VanDerWaalsContact CB-OD2 3.29Å; S629-D632 WeakPolarHBondContact CB-OD2 3.25Å; S629-D632 PolarHBondContact N-OD2 3.14Å; S629-D632 PolarHBondContact O-N 3.26Å; S629-D632 PolarHBondContact OG-N 3.39Å; S629-D632 PolarHBondContact OG-OD2 3.21Å |
| 630 | K | 91.8 | Very high | 92.8 | Very high | 223 Ų | 223 | 63.9 Ų | 63.9 | 97% | 0.97 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.5 | 172.2 | -65.2 | -174.1 | 179.7 | -177.9 | 0 | 113.9 | ||
| 631 | T | 90.9 | Very high | 92.9 | Very high | 92 Ų | 92 | 67.1 Ų | 67.1 | 56% | 0.564 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -3.2 | -178.7 | 35.3 | 0 | 0 | 0 | 0 | 113.6 | S629 R698 | S629-T631 PolarHBondContact O-N 2.84Å; S629-T631 PolarHBondContact OG-N 2.99Å; S629-T631 PolarHBondContact OG-OG1 3.23Å; T631-R698 VanDerWaalsContact O-CD 3.27Å; T631-R698 WeakPolarHBondContact O-CD 3.44Å; T631-R698 PolarHBondContact O-NH1 2.72Å |
| 632 | D | 92.2 | Very high | 93.1 | Very high | 12 Ų | 12 | 67.4 Ų | 67.4 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -89 | 142.3 | -178.3 | -63.3 | -45.1 | 0 | 0 | 0 | 112.7 | R626 R628 S629 Y636 | R626-D632 IonicContact CZ-OD1 3.45Å; R626-D632 IonicContact CZ-OD2 2.77Å; R626-D632 IonicContact NH1-OD1 2.95Å; R626-D632 PolarHBondContact NH1-OD1 3.28Å; R626-D632 IonicContact NH1-OD2 3.33Å; R626-D632 PolarHBondContact NH1-OD2 2.88Å; R626-D632 IonicContact NH2-OD1 3.37Å; R626-D632 PolarHBondContact NH2-OD1 3.2Å; R626-D632 IonicContact NH2-OD2 2.63Å; R628-D632 HydrophobicContact CG-CB 4.09Å; R628-D632 PolarHBondContact NH2-O 3.45Å; S629-D632 WeakPolarHBondContact CA-OD2 3.45Å; S629-D632 VanDerWaalsContact CB-OD2 3.29Å; S629-D632 WeakPolarHBondContact CB-OD2 3.25Å; S629-D632 PolarHBondContact N-OD2 3.14Å; S629-D632 PolarHBondContact O-N 3.26Å; S629-D632 PolarHBondContact OG-N 3.39Å; S629-D632 PolarHBondContact OG-OD2 3.21Å; D632-Y636 HydrophobicContact CB-CD1 4.17Å; D632-Y636 HydrophobicContact CB-CD2 3.85Å; D632-Y636 HydrophobicContact CB-CG 3.66Å |
| 633 | V | 89.9 | Confident | 93.3 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | trans | -60.4 | 166.6 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | R628 Y636 H695 I696 | R628-V633 PolarHBondContact NH2-O 3.42Å; R628-V633 VanDerWaalsContact NH2-O 3.08Å; V633-Y636 WeakPolarHBondContact O-CB 3.33Å; V633-Y636 PolarHBondContact O-N 3.28Å; V633-H695 WeakPolarHBondContact CG1-O 3.33Å; V633-I696 HydrophobicContact CG2-CG2 4.39Å | ||
| 634 | E | 90.1 | Very high | 93.5 | Very high | 152 Ų | 152 | 65.3 Ų | 65.3 | 71% | 0.71 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -54.4 | -178.8 | -174.7 | 158.8 | -158.7 | 0 | 0 | 112.5 | Y636 | E634-Y636 PolarHBondContact O-N 3.1Å; E634-Y636 VanDerWaalsContact O-N 3.09Å |
| 635 | Y | 90.7 | Very high | 93.6 | Very high | 69 Ų | 69 | 65.5 Ų | 65.5 | 27% | 0.271 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -0.9 | -179.7 | -52.5 | -62.4 | 0 | 0 | 0 | 115.1 | R637 E638 T639 I668 K671 V672 | Y635-R637 PolarHBondContact O-N 2.69Å; Y635-E638 PolarHBondContact O-N 3.14Å; Y635-T639 WeakPolarHBondContact O-CB 3.25Å; Y635-T639 PolarHBondContact O-N 3.38Å; Y635-T639 PolarHBondContact O-OG1 3.37Å; Y635-I668 HydrophobicContact CG-CG2 4.23Å; Y635-K671 HydrophobicContact CE1-CD 4.15Å; Y635-K671 HydrophobicContact CE2-CB 4.08Å; Y635-V672 HydrophobicContact CD2-CG2 4.2Å |
| 636 | Y | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.7 | -50.1 | -178.2 | 173.9 | -90.5 | 0 | 0 | 0 | 112.4 | R626 R628 D632 V633 E634 Q640 I696 L697 | R626-Y636 VanDerWaalsContact CZ-OH 3.26Å; R626-Y636 PolarHBondContact NE-OH 3.22Å; R626-Y636 PolarHBondContact NH1-OH 3.16Å; R626-Y636 PolarHBondContact O-OH 3.03Å; R628-Y636 HydrophobicContact CB-CD1 3.68Å; R628-Y636 HydrophobicContact CB-CE1 3.7Å; R628-Y636 HydrophobicContact CG-CD1 3.64Å; R628-Y636 HydrophobicContact CG-CE1 4.13Å; R628-Y636 HydrophobicContact CG-CG 4.45Å; D632-Y636 HydrophobicContact CB-CD1 4.17Å; D632-Y636 HydrophobicContact CB-CD2 3.85Å; D632-Y636 HydrophobicContact CB-CG 3.66Å; V633-Y636 WeakPolarHBondContact O-CB 3.33Å; V633-Y636 PolarHBondContact O-N 3.28Å; E634-Y636 PolarHBondContact O-N 3.1Å; E634-Y636 VanDerWaalsContact O-N 3.09Å; Y636-Q640 WeakPolarHBondContact O-CB 3.21Å; Y636-Q640 PolarHBondContact O-N 3.28Å; Y636-Q640 PolarHBondContact OH-NE2 3.47Å; Y636-Q640 VanDerWaalsContact OH-NE2 3.11Å; Y636-I696 WeakPolarHBondContact CD2-O 3.31Å; Y636-L697 HydrophobicContact CD2-CD2 4.18Å; Y636-L697 HydrophobicContact CE2-CB 4.48Å; Y636-L697 HydrophobicContact CE2-CD2 4.13Å; Y636-L697 WeakPolarHBondContact CE2-O 3.27Å |
| 637 | R | 94.1 | Very high | 93.9 | Very high | 134 Ų | 134 | 60.7 Ų | 60.7 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -49.4 | -177.1 | 178.1 | -175.2 | -77.7 | -88.3 | 7.3 | 110.5 | Y635 T639 Q640 E641 | Y635-R637 PolarHBondContact O-N 2.69Å; R637-T639 VanDerWaalsContact C-N 3.32Å; R637-T639 PolarHBondContact O-N 2.89Å; R637-Q640 PolarHBondContact O-N 3.14Å; R637-E641 WeakPolarHBondContact CD-OE1 3.39Å; R637-E641 HydrophobicContact CG-CG 4.19Å; R637-E641 WeakPolarHBondContact CG-OE1 3.4Å; R637-E641 WeakPolarHBondContact CG-OE2 3.46Å; R637-E641 IonicContact CZ-OE1 3.24Å; R637-E641 IonicContact NE-OE1 3.24Å; R637-E641 IonicContact NH1-OE1 3.35Å; R637-E641 PolarHBondContact NH1-OE1 3.1Å; R637-E641 WeakPolarHBondContact O-CB 3.12Å; R637-E641 WeakPolarHBondContact O-CG 3.27Å; R637-E641 PolarHBondContact O-N 3.2Å |
| 638 | E | 94.9 | Very high | 94.1 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.9 | -47 | -179.9 | -171.7 | -178.2 | -176.8 | 0 | 0 | 110.9 | Y635 E641 L642 I668 | Y635-E638 PolarHBondContact O-N 3.14Å; E638-E641 PolarHBondContact O-N 3.33Å; E638-L642 WeakPolarHBondContact O-CB 3.43Å; E638-L642 PolarHBondContact O-N 3.2Å; E638-I668 HydrophobicContact CG-CD1 3.84Å |
| 639 | T | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 178.9 | -49.3 | 0 | 0 | 0 | 0 | 112.3 | Y635 R637 L643 L665 I668 L692 I696 L697 | Y635-T639 WeakPolarHBondContact O-CB 3.25Å; Y635-T639 PolarHBondContact O-N 3.38Å; Y635-T639 PolarHBondContact O-OG1 3.37Å; R637-T639 VanDerWaalsContact C-N 3.32Å; R637-T639 PolarHBondContact O-N 2.89Å; T639-L643 WeakPolarHBondContact O-CB 3.38Å; T639-L643 PolarHBondContact O-N 3.4Å; T639-L665 HydrophobicContact CG2-CD1 3.78Å; T639-I668 WeakPolarHBondContact OG1-CG2 3.41Å; T639-L692 HydrophobicContact CG2-CD1 3.76Å; T639-I696 HydrophobicContact CG2-CG2 3.88Å; T639-I696 WeakPolarHBondContact OG1-CG2 3.17Å; T639-L697 HydrophobicContact CG2-CD2 4.18Å |
| 640 | Q | 96.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 179.1 | -175.5 | -175.5 | 66.7 | 0 | 0 | 112 | V623 L624 R626 Y636 R637 R644 L697 | V623-Q640 PolarHBondContact O-NE2 3.35Å; L624-Q640 WeakPolarHBondContact O-CG 3.49Å; L624-Q640 PolarHBondContact O-NE2 3.31Å; R626-Q640 PolarHBondContact O-NE2 2.96Å; R626-Q640 PolarHBondContact O-OE1 3.14Å; Y636-Q640 WeakPolarHBondContact O-CB 3.21Å; Y636-Q640 PolarHBondContact O-N 3.28Å; Y636-Q640 PolarHBondContact OH-NE2 3.47Å; Y636-Q640 VanDerWaalsContact OH-NE2 3.11Å; R637-Q640 PolarHBondContact O-N 3.14Å; Q640-R644 VanDerWaalsContact O-CB 3.24Å; Q640-R644 WeakPolarHBondContact O-CB 3.41Å; Q640-R644 PolarHBondContact O-N 3.33Å; Q640-L697 HydrophobicContact CB-CD2 4.17Å |
| 641 | E | 95.4 | Very high | 94.5 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 33% | 0.327 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.7 | -39.8 | -180 | -72.4 | 172.5 | -178.6 | 0 | 0 | 111.3 | R637 E638 T645 | R637-E641 WeakPolarHBondContact CD-OE1 3.39Å; R637-E641 HydrophobicContact CG-CG 4.19Å; R637-E641 WeakPolarHBondContact CG-OE1 3.4Å; R637-E641 WeakPolarHBondContact CG-OE2 3.46Å; R637-E641 IonicContact CZ-OE1 3.24Å; R637-E641 IonicContact NE-OE1 3.24Å; R637-E641 IonicContact NH1-OE1 3.35Å; R637-E641 PolarHBondContact NH1-OE1 3.1Å; R637-E641 WeakPolarHBondContact O-CB 3.12Å; R637-E641 WeakPolarHBondContact O-CG 3.27Å; R637-E641 PolarHBondContact O-N 3.2Å; E638-E641 PolarHBondContact O-N 3.33Å; E641-T645 WeakPolarHBondContact O-CB 3.03Å; E641-T645 PolarHBondContact O-N 2.7Å; E641-T645 PolarHBondContact O-OG1 2.88Å |
| 642 | L | 96.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -56.4 | 170.1 | 177.6 | 70.1 | 0 | 0 | 0 | 111.4 | E638 R644 E646 I647 K664 L665 I668 | E638-L642 WeakPolarHBondContact O-CB 3.43Å; E638-L642 PolarHBondContact O-N 3.2Å; L642-R644 PolarHBondContact O-N 3.3Å; L642-E646 HydrophobicContact CD1-CB 3.92Å; L642-E646 HydrophobicContact CD1-CG 4.1Å; L642-E646 VanDerWaalsContact CD1-OE1 3.3Å; L642-E646 WeakPolarHBondContact CD1-OE1 3.44Å; L642-E646 WeakPolarHBondContact O-CA 3.46Å; L642-E646 WeakPolarHBondContact O-CB 3.35Å; L642-E646 PolarHBondContact O-N 2.9Å; L642-I647 HydrophobicContact CG-CD1 4.44Å; L642-I647 PolarHBondContact O-N 3.23Å; L642-K664 HydrophobicContact CD1-CB 3.84Å; L642-K664 HydrophobicContact CD1-CD 3.57Å; L642-K664 HydrophobicContact CD1-CG 4.4Å; L642-K664 HydrophobicContact CD2-CB 3.79Å; L642-L665 HydrophobicContact CD2-CB 3.8Å; L642-L665 HydrophobicContact CD2-CD1 4.29Å; L642-I668 HydrophobicContact CD2-CD1 3.78Å |
| 643 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -63.1 | -41 | -175.5 | -176 | 62 | 0 | 0 | 0 | 111.5 | L610 F614 L624 T639 I647 V648 L665 L692 L697 | L610-L643 HydrophobicContact CD1-CD1 3.91Å; L610-L643 HydrophobicContact CD2-CD1 3.84Å; F614-L643 HydrophobicContact CE2-CD2 4.44Å; F614-L643 HydrophobicContact CZ-CD2 4.45Å; L624-L643 HydrophobicContact CD2-CB 4.34Å; L624-L643 HydrophobicContact CD2-CD2 3.68Å; L624-L643 HydrophobicContact CD2-CG 3.73Å; T639-L643 WeakPolarHBondContact O-CB 3.38Å; T639-L643 PolarHBondContact O-N 3.4Å; L643-I647 HydrophobicContact CD1-CB 4.38Å; L643-I647 HydrophobicContact CD1-CD1 4.27Å; L643-I647 HydrophobicContact CD1-CG2 4.38Å; L643-V648 HydrophobicContact CD1-CG2 4.24Å; L643-V648 HydrophobicContact CG-CG2 4.37Å; L643-V648 WeakPolarHBondContact O-CB 3.41Å; L643-V648 WeakPolarHBondContact O-CG2 3.48Å; L643-V648 PolarHBondContact O-N 2.85Å; L643-L665 HydrophobicContact CD1-CD2 4.46Å; L643-L692 HydrophobicContact CD2-CD2 4.35Å; L643-L697 HydrophobicContact CD2-CD1 4.18Å |
| 644 | R | 96.4 | Very high | 94.7 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 17% | 0.166 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -70.6 | -56.5 | 176.5 | -171.5 | 175.2 | 70.6 | -121.8 | -3 | 111.9 | L624 Q640 L642 N649 | L624-R644 HydrophobicContact CB-CB 4.3Å; L624-R644 HydrophobicContact CB-CG 4.28Å; L624-R644 WeakPolarHBondContact O-CD 3.46Å; L624-R644 PolarHBondContact O-NH1 3.45Å; Q640-R644 VanDerWaalsContact O-CB 3.24Å; Q640-R644 WeakPolarHBondContact O-CB 3.41Å; Q640-R644 PolarHBondContact O-N 3.33Å; L642-R644 PolarHBondContact O-N 3.3Å; R644-N649 WeakPolarHBondContact O-CB 3.3Å; R644-N649 VanDerWaalsContact O-CG 3.23Å; R644-N649 PolarHBondContact O-N 2.84Å; R644-N649 PolarHBondContact O-ND2 2.68Å |
| 645 | T | 95.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 4% | 0.043 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -96.9 | -20.7 | -162.8 | 70.1 | 0 | 0 | 0 | 0 | 115.4 | V573 V574 E641 P650 | V573-T645 CarbonylContact C-O 3.44Å; V573-T645 WeakPolarHBondContact CA-O 3.4Å; V574-T645 PolarHBondContact N-O 2.63Å; V574-T645 VanDerWaalsContact O-CA 3.31Å; V574-T645 WeakPolarHBondContact O-CA 3.41Å; V574-T645 VanDerWaalsContact O-CB 3.28Å; V574-T645 WeakPolarHBondContact O-CB 3.4Å; E641-T645 WeakPolarHBondContact O-CB 3.03Å; E641-T645 PolarHBondContact O-N 2.7Å; E641-T645 PolarHBondContact O-OG1 2.88Å; T645-P650 WeakPolarHBondContact O-CD 3.37Å; T645-P650 VanDerWaalsContact O-CG 3.27Å; T645-P650 WeakPolarHBondContact O-CG 3.46Å |
| 646 | E | 95.4 | Very high | 95 | Very high | 28 Ų | 28 | 25.8 Ų | 25.8 | 13% | 0.131 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -105.7 | -12 | 175.4 | -55.2 | -159.2 | -111.7 | 0 | 0 | 113.6 | V573 L642 K661 K664 | V573-E646 HydrophobicContact CG1-CG 4.06Å; V573-E646 HydrophobicContact CG2-CG 3.95Å; L642-E646 HydrophobicContact CD1-CB 3.92Å; L642-E646 HydrophobicContact CD1-CG 4.1Å; L642-E646 VanDerWaalsContact CD1-OE1 3.3Å; L642-E646 WeakPolarHBondContact CD1-OE1 3.44Å; L642-E646 WeakPolarHBondContact O-CA 3.46Å; L642-E646 WeakPolarHBondContact O-CB 3.35Å; L642-E646 PolarHBondContact O-N 2.9Å; E646-K661 HydrophobicContact CB-CB 4.47Å; E646-K661 HydrophobicContact CB-CD 4Å; E646-K661 HydrophobicContact CB-CG 4.37Å; E646-K661 WeakPolarHBondContact O-CG 3.42Å; E646-K661 WeakPolarHBondContact OE2-CD 3.21Å; E646-K661 WeakPolarHBondContact OE2-CE 3.16Å; E646-K661 IonicContact OE2-NZ 2.7Å; E646-K661 PolarHBondContact OE2-NZ 2.99Å; E646-K664 IonicContact OE1-NZ 3.53Å; E646-K664 PolarHBondContact OE1-NZ 2.71Å; E646-K664 IonicContact OE2-NZ 3.48Å; E646-K664 PolarHBondContact OE2-NZ 3.27Å |
| 647 | I | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -121.7 | -67.7 | -178.8 | -55.9 | 177 | 0 | 0 | 0 | 111.7 | I597 L610 L642 L643 P650 L651 V657 K661 L665 | I597-I647 HydrophobicContact CD1-CG2 4.35Å; L610-I647 HydrophobicContact CD1-CD1 4.45Å; L610-I647 HydrophobicContact CD1-CG2 4.12Å; L642-I647 HydrophobicContact CG-CD1 4.44Å; L642-I647 PolarHBondContact O-N 3.23Å; L643-I647 HydrophobicContact CD1-CB 4.38Å; L643-I647 HydrophobicContact CD1-CD1 4.27Å; L643-I647 HydrophobicContact CD1-CG2 4.38Å; I647-P650 WeakPolarHBondContact O-CD 3.43Å; I647-L651 VanDerWaalsContact O-CB 3.24Å; I647-L651 WeakPolarHBondContact O-CB 3.28Å; I647-L651 PolarHBondContact O-N 3.17Å; I647-V657 HydrophobicContact CB-CG1 4.5Å; I647-V657 HydrophobicContact CG1-CG1 4.33Å; I647-V657 HydrophobicContact CG2-CG1 4.35Å; I647-V657 HydrophobicContact CG2-CG2 4.42Å; I647-V657 VanDerWaalsContact O-CG2 3.23Å; I647-V657 WeakPolarHBondContact O-CG2 3.38Å; I647-K661 HydrophobicContact CG1-CB 3.98Å; I647-L665 HydrophobicContact CD1-CB 4.39Å; I647-L665 HydrophobicContact CD1-CD2 4.12Å |
| 648 | V | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -71.6 | -48.1 | -169.8 | 173.9 | 0 | 0 | 0 | 0 | 113.3 | F614 L624 L643 L651 R652 | F614-V648 HydrophobicContact CB-CB 4.43Å; F614-V648 HydrophobicContact CB-CG1 3.94Å; F614-V648 HydrophobicContact CB-CG2 3.64Å; F614-V648 HydrophobicContact CD1-CG1 4.43Å; F614-V648 HydrophobicContact CD1-CG2 4.08Å; F614-V648 HydrophobicContact CD2-CG2 3.99Å; F614-V648 HydrophobicContact CG-CG1 4.42Å; F614-V648 HydrophobicContact CG-CG2 3.64Å; L624-V648 HydrophobicContact CD1-CB 4.03Å; L624-V648 HydrophobicContact CD1-CG1 3.76Å; L624-V648 HydrophobicContact CD1-CG2 4.06Å; L643-V648 HydrophobicContact CD1-CG2 4.24Å; L643-V648 HydrophobicContact CG-CG2 4.37Å; L643-V648 WeakPolarHBondContact O-CB 3.41Å; L643-V648 WeakPolarHBondContact O-CG2 3.48Å; L643-V648 PolarHBondContact O-N 2.85Å; V648-L651 PolarHBondContact O-N 3.31Å; V648-R652 WeakPolarHBondContact O-CG 3.41Å; V648-R652 PolarHBondContact O-N 3.04Å |
| 649 | N | 95.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 177.3 | -66.5 | -25.3 | 0 | 0 | 0 | 111.5 | V574 E576 T578 R644 L651 R652 I653 | V574-N649 HydrophobicContact CB-CB 3.9Å; V574-N649 HydrophobicContact CG1-CB 4.24Å; V574-N649 WeakPolarHBondContact O-CB 3.48Å; V574-N649 PolarHBondContact O-ND2 3.06Å; E576-N649 PolarHBondContact O-ND2 3.03Å; E576-N649 PolarHBondContact O-OD1 3.35Å; T578-N649 WeakPolarHBondContact CB-OD1 3.22Å; T578-N649 PolarHBondContact N-OD1 3.25Å; T578-N649 PolarHBondContact OG1-OD1 2.7Å; R644-N649 WeakPolarHBondContact O-CB 3.3Å; R644-N649 VanDerWaalsContact O-CG 3.23Å; R644-N649 PolarHBondContact O-N 2.84Å; R644-N649 PolarHBondContact O-ND2 2.68Å; N649-L651 PolarHBondContact O-N 3.31Å; N649-R652 PolarHBondContact O-N 2.82Å; N649-I653 PolarHBondContact O-N 2.99Å |
| 650 | P | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.1 | -36.9 | 176.2 | -25.6 | 36.8 | 0 | 0 | 0 | 114 | E572 V574 T645 I647 I653 H654 | E572-P650 WeakPolarHBondContact O-CG 3.39Å; V574-P650 HydrophobicContact CB-CG 4.5Å; V574-P650 HydrophobicContact CG2-CG 4.3Å; T645-P650 WeakPolarHBondContact O-CD 3.37Å; T645-P650 VanDerWaalsContact O-CG 3.27Å; T645-P650 WeakPolarHBondContact O-CG 3.46Å; I647-P650 WeakPolarHBondContact O-CD 3.43Å; P650-I653 PolarHBondContact O-N 2.91Å; P650-H654 PolarHBondContact O-CD2 2.77Å; P650-H654 PolarHBondContact O-N 3.21Å |
| 651 | L | 95.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.3 | -49.9 | 172.2 | -177.7 | 62.1 | 0 | 0 | 0 | 110.8 | M590 I597 F611 I647 V648 N649 I653 G655 V657 | M590-L651 HydrophobicContact CE-CD1 4.17Å; M590-L651 HydrophobicContact CE-CG 4.27Å; M590-L651 HydrophobicContact SD-CD1 4.41Å; M590-L651 VanDerWaalsContact SD-O 3.32Å; I597-L651 HydrophobicContact CD1-CD2 4.36Å; I597-L651 HydrophobicContact CG1-CD1 4.35Å; I597-L651 HydrophobicContact CG1-CD2 4.33Å; F611-L651 HydrophobicContact CD2-CD1 4.23Å; F611-L651 HydrophobicContact CD2-CD2 4.19Å; F611-L651 HydrophobicContact CE2-CD1 4.24Å; I647-L651 VanDerWaalsContact O-CB 3.24Å; I647-L651 WeakPolarHBondContact O-CB 3.28Å; I647-L651 PolarHBondContact O-N 3.17Å; V648-L651 PolarHBondContact O-N 3.31Å; N649-L651 PolarHBondContact O-N 3.31Å; L651-I653 PolarHBondContact O-N 3.27Å; L651-G655 WeakPolarHBondContact O-CA 3.18Å; L651-G655 PolarHBondContact O-N 2.77Å; L651-V657 HydrophobicContact CB-CG2 3.74Å; L651-V657 HydrophobicContact CD1-CG2 4.37Å |
| 652 | R | 93.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 2% | 0.015 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.9 | -21.1 | -176.9 | -70.3 | 174.1 | 176.3 | 171.3 | 0.5 | 114.7 | T578 F614 S617 D621 V648 N649 | T578-R652 HydrophobicContact CG2-CB 3.64Å; T578-R652 WeakPolarHBondContact O-CD 3.48Å; T578-R652 PolarHBondContact O-NH1 2.99Å; F614-R652 PolarHBondContact O-NE 3.46Å; F614-R652 PolarHBondContact O-NH2 2.99Å; F614-R652 VanDerWaalsContact O-NH2 3.11Å; S617-R652 PolarHBondContact O-NH2 2.87Å; D621-R652 IonicContact OD1-CZ 3.66Å; D621-R652 IonicContact OD1-NH1 2.74Å; D621-R652 PolarHBondContact OD1-NH1 3.14Å; D621-R652 IonicContact OD1-NH2 3.9Å; D621-R652 PolarHBondContact OD1-NH2 3.12Å; D621-R652 IonicContact OD2-CZ 3.66Å; D621-R652 IonicContact OD2-NH1 3.87Å; D621-R652 PolarHBondContact OD2-NH1 3.01Å; D621-R652 IonicContact OD2-NH2 2.77Å; D621-R652 PolarHBondContact OD2-NH2 2.85Å; V648-R652 WeakPolarHBondContact O-CG 3.41Å; V648-R652 PolarHBondContact O-N 3.04Å; N649-R652 PolarHBondContact O-N 2.82Å |
| 653 | I | 91.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 13 Ų | 13 | 25% | 0.246 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -98.1 | -45.2 | 179.7 | -71.3 | 169.4 | 0 | 0 | 0 | 113.2 | V574 T578 I589 N649 P650 L651 | V574-I653 HydrophobicContact CB-CD1 4.25Å; V574-I653 HydrophobicContact CG1-CD1 3.54Å; V574-I653 HydrophobicContact CG2-CD1 4.21Å; T578-I653 HydrophobicContact CG2-CD1 3.96Å; T578-I653 HydrophobicContact CG2-CG1 3.61Å; T578-I653 VanDerWaalsContact OG1-CD1 3.26Å; T578-I653 WeakPolarHBondContact OG1-CD1 3.41Å; I589-I653 WeakPolarHBondContact CG2-O 3.36Å; N649-I653 PolarHBondContact O-N 2.99Å; P650-I653 PolarHBondContact O-N 2.91Å; L651-I653 PolarHBondContact O-N 3.27Å |
| 654 | H | 91.3 | Very high | 93.2 | Very high | 65 Ų | 65 | 17.2 Ų | 17.2 | 30% | 0.301 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -105.8 | -10.3 | -173.2 | -46.8 | -87.4 | 0 | 0 | 0 | 112.6 | E572 K595 P650 Y656 | E572-H654 IonicContact OE2-CE1 3.66Å; E572-H654 PolarHBondContact OE2-CE1 2.66Å; E572-H654 VanDerWaalsContact OE2-CE1 3.32Å; E572-H654 IonicContact OE2-NE2 3.83Å; K595-H654 PolarHBondContact NZ-O 3.39Å; P650-H654 PolarHBondContact O-CD2 2.77Å; P650-H654 PolarHBondContact O-N 3.21Å; H654-Y656 VanDerWaalsContact C-N 3.25Å; H654-Y656 PolarHBondContact O-N 2.93Å |
| 655 | G | 92.8 | Very high | 93 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 72.1 | 14.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I589 K595 G596 L651 | I589-G655 WeakPolarHBondContact O-CA 3.16Å; K595-G655 CarbonylContact C-O 3.57Å; K595-G655 WeakPolarHBondContact CA-O 3.38Å; K595-G655 VanDerWaalsContact CD-O 3.24Å; K595-G655 WeakPolarHBondContact CD-O 3.15Å; G596-G655 PolarHBondContact N-O 2.7Å; L651-G655 WeakPolarHBondContact O-CA 3.18Å; L651-G655 PolarHBondContact O-N 2.77Å |
| 656 | Y | 94.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 14.8 Ų | 14.8 | 6% | 0.063 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 139.9 | -171.9 | 178 | -99.4 | 0 | 0 | 0 | 113 | Y569 K594 G596 Q598 H654 C658 P907 | Y569-Y656 WeakPolarHBondContact O-CE1 3.35Å; K594-Y656 HydrophobicContact CG-CD2 3.98Å; K594-Y656 HydrophobicContact CG-CE2 3.83Å; K594-Y656 WeakPolarHBondContact O-CD2 3.29Å; G596-Y656 WeakPolarHBondContact O-CA 3.5Å; Q598-Y656 HydrophobicContact CB-CE2 4.11Å; Q598-Y656 VanDerWaalsContact CD-OH 3.32Å; Q598-Y656 PolarHBondContact OE1-OH 2.73Å; Q598-Y656 VanDerWaalsContact OE1-OH 3.11Å; H654-Y656 VanDerWaalsContact C-N 3.25Å; H654-Y656 PolarHBondContact O-N 2.93Å; Y656-C658 HydrophobicContact CE1-CB 3.96Å; Y656-P907 HydrophobicContact CD2-CG 4.16Å; Y656-P907 HydrophobicContact CE2-CG 3.86Å |
| 657 | V | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.4 | 171.7 | -176.8 | 0 | 0 | 0 | 0 | 109 | G596 I597 Q598 I647 L651 K661 | G596-V657 PolarHBondContact O-N 3.47Å; G596-V657 VanDerWaalsContact O-N 3.11Å; I597-V657 HydrophobicContact CG1-CB 4.28Å; I597-V657 HydrophobicContact CG1-CG2 4.35Å; Q598-V657 VanDerWaalsContact CB-O 3.31Å; Q598-V657 WeakPolarHBondContact CB-O 3.23Å; Q598-V657 PolarHBondContact N-O 2.95Å; I647-V657 HydrophobicContact CB-CG1 4.5Å; I647-V657 HydrophobicContact CG1-CG1 4.33Å; I647-V657 HydrophobicContact CG2-CG1 4.35Å; I647-V657 HydrophobicContact CG2-CG2 4.42Å; I647-V657 VanDerWaalsContact O-CG2 3.23Å; I647-V657 WeakPolarHBondContact O-CG2 3.38Å; L651-V657 HydrophobicContact CB-CG2 3.74Å; L651-V657 HydrophobicContact CD1-CG2 4.37Å; V657-K661 HydrophobicContact CG1-CB 3.91Å; V657-K661 HydrophobicContact CG1-CG 3.94Å |
| 658 | C | 90.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | trans | -84.5 | 151.3 | 178.8 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | Y569 S571 Y656 T660 K661 | Y569-C658 VanDerWaalsContact O-CB 3.25Å; Y569-C658 WeakPolarHBondContact O-CB 3.37Å; S571-C658 PolarHBondContact OG-N 2.78Å; S571-C658 VanDerWaalsContact OG-N 3.14Å; S571-C658 PolarHBondContact OG-SG 3.47Å; Y656-C658 HydrophobicContact CE1-CB 3.96Å; C658-T660 PolarHBondContact O-N 3.24Å; C658-T660 PolarHBondContact SG-OG1 2.86Å; C658-T660 VanDerWaalsContact SG-OG1 3.38Å; C658-K661 PolarHBondContact O-N 2.98Å | ||
| 659 | A | 89.2 | Confident | 92 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 5% | 0.05 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.7 | -21.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q598 H600 K661 V662 M663 | Q598-A659 HydrophobicContact CB-CB 4.31Å; Q598-A659 HydrophobicContact CG-CB 4.02Å; Q598-A659 WeakPolarHBondContact O-CA 3.14Å; Q598-A659 WeakPolarHBondContact O-CB 3.19Å; H600-A659 HydrophobicContact CB-CB 3.67Å; A659-K661 VanDerWaalsContact C-N 3.28Å; A659-K661 PolarHBondContact O-N 3.07Å; A659-V662 PolarHBondContact O-N 3.13Å; A659-M663 PolarHBondContact O-N 2.98Å |
| 660 | T | 85.4 | Confident | 91.6 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 7% | 0.067 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.6 | -30.4 | 179.3 | 83.6 | 0 | 0 | 0 | 0 | 111.9 | I558 C561 N562 C658 K664 | I558-T660 HydrophobicContact CG2-CG2 3.75Å; I558-T660 WeakPolarHBondContact O-CG2 3.45Å; C561-T660 HydrophobicContact CB-CG2 3.8Å; N562-T660 WeakPolarHBondContact OD1-CG2 3.47Å; N562-T660 PolarHBondContact OD1-OG1 2.96Å; C658-T660 PolarHBondContact O-N 3.24Å; C658-T660 PolarHBondContact SG-OG1 2.86Å; C658-T660 VanDerWaalsContact SG-OG1 3.38Å; T660-K664 PolarHBondContact O-N 3.05Å; T660-K664 VanDerWaalsContact O-N 3.1Å |
| 661 | K | 91.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 27.1 Ų | 27.1 | 9% | 0.087 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.1 | -42 | 173.5 | -43.9 | -56.2 | -155 | 172.1 | 0 | 111.6 | S571 E646 I647 V657 C658 A659 M663 K664 L665 | S571-K661 VanDerWaalsContact O-CE 3.22Å; S571-K661 WeakPolarHBondContact O-CE 3.22Å; S571-K661 PolarHBondContact O-NZ 3.29Å; S571-K661 WeakPolarHBondContact OG-CE 3.24Å; S571-K661 WeakPolarHBondContact OG-CG 3.46Å; E646-K661 HydrophobicContact CB-CB 4.47Å; E646-K661 HydrophobicContact CB-CD 4Å; E646-K661 HydrophobicContact CB-CG 4.37Å; E646-K661 WeakPolarHBondContact O-CG 3.42Å; E646-K661 WeakPolarHBondContact OE2-CD 3.21Å; E646-K661 WeakPolarHBondContact OE2-CE 3.16Å; E646-K661 IonicContact OE2-NZ 2.7Å; E646-K661 PolarHBondContact OE2-NZ 2.99Å; I647-K661 HydrophobicContact CG1-CB 3.98Å; V657-K661 HydrophobicContact CG1-CB 3.91Å; V657-K661 HydrophobicContact CG1-CG 3.94Å; C658-K661 PolarHBondContact O-N 2.98Å; A659-K661 VanDerWaalsContact C-N 3.28Å; A659-K661 PolarHBondContact O-N 3.07Å; K661-M663 VanDerWaalsContact C-N 3.34Å; K661-K664 WeakPolarHBondContact O-CB 3.32Å; K661-K664 PolarHBondContact O-N 3.34Å; K661-L665 PolarHBondContact O-N 2.9Å |
| 662 | V | 92.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.4 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | I597 L606 A659 K664 L665 R666 | I597-V662 HydrophobicContact CG2-CG2 3.44Å; I597-V662 VanDerWaalsContact CG2-CG2 3.44Å; L606-V662 HydrophobicContact CD1-CG1 4.28Å; L606-V662 HydrophobicContact CD2-CG1 3.73Å; L606-V662 HydrophobicContact CD2-CG2 4.33Å; A659-V662 PolarHBondContact O-N 3.13Å; V662-K664 PolarHBondContact O-N 3.21Å; V662-L665 WeakPolarHBondContact O-CA 3.46Å; V662-L665 WeakPolarHBondContact O-CB 3.27Å; V662-L665 PolarHBondContact O-N 2.62Å; V662-R666 HydrophobicContact CG1-CG 4.28Å; V662-R666 WeakPolarHBondContact O-CG 3.24Å; V662-R666 PolarHBondContact O-N 2.8Å |
| 663 | M | 89.4 | Confident | 88.7 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.5 | -34.2 | 178 | -171.9 | 56.4 | 67 | 0 | 0 | 112.8 | I558 A659 K661 L665 R666 R667 T679 | I558-M663 HydrophobicContact CD1-CB 4.07Å; I558-M663 HydrophobicContact CD1-CE 3.63Å; I558-M663 HydrophobicContact CD1-CG 3.61Å; I558-M663 HydrophobicContact CD1-SD 4.3Å; I558-M663 HydrophobicContact CG2-CB 4.16Å; I558-M663 HydrophobicContact CG2-CG 4.47Å; A659-M663 PolarHBondContact O-N 2.98Å; K661-M663 VanDerWaalsContact C-N 3.34Å; M663-L665 VanDerWaalsContact C-N 3.28Å; M663-L665 PolarHBondContact O-N 3.27Å; M663-R666 PolarHBondContact O-N 2.83Å; M663-R666 HydrophobicContact SD-CB 4.06Å; M663-R667 HydrophobicContact CG-CG 4.33Å; M663-R667 WeakPolarHBondContact O-CB 3.41Å; M663-R667 VanDerWaalsContact O-CG 3.24Å; M663-R667 WeakPolarHBondContact O-CG 3.45Å; M663-R667 PolarHBondContact O-N 3.21Å; M663-R667 HydrophobicContact SD-CG 4.32Å; M663-T679 WeakPolarHBondContact CE-O 3.42Å; M663-T679 HydrophobicContact SD-CG2 3.96Å |
| 664 | K | 91.8 | Very high | 86.9 | Confident | 88 Ų | 88 | 39.4 Ų | 39.4 | 38% | 0.383 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.2 | -45.7 | 167.7 | -73.5 | 178 | 174.1 | -177.9 | 0 | 111.1 | L642 E646 T660 K661 V662 R667 I668 | L642-K664 HydrophobicContact CD1-CB 3.84Å; L642-K664 HydrophobicContact CD1-CD 3.57Å; L642-K664 HydrophobicContact CD1-CG 4.4Å; L642-K664 HydrophobicContact CD2-CB 3.79Å; E646-K664 IonicContact OE1-NZ 3.53Å; E646-K664 PolarHBondContact OE1-NZ 2.71Å; E646-K664 IonicContact OE2-NZ 3.48Å; E646-K664 PolarHBondContact OE2-NZ 3.27Å; T660-K664 PolarHBondContact O-N 3.05Å; T660-K664 VanDerWaalsContact O-N 3.1Å; K661-K664 WeakPolarHBondContact O-CB 3.32Å; K661-K664 PolarHBondContact O-N 3.34Å; V662-K664 PolarHBondContact O-N 3.21Å; K664-R667 PolarHBondContact O-N 3.27Å; K664-I668 WeakPolarHBondContact O-CG1 3.37Å; K664-I668 PolarHBondContact O-N 3.32Å; K664-I668 VanDerWaalsContact O-N 3.14Å |
| 665 | L | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 179.9 | -178.1 | 59.5 | 0 | 0 | 0 | 111.3 | L606 L610 T639 L642 L643 I647 K661 V662 M663 R667 I668 L669 F688 L692 | L606-L665 HydrophobicContact CD1-CD2 4.25Å; L606-L665 HydrophobicContact CD1-CG 4.5Å; L606-L665 HydrophobicContact CD2-CD2 4.42Å; L610-L665 HydrophobicContact CD1-CD2 3.96Å; T639-L665 HydrophobicContact CG2-CD1 3.78Å; L642-L665 HydrophobicContact CD2-CB 3.8Å; L642-L665 HydrophobicContact CD2-CD1 4.29Å; L643-L665 HydrophobicContact CD1-CD2 4.46Å; I647-L665 HydrophobicContact CD1-CB 4.39Å; I647-L665 HydrophobicContact CD1-CD2 4.12Å; K661-L665 PolarHBondContact O-N 2.9Å; V662-L665 WeakPolarHBondContact O-CA 3.46Å; V662-L665 WeakPolarHBondContact O-CB 3.27Å; V662-L665 PolarHBondContact O-N 2.62Å; M663-L665 VanDerWaalsContact C-N 3.28Å; M663-L665 PolarHBondContact O-N 3.27Å; L665-R667 VanDerWaalsContact C-N 3.33Å; L665-R667 PolarHBondContact O-N 2.71Å; L665-I668 PolarHBondContact O-N 3.16Å; L665-L669 HydrophobicContact CG-CD1 4.29Å; L665-L669 WeakPolarHBondContact O-CG 3.44Å; L665-L669 PolarHBondContact O-N 3.2Å; L665-F688 HydrophobicContact CD2-CE2 4.47Å; L665-L692 HydrophobicContact CD1-CD1 4.43Å |
| 666 | R | 91.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 175.4 | -65.5 | 177.1 | 81 | -172 | 2.2 | 112.1 | H600 Y601 L606 V662 M663 I668 L669 E670 F678 T679 E681 | H600-R666 PolarHBondContact O-NH1 2.81Å; Y601-R666 PolarHBondContact O-NH1 3.4Å; Y601-R666 PolarHBondContact O-NH2 2.62Å; Y601-R666 VanDerWaalsContact O-NH2 3.12Å; L606-R666 HydrophobicContact CD1-CG 3.66Å; V662-R666 HydrophobicContact CG1-CG 4.28Å; V662-R666 WeakPolarHBondContact O-CG 3.24Å; V662-R666 PolarHBondContact O-N 2.8Å; M663-R666 PolarHBondContact O-N 2.83Å; M663-R666 HydrophobicContact SD-CB 4.06Å; R666-I668 VanDerWaalsContact C-N 3.27Å; R666-I668 PolarHBondContact O-N 2.96Å; R666-L669 PolarHBondContact O-N 3.39Å; R666-E670 WeakPolarHBondContact O-CB 3.46Å; R666-E670 PolarHBondContact O-N 2.79Å; R666-F678 VanDerWaalsContact CZ-O 3.28Å; R666-F678 PolarHBondContact NE-O 3.36Å; R666-F678 PolarHBondContact NH2-O 2.83Å; R666-F678 VanDerWaalsContact NH2-O 3.16Å; R666-T679 HydrophobicContact CB-CG2 4.11Å; R666-E681 PolarHBondContact NH2-O 2.87Å |
| 667 | R | 89.9 | Confident | 83.5 | Confident | 105 Ų | 105 | 40.4 Ų | 40.4 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66 | -20.7 | 172.8 | -71.6 | 171.5 | 179.3 | -176.9 | -0.7 | 114.3 | M663 K664 L665 K671 T679 | M663-R667 HydrophobicContact CG-CG 4.33Å; M663-R667 WeakPolarHBondContact O-CB 3.41Å; M663-R667 VanDerWaalsContact O-CG 3.24Å; M663-R667 WeakPolarHBondContact O-CG 3.45Å; M663-R667 PolarHBondContact O-N 3.21Å; M663-R667 HydrophobicContact SD-CG 4.32Å; K664-R667 PolarHBondContact O-N 3.27Å; L665-R667 VanDerWaalsContact C-N 3.33Å; L665-R667 PolarHBondContact O-N 2.71Å; R667-K671 WeakPolarHBondContact O-CD 3.49Å; R667-K671 VanDerWaalsContact O-CG 3.28Å; R667-K671 WeakPolarHBondContact O-CG 3.43Å; R667-T679 HydrophobicContact CG-CG2 4Å |
| 668 | I | 90.8 | Very high | 83 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -86.4 | -39.6 | 171.8 | -63.1 | 164.3 | 0 | 0 | 0 | 110.4 | Y635 E638 T639 L642 K664 L665 R666 E670 K671 I696 | Y635-I668 HydrophobicContact CG-CG2 4.23Å; E638-I668 HydrophobicContact CG-CD1 3.84Å; T639-I668 WeakPolarHBondContact OG1-CG2 3.41Å; L642-I668 HydrophobicContact CD2-CD1 3.78Å; K664-I668 WeakPolarHBondContact O-CG1 3.37Å; K664-I668 PolarHBondContact O-N 3.32Å; K664-I668 VanDerWaalsContact O-N 3.14Å; L665-I668 PolarHBondContact O-N 3.16Å; R666-I668 VanDerWaalsContact C-N 3.27Å; R666-I668 PolarHBondContact O-N 2.96Å; I668-E670 VanDerWaalsContact C-N 3.34Å; I668-E670 PolarHBondContact O-N 3.24Å; I668-K671 PolarHBondContact O-N 3.25Å; I668-K671 VanDerWaalsContact O-N 3.14Å; I668-I696 HydrophobicContact CG2-CD1 4.46Å |
| 669 | L | 90.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 173.7 | -66.1 | 166.3 | 0 | 0 | 0 | 110.8 | L606 L665 R666 K671 V672 A675 F678 F688 I691 I696 | L606-L669 HydrophobicContact CD1-CD1 4.04Å; L665-L669 HydrophobicContact CG-CD1 4.29Å; L665-L669 WeakPolarHBondContact O-CG 3.44Å; L665-L669 PolarHBondContact O-N 3.2Å; R666-L669 PolarHBondContact O-N 3.39Å; L669-K671 PolarHBondContact O-N 2.82Å; L669-V672 PolarHBondContact O-N 2.89Å; L669-V672 VanDerWaalsContact O-N 3.1Å; L669-A675 WeakPolarHBondContact O-CB 3.28Å; L669-F678 HydrophobicContact CB-CB 4.22Å; L669-F678 HydrophobicContact CB-CD1 3.76Å; L669-F678 HydrophobicContact CB-CE1 4.44Å; L669-F678 HydrophobicContact CB-CG 4.02Å; L669-F678 HydrophobicContact CD1-CD1 3.69Å; L669-F678 HydrophobicContact CD1-CE1 3.99Å; L669-F678 HydrophobicContact CG-CD1 4.3Å; L669-F688 HydrophobicContact CD1-CD2 3.78Å; L669-F688 HydrophobicContact CD1-CE2 3.97Å; L669-F688 HydrophobicContact CD2-CD2 4.48Å; L669-I691 HydrophobicContact CD2-CB 4.2Å; L669-I691 HydrophobicContact CD2-CG2 3.6Å; L669-I696 HydrophobicContact CD2-CD1 3.82Å |
| 670 | E | 87.9 | Confident | 81.9 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.7 | 176.4 | -163.5 | 91.2 | -129.7 | 0 | 0 | 113.9 | R666 I668 V672 A675 S676 G677 F678 T679 | R666-E670 WeakPolarHBondContact O-CB 3.46Å; R666-E670 PolarHBondContact O-N 2.79Å; I668-E670 VanDerWaalsContact C-N 3.34Å; I668-E670 PolarHBondContact O-N 3.24Å; E670-V672 VanDerWaalsContact C-N 3.33Å; E670-A675 WeakPolarHBondContact CA-O 3.46Å; E670-S676 WeakPolarHBondContact OE1-CA 3.35Å; E670-G677 PolarHBondContact OE1-N 3.24Å; E670-F678 HydrophobicContact CB-CB 4.39Å; E670-F678 WeakPolarHBondContact OE2-CA 3.36Å; E670-F678 PolarHBondContact OE2-N 3.44Å; E670-T679 HydrophobicContact CB-CG2 4.24Å; E670-T679 HydrophobicContact CG-CG2 4.43Å; E670-T679 WeakPolarHBondContact OE2-CB 2.96Å; E670-T679 WeakPolarHBondContact OE2-CG2 3.4Å; E670-T679 PolarHBondContact OE2-N 2.76Å; E670-T679 PolarHBondContact OE2-OG1 3.36Å |
| 671 | K | 86 | Confident | 81.8 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.3 | 178.6 | -75.9 | 173.9 | -177.4 | -178 | 0 | 113.8 | Y635 R667 I668 L669 | Y635-K671 HydrophobicContact CE1-CD 4.15Å; Y635-K671 HydrophobicContact CE2-CB 4.08Å; R667-K671 WeakPolarHBondContact O-CD 3.49Å; R667-K671 VanDerWaalsContact O-CG 3.28Å; R667-K671 WeakPolarHBondContact O-CG 3.43Å; I668-K671 PolarHBondContact O-N 3.25Å; I668-K671 VanDerWaalsContact O-N 3.14Å; L669-K671 PolarHBondContact O-N 2.82Å |
| 672 | V | 84.5 | Confident | 81.3 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -94.9 | 127 | -178.7 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | Y635 L669 E670 A674 A675 I691 H695 I696 | Y635-V672 HydrophobicContact CD2-CG2 4.2Å; L669-V672 PolarHBondContact O-N 2.89Å; L669-V672 VanDerWaalsContact O-N 3.1Å; E670-V672 VanDerWaalsContact C-N 3.33Å; V672-A674 PolarHBondContact O-N 3.4Å; V672-A675 PolarHBondContact O-N 3.11Å; V672-I691 HydrophobicContact CB-CG2 4.44Å; V672-I691 HydrophobicContact CG1-CG2 4.35Å; V672-H695 HydrophobicContact CG1-CB 3.98Å; V672-I696 HydrophobicContact CG2-CD1 3.92Å; V672-I696 HydrophobicContact CG2-CG1 3.8Å |
| 673 | E | 50.7 | Low | 81.2 | Confident | 186 Ų | 186 | 51.5 Ų | 51.5 | 87% | 0.869 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 131.8 | -173.2 | -66.7 | -178.5 | 111.1 | 0 | 0 | 112.2 | ||
| 674 | A | 53.3 | Low | 81.3 | Confident | 104 Ų | 104 | 54.3 Ų | 54.3 | 86% | 0.86 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 2 | -175 | 0 | 0 | 0 | 0 | 0 | 118.4 | V672 | V672-A674 PolarHBondContact O-N 3.4Š|
| 675 | A | 58.5 | Low | 81.4 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | trans | -108.6 | 89.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L669 E670 V672 F678 I691 | L669-A675 WeakPolarHBondContact O-CB 3.28Å; E670-A675 WeakPolarHBondContact CA-O 3.46Å; V672-A675 PolarHBondContact O-N 3.11Å; A675-F678 HydrophobicContact CB-CD2 3.79Å; A675-F678 HydrophobicContact CB-CE2 4.1Å; A675-I691 HydrophobicContact CB-CD1 3.66Å | ||
| 676 | S | 68.3 | Low | 81.3 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | trans | -104.2 | 142.5 | 178 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | E670 F678 K683 | E670-S676 WeakPolarHBondContact OE1-CA 3.35Å; S676-F678 VanDerWaalsContact C-N 3.33Å; S676-K683 VanDerWaalsContact O-CE 3.27Å; S676-K683 WeakPolarHBondContact O-CE 3.31Å; S676-K683 PolarHBondContact O-NZ 3.21Å | ||
| 677 | G | 80.6 | Confident | 81.3 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 81.8 | 9.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | E670 T679 S680 E681 | E670-G677 PolarHBondContact OE1-N 3.24Å; G677-T679 PolarHBondContact O-N 3.46Å; G677-S680 PolarHBondContact O-N 2.87Å; G677-E681 WeakPolarHBondContact O-CB 3.39Å; G677-E681 PolarHBondContact O-N 2.95Å |
| 678 | F | 85.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.4 | -178 | -105.4 | -90.4 | 0 | 0 | 0 | 113.9 | Y605 R666 L669 E670 A675 S676 K683 E687 F688 I691 | Y605-F678 HydrophobicContact CE2-CD1 4.41Å; Y605-F678 AromaticContact CE2-CE1 3.97Å; Y605-F678 HydrophobicContact CE2-CE1 3.97Å; Y605-F678 PolarHBondContact OH-O 3.36Å; R666-F678 VanDerWaalsContact CZ-O 3.28Å; R666-F678 PolarHBondContact NE-O 3.36Å; R666-F678 PolarHBondContact NH2-O 2.83Å; R666-F678 VanDerWaalsContact NH2-O 3.16Å; L669-F678 HydrophobicContact CB-CB 4.22Å; L669-F678 HydrophobicContact CB-CD1 3.76Å; L669-F678 HydrophobicContact CB-CE1 4.44Å; L669-F678 HydrophobicContact CB-CG 4.02Å; L669-F678 HydrophobicContact CD1-CD1 3.69Å; L669-F678 HydrophobicContact CD1-CE1 3.99Å; L669-F678 HydrophobicContact CG-CD1 4.3Å; E670-F678 HydrophobicContact CB-CB 4.39Å; E670-F678 WeakPolarHBondContact OE2-CA 3.36Å; E670-F678 PolarHBondContact OE2-N 3.44Å; A675-F678 HydrophobicContact CB-CD2 3.79Å; A675-F678 HydrophobicContact CB-CE2 4.1Å; S676-F678 VanDerWaalsContact C-N 3.33Å; F678-K683 HydrophobicContact CD1-CG 4.49Å; F678-K683 HydrophobicContact CD2-CG 4.38Å; F678-K683 HydrophobicContact CE1-CG 4.26Å; F678-K683 HydrophobicContact CE2-CD 4.46Å; F678-K683 HydrophobicContact CE2-CG 4.14Å; F678-K683 HydrophobicContact CZ-CB 4.31Å; F678-K683 HydrophobicContact CZ-CG 4.06Å; F678-E687 HydrophobicContact CE2-CG 4.01Å; F678-E687 WeakPolarHBondContact CE2-OE1 3.47Å; F678-E687 HydrophobicContact CZ-CB 4.37Å; F678-E687 HydrophobicContact CZ-CG 3.93Å; F678-F688 HydrophobicContact CE1-CB 4.26Å; F678-I691 HydrophobicContact CD2-CD1 4.25Å; F678-I691 HydrophobicContact CE1-CD1 4.36Å; F678-I691 HydrophobicContact CE2-CD1 3.37Å; F678-I691 HydrophobicContact CZ-CD1 3.45Å; F678-I691 VanDerWaalsContact CZ-CD1 3.45Å |
| 679 | T | 82.8 | Confident | 81.7 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -15.9 | 178.7 | 47.2 | 0 | 0 | 0 | 0 | 114.6 | M663 R666 R667 E670 G677 | M663-T679 WeakPolarHBondContact CE-O 3.42Å; M663-T679 HydrophobicContact SD-CG2 3.96Å; R666-T679 HydrophobicContact CB-CG2 4.11Å; R667-T679 HydrophobicContact CG-CG2 4Å; E670-T679 HydrophobicContact CB-CG2 4.24Å; E670-T679 HydrophobicContact CG-CG2 4.43Å; E670-T679 WeakPolarHBondContact OE2-CB 2.96Å; E670-T679 WeakPolarHBondContact OE2-CG2 3.4Å; E670-T679 PolarHBondContact OE2-N 2.76Å; E670-T679 PolarHBondContact OE2-OG1 3.36Å; G677-T679 PolarHBondContact O-N 3.46Å |
| 680 | S | 74.1 | Confident | 81.8 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 44% | 0.441 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | -37.2 | -170.6 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | N602 G677 | N602-S680 PolarHBondContact ND2-O 3.29Å; G677-S680 PolarHBondContact O-N 2.87Å |
| 681 | E | 82.8 | Confident | 82 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -87.5 | 161.5 | -172.1 | -60.9 | 175.2 | 176.7 | 0 | 0 | 112.8 | R666 G677 K683 | R666-E681 PolarHBondContact NH2-O 2.87Å; G677-E681 WeakPolarHBondContact O-CB 3.39Å; G677-E681 PolarHBondContact O-N 2.95Å; E681-K683 HydrophobicContact CB-CD 4.35Å; E681-K683 WeakPolarHBondContact OE2-CE 3.41Å; E681-K683 IonicContact OE2-NZ 3.95Å; E681-K683 PolarHBondContact OE2-NZ 3Å |
| 682 | E | 82.3 | Confident | 82.4 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | trans | -74 | 129.8 | 159.1 | -175.5 | -171.7 | -163.2 | 0 | 0 | 108.1 | N602 K764 S873 | N602-E682 HydrophobicContact CB-CB 4.16Å; E682-K764 IonicContact OE1-NZ 3.37Å; E682-K764 IonicContact OE2-NZ 3.5Å; E682-K764 PolarHBondContact OE2-NZ 3Å; E682-S873 VanDerWaalsContact OE1-C 3.25Å; E682-S873 WeakPolarHBondContact OE1-CA 3.47Å | ||
| 683 | K | 90.1 | Very high | 82.9 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 10% | 0.096 | 25% | 0.252 | C | S | . | . | trans | -121.6 | 163.3 | 175.6 | -57.9 | -58 | -161.1 | 178.2 | 0 | 110.6 | Y605 S676 F678 E681 | Y605-K683 WeakPolarHBondContact CB-O 3.47Å; Y605-K683 HydrophobicContact CD1-CB 4.21Å; Y605-K683 HydrophobicContact CD2-CB 4Å; Y605-K683 HydrophobicContact CE1-CB 3.97Å; Y605-K683 HydrophobicContact CE1-CG 4.2Å; Y605-K683 HydrophobicContact CE2-CB 3.74Å; Y605-K683 HydrophobicContact CE2-CG 4.27Å; Y605-K683 HydrophobicContact CG-CB 4.24Å; S676-K683 VanDerWaalsContact O-CE 3.27Å; S676-K683 WeakPolarHBondContact O-CE 3.31Å; S676-K683 PolarHBondContact O-NZ 3.21Å; F678-K683 HydrophobicContact CD1-CG 4.49Å; F678-K683 HydrophobicContact CD2-CG 4.38Å; F678-K683 HydrophobicContact CE1-CG 4.26Å; F678-K683 HydrophobicContact CE2-CD 4.46Å; F678-K683 HydrophobicContact CE2-CG 4.14Å; F678-K683 HydrophobicContact CZ-CB 4.31Å; F678-K683 HydrophobicContact CZ-CG 4.06Å; E681-K683 HydrophobicContact CB-CD 4.35Å; E681-K683 WeakPolarHBondContact OE2-CE 3.41Å; E681-K683 IonicContact OE2-NZ 3.95Å; E681-K683 PolarHBondContact OE2-NZ 3Å | ||
| 684 | D | 91.3 | Very high | 84.8 | Confident | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | trans | -85 | 142.6 | 175.2 | -73.7 | -51.9 | 0 | 0 | 0 | 112.1 | E686 E687 F688 Y875 Y946 | D684-E686 VanDerWaalsContact C-N 3.26Å; D684-E686 HydrophobicContact CB-CG 3.95Å; D684-E686 PolarHBondContact O-N 2.99Å; D684-E687 WeakPolarHBondContact O-CB 3.37Å; D684-E687 PolarHBondContact O-N 2.81Å; D684-F688 PolarHBondContact O-N 3.18Å; D684-Y875 PolarHBondContact OD1-OH 3.14Å; D684-Y946 PolarHBondContact OD1-OH 2.93Å | ||
| 685 | P | 94.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.8 | -36.6 | 178.5 | -31.8 | 37.4 | 0 | 0 | 0 | 114.8 | E687 F688 L689 L868 Y875 Y946 M947 | P685-E687 PolarHBondContact O-N 3.02Å; P685-F688 PolarHBondContact O-N 2.87Å; P685-L689 WeakPolarHBondContact O-CB 3.22Å; P685-L689 WeakPolarHBondContact O-CG 3.37Å; P685-L689 PolarHBondContact O-N 3.15Å; P685-L868 HydrophobicContact CG-CD2 4.02Å; P685-Y875 VanDerWaalsContact CD-CZ 3.43Å; P685-Y875 WeakPolarHBondContact CD-OH 3.31Å; P685-Y875 HydrophobicContact CG-CD1 4.28Å; P685-Y875 HydrophobicContact CG-CE1 3.89Å; P685-Y875 HydrophobicContact CG-CE2 4.34Å; P685-Y946 HydrophobicContact CB-CE1 4.3Å; P685-Y946 HydrophobicContact CG-CD1 4.38Å; P685-Y946 HydrophobicContact CG-CE1 3.81Å; P685-M947 HydrophobicContact CB-CE 3.88Å; P685-M947 HydrophobicContact CB-SD 4.02Å |
| 686 | E | 92.2 | Very high | 88.2 | Confident | 45 Ų | 45 | 39.4 Ų | 39.4 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -39.9 | 173.1 | 44 | -98.9 | -126.1 | 0 | 0 | 114.3 | D684 L689 N690 F717 Q758 Y946 M947 | D684-E686 VanDerWaalsContact C-N 3.26Å; D684-E686 HydrophobicContact CB-CG 3.95Å; D684-E686 PolarHBondContact O-N 2.99Å; E686-L689 PolarHBondContact O-N 3.12Å; E686-N690 VanDerWaalsContact O-CB 3.31Å; E686-N690 WeakPolarHBondContact O-CB 3.38Å; E686-N690 VanDerWaalsContact O-CG 3.31Å; E686-N690 PolarHBondContact O-N 2.92Å; E686-N690 PolarHBondContact O-ND2 3.18Å; E686-F717 HydrophobicContact CB-CE1 3.79Å; E686-F717 HydrophobicContact CB-CE2 3.93Å; E686-F717 HydrophobicContact CB-CZ 3.33Å; E686-Q758 PolarHBondContact OE1-NE2 2.97Å; E686-Q758 PolarHBondContact OE2-NE2 3.01Å; E686-Y946 PolarHBondContact OE1-OH 2.99Å; E686-Y946 PolarHBondContact OE2-OH 2.96Å; E686-M947 WeakPolarHBondContact OE2-CE 3.14Å |
| 687 | E | 91.5 | Very high | 89.5 | Confident | 69 Ų | 69 | 35.3 Ų | 35.3 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.1 | -48.1 | -179.2 | -167 | -174.5 | 177 | 0 | 0 | 109.3 | F678 D684 P685 L689 N690 I691 | F678-E687 HydrophobicContact CE2-CG 4.01Å; F678-E687 WeakPolarHBondContact CE2-OE1 3.47Å; F678-E687 HydrophobicContact CZ-CB 4.37Å; F678-E687 HydrophobicContact CZ-CG 3.93Å; D684-E687 WeakPolarHBondContact O-CB 3.37Å; D684-E687 PolarHBondContact O-N 2.81Å; P685-E687 PolarHBondContact O-N 3.02Å; E687-L689 PolarHBondContact O-N 2.85Å; E687-N690 PolarHBondContact O-N 2.94Å; E687-I691 HydrophobicContact CG-CD1 4.02Å; E687-I691 WeakPolarHBondContact O-CD1 3.43Å; E687-I691 WeakPolarHBondContact O-CG1 3.19Å; E687-I691 PolarHBondContact O-N 3.07Å |
| 688 | F | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.1 | -49.9 | 172.9 | 166 | -119.8 | 0 | 0 | 0 | 112.6 | Y605 L606 T609 L610 L665 L669 F678 D684 P685 I691 L692 | Y605-F688 HydrophobicContact CD2-CB 4.08Å; Y605-F688 HydrophobicContact CE2-CB 4.12Å; L606-F688 HydrophobicContact CD1-CD2 4.32Å; L606-F688 HydrophobicContact CD1-CE2 3.99Å; L606-F688 HydrophobicContact CG-CD2 4.3Å; L606-F688 HydrophobicContact CG-CE1 4.36Å; L606-F688 HydrophobicContact CG-CE2 3.84Å; L606-F688 HydrophobicContact CG-CZ 3.87Å; T609-F688 HydrophobicContact CG2-CD1 3.95Å; T609-F688 HydrophobicContact CG2-CE1 3.76Å; L610-F688 HydrophobicContact CD2-CE1 4.24Å; L610-F688 HydrophobicContact CD2-CZ 3.79Å; L610-F688 HydrophobicContact CG-CE1 4.34Å; L610-F688 HydrophobicContact CG-CZ 3.97Å; L665-F688 HydrophobicContact CD2-CE2 4.47Å; L669-F688 HydrophobicContact CD1-CD2 3.78Å; L669-F688 HydrophobicContact CD1-CE2 3.97Å; L669-F688 HydrophobicContact CD2-CD2 4.48Å; F678-F688 HydrophobicContact CE1-CB 4.26Å; D684-F688 PolarHBondContact O-N 3.18Å; P685-F688 PolarHBondContact O-N 2.87Å; F688-I691 PolarHBondContact O-N 3.01Å; F688-L692 HydrophobicContact CE1-CD2 4.47Å; F688-L692 HydrophobicContact CE2-CB 4.27Å; F688-L692 HydrophobicContact CE2-CD2 3.84Å; F688-L692 HydrophobicContact CZ-CD2 3.64Å; F688-L692 VanDerWaalsContact O-CB 3.24Å; F688-L692 WeakPolarHBondContact O-CB 3.48Å; F688-L692 PolarHBondContact O-N 2.86Å |
| 689 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -40.2 | -179.5 | -72.4 | 171.7 | 0 | 0 | 0 | 112 | T609 L613 P685 E686 E687 F693 F717 I756 M947 | T609-L689 HydrophobicContact CG2-CD1 4.24Å; T609-L689 HydrophobicContact CG2-CD2 3.77Å; T609-L689 HydrophobicContact CG2-CG 4.07Å; L613-L689 HydrophobicContact CD1-CD2 3.8Å; P685-L689 WeakPolarHBondContact O-CB 3.22Å; P685-L689 WeakPolarHBondContact O-CG 3.37Å; P685-L689 PolarHBondContact O-N 3.15Å; E686-L689 PolarHBondContact O-N 3.12Å; E687-L689 PolarHBondContact O-N 2.85Å; L689-F693 HydrophobicContact CD2-CD2 4.25Å; L689-F693 HydrophobicContact CD2-CE2 3.61Å; L689-F693 HydrophobicContact CD2-CZ 3.76Å; L689-F693 VanDerWaalsContact O-CB 3.23Å; L689-F693 WeakPolarHBondContact O-CB 3.37Å; L689-F693 WeakPolarHBondContact O-CG 3.41Å; L689-F693 PolarHBondContact O-N 3.26Å; L689-F717 HydrophobicContact CD1-CD1 4.48Å; L689-I756 HydrophobicContact CD1-CD1 4.32Å; L689-M947 HydrophobicContact CD1-CE 4.39Å; L689-M947 HydrophobicContact CD1-SD 4.43Å |
| 690 | N | 92.9 | Very high | 90.9 | Very high | 59 Ų | 59 | 46 Ų | 46 | 32% | 0.316 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -47 | 176.5 | -78.2 | -51.3 | 0 | 0 | 0 | 111.8 | E686 E687 H694 H695 F717 | E686-N690 VanDerWaalsContact O-CB 3.31Å; E686-N690 WeakPolarHBondContact O-CB 3.38Å; E686-N690 VanDerWaalsContact O-CG 3.31Å; E686-N690 PolarHBondContact O-N 2.92Å; E686-N690 PolarHBondContact O-ND2 3.18Å; E687-N690 PolarHBondContact O-N 2.94Å; N690-H694 WeakPolarHBondContact O-CA 3.46Å; N690-H694 WeakPolarHBondContact O-CB 3.2Å; N690-H694 PolarHBondContact O-N 3.37Å; N690-H695 PolarHBondContact O-N 3.11Å; N690-F717 WeakPolarHBondContact ND2-CZ 3.4Å |
| 691 | I | 92.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -63.6 | -47.2 | 178.5 | -64.2 | 158.1 | 0 | 0 | 0 | 110.3 | L669 V672 A675 F678 E687 F688 H695 I696 | L669-I691 HydrophobicContact CD2-CB 4.2Å; L669-I691 HydrophobicContact CD2-CG2 3.6Å; V672-I691 HydrophobicContact CB-CG2 4.44Å; V672-I691 HydrophobicContact CG1-CG2 4.35Å; A675-I691 HydrophobicContact CB-CD1 3.66Å; F678-I691 HydrophobicContact CD2-CD1 4.25Å; F678-I691 HydrophobicContact CE1-CD1 4.36Å; F678-I691 HydrophobicContact CE2-CD1 3.37Å; F678-I691 HydrophobicContact CZ-CD1 3.45Å; F678-I691 VanDerWaalsContact CZ-CD1 3.45Å; E687-I691 HydrophobicContact CG-CD1 4.02Å; E687-I691 WeakPolarHBondContact O-CD1 3.43Å; E687-I691 WeakPolarHBondContact O-CG1 3.19Å; E687-I691 PolarHBondContact O-N 3.07Å; F688-I691 PolarHBondContact O-N 3.01Å; I691-H695 WeakPolarHBondContact O-CB 3.33Å; I691-H695 PolarHBondContact O-N 2.8Å; I691-I696 HydrophobicContact CG2-CD1 4.16Å; I691-I696 HydrophobicContact CG2-CG1 4.48Å; I691-I696 PolarHBondContact O-N 3.19Å |
| 692 | L | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -64.9 | -47.6 | -178.5 | -174.8 | 63 | 0 | 0 | 0 | 112.4 | T639 L643 L665 F688 L697 | T639-L692 HydrophobicContact CG2-CD1 3.76Å; L643-L692 HydrophobicContact CD2-CD2 4.35Å; L665-L692 HydrophobicContact CD1-CD1 4.43Å; F688-L692 HydrophobicContact CE1-CD2 4.47Å; F688-L692 HydrophobicContact CE2-CB 4.27Å; F688-L692 HydrophobicContact CE2-CD2 3.84Å; F688-L692 HydrophobicContact CZ-CD2 3.64Å; F688-L692 VanDerWaalsContact O-CB 3.24Å; F688-L692 WeakPolarHBondContact O-CB 3.48Å; F688-L692 PolarHBondContact O-N 2.86Å; L692-L697 HydrophobicContact CD1-CD1 3.67Å; L692-L697 HydrophobicContact CD1-CG 4.12Å; L692-L697 HydrophobicContact CG-CD1 3.87Å; L692-L697 VanDerWaalsContact O-CB 3.27Å; L692-L697 WeakPolarHBondContact O-CB 3.29Å; L692-L697 WeakPolarHBondContact O-CG 3.43Å; L692-L697 PolarHBondContact O-N 3.03Å |
| 693 | F | 94.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -87.8 | -41.8 | -174 | -64.8 | -12.7 | 0 | 0 | 0 | 113.7 | L613 L620 L689 R698 V699 Y716 | L613-F693 HydrophobicContact CD1-CZ 4.04Å; L620-F693 HydrophobicContact CD1-CE1 4.42Å; L620-F693 HydrophobicContact CD1-CE2 3.91Å; L620-F693 HydrophobicContact CD1-CZ 3.49Å; L620-F693 VanDerWaalsContact CD1-CZ 3.49Å; L689-F693 HydrophobicContact CD2-CD2 4.25Å; L689-F693 HydrophobicContact CD2-CE2 3.61Å; L689-F693 HydrophobicContact CD2-CZ 3.76Å; L689-F693 VanDerWaalsContact O-CB 3.23Å; L689-F693 WeakPolarHBondContact O-CB 3.37Å; L689-F693 WeakPolarHBondContact O-CG 3.41Å; L689-F693 PolarHBondContact O-N 3.26Å; F693-R698 CarbonylContact O-C 3.56Å; F693-R698 VanDerWaalsContact O-CA 3.26Å; F693-R698 WeakPolarHBondContact O-CA 3.44Å; F693-R698 PolarHBondContact O-N 2.84Å; F693-V699 HydrophobicContact CB-CB 4.04Å; F693-V699 HydrophobicContact CB-CG2 3.91Å; F693-V699 HydrophobicContact CD1-CG2 3.92Å; F693-V699 HydrophobicContact CG-CB 4.41Å; F693-V699 HydrophobicContact CG-CG2 4.04Å; F693-V699 PolarHBondContact O-N 3Å; F693-Y716 HydrophobicContact CB-CD1 3.96Å; F693-Y716 HydrophobicContact CB-CE1 3.82Å; F693-Y716 HydrophobicContact CB-CE2 4.49Å; F693-Y716 HydrophobicContact CB-CG 4.37Å; F693-Y716 AromaticContact CD2-CD1 3.95Å; F693-Y716 HydrophobicContact CD2-CD1 3.95Å; F693-Y716 HydrophobicContact CD2-CG 4.29Å; F693-Y716 HydrophobicContact CG-CD1 4.45Å |
| 694 | H | 91.3 | Very high | 93.3 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 50% | 0.495 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -81.1 | -55.4 | -177.7 | -162.8 | 68.4 | 0 | 0 | 0 | 111.9 | N690 Y716 | N690-H694 WeakPolarHBondContact O-CA 3.46Å; N690-H694 WeakPolarHBondContact O-CB 3.2Å; N690-H694 PolarHBondContact O-N 3.37Å; H694-Y716 HydrophobicContact CB-CE2 3.79Å; H694-Y716 AromaticContact ND1-CE2 3.86Å; H694-Y716 PolarHBondContact ND1-OH 3.35Å |
| 695 | H | 90.4 | Very high | 93.4 | Very high | 88 Ų | 88 | 36.9 Ų | 36.9 | 41% | 0.407 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -81.4 | -43.9 | -170.1 | -65.4 | -102.9 | 0 | 0 | 0 | 112.4 | V633 V672 N690 I691 | V633-H695 WeakPolarHBondContact CG1-O 3.33Å; V672-H695 HydrophobicContact CG1-CB 3.98Å; N690-H695 PolarHBondContact O-N 3.11Å; I691-H695 WeakPolarHBondContact O-CB 3.33Å; I691-H695 PolarHBondContact O-N 2.8Å |
| 696 | I | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -89.9 | -69.1 | -175.9 | -56.7 | 172.9 | 0 | 0 | 0 | 112.1 | V633 Y636 T639 I668 L669 V672 I691 R698 | V633-I696 HydrophobicContact CG2-CG2 4.39Å; Y636-I696 WeakPolarHBondContact CD2-O 3.31Å; T639-I696 HydrophobicContact CG2-CG2 3.88Å; T639-I696 WeakPolarHBondContact OG1-CG2 3.17Å; I668-I696 HydrophobicContact CG2-CD1 4.46Å; L669-I696 HydrophobicContact CD2-CD1 3.82Å; V672-I696 HydrophobicContact CG2-CD1 3.92Å; V672-I696 HydrophobicContact CG2-CG1 3.8Å; I691-I696 HydrophobicContact CG2-CD1 4.16Å; I691-I696 HydrophobicContact CG2-CG1 4.48Å; I691-I696 PolarHBondContact O-N 3.19Å; I696-R698 VanDerWaalsContact C-N 3.28Å; I696-R698 PolarHBondContact O-N 3.07Å |
| 697 | L | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -82.2 | -5.9 | -168.2 | -61.3 | 176.6 | 0 | 0 | 0 | 113.5 | V623 R626 Y636 T639 Q640 L643 L692 V699 | V623-L697 HydrophobicContact CG1-CB 4.05Å; V623-L697 HydrophobicContact CG1-CD1 3.68Å; V623-L697 HydrophobicContact CG1-CG 4.43Å; R626-L697 PolarHBondContact NH2-O 2.79Å; Y636-L697 HydrophobicContact CD2-CD2 4.18Å; Y636-L697 HydrophobicContact CE2-CB 4.48Å; Y636-L697 HydrophobicContact CE2-CD2 4.13Å; Y636-L697 WeakPolarHBondContact CE2-O 3.27Å; T639-L697 HydrophobicContact CG2-CD2 4.18Å; Q640-L697 HydrophobicContact CB-CD2 4.17Å; L643-L697 HydrophobicContact CD2-CD1 4.18Å; L692-L697 HydrophobicContact CD1-CD1 3.67Å; L692-L697 HydrophobicContact CD1-CG 4.12Å; L692-L697 HydrophobicContact CG-CD1 3.87Å; L692-L697 VanDerWaalsContact O-CB 3.27Å; L692-L697 WeakPolarHBondContact O-CB 3.29Å; L692-L697 WeakPolarHBondContact O-CG 3.43Å; L692-L697 PolarHBondContact O-N 3.03Å; L697-V699 VanDerWaalsContact C-N 3.26Å; L697-V699 HydrophobicContact CB-CG2 3.9Å; L697-V699 PolarHBondContact O-N 2.94Å |
| 698 | R | 92.6 | Very high | 92.3 | Very high | 124 Ų | 124 | 39.5 Ų | 39.5 | 47% | 0.468 | 20% | 0.199 | S | C | . | . | trans | 42.1 | 54.4 | 179.9 | -65.2 | -168.7 | 60.8 | 141.2 | 12.5 | 112.1 | R626 T631 F693 I696 | R626-R698 PolarHBondContact NH2-O 3.12Å; T631-R698 VanDerWaalsContact O-CD 3.27Å; T631-R698 WeakPolarHBondContact O-CD 3.44Å; T631-R698 PolarHBondContact O-NH1 2.72Å; F693-R698 CarbonylContact O-C 3.56Å; F693-R698 VanDerWaalsContact O-CA 3.26Å; F693-R698 WeakPolarHBondContact O-CA 3.44Å; F693-R698 PolarHBondContact O-N 2.84Å; I696-R698 VanDerWaalsContact C-N 3.28Å; I696-R698 PolarHBondContact O-N 3.07Å | ||
| 699 | V | 94.1 | Very high | 91 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 137.3 | 178.3 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | V623 F693 L697 Y716 | V623-V699 HydrophobicContact CB-CG2 4.33Å; V623-V699 HydrophobicContact CG1-CG2 3.58Å; V623-V699 HydrophobicContact CG2-CB 4.41Å; V623-V699 HydrophobicContact CG2-CG1 3.69Å; V623-V699 HydrophobicContact CG2-CG2 3.75Å; F693-V699 HydrophobicContact CB-CB 4.04Å; F693-V699 HydrophobicContact CB-CG2 3.91Å; F693-V699 HydrophobicContact CD1-CG2 3.92Å; F693-V699 HydrophobicContact CG-CB 4.41Å; F693-V699 HydrophobicContact CG-CG2 4.04Å; F693-V699 PolarHBondContact O-N 3Å; L697-V699 VanDerWaalsContact C-N 3.26Å; L697-V699 HydrophobicContact CB-CG2 3.9Å; L697-V699 PolarHBondContact O-N 2.94Å; V699-Y716 HydrophobicContact CB-CE1 4.14Å; V699-Y716 WeakPolarHBondContact O-CE1 3.5Å; V699-Y716 PolarHBondContact O-OH 3.42Å |
| 700 | D | 91.8 | Very high | 90.5 | Very high | 134 Ų | 134 | 48.8 Ų | 48.8 | 72% | 0.717 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -59 | 140.3 | 172.5 | -68.4 | -54.3 | 0 | 0 | 0 | 110 | L702 | D700-L702 PolarHBondContact O-N 3.31Š|
| 701 | P | 94.6 | Very high | 90.3 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 20% | 0.201 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 123.6 | -178.6 | -25.9 | 34.1 | 0 | 0 | 0 | 112 | L703 D714 | P701-L703 VanDerWaalsContact C-N 3.26Å; P701-L703 PolarHBondContact O-N 2.87Å; P701-D714 HydrophobicContact CB-CB 3.7Å; P701-D714 HydrophobicContact CG-CB 3.55Å |
| 702 | L | 94.9 | Very high | 90.3 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -67.2 | -31.3 | -177.1 | -62.4 | 176.2 | 0 | 0 | 0 | 111.8 | L620 D700 C715 Y716 P752 C754 | L620-L702 HydrophobicContact CD2-CD1 4.2Å; L620-L702 HydrophobicContact CD2-CD2 3.81Å; D700-L702 PolarHBondContact O-N 3.31Å; L702-C715 PolarHBondContact N-O 3.1Å; L702-Y716 HydrophobicContact CG-CD1 4.16Å; L702-P752 WeakPolarHBondContact O-CB 3.46Å; L702-C754 HydrophobicContact CD1-CB 4.3Å; L702-C754 HydrophobicContact CD2-CB 4.42Å |
| 703 | L | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.2 | -179.9 | -51.5 | -174.5 | 0 | 0 | 0 | 110.4 | P701 C715 F748 P752 L755 | P701-L703 VanDerWaalsContact C-N 3.26Å; P701-L703 PolarHBondContact O-N 2.87Å; L703-C715 PolarHBondContact N-O 2.8Å; L703-C715 PolarHBondContact O-N 2.96Å; L703-F748 HydrophobicContact CD2-CE1 4.19Å; L703-P752 HydrophobicContact CD2-CB 3.65Å; L703-P752 HydrophobicContact CD2-CG 4.02Å; L703-L755 HydrophobicContact CD1-CD1 3.88Å; L703-L755 HydrophobicContact CD2-CB 4.32Å; L703-L755 HydrophobicContact CD2-CD1 3.64Å; L703-L755 HydrophobicContact CG-CD1 4.44Å |
| 704 | K | 94.5 | Very high | 90.1 | Very high | 55 Ų | 55 | 66.4 Ų | 66.4 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 104.2 | 171.2 | -61.5 | -157.9 | -172.3 | 94.7 | 0 | 109.3 | V712 A749 E750 | K704-V712 HydrophobicContact CB-CG1 3.74Å; K704-V712 HydrophobicContact CD-CG1 4.42Å; K704-V712 HydrophobicContact CG-CG1 4.4Å; K704-A749 HydrophobicContact CB-CB 4.26Å; K704-A749 PolarHBondContact O-N 3.19Å; K704-E750 HydrophobicContact CB-CG 4.25Å; K704-E750 HydrophobicContact CD-CG 4.33Å; K704-E750 WeakPolarHBondContact CD-OE2 3.5Å; K704-E750 HydrophobicContact CG-CG 4.35Å; K704-E750 IonicContact NZ-OE1 3.37Å; K704-E750 PolarHBondContact NZ-OE1 3.18Å; K704-E750 IonicContact NZ-OE2 2.9Å; K704-E750 PolarHBondContact NZ-OE2 3.01Å |
| 705 | L | 93.7 | Very high | 90.3 | Very high | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.6 | -173.6 | -59.6 | 177.7 | 0 | 0 | 0 | 110.5 | V712 Q713 Y718 F741 K747 F748 | L705-V712 CarbonylContact O-C 3.59Å; L705-V712 WeakPolarHBondContact O-CA 3.31Å; L705-Q713 PolarHBondContact N-O 3.34Å; L705-Q713 PolarHBondContact O-N 3.39Å; L705-Y718 HydrophobicContact CD1-CD2 3.64Å; L705-Y718 HydrophobicContact CD1-CE2 4.07Å; L705-F741 HydrophobicContact CD2-CE1 4.16Å; L705-F741 HydrophobicContact CD2-CZ 3.64Å; L705-K747 WeakPolarHBondContact CA-O 3.46Å; L705-F748 HydrophobicContact CD2-CD1 3.55Å; L705-F748 HydrophobicContact CD2-CE1 3.6Å; L705-F748 HydrophobicContact CD2-CG 4.38Å; L705-F748 HydrophobicContact CD2-CZ 4.49Å |
| 706 | R | 90.3 | Very high | 90.5 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 31% | 0.306 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.5 | 171.2 | -150.6 | -165.7 | -48.7 | -127.6 | 4.3 | 110 | Q710 V712 L746 K747 E785 | R706-Q710 WeakPolarHBondContact CD-O 3.35Å; R706-Q710 WeakPolarHBondContact CG-O 3.39Å; R706-V712 HydrophobicContact CG-CG2 4.36Å; R706-L746 CarbonylContact O-C 3.51Å; R706-L746 WeakPolarHBondContact O-CA 3.29Å; R706-K747 PolarHBondContact N-O 3.11Å; R706-K747 PolarHBondContact O-N 3.04Å; R706-E785 VanDerWaalsContact CD-OE1 3.23Å; R706-E785 WeakPolarHBondContact CD-OE1 3.08Å; R706-E785 IonicContact CZ-OE1 2.79Å; R706-E785 IonicContact CZ-OE2 3.09Å; R706-E785 IonicContact NE-OE1 2.71Å; R706-E785 PolarHBondContact NE-OE1 2.67Å; R706-E785 IonicContact NE-OE2 2.88Å; R706-E785 PolarHBondContact NE-OE2 2.88Å; R706-E785 IonicContact NH2-OE1 3.16Å; R706-E785 IonicContact NH2-OE2 3.56Å; R706-E785 PolarHBondContact NH2-OE2 3.44Å |
| 707 | S | 88 | Confident | 90.7 | Very high | 20 Ų | 20 | 60.9 Ų | 60.9 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 149.6 | 162.7 | -174 | 0 | 0 | 0 | 0 | 109.4 | G709 Q710 S744 D745 | S707-G709 PolarHBondContact O-N 2.7Å; S707-G709 VanDerWaalsContact O-N 3.08Å; S707-Q710 WeakPolarHBondContact O-CB 3.4Å; S707-Q710 PolarHBondContact O-N 2.95Å; S707-S744 PolarHBondContact OG-O 3.02Å; S707-D745 WeakPolarHBondContact CA-O 3.46Å |
| 708 | A | 75.6 | Confident | 90.8 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 55% | 0.554 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 114.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q710 D745 | A708-Q710 VanDerWaalsContact C-N 3.26Å; A708-Q710 PolarHBondContact O-N 3.23Å; A708-D745 WeakPolarHBondContact CB-OD2 3.43Å; A708-D745 PolarHBondContact N-O 2.82Å |
| 709 | G | 68.3 | Low | 90.9 | Very high | 87 Ų | 87 | 59 Ų | 59 | 90% | 0.897 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 0.8 | -180 | 0 | 0 | 0 | 0 | 0 | 116 | S707 | S707-G709 PolarHBondContact O-N 2.7Å; S707-G709 VanDerWaalsContact O-N 3.08Å |
| 710 | Q | 83.2 | Confident | 90.9 | Very high | 109 Ų | 109 | 58.3 Ų | 58.3 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -88.1 | 175.6 | 175.6 | -57.9 | -163.8 | 6.1 | 0 | 0 | 112.3 | R706 S707 A708 | R706-Q710 WeakPolarHBondContact CD-O 3.35Å; R706-Q710 WeakPolarHBondContact CG-O 3.39Å; S707-Q710 WeakPolarHBondContact O-CB 3.4Å; S707-Q710 PolarHBondContact O-N 2.95Å; A708-Q710 VanDerWaalsContact C-N 3.26Å; A708-Q710 PolarHBondContact O-N 3.23Å |
| 711 | K | 88.9 | Confident | 90.6 | Very high | 184 Ų | 184 | 57.5 Ų | 57.5 | 80% | 0.8 | 31% | 0.309 | S | S | * | . | trans | -71.3 | 156.8 | 166.9 | -67.2 | -176.7 | 179.6 | 179.4 | 0 | 110.2 | ||||
| 712 | V | 91.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 138.8 | 166.3 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | K704 L705 R706 A749 | K704-V712 HydrophobicContact CB-CG1 3.74Å; K704-V712 HydrophobicContact CD-CG1 4.42Å; K704-V712 HydrophobicContact CG-CG1 4.4Å; L705-V712 CarbonylContact O-C 3.59Å; L705-V712 WeakPolarHBondContact O-CA 3.31Å; R706-V712 HydrophobicContact CG-CG2 4.36Å; V712-A749 HydrophobicContact CG2-CB 4.03Å |
| 713 | Q | 92.1 | Very high | 89.5 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.7 | 172.4 | -58.1 | -176 | 17.8 | 0 | 0 | 108.2 | L705 | L705-Q713 PolarHBondContact N-O 3.34Å; L705-Q713 PolarHBondContact O-N 3.39Å |
| 714 | D | 94.1 | Very high | 88.6 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.7 | -171.3 | -73.7 | -24.6 | 0 | 0 | 0 | 109.7 | P701 | P701-D714 HydrophobicContact CB-CB 3.7Å; P701-D714 HydrophobicContact CG-CB 3.55Å |
| 715 | C | 94.4 | Very high | 87.7 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 24% | 0.243 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 169.4 | 174.2 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | L702 L703 F717 | L702-C715 PolarHBondContact N-O 3.1Å; L703-C715 PolarHBondContact N-O 2.8Å; L703-C715 PolarHBondContact O-N 2.96Å; C715-F717 PolarHBondContact SG-O 3.43Å |
| 716 | Y | 95.6 | Very high | 86.4 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 5% | 0.051 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -97.5 | -19 | 179.6 | -60.7 | -76.3 | 0 | 0 | 0 | 113.5 | F693 H694 V699 L702 | F693-Y716 HydrophobicContact CB-CD1 3.96Å; F693-Y716 HydrophobicContact CB-CE1 3.82Å; F693-Y716 HydrophobicContact CB-CE2 4.49Å; F693-Y716 HydrophobicContact CB-CG 4.37Å; F693-Y716 AromaticContact CD2-CD1 3.95Å; F693-Y716 HydrophobicContact CD2-CD1 3.95Å; F693-Y716 HydrophobicContact CD2-CG 4.29Å; F693-Y716 HydrophobicContact CG-CD1 4.45Å; H694-Y716 HydrophobicContact CB-CE2 3.79Å; H694-Y716 AromaticContact ND1-CE2 3.86Å; H694-Y716 PolarHBondContact ND1-OH 3.35Å; V699-Y716 HydrophobicContact CB-CE1 4.14Å; V699-Y716 WeakPolarHBondContact O-CE1 3.5Å; V699-Y716 PolarHBondContact O-OH 3.42Å; L702-Y716 HydrophobicContact CG-CD1 4.16Å |
| 717 | F | 96.3 | Very high | 85.5 | Confident | 30 Ų | 30 | 79.6 Ų | 79.6 | 13% | 0.132 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -153.2 | 164.8 | -177.3 | 52.3 | -98.4 | 0 | 0 | 0 | 109.9 | E686 L689 N690 C715 I756 Q758 | E686-F717 HydrophobicContact CB-CE1 3.79Å; E686-F717 HydrophobicContact CB-CE2 3.93Å; E686-F717 HydrophobicContact CB-CZ 3.33Å; L689-F717 HydrophobicContact CD1-CD1 4.48Å; N690-F717 WeakPolarHBondContact ND2-CZ 3.4Å; C715-F717 PolarHBondContact SG-O 3.43Å; F717-I756 CarbonylContact C-O 3.47Å; F717-I756 VanDerWaalsContact CA-O 3.29Å; F717-I756 WeakPolarHBondContact CA-O 3.32Å; F717-I756 HydrophobicContact CB-CB 3.78Å; F717-I756 HydrophobicContact CB-CG2 3.77Å; F717-Q758 HydrophobicContact CD2-CG 4.29Å; F717-Q758 VanDerWaalsContact CE2-OE1 3.31Å |
| 718 | Y | 96.8 | Very high | 85 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 7% | 0.067 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.2 | -178.9 | -178.7 | -109.2 | 0 | 0 | 0 | 112.2 | L705 I720 I737 S740 F741 L746 I756 I757 Q758 | L705-Y718 HydrophobicContact CD1-CD2 3.64Å; L705-Y718 HydrophobicContact CD1-CE2 4.07Å; Y718-I720 HydrophobicContact CD1-CD1 4.15Å; Y718-I720 HydrophobicContact CE1-CD1 3.96Å; Y718-I737 HydrophobicContact CD1-CG1 4.47Å; Y718-I737 HydrophobicContact CE1-CG1 4.37Å; Y718-S740 WeakPolarHBondContact CE1-OG 3.44Å; Y718-S740 WeakPolarHBondContact OH-CB 3.09Å; Y718-S740 PolarHBondContact OH-OG 3.26Å; Y718-F741 AromaticContact CD1-CE2 3.88Å; Y718-F741 HydrophobicContact CD1-CE2 3.88Å; Y718-F741 HydrophobicContact CD2-CE2 4.32Å; Y718-F741 AromaticContact CE1-CD2 3.73Å; Y718-F741 HydrophobicContact CE1-CD2 3.73Å; Y718-F741 AromaticContact CE1-CE2 3.5Å; Y718-F741 HydrophobicContact CE1-CE2 3.5Å; Y718-F741 HydrophobicContact CE2-CD2 4.47Å; Y718-F741 AromaticContact CE2-CE2 3.99Å; Y718-F741 HydrophobicContact CE2-CE2 3.99Å; Y718-F741 HydrophobicContact CG-CE2 4.27Å; Y718-F741 AromaticContact CZ-CD2 3.7Å; Y718-F741 AromaticContact CZ-CE2 3.56Å; Y718-L746 HydrophobicContact CE2-CD1 3.75Å; Y718-I756 PolarHBondContact N-O 3.4Å; Y718-I757 CarbonylContact O-C 3.53Å; Y718-I757 WeakPolarHBondContact O-CA 3.41Å; Y718-Q758 PolarHBondContact O-N 2.68Å |
| 719 | Q | 95.3 | Very high | 85.4 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.9 | 171.9 | 179 | 57.3 | 61.1 | 0 | 0 | 110.8 | F721 M759 | Q719-F721 PolarHBondContact O-N 2.73Å; Q719-M759 PolarHBondContact NE2-O 2.81Å |
| 720 | I | 93.8 | Very high | 86.5 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | trans | -65.8 | 122.2 | 167.9 | -62.7 | -56.9 | 0 | 0 | 0 | 109.4 | Y718 M722 L736 I737 I757 Q758 P760 | Y718-I720 HydrophobicContact CD1-CD1 4.15Å; Y718-I720 HydrophobicContact CE1-CD1 3.96Å; I720-M722 HydrophobicContact CG2-CG 3.96Å; I720-L736 HydrophobicContact CD1-CB 4.11Å; I720-L736 HydrophobicContact CG1-CB 4.21Å; I720-L736 HydrophobicContact CG2-CB 4.18Å; I720-L736 HydrophobicContact CG2-CD2 4.38Å; I720-I737 HydrophobicContact CD1-CB 4.18Å; I720-I757 HydrophobicContact CD1-CG2 3.65Å; I720-I757 HydrophobicContact CG1-CG2 3.68Å; I720-Q758 WeakPolarHBondContact CG1-O 3.26Å; I720-Q758 PolarHBondContact N-O 2.85Å; I720-P760 HydrophobicContact CB-CB 4.42Å; I720-P760 HydrophobicContact CG2-CB 4.07Å; I720-P760 HydrophobicContact CG2-CG 4.06Å | ||
| 721 | F | 85.9 | Confident | 87 | Confident | 118 Ų | 118 | 70.1 Ų | 70.1 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | trans | -132.9 | 104.1 | 177.2 | -169.8 | -88.3 | 0 | 0 | 0 | 111.2 | Q719 S740 N743 | Q719-F721 PolarHBondContact O-N 2.73Å; F721-S740 PolarHBondContact N-OG 2.74Å; F721-S740 PolarHBondContact O-OG 2.88Å; F721-N743 PolarHBondContact O-ND2 2.9Å | ||
| 722 | M | 84.8 | Confident | 87.3 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.049 | 32% | 0.315 | C | S | . | . | trans | -155.1 | 153.7 | -176.2 | 58.2 | 92.7 | 55.8 | 0 | 0 | 111.8 | I720 K725 L736 W739 M768 F769 | I720-M722 HydrophobicContact CG2-CG 3.96Å; M722-K725 HydrophobicContact CE-CD 3.99Å; M722-K725 HydrophobicContact CE-CG 3.93Å; M722-L736 HydrophobicContact SD-CD2 4.5Å; M722-W739 HydrophobicContact CE-CB 3.87Å; M722-W739 HydrophobicContact CE-CD2 3.87Å; M722-W739 HydrophobicContact CE-CE3 3.33Å; M722-W739 HydrophobicContact CE-CG 4.13Å; M722-W739 HydrophobicContact CE-CZ3 4.13Å; M722-W739 HydrophobicContact SD-CE3 4.44Å; M722-M768 VanDerWaalsContact O-CE 3.28Å; M722-M768 WeakPolarHBondContact O-CE 3.48Å; M722-M768 HydrophobicContact SD-SD 3.78Å; M722-F769 HydrophobicContact SD-CE2 4.32Å; M722-F769 HydrophobicContact SD-CZ 4.23Å | ||
| 723 | D | 81.4 | Confident | 87.5 | Confident | 124 Ų | 124 | 59.9 Ų | 59.9 | 66% | 0.663 | 30% | 0.3 | S | S | * | . | trans | -73.5 | 136 | 172.9 | -60 | -56.5 | 0 | 0 | 0 | 110.5 | K725 | D723-K725 PolarHBondContact O-N 2.79Š| ||
| 724 | K | 75.9 | Confident | 87.7 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 45% | 0.452 | 28% | 0.284 | S | S | . | . | trans | -60 | 126.7 | -177 | -179.4 | 169.7 | 176.6 | 157.2 | 0 | 111.1 | M768 F769 | K724-M768 HydrophobicContact CB-CG 4.15Å; K724-M768 HydrophobicContact CB-SD 4.23Å; K724-M768 HydrophobicContact CD-CG 4.18Å; K724-M768 WeakPolarHBondContact CE-O 3.43Å; K724-M768 HydrophobicContact CG-CG 4.23Å; K724-M768 PolarHBondContact NZ-O 2.73Å; K724-F769 HydrophobicContact CG-CE1 4.48Å | ||
| 725 | K | 76.3 | Confident | 87.6 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 30% | 0.3 | 27% | 0.273 | S | S | . | . | trans | -97.7 | 93.6 | 177.7 | -66.7 | -177.3 | -179.6 | -178.1 | 0 | 110.3 | M722 D723 K727 V728 W739 | M722-K725 HydrophobicContact CE-CD 3.99Å; M722-K725 HydrophobicContact CE-CG 3.93Å; D723-K725 PolarHBondContact O-N 2.79Å; K725-K727 PolarHBondContact O-N 2.83Å; K725-V728 PolarHBondContact O-N 2.94Å; K725-W739 HydrophobicContact CD-CD2 3.99Å; K725-W739 HydrophobicContact CD-CE3 4.29Å; K725-W739 HydrophobicContact CD-CG 4.44Å; K725-W739 HydrophobicContact CD-CH2 4.49Å; K725-W739 HydrophobicContact CD-CZ2 4.24Å; K725-W739 VanDerWaalsContact NZ-CG 3.33Å | ||
| 726 | D | 66.6 | Low | 87.6 | Confident | 141 Ų | 141 | 52.9 Ų | 52.9 | 75% | 0.754 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15.8 | -174.5 | -57.4 | -47.9 | 0 | 0 | 0 | 115.2 | V728 | D726-V728 VanDerWaalsContact C-N 3.31Å; D726-V728 PolarHBondContact O-N 3.09Å |
| 727 | K | 69.6 | Low | 87.5 | Confident | 209 Ų | 209 | 52.3 Ų | 52.3 | 91% | 0.909 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -3.4 | 176.4 | -62.7 | -175.2 | -179.8 | 179 | 0 | 114.6 | K725 | K725-K727 PolarHBondContact O-N 2.83Š|
| 728 | V | 78.4 | Confident | 87.3 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | trans | -121.4 | 112.6 | -179.2 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | K725 D726 P731 W739 | K725-V728 PolarHBondContact O-N 2.94Å; D726-V728 VanDerWaalsContact C-N 3.31Å; D726-V728 PolarHBondContact O-N 3.09Å; V728-P731 HydrophobicContact CG1-CB 4.22Å; V728-W739 HydrophobicContact CB-CH2 4.22Å; V728-W739 HydrophobicContact CG1-CH2 4.15Å; V728-W739 HydrophobicContact CG2-CH2 3.9Å; V728-W739 HydrophobicContact CG2-CZ2 4.34Å | ||
| 729 | G | 83.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 52 Ų | 52 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -75.5 | -36.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H927 | G729-H927 VanDerWaalsContact C-ND1 3.34Å; G729-H927 WeakPolarHBondContact CA-CE1 3.42Å; G729-H927 VanDerWaalsContact CA-ND1 3.35Å; G729-H927 WeakPolarHBondContact CA-ND1 3.44Å; G729-H927 PolarHBondContact O-ND1 2.82Å |
| 730 | V | 91.9 | Very high | 87 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -139.3 | 109.7 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | K771 F773 P923 H927 | V730-K771 HydrophobicContact CG1-CB 4.15Å; V730-K771 HydrophobicContact CG2-CB 3.96Å; V730-K771 HydrophobicContact CG2-CD 4.42Å; V730-K771 HydrophobicContact CG2-CG 4.39Å; V730-F773 HydrophobicContact CG1-CB 4.25Å; V730-P923 HydrophobicContact CB-CB 4.29Å; V730-P923 HydrophobicContact CG1-CB 4.38Å; V730-P923 WeakPolarHBondContact O-CB 3.17Å; V730-H927 HydrophobicContact CG2-CB 3.76Å |
| 731 | P | 94.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -84.6 | 151.2 | 178.3 | 34.7 | -35.7 | 0 | 0 | 0 | 111.4 | V728 L736 W739 F769 I772 F773 | V728-P731 HydrophobicContact CG1-CB 4.22Å; P731-L736 HydrophobicContact CB-CD2 3.95Å; P731-L736 HydrophobicContact CB-CG 4.09Å; P731-L736 HydrophobicContact CG-CD1 4.29Å; P731-L736 HydrophobicContact CG-CD2 3.89Å; P731-L736 HydrophobicContact CG-CG 4.17Å; P731-W739 HydrophobicContact CB-CH2 4.23Å; P731-W739 HydrophobicContact CB-CZ3 3.83Å; P731-F769 HydrophobicContact CG-CB 4.26Å; P731-F769 HydrophobicContact CG-CD1 3.73Å; P731-F769 HydrophobicContact CG-CD2 3.73Å; P731-F769 HydrophobicContact CG-CE1 3.92Å; P731-F769 HydrophobicContact CG-CE2 3.92Å; P731-F769 HydrophobicContact CG-CG 3.63Å; P731-F769 HydrophobicContact CG-CZ 4.02Å; P731-I772 HydrophobicContact CG-CG1 4.5Å; P731-F773 PolarHBondContact O-N 3.37Å | ||
| 732 | T | 95.2 | Very high | 87.1 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 13% | 0.129 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -84.8 | 154.3 | 168.9 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | Q734 Q735 L736 F773 P923 | T732-Q734 PolarHBondContact O-N 2.92Å; T732-Q735 WeakPolarHBondContact O-CB 3.46Å; T732-Q735 PolarHBondContact O-N 3.49Å; T732-Q735 WeakPolarHBondContact OG1-CG 3.5Å; T732-Q735 PolarHBondContact OG1-N 3Å; T732-Q735 VanDerWaalsContact OG1-N 3.15Å; T732-L736 WeakPolarHBondContact O-CG 3.47Å; T732-L736 PolarHBondContact O-N 2.85Å; T732-F773 CarbonylContact C-O 3.48Å; T732-F773 VanDerWaalsContact CA-O 3.32Å; T732-F773 WeakPolarHBondContact CA-O 3.45Å; T732-F773 HydrophobicContact CG2-CB 4.14Å; T732-F773 HydrophobicContact CG2-CD1 3.96Å; T732-F773 HydrophobicContact CG2-CG 4.3Å; T732-P923 HydrophobicContact CG2-CG 3.8Å |
| 733 | S | 95.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -33 | 173.2 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | L736 I737 F773 S775 Y950 | S733-L736 PolarHBondContact O-N 3.44Å; S733-I737 WeakPolarHBondContact O-CG2 3.36Å; S733-I737 PolarHBondContact O-N 2.57Å; S733-F773 PolarHBondContact N-O 2.83Å; S733-S775 PolarHBondContact N-OG 2.85Å; S733-S775 VanDerWaalsContact OG-CB 3.26Å; S733-S775 WeakPolarHBondContact OG-CB 3.48Å; S733-S775 PolarHBondContact OG-N 3.17Å; S733-S775 PolarHBondContact OG-OG 2.88Å; S733-Y950 VanDerWaalsContact CB-OH 3.22Å; S733-Y950 WeakPolarHBondContact CB-OH 3.41Å; S733-Y950 PolarHBondContact OG-OH 2.67Å |
| 734 | Q | 95.3 | Very high | 87.6 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 16% | 0.164 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 172.2 | -179.5 | 72 | 35.8 | 0 | 0 | 111.5 | T732 I737 E738 S775 L778 D779 | T732-Q734 PolarHBondContact O-N 2.92Å; Q734-I737 WeakPolarHBondContact O-CG2 3.47Å; Q734-E738 PolarHBondContact NE2-OE1 3.16Å; Q734-E738 WeakPolarHBondContact O-CB 3.49Å; Q734-E738 WeakPolarHBondContact O-CG 3.42Å; Q734-E738 PolarHBondContact O-N 2.89Å; Q734-S775 PolarHBondContact N-OG 3.17Å; Q734-L778 HydrophobicContact CB-CD2 3.83Å; Q734-L778 VanDerWaalsContact OE1-CD2 3.29Å; Q734-D779 PolarHBondContact NE2-O 3.09Å |
| 735 | Q | 92.3 | Very high | 88.2 | Confident | 63 Ų | 63 | 41.6 Ų | 41.6 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64 | -41.7 | 176.7 | -73 | 167 | -18.3 | 0 | 0 | 111.6 | T732 E738 W739 | T732-Q735 WeakPolarHBondContact O-CB 3.46Å; T732-Q735 PolarHBondContact O-N 3.49Å; T732-Q735 WeakPolarHBondContact OG1-CG 3.5Å; T732-Q735 PolarHBondContact OG1-N 3Å; T732-Q735 VanDerWaalsContact OG1-N 3.15Å; Q735-E738 PolarHBondContact O-N 2.84Å; Q735-W739 HydrophobicContact CB-CD2 4.31Å; Q735-W739 HydrophobicContact CB-CE3 4.23Å; Q735-W739 HydrophobicContact CB-CH2 3.76Å; Q735-W739 HydrophobicContact CB-CZ2 3.8Å; Q735-W739 HydrophobicContact CB-CZ3 3.98Å; Q735-W739 HydrophobicContact CG-CH2 4.33Å; Q735-W739 HydrophobicContact CG-CZ2 4.12Å; Q735-W739 WeakPolarHBondContact O-CB 3.39Å; Q735-W739 PolarHBondContact O-N 2.86Å |
| 736 | L | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -49.1 | 178.4 | -69.4 | 177.3 | 0 | 0 | 0 | 111.9 | I720 M722 P731 T732 S733 W739 S740 M759 P760 F769 I772 | I720-L736 HydrophobicContact CD1-CB 4.11Å; I720-L736 HydrophobicContact CG1-CB 4.21Å; I720-L736 HydrophobicContact CG2-CB 4.18Å; I720-L736 HydrophobicContact CG2-CD2 4.38Å; M722-L736 HydrophobicContact SD-CD2 4.5Å; P731-L736 HydrophobicContact CB-CD2 3.95Å; P731-L736 HydrophobicContact CB-CG 4.09Å; P731-L736 HydrophobicContact CG-CD1 4.29Å; P731-L736 HydrophobicContact CG-CD2 3.89Å; P731-L736 HydrophobicContact CG-CG 4.17Å; T732-L736 WeakPolarHBondContact O-CG 3.47Å; T732-L736 PolarHBondContact O-N 2.85Å; S733-L736 PolarHBondContact O-N 3.44Å; L736-W739 HydrophobicContact CD2-CE3 4.25Å; L736-W739 HydrophobicContact CD2-CZ3 4.31Å; L736-W739 PolarHBondContact O-N 3.48Å; L736-S740 VanDerWaalsContact O-CB 3.25Å; L736-S740 WeakPolarHBondContact O-CB 3.04Å; L736-S740 PolarHBondContact O-N 2.99Å; L736-M759 HydrophobicContact CD1-SD 4.29Å; L736-P760 HydrophobicContact CD1-CG 4.41Å; L736-P760 HydrophobicContact CD2-CG 4.36Å; L736-F769 HydrophobicContact CD2-CD2 4.39Å; L736-F769 HydrophobicContact CD2-CE2 3.75Å; L736-F769 HydrophobicContact CD2-CZ 4.35Å; L736-I772 HydrophobicContact CD1-CD1 4.1Å; L736-I772 HydrophobicContact CD1-CG1 4.43Å; L736-I772 HydrophobicContact CD1-CG2 3.75Å |
| 737 | I | 95 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 178.6 | -167.4 | 174 | 0 | 0 | 0 | 111.7 | Y718 I720 S733 Q734 W739 S740 F741 F748 L755 I757 L778 L783 | Y718-I737 HydrophobicContact CD1-CG1 4.47Å; Y718-I737 HydrophobicContact CE1-CG1 4.37Å; I720-I737 HydrophobicContact CD1-CB 4.18Å; S733-I737 WeakPolarHBondContact O-CG2 3.36Å; S733-I737 PolarHBondContact O-N 2.57Å; Q734-I737 WeakPolarHBondContact O-CG2 3.47Å; I737-W739 PolarHBondContact O-N 3.02Å; I737-S740 PolarHBondContact O-N 2.82Å; I737-F741 HydrophobicContact CD1-CD2 4.36Å; I737-F741 HydrophobicContact CD1-CE2 3.87Å; I737-F741 HydrophobicContact CD1-CZ 4.35Å; I737-F741 HydrophobicContact CG1-CD2 3.63Å; I737-F741 HydrophobicContact CG1-CE2 3.62Å; I737-F741 HydrophobicContact CG1-CG 4.5Å; I737-F741 HydrophobicContact CG1-CZ 4.48Å; I737-F741 WeakPolarHBondContact O-CB 3.39Å; I737-F741 WeakPolarHBondContact O-CD2 3.42Å; I737-F741 PolarHBondContact O-N 3.27Å; I737-F748 HydrophobicContact CD1-CE2 4.2Å; I737-F748 HydrophobicContact CD1-CZ 4.07Å; I737-L755 HydrophobicContact CD1-CD2 4.2Å; I737-I757 HydrophobicContact CB-CD1 4.48Å; I737-I757 HydrophobicContact CD1-CD1 3.94Å; I737-L778 HydrophobicContact CG2-CD2 4.36Å; I737-L783 HydrophobicContact CD1-CD1 4.17Å; I737-L783 HydrophobicContact CG1-CD1 4.09Å; I737-L783 HydrophobicContact CG2-CD1 4.15Å |
| 738 | E | 92.2 | Very high | 91.3 | Very high | 21 Ų | 21 | 24.2 Ų | 24.2 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.3 | -51 | 173.8 | -80.7 | -176.8 | -144.5 | 0 | 0 | 111.5 | Q734 Q735 S740 F741 I742 L783 I816 | Q734-E738 PolarHBondContact NE2-OE1 3.16Å; Q734-E738 WeakPolarHBondContact O-CB 3.49Å; Q734-E738 WeakPolarHBondContact O-CG 3.42Å; Q734-E738 PolarHBondContact O-N 2.89Å; Q735-E738 PolarHBondContact O-N 2.84Å; E738-S740 VanDerWaalsContact C-N 3.34Å; E738-S740 PolarHBondContact O-N 2.79Å; E738-F741 PolarHBondContact O-N 3.26Å; E738-I742 HydrophobicContact CB-CD1 4.46Å; E738-I742 VanDerWaalsContact O-CB 3.28Å; E738-I742 WeakPolarHBondContact O-CB 3.37Å; E738-I742 VanDerWaalsContact O-CD1 3.3Å; E738-I742 WeakPolarHBondContact O-CD1 3.39Å; E738-I742 WeakPolarHBondContact O-CG1 3.24Å; E738-I742 PolarHBondContact O-N 2.91Å; E738-L783 HydrophobicContact CG-CD2 4.45Å; E738-I816 HydrophobicContact CG-CD1 4.39Å |
| 739 | W | 91.2 | Very high | 92 | Very high | 19 Ų | 19 | 23.4 Ų | 23.4 | 7% | 0.072 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | -179.9 | -64.2 | -22.4 | 0 | 0 | 0 | 112.7 | M722 K725 V728 P731 Q735 L736 I737 N743 Y806 | M722-W739 HydrophobicContact CE-CB 3.87Å; M722-W739 HydrophobicContact CE-CD2 3.87Å; M722-W739 HydrophobicContact CE-CE3 3.33Å; M722-W739 HydrophobicContact CE-CG 4.13Å; M722-W739 HydrophobicContact CE-CZ3 4.13Å; M722-W739 HydrophobicContact SD-CE3 4.44Å; K725-W739 HydrophobicContact CD-CD2 3.99Å; K725-W739 HydrophobicContact CD-CE3 4.29Å; K725-W739 HydrophobicContact CD-CG 4.44Å; K725-W739 HydrophobicContact CD-CH2 4.49Å; K725-W739 HydrophobicContact CD-CZ2 4.24Å; K725-W739 VanDerWaalsContact NZ-CG 3.33Å; V728-W739 HydrophobicContact CB-CH2 4.22Å; V728-W739 HydrophobicContact CG1-CH2 4.15Å; V728-W739 HydrophobicContact CG2-CH2 3.9Å; V728-W739 HydrophobicContact CG2-CZ2 4.34Å; P731-W739 HydrophobicContact CB-CH2 4.23Å; P731-W739 HydrophobicContact CB-CZ3 3.83Å; Q735-W739 HydrophobicContact CB-CD2 4.31Å; Q735-W739 HydrophobicContact CB-CE3 4.23Å; Q735-W739 HydrophobicContact CB-CH2 3.76Å; Q735-W739 HydrophobicContact CB-CZ2 3.8Å; Q735-W739 HydrophobicContact CB-CZ3 3.98Å; Q735-W739 HydrophobicContact CG-CH2 4.33Å; Q735-W739 HydrophobicContact CG-CZ2 4.12Å; Q735-W739 WeakPolarHBondContact O-CB 3.39Å; Q735-W739 PolarHBondContact O-N 2.86Å; L736-W739 HydrophobicContact CD2-CE3 4.25Å; L736-W739 HydrophobicContact CD2-CZ3 4.31Å; L736-W739 PolarHBondContact O-N 3.48Å; I737-W739 PolarHBondContact O-N 3.02Å; W739-N743 WeakPolarHBondContact O-CB 3.37Å; W739-N743 PolarHBondContact O-N 2.89Å; W739-Y806 AromaticContact CD1-CE1 3.69Å; W739-Y806 AromaticContact CD1-CZ 3.77Å; W739-Y806 AromaticContact NE1-CE1 3.71Å; W739-Y806 AromaticContact NE1-CZ 3.74Å; W739-Y806 PolarHBondContact NE1-OH 3.14Å |
| 740 | S | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -45.5 | 178.1 | -163.3 | 0 | 0 | 0 | 0 | 111.6 | Y718 F721 L736 I737 E738 N743 S744 | Y718-S740 WeakPolarHBondContact CE1-OG 3.44Å; Y718-S740 WeakPolarHBondContact OH-CB 3.09Å; Y718-S740 PolarHBondContact OH-OG 3.26Å; F721-S740 PolarHBondContact N-OG 2.74Å; F721-S740 PolarHBondContact O-OG 2.88Å; L736-S740 VanDerWaalsContact O-CB 3.25Å; L736-S740 WeakPolarHBondContact O-CB 3.04Å; L736-S740 PolarHBondContact O-N 2.99Å; I737-S740 PolarHBondContact O-N 2.82Å; E738-S740 VanDerWaalsContact C-N 3.34Å; E738-S740 PolarHBondContact O-N 2.79Å; S740-N743 PolarHBondContact O-N 3.26Å; S740-S744 PolarHBondContact O-N 3.24Å; S740-S744 VanDerWaalsContact O-N 3.08Å |
| 741 | F | 92.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 175.9 | -89.2 | -126.8 | 0 | 0 | 0 | 111.9 | L705 Y718 I737 E738 N743 D745 L746 F748 L783 | L705-F741 HydrophobicContact CD2-CE1 4.16Å; L705-F741 HydrophobicContact CD2-CZ 3.64Å; Y718-F741 AromaticContact CD1-CE2 3.88Å; Y718-F741 HydrophobicContact CD1-CE2 3.88Å; Y718-F741 HydrophobicContact CD2-CE2 4.32Å; Y718-F741 AromaticContact CE1-CD2 3.73Å; Y718-F741 HydrophobicContact CE1-CD2 3.73Å; Y718-F741 AromaticContact CE1-CE2 3.5Å; Y718-F741 HydrophobicContact CE1-CE2 3.5Å; Y718-F741 HydrophobicContact CE2-CD2 4.47Å; Y718-F741 AromaticContact CE2-CE2 3.99Å; Y718-F741 HydrophobicContact CE2-CE2 3.99Å; Y718-F741 HydrophobicContact CG-CE2 4.27Å; Y718-F741 AromaticContact CZ-CD2 3.7Å; Y718-F741 AromaticContact CZ-CE2 3.56Å; I737-F741 HydrophobicContact CD1-CD2 4.36Å; I737-F741 HydrophobicContact CD1-CE2 3.87Å; I737-F741 HydrophobicContact CD1-CZ 4.35Å; I737-F741 HydrophobicContact CG1-CD2 3.63Å; I737-F741 HydrophobicContact CG1-CE2 3.62Å; I737-F741 HydrophobicContact CG1-CG 4.5Å; I737-F741 HydrophobicContact CG1-CZ 4.48Å; I737-F741 WeakPolarHBondContact O-CB 3.39Å; I737-F741 WeakPolarHBondContact O-CD2 3.42Å; I737-F741 PolarHBondContact O-N 3.27Å; E738-F741 PolarHBondContact O-N 3.26Å; F741-N743 VanDerWaalsContact C-N 3.33Å; F741-N743 PolarHBondContact O-N 2.99Å; F741-D745 WeakPolarHBondContact O-CA 3.44Å; F741-D745 PolarHBondContact O-N 3.12Å; F741-L746 HydrophobicContact CB-CB 4.44Å; F741-L746 HydrophobicContact CD1-CB 3.96Å; F741-L746 VanDerWaalsContact CD1-O 3.31Å; F741-L746 WeakPolarHBondContact CD1-O 3.42Å; F741-L746 HydrophobicContact CE1-CB 4.33Å; F741-L746 HydrophobicContact CG-CB 4.1Å; F741-L746 PolarHBondContact O-N 2.83Å; F741-F748 HydrophobicContact CE1-CD1 4.42Å; F741-F748 AromaticContact CE1-CD2 3.62Å; F741-F748 HydrophobicContact CE1-CD2 3.62Å; F741-F748 HydrophobicContact CE1-CE1 4.39Å; F741-F748 AromaticContact CE1-CE2 3.59Å; F741-F748 HydrophobicContact CE1-CE2 3.59Å; F741-F748 HydrophobicContact CE1-CG 4.05Å; F741-F748 HydrophobicContact CE1-CZ 4Å; F741-F748 HydrophobicContact CE2-CE2 4.42Å; F741-F748 HydrophobicContact CE2-CZ 4.27Å; F741-F748 HydrophobicContact CZ-CD1 4.25Å; F741-F748 AromaticContact CZ-CD2 3.93Å; F741-F748 HydrophobicContact CZ-CD2 3.93Å; F741-F748 AromaticContact CZ-CE1 3.82Å; F741-F748 HydrophobicContact CZ-CE1 3.82Å; F741-F748 AromaticContact CZ-CE2 3.47Å; F741-F748 HydrophobicContact CZ-CE2 3.47Å; F741-F748 VanDerWaalsContact CZ-CE2 3.47Å; F741-F748 HydrophobicContact CZ-CG 4.3Å; F741-F748 AromaticContact CZ-CZ 3.41Å; F741-F748 HydrophobicContact CZ-CZ 3.41Å; F741-F748 VanDerWaalsContact CZ-CZ 3.41Å; F741-L783 HydrophobicContact CB-CD2 3.92Å; F741-L783 HydrophobicContact CD1-CB 4.06Å; F741-L783 HydrophobicContact CD1-CD1 4.34Å; F741-L783 HydrophobicContact CD1-CD2 4.01Å; F741-L783 HydrophobicContact CD1-CG 4.36Å; F741-L783 HydrophobicContact CE1-CB 4.25Å; F741-L783 HydrophobicContact CG-CD1 4.47Å; F741-L783 HydrophobicContact CG-CD2 4.15Å |
| 742 | I | 89.1 | Confident | 92.2 | Very high | 34 Ų | 34 | 28 Ų | 28 | 17% | 0.174 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 175.5 | -69.5 | 163.1 | 0 | 0 | 0 | 110.6 | E738 R803 Y806 I816 | E738-I742 HydrophobicContact CB-CD1 4.46Å; E738-I742 VanDerWaalsContact O-CB 3.28Å; E738-I742 WeakPolarHBondContact O-CB 3.37Å; E738-I742 VanDerWaalsContact O-CD1 3.3Å; E738-I742 WeakPolarHBondContact O-CD1 3.39Å; E738-I742 WeakPolarHBondContact O-CG1 3.24Å; E738-I742 PolarHBondContact O-N 2.91Å; I742-R803 HydrophobicContact CG2-CG 4.16Å; I742-R803 PolarHBondContact O-NE 2.78Å; I742-R803 PolarHBondContact O-NH1 2.79Å; I742-R803 PolarHBondContact O-NH2 2.98Å; I742-Y806 HydrophobicContact CD1-CD1 4.07Å; I742-Y806 HydrophobicContact CD1-CD2 3.47Å; I742-Y806 VanDerWaalsContact CD1-CD2 3.47Å; I742-Y806 HydrophobicContact CD1-CE1 4.02Å; I742-Y806 HydrophobicContact CD1-CE2 3.39Å; I742-Y806 HydrophobicContact CD1-CG 3.82Å; I742-I816 HydrophobicContact CD1-CD1 4.42Å; I742-I816 HydrophobicContact CD1-CG1 3.93Å; I742-I816 HydrophobicContact CG1-CG1 4.39Å |
| 743 | N | 88.8 | Confident | 92.1 | Very high | 56 Ų | 56 | 28.7 Ų | 28.7 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.3 | -53.1 | -179.4 | -170 | 29 | 0 | 0 | 0 | 111.7 | F721 W739 S740 F741 D745 R803 | F721-N743 PolarHBondContact O-ND2 2.9Å; W739-N743 WeakPolarHBondContact O-CB 3.37Å; W739-N743 PolarHBondContact O-N 2.89Å; S740-N743 PolarHBondContact O-N 3.26Å; F741-N743 VanDerWaalsContact C-N 3.33Å; F741-N743 PolarHBondContact O-N 2.99Å; N743-D745 VanDerWaalsContact C-N 3.28Å; N743-D745 PolarHBondContact O-N 2.71Å; N743-R803 PolarHBondContact O-NH1 3.24Å; N743-R803 PolarHBondContact O-NH2 3.35Å |
| 744 | S | 88.8 | Confident | 92.1 | Very high | 45 Ų | 45 | 28.7 Ų | 28.7 | 32% | 0.315 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -82.3 | 3 | -177.3 | -57.9 | 0 | 0 | 0 | 0 | 115 | S707 S740 L746 | S707-S744 PolarHBondContact OG-O 3.02Å; S740-S744 PolarHBondContact O-N 3.24Å; S740-S744 VanDerWaalsContact O-N 3.08Å; S744-L746 VanDerWaalsContact C-N 3.32Å; S744-L746 PolarHBondContact O-N 2.81Å |
| 745 | D | 88.9 | Confident | 92.2 | Very high | 72 Ų | 72 | 27 Ų | 27 | 39% | 0.385 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 43.6 | -176.8 | -136.7 | 49.6 | 0 | 0 | 0 | 113 | S707 A708 F741 N743 R803 | S707-D745 WeakPolarHBondContact CA-O 3.46Å; A708-D745 WeakPolarHBondContact CB-OD2 3.43Å; A708-D745 PolarHBondContact N-O 2.82Å; F741-D745 WeakPolarHBondContact O-CA 3.44Å; F741-D745 PolarHBondContact O-N 3.12Å; N743-D745 VanDerWaalsContact C-N 3.28Å; N743-D745 PolarHBondContact O-N 2.71Å; D745-R803 IonicContact OD1-CZ 3.43Å; D745-R803 IonicContact OD1-NH1 3.91Å; D745-R803 PolarHBondContact OD1-NH1 2.96Å |
| 746 | L | 91.9 | Very high | 92.5 | Very high | 21 Ų | 21 | 24 Ų | 24 | 11% | 0.11 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 150.6 | -174.8 | -68.1 | 171 | 0 | 0 | 0 | 113.1 | R706 Y718 F741 S744 | R706-L746 CarbonylContact O-C 3.51Å; R706-L746 WeakPolarHBondContact O-CA 3.29Å; Y718-L746 HydrophobicContact CE2-CD1 3.75Å; F741-L746 HydrophobicContact CB-CB 4.44Å; F741-L746 HydrophobicContact CD1-CB 3.96Å; F741-L746 VanDerWaalsContact CD1-O 3.31Å; F741-L746 WeakPolarHBondContact CD1-O 3.42Å; F741-L746 HydrophobicContact CE1-CB 4.33Å; F741-L746 HydrophobicContact CG-CB 4.1Å; F741-L746 PolarHBondContact O-N 2.83Å; S744-L746 VanDerWaalsContact C-N 3.32Å; S744-L746 PolarHBondContact O-N 2.81Å |
| 747 | K | 91.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 24 Ų | 24 | 14% | 0.139 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 156.9 | 165.8 | -63.1 | -66.8 | -176.8 | -177.3 | 0 | 110.8 | L705 R706 D782 L783 E785 E801 | L705-K747 WeakPolarHBondContact CA-O 3.46Å; R706-K747 PolarHBondContact N-O 3.11Å; R706-K747 PolarHBondContact O-N 3.04Å; K747-D782 PolarHBondContact NZ-O 3.04Å; K747-L783 CarbonylContact C-O 3.56Å; K747-L783 WeakPolarHBondContact CA-O 3.27Å; K747-L783 WeakPolarHBondContact CB-O 3.45Å; K747-L783 VanDerWaalsContact CD-O 3.29Å; K747-L783 WeakPolarHBondContact CD-O 3.38Å; K747-E785 HydrophobicContact CB-CG 3.4Å; K747-E785 HydrophobicContact CG-CG 4.06Å; K747-E801 WeakPolarHBondContact CE-OE1 3.41Å; K747-E801 IonicContact NZ-OE1 2.73Å; K747-E801 PolarHBondContact NZ-OE1 3.04Å; K747-E801 IonicContact NZ-OE2 3.82Å; K747-E801 PolarHBondContact NZ-OE2 3.26Å |
| 748 | F | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.2 | 165.6 | -70.2 | -71 | 0 | 0 | 0 | 109.8 | L703 L705 I737 F741 P752 L755 I780 L783 L784 E785 | L703-F748 HydrophobicContact CD2-CE1 4.19Å; L705-F748 HydrophobicContact CD2-CD1 3.55Å; L705-F748 HydrophobicContact CD2-CE1 3.6Å; L705-F748 HydrophobicContact CD2-CG 4.38Å; L705-F748 HydrophobicContact CD2-CZ 4.49Å; I737-F748 HydrophobicContact CD1-CE2 4.2Å; I737-F748 HydrophobicContact CD1-CZ 4.07Å; F741-F748 HydrophobicContact CE1-CD1 4.42Å; F741-F748 AromaticContact CE1-CD2 3.62Å; F741-F748 HydrophobicContact CE1-CD2 3.62Å; F741-F748 HydrophobicContact CE1-CE1 4.39Å; F741-F748 AromaticContact CE1-CE2 3.59Å; F741-F748 HydrophobicContact CE1-CE2 3.59Å; F741-F748 HydrophobicContact CE1-CG 4.05Å; F741-F748 HydrophobicContact CE1-CZ 4Å; F741-F748 HydrophobicContact CE2-CE2 4.42Å; F741-F748 HydrophobicContact CE2-CZ 4.27Å; F741-F748 HydrophobicContact CZ-CD1 4.25Å; F741-F748 AromaticContact CZ-CD2 3.93Å; F741-F748 HydrophobicContact CZ-CD2 3.93Å; F741-F748 AromaticContact CZ-CE1 3.82Å; F741-F748 HydrophobicContact CZ-CE1 3.82Å; F741-F748 AromaticContact CZ-CE2 3.47Å; F741-F748 HydrophobicContact CZ-CE2 3.47Å; F741-F748 VanDerWaalsContact CZ-CE2 3.47Å; F741-F748 HydrophobicContact CZ-CG 4.3Å; F741-F748 AromaticContact CZ-CZ 3.41Å; F741-F748 HydrophobicContact CZ-CZ 3.41Å; F741-F748 VanDerWaalsContact CZ-CZ 3.41Å; F748-P752 HydrophobicContact CD1-CG 4.38Å; F748-P752 HydrophobicContact CE1-CG 4.18Å; F748-L755 HydrophobicContact CE1-CD1 4.33Å; F748-L755 HydrophobicContact CZ-CD1 4.02Å; F748-L755 HydrophobicContact CZ-CD2 4.1Å; F748-I780 HydrophobicContact CD2-CB 4.4Å; F748-I780 HydrophobicContact CE2-CB 4.3Å; F748-I780 HydrophobicContact CE2-CG2 4.05Å; F748-L783 HydrophobicContact CD2-CB 3.84Å; F748-L783 HydrophobicContact CE2-CB 4.14Å; F748-L783 HydrophobicContact CE2-CD1 4.26Å; F748-L783 PolarHBondContact N-O 2.74Å; F748-L784 HydrophobicContact CB-CD2 3.6Å; F748-L784 HydrophobicContact CB-CG 4.22Å; F748-E785 PolarHBondContact O-N 2.76Å |
| 749 | A | 91.8 | Very high | 92.9 | Very high | 27 Ų | 27 | 23.7 Ų | 23.7 | 22% | 0.223 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -77.3 | -25.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K704 V712 E785 | K704-A749 HydrophobicContact CB-CB 4.26Å; K704-A749 PolarHBondContact O-N 3.19Å; V712-A749 HydrophobicContact CG2-CB 4.03Å; A749-E785 WeakPolarHBondContact CA-OE2 3.39Å |
| 750 | E | 89.9 | Confident | 92.9 | Very high | 94 Ų | 94 | 22.9 Ų | 22.9 | 44% | 0.439 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -146.2 | 160.5 | 171.5 | 63.7 | -175.2 | -134.5 | 0 | 0 | 109.3 | K704 P752 | K704-E750 HydrophobicContact CB-CG 4.25Å; K704-E750 HydrophobicContact CD-CG 4.33Å; K704-E750 WeakPolarHBondContact CD-OE2 3.5Å; K704-E750 HydrophobicContact CG-CG 4.35Å; K704-E750 IonicContact NZ-OE1 3.37Å; K704-E750 PolarHBondContact NZ-OE1 3.18Å; K704-E750 IonicContact NZ-OE2 2.9Å; K704-E750 PolarHBondContact NZ-OE2 3.01Å; E750-P752 WeakPolarHBondContact O-CD 3.36Å |
| 751 | A | 91.3 | Very high | 92.5 | Very high | 39 Ų | 39 | 24.6 Ų | 24.6 | 32% | 0.322 | 14% | 0.139 | S | C | . | . | trans | -75 | 118 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I780 L784 Q860 | A751-I780 HydrophobicContact CB-CD1 4.45Å; A751-L784 HydrophobicContact CB-CD1 4.37Å; A751-L784 HydrophobicContact CB-CD2 4.19Å; A751-Q860 HydrophobicContact CB-CG 3.96Å | ||
| 752 | P | 93.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | trans | -70.1 | 143.9 | -179.7 | 29.4 | -35.3 | 0 | 0 | 0 | 111.5 | L702 L703 F748 E750 L755 I780 M862 | L702-P752 WeakPolarHBondContact O-CB 3.46Å; L703-P752 HydrophobicContact CD2-CB 3.65Å; L703-P752 HydrophobicContact CD2-CG 4.02Å; F748-P752 HydrophobicContact CD1-CG 4.38Å; F748-P752 HydrophobicContact CE1-CG 4.18Å; E750-P752 WeakPolarHBondContact O-CD 3.36Å; P752-L755 HydrophobicContact CG-CB 4.25Å; P752-I780 HydrophobicContact CG-CD1 4.33Å; P752-M862 HydrophobicContact CG-CE 4.23Å; P752-M862 HydrophobicContact CG-SD 3.93Å; P752-M862 VanDerWaalsContact O-CE 3.23Å; P752-M862 WeakPolarHBondContact O-CE 3.43Å | ||
| 753 | S | 92.1 | Very high | 90.6 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -75.9 | -37.1 | 171.8 | 54.9 | 0 | 0 | 0 | 0 | 112 | V619 Q951 S952 | V619-S753 VanDerWaalsContact CG2-O 3.31Å; V619-S753 WeakPolarHBondContact CG2-O 3.37Å; S753-Q951 CarbonylContact O-C 3.52Å; S753-Q951 WeakPolarHBondContact O-CA 3.28Å; S753-S952 PolarHBondContact O-N 3.46Å |
| 754 | C | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.6 | 175.2 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | V619 L620 L702 Y950 | V619-C754 HydrophobicContact CG1-CB 3.89Å; V619-C754 HydrophobicContact CG2-CB 3.8Å; L620-C754 HydrophobicContact CD2-CB 4.43Å; L702-C754 HydrophobicContact CD1-CB 4.3Å; L702-C754 HydrophobicContact CD2-CB 4.42Å; C754-Y950 CarbonylContact C-O 3.54Å; C754-Y950 WeakPolarHBondContact CA-O 3.38Å |
| 755 | L | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 106.8 | 179.6 | 168.8 | 59.6 | 0 | 0 | 0 | 109.4 | L703 I737 F748 P752 I757 L778 I780 M862 Y950 | L703-L755 HydrophobicContact CD1-CD1 3.88Å; L703-L755 HydrophobicContact CD2-CB 4.32Å; L703-L755 HydrophobicContact CD2-CD1 3.64Å; L703-L755 HydrophobicContact CG-CD1 4.44Å; I737-L755 HydrophobicContact CD1-CD2 4.2Å; F748-L755 HydrophobicContact CE1-CD1 4.33Å; F748-L755 HydrophobicContact CZ-CD1 4.02Å; F748-L755 HydrophobicContact CZ-CD2 4.1Å; P752-L755 HydrophobicContact CG-CB 4.25Å; L755-I757 HydrophobicContact CD1-CD1 4.44Å; L755-I757 HydrophobicContact CD1-CG1 3.89Å; L755-I757 HydrophobicContact CD2-CD1 4.14Å; L755-I757 HydrophobicContact CD2-CG1 4.41Å; L755-I757 HydrophobicContact CG-CD1 4.11Å; L755-I757 HydrophobicContact CG-CG1 3.85Å; L755-L778 HydrophobicContact CD2-CD1 4.07Å; L755-I780 HydrophobicContact CD2-CG2 4.4Å; L755-M862 HydrophobicContact CB-CE 3.6Å; L755-M862 HydrophobicContact CB-SD 3.7Å; L755-M862 HydrophobicContact CD2-SD 3.79Å; L755-M862 HydrophobicContact CG-SD 4.41Å; L755-Y950 PolarHBondContact N-O 3.04Å; L755-Y950 PolarHBondContact O-N 3.12Å |
| 756 | I | 98.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124 | 174.6 | -57.9 | 173.9 | 0 | 0 | 0 | 107.9 | L613 L689 F717 Y718 M947 M949 | L613-I756 HydrophobicContact CD2-CD1 4.18Å; L689-I756 HydrophobicContact CD1-CD1 4.32Å; F717-I756 CarbonylContact C-O 3.47Å; F717-I756 VanDerWaalsContact CA-O 3.29Å; F717-I756 WeakPolarHBondContact CA-O 3.32Å; F717-I756 HydrophobicContact CB-CB 3.78Å; F717-I756 HydrophobicContact CB-CG2 3.77Å; Y718-I756 PolarHBondContact N-O 3.4Å; I756-M947 HydrophobicContact CG2-CB 4.28Å; I756-M947 HydrophobicContact CG2-CG 4.09Å; I756-M947 HydrophobicContact CG2-SD 3.76Å; I756-M949 HydrophobicContact CG1-CG 4.18Å; I756-M949 HydrophobicContact CG2-CG 4.35Å |
| 757 | I | 97.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.5 | -178.3 | -50.4 | 179 | 0 | 0 | 0 | 109.3 | Y718 I720 I737 L755 M759 L778 M947 C948 Y950 | Y718-I757 CarbonylContact O-C 3.53Å; Y718-I757 WeakPolarHBondContact O-CA 3.41Å; I720-I757 HydrophobicContact CD1-CG2 3.65Å; I720-I757 HydrophobicContact CG1-CG2 3.68Å; I737-I757 HydrophobicContact CB-CD1 4.48Å; I737-I757 HydrophobicContact CD1-CD1 3.94Å; L755-I757 HydrophobicContact CD1-CD1 4.44Å; L755-I757 HydrophobicContact CD1-CG1 3.89Å; L755-I757 HydrophobicContact CD2-CD1 4.14Å; L755-I757 HydrophobicContact CD2-CG1 4.41Å; L755-I757 HydrophobicContact CG-CD1 4.11Å; L755-I757 HydrophobicContact CG-CG1 3.85Å; I757-M759 HydrophobicContact CB-CE 4.01Å; I757-M759 HydrophobicContact CG2-CE 3.65Å; I757-M759 VanDerWaalsContact O-CE 3.3Å; I757-M759 WeakPolarHBondContact O-CE 3.47Å; I757-L778 HydrophobicContact CD1-CD1 3.66Å; I757-M947 CarbonylContact O-C 3.58Å; I757-M947 VanDerWaalsContact O-CA 3.28Å; I757-M947 WeakPolarHBondContact O-CA 3.15Å; I757-C948 PolarHBondContact N-O 3.07Å; I757-C948 PolarHBondContact O-N 3.03Å; I757-Y950 HydrophobicContact CD1-CD2 4.04Å; I757-Y950 HydrophobicContact CD1-CE2 3.74Å; I757-Y950 HydrophobicContact CG1-CD2 4.33Å; I757-Y950 HydrophobicContact CG1-CE2 4.25Å |
| 758 | Q | 96.9 | Very high | 87.6 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 133.1 | 170.3 | -65.4 | 165.8 | -62.8 | 0 | 0 | 110.3 | E686 F717 Y718 I720 Y946 M947 | E686-Q758 PolarHBondContact OE1-NE2 2.97Å; E686-Q758 PolarHBondContact OE2-NE2 3.01Å; F717-Q758 HydrophobicContact CD2-CG 4.29Å; F717-Q758 VanDerWaalsContact CE2-OE1 3.31Å; Y718-Q758 PolarHBondContact O-N 2.68Å; I720-Q758 WeakPolarHBondContact CG1-O 3.26Å; I720-Q758 PolarHBondContact N-O 2.85Å; Q758-Y946 CarbonylContact C-O 3.55Å; Q758-Y946 WeakPolarHBondContact CA-O 3.36Å; Q758-M947 HydrophobicContact CB-CG 4.49Å; Q758-M947 HydrophobicContact CG-CE 3.52Å; Q758-M947 HydrophobicContact CG-CG 3.79Å; Q758-M947 HydrophobicContact CG-SD 4.46Å |
| 759 | M | 94.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | trans | -73.8 | 156.8 | -179.4 | -64.2 | -59.3 | 98.9 | 0 | 0 | 111.6 | Q719 L736 I757 R761 I772 A945 Y946 C948 | Q719-M759 PolarHBondContact NE2-O 2.81Å; L736-M759 HydrophobicContact CD1-SD 4.29Å; I757-M759 HydrophobicContact CB-CE 4.01Å; I757-M759 HydrophobicContact CG2-CE 3.65Å; I757-M759 VanDerWaalsContact O-CE 3.3Å; I757-M759 WeakPolarHBondContact O-CE 3.47Å; M759-R761 PolarHBondContact O-N 2.94Å; M759-I772 HydrophobicContact CB-CD1 4.03Å; M759-I772 HydrophobicContact CG-CD1 4.15Å; M759-I772 HydrophobicContact SD-CD1 3.95Å; M759-I772 HydrophobicContact SD-CG2 4.03Å; M759-A945 HydrophobicContact CG-CB 4.22Å; M759-A945 WeakPolarHBondContact CG-O 3.27Å; M759-Y946 WeakPolarHBondContact CG-O 3.38Å; M759-Y946 PolarHBondContact N-O 2.96Å; M759-C948 HydrophobicContact CE-CB 4.11Å | ||
| 760 | P | 91.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -73.3 | 85.8 | 179.7 | 29.3 | -34.6 | 0 | 0 | 0 | 112 | I720 L736 M768 F769 I772 | I720-P760 HydrophobicContact CB-CB 4.42Å; I720-P760 HydrophobicContact CG2-CB 4.07Å; I720-P760 HydrophobicContact CG2-CG 4.06Å; L736-P760 HydrophobicContact CD1-CG 4.41Å; L736-P760 HydrophobicContact CD2-CG 4.36Å; P760-M768 HydrophobicContact CB-CB 4Å; P760-M768 HydrophobicContact CB-CE 4.1Å; P760-M768 HydrophobicContact CB-SD 3.96Å; P760-M768 HydrophobicContact CG-CB 4.17Å; P760-M768 HydrophobicContact CG-SD 4.3Å; P760-M768 VanDerWaalsContact O-CB 3.28Å; P760-M768 WeakPolarHBondContact O-CB 2.91Å; P760-M768 PolarHBondContact O-N 3.11Å; P760-M768 VanDerWaalsContact O-N 3.12Å; P760-F769 HydrophobicContact CG-CD2 4.09Å; P760-F769 HydrophobicContact CG-CE2 4.14Å; P760-I772 HydrophobicContact CG-CD1 4.42Å |
| 761 | R | 84.3 | Confident | 87.4 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 155.3 | 172.5 | -64.5 | 179.3 | 178.7 | -116.1 | -16.9 | 109.9 | M759 F766 I870 C943 D944 A945 | M759-R761 PolarHBondContact O-N 2.94Å; R761-F766 WeakPolarHBondContact CA-O 3.43Å; R761-I870 PolarHBondContact NH1-O 3.24Å; R761-C943 PolarHBondContact NH2-O 3.11Å; R761-D944 PolarHBondContact NH2-O 3.48Å; R761-D944 VanDerWaalsContact NH2-O 3.09Å; R761-A945 PolarHBondContact NE-O 2.71Å; R761-A945 PolarHBondContact NH2-O 3.07Å |
| 762 | F | 74.5 | Confident | 87.6 | Confident | 116 Ų | 116 | 42.4 Ų | 42.4 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 90.6 | 176.5 | -71.3 | -86.6 | 0 | 0 | 0 | 110 | F766 M768 | F762-F766 HydrophobicContact CB-CB 4.23Å; F762-F766 HydrophobicContact CB-CD1 3.92Å; F762-F766 HydrophobicContact CB-CG 4.41Å; F762-F766 AromaticContact CD2-CD1 3.75Å; F762-F766 HydrophobicContact CD2-CD1 3.75Å; F762-F766 AromaticContact CD2-CE1 3.88Å; F762-F766 HydrophobicContact CD2-CE1 3.88Å; F762-F766 HydrophobicContact CG-CD1 4.3Å; F762-F766 PolarHBondContact N-O 2.7Å; F762-F766 WeakPolarHBondContact O-CB 3.49Å; F762-M768 HydrophobicContact CE2-CE 4.05Å |
| 763 | G | 68.9 | Low | 87.7 | Confident | 68 Ų | 68 | 43.4 Ų | 43.4 | 70% | 0.701 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -168 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 764 | K | 68.9 | Low | 88 | Confident | 112 Ų | 112 | 41.7 Ų | 41.7 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -36.9 | -173.7 | -68.3 | -174.6 | 166.7 | -175.2 | 0 | 113.2 | E682 T872 | E682-K764 IonicContact OE1-NZ 3.37Å; E682-K764 IonicContact OE2-NZ 3.5Å; E682-K764 PolarHBondContact OE2-NZ 3Å; K764-T872 WeakPolarHBondContact CD-O 3.28Å; K764-T872 WeakPolarHBondContact CE-O 3.04Å |
| 765 | D | 69.7 | Low | 88 | Confident | 163 Ų | 163 | 42.3 Ų | 42.3 | 87% | 0.872 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -26 | -171.1 | -47.7 | -60.4 | 0 | 0 | 0 | 114.8 | ||
| 766 | F | 78.6 | Confident | 88 | Confident | 107 Ų | 107 | 44.4 Ų | 44.4 | 47% | 0.469 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 109.4 | -172.3 | -171.5 | -85.8 | 0 | 0 | 0 | 113.1 | R761 F762 M768 | R761-F766 WeakPolarHBondContact CA-O 3.43Å; F762-F766 HydrophobicContact CB-CB 4.23Å; F762-F766 HydrophobicContact CB-CD1 3.92Å; F762-F766 HydrophobicContact CB-CG 4.41Å; F762-F766 AromaticContact CD2-CD1 3.75Å; F762-F766 HydrophobicContact CD2-CD1 3.75Å; F762-F766 AromaticContact CD2-CE1 3.88Å; F762-F766 HydrophobicContact CD2-CE1 3.88Å; F762-F766 HydrophobicContact CG-CD1 4.3Å; F762-F766 PolarHBondContact N-O 2.7Å; F762-F766 WeakPolarHBondContact O-CB 3.49Å; F766-M768 HydrophobicContact CE1-CB 4.19Å |
| 767 | K | 84.1 | Confident | 87.8 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.3 | 165.1 | -56.9 | 175.2 | -176.9 | -178 | 0 | 108.4 | F769 C943 D944 | K767-F769 VanDerWaalsContact C-N 3.26Å; K767-F769 PolarHBondContact O-N 2.73Å; K767-C943 PolarHBondContact NZ-O 2.97Å; K767-D944 IonicContact NZ-OD1 3.37Å; K767-D944 PolarHBondContact NZ-OD1 3.2Å |
| 768 | M | 85.3 | Confident | 87.7 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -64.4 | -32.7 | -179.8 | -174.8 | 179.5 | -74.3 | 0 | 0 | 112.7 | M722 K724 P760 F762 F766 | M722-M768 VanDerWaalsContact O-CE 3.28Å; M722-M768 WeakPolarHBondContact O-CE 3.48Å; M722-M768 HydrophobicContact SD-SD 3.78Å; K724-M768 HydrophobicContact CB-CG 4.15Å; K724-M768 HydrophobicContact CB-SD 4.23Å; K724-M768 HydrophobicContact CD-CG 4.18Å; K724-M768 WeakPolarHBondContact CE-O 3.43Å; K724-M768 HydrophobicContact CG-CG 4.23Å; K724-M768 PolarHBondContact NZ-O 2.73Å; P760-M768 HydrophobicContact CB-CB 4Å; P760-M768 HydrophobicContact CB-CE 4.1Å; P760-M768 HydrophobicContact CB-SD 3.96Å; P760-M768 HydrophobicContact CG-CB 4.17Å; P760-M768 HydrophobicContact CG-SD 4.3Å; P760-M768 VanDerWaalsContact O-CB 3.28Å; P760-M768 WeakPolarHBondContact O-CB 2.91Å; P760-M768 PolarHBondContact O-N 3.11Å; P760-M768 VanDerWaalsContact O-N 3.12Å; F762-M768 HydrophobicContact CE2-CE 4.05Å; F766-M768 HydrophobicContact CE1-CB 4.19Å |
| 769 | F | 88.6 | Confident | 87.6 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.044 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -130.4 | 140.8 | 178.8 | -56.3 | -85.4 | 0 | 0 | 0 | 110 | M722 K724 P731 L736 P760 K767 I772 | M722-F769 HydrophobicContact SD-CE2 4.32Å; M722-F769 HydrophobicContact SD-CZ 4.23Å; K724-F769 HydrophobicContact CG-CE1 4.48Å; P731-F769 HydrophobicContact CG-CB 4.26Å; P731-F769 HydrophobicContact CG-CD1 3.73Å; P731-F769 HydrophobicContact CG-CD2 3.73Å; P731-F769 HydrophobicContact CG-CE1 3.92Å; P731-F769 HydrophobicContact CG-CE2 3.92Å; P731-F769 HydrophobicContact CG-CG 3.63Å; P731-F769 HydrophobicContact CG-CZ 4.02Å; L736-F769 HydrophobicContact CD2-CD2 4.39Å; L736-F769 HydrophobicContact CD2-CE2 3.75Å; L736-F769 HydrophobicContact CD2-CZ 4.35Å; P760-F769 HydrophobicContact CG-CD2 4.09Å; P760-F769 HydrophobicContact CG-CE2 4.14Å; K767-F769 VanDerWaalsContact C-N 3.26Å; K767-F769 PolarHBondContact O-N 2.73Å; F769-I772 HydrophobicContact CB-CG1 4.14Å |
| 770 | N | 89 | Confident | 87.5 | Confident | 125 Ų | 125 | 49.4 Ų | 49.4 | 67% | 0.668 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -74.4 | -27 | -176.5 | -65.8 | 7.9 | 0 | 0 | 0 | 113 | ||
| 771 | K | 93.8 | Very high | 87.5 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | trans | -134.4 | 149.5 | 166.4 | -41.5 | -170.4 | -174.5 | 83 | 0 | 108.8 | V730 L926 H927 L929 I934 L942 | V730-K771 HydrophobicContact CG1-CB 4.15Å; V730-K771 HydrophobicContact CG2-CB 3.96Å; V730-K771 HydrophobicContact CG2-CD 4.42Å; V730-K771 HydrophobicContact CG2-CG 4.39Å; K771-L926 WeakPolarHBondContact CD-O 3.37Å; K771-L926 WeakPolarHBondContact CE-O 3.43Å; K771-L926 PolarHBondContact NZ-O 2.94Å; K771-H927 PolarHBondContact NZ-O 3.22Å; K771-L929 WeakPolarHBondContact CE-O 3.26Å; K771-L929 PolarHBondContact NZ-O 2.75Å; K771-I934 HydrophobicContact CD-CD1 4.35Å; K771-L942 CarbonylContact C-O 3.57Å; K771-L942 VanDerWaalsContact CA-O 3.26Å; K771-L942 WeakPolarHBondContact CA-O 3.42Å | ||
| 772 | I | 95.1 | Very high | 87.8 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | trans | -126.4 | 140.8 | 168.8 | -62.7 | 174.4 | 0 | 0 | 0 | 107.4 | P731 L736 M759 P760 F769 P774 L942 | P731-I772 HydrophobicContact CG-CG1 4.5Å; L736-I772 HydrophobicContact CD1-CD1 4.1Å; L736-I772 HydrophobicContact CD1-CG1 4.43Å; L736-I772 HydrophobicContact CD1-CG2 3.75Å; M759-I772 HydrophobicContact CB-CD1 4.03Å; M759-I772 HydrophobicContact CG-CD1 4.15Å; M759-I772 HydrophobicContact SD-CD1 3.95Å; M759-I772 HydrophobicContact SD-CG2 4.03Å; P760-I772 HydrophobicContact CG-CD1 4.42Å; F769-I772 HydrophobicContact CB-CG1 4.14Å; I772-P774 VanDerWaalsContact O-CD 3.29Å; I772-P774 WeakPolarHBondContact O-CD 3.33Å; I772-L942 PolarHBondContact N-O 2.86Å | ||
| 773 | F | 96.9 | Very high | 88.6 | Confident | 25 Ų | 25 | 43 Ų | 43 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 108.2 | 174.7 | -173.7 | -83.5 | 0 | 0 | 0 | 110.1 | V730 P731 T732 S733 S775 L919 M921 L926 | V730-F773 HydrophobicContact CG1-CB 4.25Å; P731-F773 PolarHBondContact O-N 3.37Å; T732-F773 CarbonylContact C-O 3.48Å; T732-F773 VanDerWaalsContact CA-O 3.32Å; T732-F773 WeakPolarHBondContact CA-O 3.45Å; T732-F773 HydrophobicContact CG2-CB 4.14Å; T732-F773 HydrophobicContact CG2-CD1 3.96Å; T732-F773 HydrophobicContact CG2-CG 4.3Å; S733-F773 PolarHBondContact N-O 2.83Å; F773-S775 PolarHBondContact O-N 3.26Å; F773-S775 VanDerWaalsContact O-N 3.15Å; F773-L919 HydrophobicContact CD2-CD2 4.31Å; F773-L919 HydrophobicContact CE2-CD2 4.02Å; F773-L919 HydrophobicContact CZ-CD2 4.21Å; F773-M921 WeakPolarHBondContact CE2-O 3.43Å; F773-L926 HydrophobicContact CD2-CD1 3.5Å; F773-L926 HydrophobicContact CE2-CD1 3.76Å |
| 774 | P | 97.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | trans | -74.8 | 106.4 | 174.5 | 31.2 | -32.8 | 0 | 0 | 0 | 109.1 | I772 L776 L864 V867 L919 L941 | I772-P774 VanDerWaalsContact O-CD 3.29Å; I772-P774 WeakPolarHBondContact O-CD 3.33Å; P774-L776 PolarHBondContact O-N 2.99Å; P774-L864 HydrophobicContact CB-CD2 3.87Å; P774-L864 HydrophobicContact CG-CD2 4.49Å; P774-V867 HydrophobicContact CB-CG2 4.12Å; P774-V867 HydrophobicContact CG-CG2 4.43Å; P774-L919 HydrophobicContact CG-CD2 3.93Å; P774-L941 HydrophobicContact CG-CD2 3.64Å; P774-L941 HydrophobicContact CG-CG 4.28Å | ||
| 775 | S | 97 | Very high | 90.4 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | trans | -59.6 | 128.7 | -180 | -37.2 | 0 | 0 | 0 | 0 | 109.8 | S733 Q734 F773 E777 Y950 | S733-S775 PolarHBondContact N-OG 2.85Å; S733-S775 VanDerWaalsContact OG-CB 3.26Å; S733-S775 WeakPolarHBondContact OG-CB 3.48Å; S733-S775 PolarHBondContact OG-N 3.17Å; S733-S775 PolarHBondContact OG-OG 2.88Å; Q734-S775 PolarHBondContact N-OG 3.17Å; F773-S775 PolarHBondContact O-N 3.26Å; F773-S775 VanDerWaalsContact O-N 3.15Å; S775-E777 WeakPolarHBondContact CB-O 3.22Å; S775-E777 PolarHBondContact O-N 2.81Å; S775-Y950 WeakPolarHBondContact O-CE1 3.43Å | ||
| 776 | L | 95.8 | Very high | 90.8 | Very high | 44 Ų | 44 | 32.8 Ų | 32.8 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -64.6 | -26.9 | 179.5 | -67.2 | 175.9 | 0 | 0 | 0 | 113 | P774 L864 W888 L919 | P774-L776 PolarHBondContact O-N 2.99Å; L776-L864 HydrophobicContact CD2-CD2 4.44Å; L776-L864 PolarHBondContact O-N 2.94Å; L776-W888 HydrophobicContact CD2-CZ2 3.85Å; L776-L919 HydrophobicContact CD2-CD1 3.81Å |
| 777 | E | 95.6 | Very high | 91 | Very high | 100 Ų | 100 | 29.1 Ų | 29.1 | 47% | 0.467 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.5 | 168.2 | -63.4 | -179.7 | -170.2 | 0 | 0 | 109.7 | S775 R861 M862 | S775-E777 WeakPolarHBondContact CB-O 3.22Å; S775-E777 PolarHBondContact O-N 2.81Å; E777-R861 IonicContact OE1-NH1 3.77Å; E777-R861 WeakPolarHBondContact OE2-CD 3.33Å; E777-R861 IonicContact OE2-CZ 3.53Å; E777-R861 IonicContact OE2-NE 2.71Å; E777-R861 IonicContact OE2-NH1 2.66Å; E777-R861 PolarHBondContact OE2-NH1 2.84Å; E777-M862 CarbonylContact C-O 3.44Å; E777-M862 VanDerWaalsContact CA-O 3.3Å; E777-M862 WeakPolarHBondContact CA-O 3.25Å |
| 778 | L | 95.8 | Very high | 91 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144 | 161.4 | -70.9 | 176.1 | 0 | 0 | 0 | 110 | Q734 I737 L755 I757 R861 M862 Y950 | Q734-L778 HydrophobicContact CB-CD2 3.83Å; Q734-L778 VanDerWaalsContact OE1-CD2 3.29Å; I737-L778 HydrophobicContact CG2-CD2 4.36Å; L755-L778 HydrophobicContact CD2-CD1 4.07Å; I757-L778 HydrophobicContact CD1-CD1 3.66Å; L778-R861 CarbonylContact O-C 3.56Å; L778-R861 WeakPolarHBondContact O-CA 3.04Å; L778-M862 PolarHBondContact N-O 2.83Å; L778-M862 PolarHBondContact O-N 3.44Å; L778-Y950 HydrophobicContact CB-CD1 4.42Å; L778-Y950 HydrophobicContact CD1-CD1 3.7Å; L778-Y950 HydrophobicContact CD1-CD2 3.69Å; L778-Y950 HydrophobicContact CD1-CE1 3.62Å; L778-Y950 HydrophobicContact CD1-CE2 3.62Å; L778-Y950 HydrophobicContact CD1-CG 3.75Å; L778-Y950 HydrophobicContact CD2-CE1 4.4Å; L778-Y950 HydrophobicContact CG-CD1 3.78Å; L778-Y950 HydrophobicContact CG-CE1 3.49Å; L778-Y950 VanDerWaalsContact CG-CE1 3.49Å; L778-Y950 HydrophobicContact CG-CE2 4.38Å; L778-Y950 HydrophobicContact CG-CG 4.35Å |
| 779 | D | 93.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 10% | 0.096 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.3 | 164.1 | 180 | 17.3 | 0 | 0 | 0 | 109.8 | Q734 T781 R859 | Q734-D779 PolarHBondContact NE2-O 3.09Å; D779-T781 WeakPolarHBondContact OD1-CB 3.37Å; D779-T781 PolarHBondContact OD1-N 2.94Å; D779-T781 PolarHBondContact OD1-OG1 3.31Å; D779-R859 IonicContact OD2-CZ 2.81Å; D779-R859 IonicContact OD2-NE 3.01Å; D779-R859 PolarHBondContact OD2-NE 3.38Å; D779-R859 IonicContact OD2-NH2 3.12Å; D779-R859 PolarHBondContact OD2-NH2 3.04Å |
| 780 | I | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -102.4 | 4.7 | 179.9 | 62.1 | 165.4 | 0 | 0 | 0 | 112.9 | F748 A751 P752 L755 D782 L783 L784 Q860 M862 | F748-I780 HydrophobicContact CD2-CB 4.4Å; F748-I780 HydrophobicContact CE2-CB 4.3Å; F748-I780 HydrophobicContact CE2-CG2 4.05Å; A751-I780 HydrophobicContact CB-CD1 4.45Å; P752-I780 HydrophobicContact CG-CD1 4.33Å; L755-I780 HydrophobicContact CD2-CG2 4.4Å; I780-D782 VanDerWaalsContact C-N 3.3Å; I780-D782 PolarHBondContact O-N 2.67Å; I780-L783 HydrophobicContact CG2-CD1 4.48Å; I780-L783 CarbonylContact O-C 3.58Å; I780-L783 WeakPolarHBondContact O-CA 3.38Å; I780-L783 WeakPolarHBondContact O-CB 3.44Å; I780-L783 PolarHBondContact O-N 3.28Å; I780-L784 HydrophobicContact CD1-CD1 4.13Å; I780-L784 HydrophobicContact CD1-CG 4.5Å; I780-L784 HydrophobicContact CG1-CD1 4.05Å; I780-L784 PolarHBondContact O-N 3.37Å; I780-L784 VanDerWaalsContact O-N 3.08Å; I780-Q860 HydrophobicContact CD1-CG 3.84Å; I780-Q860 HydrophobicContact CG1-CB 4.09Å; I780-Q860 HydrophobicContact CG1-CG 3.75Å; I780-Q860 WeakPolarHBondContact CG1-O 3.43Å; I780-Q860 PolarHBondContact N-O 3Å; I780-M862 HydrophobicContact CD1-CG 4.34Å; I780-M862 HydrophobicContact CD1-SD 4.02Å | ||
| 781 | T | 91 | Very high | 91.3 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -41.8 | -178.1 | -52 | 0 | 0 | 0 | 0 | 113.1 | D779 L783 T787 R789 R859 Q860 | D779-T781 WeakPolarHBondContact OD1-CB 3.37Å; D779-T781 PolarHBondContact OD1-N 2.94Å; D779-T781 PolarHBondContact OD1-OG1 3.31Å; T781-L783 VanDerWaalsContact C-N 3.29Å; T781-T787 HydrophobicContact CG2-CG2 3.84Å; T781-R789 PolarHBondContact O-NE 2.78Å; T781-R859 WeakPolarHBondContact OG1-CA 3.43Å; T781-Q860 PolarHBondContact OG1-N 3.07Å |
| 782 | D | 90 | Very high | 91.1 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.4 | 178.7 | -72.3 | 6.2 | 0 | 0 | 0 | 113.3 | K747 I780 R789 R792 I816 Q818 | K747-D782 PolarHBondContact NZ-O 3.04Å; I780-D782 VanDerWaalsContact C-N 3.3Å; I780-D782 PolarHBondContact O-N 2.67Å; D782-R789 VanDerWaalsContact O-CZ 3.23Å; D782-R789 PolarHBondContact O-NH1 2.94Å; D782-R789 PolarHBondContact O-NH2 2.82Å; D782-R792 IonicContact OD1-NH2 2.64Å; D782-R792 IonicContact OD2-CZ 2.64Å; D782-R792 IonicContact OD2-NH2 3.68Å; D782-R792 PolarHBondContact OD2-NH2 3.03Å; D782-I816 HydrophobicContact CB-CB 4.05Å; D782-I816 HydrophobicContact CB-CD1 3.76Å; D782-I816 HydrophobicContact CB-CG1 4.46Å; D782-I816 HydrophobicContact CB-CG2 4.2Å; D782-Q818 VanDerWaalsContact CG-NE2 3.28Å; D782-Q818 PolarHBondContact OD1-NE2 3.09Å; D782-Q818 PolarHBondContact OD1-OE1 3.44Å; D782-Q818 PolarHBondContact OD2-NE2 3.24Å |
| 783 | L | 92.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -12.3 | 179.4 | -56.8 | -177.9 | 0 | 0 | 0 | 112.9 | I737 E738 F741 K747 F748 I780 T781 I816 | I737-L783 HydrophobicContact CD1-CD1 4.17Å; I737-L783 HydrophobicContact CG1-CD1 4.09Å; I737-L783 HydrophobicContact CG2-CD1 4.15Å; E738-L783 HydrophobicContact CG-CD2 4.45Å; F741-L783 HydrophobicContact CB-CD2 3.92Å; F741-L783 HydrophobicContact CD1-CB 4.06Å; F741-L783 HydrophobicContact CD1-CD1 4.34Å; F741-L783 HydrophobicContact CD1-CD2 4.01Å; F741-L783 HydrophobicContact CD1-CG 4.36Å; F741-L783 HydrophobicContact CE1-CB 4.25Å; F741-L783 HydrophobicContact CG-CD1 4.47Å; F741-L783 HydrophobicContact CG-CD2 4.15Å; K747-L783 CarbonylContact C-O 3.56Å; K747-L783 WeakPolarHBondContact CA-O 3.27Å; K747-L783 WeakPolarHBondContact CB-O 3.45Å; K747-L783 VanDerWaalsContact CD-O 3.29Å; K747-L783 WeakPolarHBondContact CD-O 3.38Å; F748-L783 HydrophobicContact CD2-CB 3.84Å; F748-L783 HydrophobicContact CE2-CB 4.14Å; F748-L783 HydrophobicContact CE2-CD1 4.26Å; F748-L783 PolarHBondContact N-O 2.74Å; I780-L783 HydrophobicContact CG2-CD1 4.48Å; I780-L783 CarbonylContact O-C 3.58Å; I780-L783 WeakPolarHBondContact O-CA 3.38Å; I780-L783 WeakPolarHBondContact O-CB 3.44Å; I780-L783 PolarHBondContact O-N 3.28Å; T781-L783 VanDerWaalsContact C-N 3.29Å; L783-I816 HydrophobicContact CD2-CD1 3.62Å |
| 784 | L | 90.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 149.1 | 175.1 | -74.4 | 155.7 | 0 | 0 | 0 | 112 | F748 A751 I780 T787 R789 Q860 | F748-L784 HydrophobicContact CB-CD2 3.6Å; F748-L784 HydrophobicContact CB-CG 4.22Å; A751-L784 HydrophobicContact CB-CD1 4.37Å; A751-L784 HydrophobicContact CB-CD2 4.19Å; I780-L784 HydrophobicContact CD1-CD1 4.13Å; I780-L784 HydrophobicContact CD1-CG 4.5Å; I780-L784 HydrophobicContact CG1-CD1 4.05Å; I780-L784 PolarHBondContact O-N 3.37Å; I780-L784 VanDerWaalsContact O-N 3.08Å; L784-T787 VanDerWaalsContact CB-OG1 3.26Å; L784-T787 WeakPolarHBondContact CB-OG1 3.31Å; L784-R789 PolarHBondContact O-NH2 3.47Å; L784-Q860 HydrophobicContact CD1-CB 3.92Å; L784-Q860 HydrophobicContact CD1-CG 4.09Å |
| 785 | E | 84.6 | Confident | 90.1 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -70.5 | -73.9 | 174.5 | -65.8 | -173.2 | 122.7 | 0 | 0 | 111.5 | R706 K747 F748 A749 T787 | R706-E785 VanDerWaalsContact CD-OE1 3.23Å; R706-E785 WeakPolarHBondContact CD-OE1 3.08Å; R706-E785 IonicContact CZ-OE1 2.79Å; R706-E785 IonicContact CZ-OE2 3.09Å; R706-E785 IonicContact NE-OE1 2.71Å; R706-E785 PolarHBondContact NE-OE1 2.67Å; R706-E785 IonicContact NE-OE2 2.88Å; R706-E785 PolarHBondContact NE-OE2 2.88Å; R706-E785 IonicContact NH2-OE1 3.16Å; R706-E785 IonicContact NH2-OE2 3.56Å; R706-E785 PolarHBondContact NH2-OE2 3.44Å; K747-E785 HydrophobicContact CB-CG 3.4Å; K747-E785 HydrophobicContact CG-CG 4.06Å; F748-E785 PolarHBondContact O-N 2.76Å; A749-E785 WeakPolarHBondContact CA-OE2 3.39Å; E785-T787 VanDerWaalsContact C-N 3.27Å; E785-T787 PolarHBondContact O-N 3.35Å; E785-T787 VanDerWaalsContact O-N 3.08Å |
| 786 | D | 78.9 | Confident | 89.6 | Confident | 91 Ų | 91 | 35.2 Ų | 35.2 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -87 | 30.4 | -165.3 | -64.7 | -27.7 | 0 | 0 | 0 | 114.7 | S842 | D786-S842 WeakPolarHBondContact OD1-CB 3.06Å; D786-S842 PolarHBondContact OD1-OG 3.16Å |
| 787 | T | 82.3 | Confident | 89.3 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 18% | 0.184 | 20% | 0.196 | C | C | . | . | trans | -103 | 130.8 | -175.6 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | T781 L784 E785 R789 | T781-T787 HydrophobicContact CG2-CG2 3.84Å; L784-T787 VanDerWaalsContact CB-OG1 3.26Å; L784-T787 WeakPolarHBondContact CB-OG1 3.31Å; E785-T787 VanDerWaalsContact C-N 3.27Å; E785-T787 PolarHBondContact O-N 3.35Å; E785-T787 VanDerWaalsContact O-N 3.08Å; T787-R789 WeakPolarHBondContact O-CG 3.43Å; T787-R789 PolarHBondContact O-N 3.31Å | ||
| 788 | P | 84.7 | Confident | 89.1 | Confident | 21 Ų | 21 | 30.1 Ų | 30.1 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | trans | -71.2 | 118.9 | -179.8 | 29.5 | -35.6 | 0 | 0 | 0 | 111.5 | L797 L847 F857 P858 | P788-L797 HydrophobicContact CB-CD1 4.12Å; P788-L847 HydrophobicContact CB-CD1 3.64Å; P788-L847 HydrophobicContact CG-CD1 3.68Å; P788-F857 HydrophobicContact CB-CD1 4.17Å; P788-F857 HydrophobicContact CB-CE1 4.45Å; P788-F857 WeakPolarHBondContact O-CD1 3.38Å; P788-P858 HydrophobicContact CG-CG 4.45Å | ||
| 789 | R | 88.1 | Confident | 88.9 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | trans | -109.6 | 156.1 | -173.2 | -44.1 | -170.3 | -166.3 | 147 | 11.8 | 113.5 | T781 D782 L784 T787 A798 E801 Q818 | T781-R789 PolarHBondContact O-NE 2.78Å; D782-R789 VanDerWaalsContact O-CZ 3.23Å; D782-R789 PolarHBondContact O-NH1 2.94Å; D782-R789 PolarHBondContact O-NH2 2.82Å; L784-R789 PolarHBondContact O-NH2 3.47Å; T787-R789 WeakPolarHBondContact O-CG 3.43Å; T787-R789 PolarHBondContact O-N 3.31Å; R789-A798 HydrophobicContact CB-CB 4.36Å; R789-A798 WeakPolarHBondContact O-CB 3.49Å; R789-A798 PolarHBondContact O-N 2.86Å; R789-E801 IonicContact CZ-OE2 2.8Å; R789-E801 IonicContact NH1-OE1 2.66Å; R789-E801 IonicContact NH1-OE2 2.92Å; R789-E801 PolarHBondContact NH1-OE2 3.43Å; R789-E801 IonicContact NH2-OE1 3.98Å; R789-E801 IonicContact NH2-OE2 3.63Å; R789-Q818 HydrophobicContact CB-CG 4.38Å | ||
| 790 | E | 89.1 | Confident | 88.8 | Confident | 90 Ų | 90 | 33 Ų | 33 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | B | Isolated β-bridge | trans | -82.4 | 132.8 | 177.3 | -170.7 | -177.6 | -159.8 | 0 | 0 | 112.4 | R792 G795 Q818 F857 | E790-R792 PolarHBondContact O-N 2.78Å; E790-G795 WeakPolarHBondContact OE1-CA 3.38Å; E790-Q818 VanDerWaalsContact O-CG 3.28Å; E790-Q818 WeakPolarHBondContact O-CG 3.29Å; E790-Q818 PolarHBondContact O-NE2 2.68Å; E790-F857 HydrophobicContact CB-CD2 3.65Å; E790-F857 HydrophobicContact CB-CE2 4.06Å; E790-F857 HydrophobicContact CB-CG 4.38Å; E790-F857 HydrophobicContact CG-CD2 4Å; E790-F857 HydrophobicContact CG-CE2 4.12Å |
| 791 | C | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | trans | -70.4 | 120.6 | 172.2 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | I793 C794 G795 G796 Q818 C820 | C791-I793 PolarHBondContact O-N 3.48Å; C791-C794 PolarHBondContact O-N 2.93Å; C791-C794 VanDerWaalsContact SG-SG 3.61Å; C791-G795 PolarHBondContact O-N 3.45Å; C791-G796 WeakPolarHBondContact CB-O 3.38Å; C791-G796 PolarHBondContact N-O 2.8Å; C791-Q818 WeakPolarHBondContact CA-O 3.44Å; C791-C820 HydrophobicContact CB-CB 4.18Å; C791-C820 PolarHBondContact SG-N 3.45Å | ||
| 792 | R | 90.4 | Very high | 88.7 | Confident | 53 Ų | 53 | 35 Ų | 35 | 20% | 0.2 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -1.9 | -177.2 | -62.2 | -67 | 177.6 | -145 | 3.4 | 116.1 | D782 E790 I816 Q818 | D782-R792 IonicContact OD1-NH2 2.64Å; D782-R792 IonicContact OD2-CZ 2.64Å; D782-R792 IonicContact OD2-NH2 3.68Å; D782-R792 PolarHBondContact OD2-NH2 3.03Å; E790-R792 PolarHBondContact O-N 2.78Å; R792-I816 PolarHBondContact NE-O 3.34Å; R792-Q818 HydrophobicContact CG-CG 4.42Å; R792-Q818 PolarHBondContact N-O 2.91Å |
| 793 | I | 90.8 | Very high | 88.5 | Confident | 93 Ų | 93 | 39.7 Ų | 39.7 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -37.9 | -179.1 | -56 | -62.6 | 0 | 0 | 0 | 112.7 | C791 I811 F819 C823 V827 | C791-I793 PolarHBondContact O-N 3.48Å; I793-I811 HydrophobicContact CD1-CG2 3.87Å; I793-F819 HydrophobicContact CD1-CE1 4.29Å; I793-F819 HydrophobicContact CG1-CD1 3.89Å; I793-F819 HydrophobicContact CG1-CE1 3.91Å; I793-C823 HydrophobicContact CB-CB 4Å; I793-C823 HydrophobicContact CG1-CB 4.14Å; I793-C823 HydrophobicContact CG2-CB 4.31Å; I793-V827 HydrophobicContact CD1-CG2 4.33Å; I793-V827 HydrophobicContact CG1-CG2 4.28Å |
| 794 | C | 90.3 | Very high | 88.3 | Confident | 74 Ų | 74 | 43.9 Ų | 43.9 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 1.9 | -168.3 | 67.8 | 0 | 0 | 0 | 0 | 115.5 | C791 G796 C820 C823 | C791-C794 PolarHBondContact O-N 2.93Å; C791-C794 VanDerWaalsContact SG-SG 3.61Å; C794-G796 PolarHBondContact O-N 2.87Å; C794-G796 VanDerWaalsContact O-N 3.11Å; C794-C820 VanDerWaalsContact SG-SG 3.6Å; C794-C823 VanDerWaalsContact SG-SG 3.61Å |
| 795 | G | 87 | Confident | 88.3 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 68.5 | 3.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E790 C791 F857 | E790-G795 WeakPolarHBondContact OE1-CA 3.38Å; C791-G795 PolarHBondContact O-N 3.45Å; G795-F857 WeakPolarHBondContact O-CE2 3.26Å |
| 796 | G | 87.4 | Confident | 88.3 | Confident | 27 Ų | 27 | 43 Ų | 43 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -81.8 | 175 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C791 C794 A798 | C791-G796 WeakPolarHBondContact CB-O 3.38Å; C791-G796 PolarHBondContact N-O 2.8Å; C794-G796 PolarHBondContact O-N 2.87Å; C794-G796 VanDerWaalsContact O-N 3.11Å; G796-A798 PolarHBondContact O-N 2.81Å |
| 797 | L | 89.2 | Confident | 88.3 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 125.2 | 176.6 | 174.8 | 64.6 | 0 | 0 | 0 | 111.5 | P788 L799 C820 V843 F857 | P788-L797 HydrophobicContact CB-CD1 4.12Å; L797-L799 HydrophobicContact CD2-CD2 3.95Å; L797-L799 HydrophobicContact CG-CD2 4.08Å; L797-C820 WeakPolarHBondContact O-CA 3.13Å; L797-C820 WeakPolarHBondContact O-CB 3.44Å; L797-V843 HydrophobicContact CD1-CG1 4.13Å; L797-V843 HydrophobicContact CD2-CG1 4.24Å; L797-F857 HydrophobicContact CB-CE1 4.3Å; L797-F857 HydrophobicContact CB-CZ 4.12Å; L797-F857 HydrophobicContact CD1-CE1 3.92Å |
| 798 | A | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -77.8 | 137 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R789 G796 Q818 F819 L841 | R789-A798 HydrophobicContact CB-CB 4.36Å; R789-A798 WeakPolarHBondContact O-CB 3.49Å; R789-A798 PolarHBondContact O-N 2.86Å; G796-A798 PolarHBondContact O-N 2.81Å; A798-Q818 HydrophobicContact CB-CB 3.95Å; A798-Q818 HydrophobicContact CB-CG 3.87Å; A798-F819 WeakPolarHBondContact CA-O 3.04Å; A798-L841 HydrophobicContact CB-CD1 3.89Å | ||
| 799 | L | 90.6 | Very high | 88.1 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | trans | -122.2 | -10.6 | 177.2 | -61.4 | 177.6 | 0 | 0 | 0 | 112.2 | L797 F819 E821 K840 L841 V843 | L797-L799 HydrophobicContact CD2-CD2 3.95Å; L797-L799 HydrophobicContact CG-CD2 4.08Å; L799-F819 PolarHBondContact N-O 3.02Å; L799-E821 HydrophobicContact CD1-CB 4.46Å; L799-K840 WeakPolarHBondContact O-CA 3.5Å; L799-L841 PolarHBondContact O-N 2.96Å; L799-V843 HydrophobicContact CD2-CG2 4.17Å | ||
| 800 | Y | 91.7 | Very high | 87.9 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.1 | -178.2 | -60.6 | -93.7 | 0 | 0 | 0 | 110.1 | Q818 F819 E821 N824 H838 G839 K840 | Y800-Q818 CarbonylContact O-C 3.56Å; Y800-Q818 VanDerWaalsContact O-CA 3.22Å; Y800-Q818 WeakPolarHBondContact O-CA 3.41Å; Y800-Q818 WeakPolarHBondContact O-CB 3.17Å; Y800-F819 PolarHBondContact N-O 2.85Å; Y800-F819 PolarHBondContact O-N 3Å; Y800-E821 HydrophobicContact CE2-CB 3.81Å; Y800-E821 HydrophobicContact CE2-CG 3.92Å; Y800-E821 PolarHBondContact OH-OE1 3.47Å; Y800-N824 HydrophobicContact CD2-CB 4.02Å; Y800-N824 HydrophobicContact CG-CB 4.21Å; Y800-H838 AromaticContact CD1-ND1 3.81Å; Y800-G839 CarbonylContact C-O 3.52Å; Y800-G839 WeakPolarHBondContact CA-O 3.36Å; Y800-G839 WeakPolarHBondContact CB-O 3.33Å; Y800-K840 HydrophobicContact CD1-CG 3.79Å; Y800-K840 HydrophobicContact CE1-CD 4.2Å; Y800-K840 HydrophobicContact CE1-CG 3.49Å; Y800-K840 VanDerWaalsContact CE1-CG 3.49Å; Y800-K840 WeakPolarHBondContact OH-CE 3.47Å |
| 801 | E | 91.5 | Very high | 87.6 | Confident | 43 Ų | 43 | 49 Ų | 49 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.4 | 166.5 | 69.8 | -178.3 | 150 | 0 | 0 | 110.8 | K747 R789 K817 Q818 H838 G839 L841 | K747-E801 WeakPolarHBondContact CE-OE1 3.41Å; K747-E801 IonicContact NZ-OE1 2.73Å; K747-E801 PolarHBondContact NZ-OE1 3.04Å; K747-E801 IonicContact NZ-OE2 3.82Å; K747-E801 PolarHBondContact NZ-OE2 3.26Å; R789-E801 IonicContact CZ-OE2 2.8Å; R789-E801 IonicContact NH1-OE1 2.66Å; R789-E801 IonicContact NH1-OE2 2.92Å; R789-E801 PolarHBondContact NH1-OE2 3.43Å; R789-E801 IonicContact NH2-OE1 3.98Å; R789-E801 IonicContact NH2-OE2 3.63Å; E801-K817 WeakPolarHBondContact CA-O 3.34Å; E801-Q818 HydrophobicContact CB-CB 4.16Å; E801-H838 CarbonylContact O-C 3.54Å; E801-H838 WeakPolarHBondContact O-CA 3.33Å; E801-G839 PolarHBondContact N-O 3.49Å; E801-G839 PolarHBondContact O-N 3.44Å; E801-L841 HydrophobicContact CB-CD2 3.96Å; E801-L841 HydrophobicContact CB-CG 4.35Å; E801-L841 VanDerWaalsContact CD-CD2 3.46Å; E801-L841 HydrophobicContact CG-CD2 3.7Å; E801-L841 HydrophobicContact CG-CG 4.43Å; E801-L841 WeakPolarHBondContact OE1-CD2 3.3Å |
| 802 | C | 91.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | trans | -134.8 | 111.3 | 179.9 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | C805 K817 F819 R837 H838 | C802-C805 HydrophobicContact CB-CB 4.03Å; C802-C805 PolarHBondContact O-N 2.88Å; C802-K817 PolarHBondContact N-O 3.32Å; C802-F819 HydrophobicContact CB-CE2 4.45Å; C802-R837 PolarHBondContact SG-O 3.1Å; C802-R837 VanDerWaalsContact SG-O 3.39Å; C802-H838 HydrophobicContact CB-CB 3.99Å | ||
| 803 | R | 86.9 | Confident | 86.6 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 43% | 0.426 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -60.1 | -46.5 | 176.4 | 172.8 | 170 | 171.3 | 162.7 | 3.8 | 112.2 | I742 N743 D745 C805 Y806 | I742-R803 HydrophobicContact CG2-CG 4.16Å; I742-R803 PolarHBondContact O-NE 2.78Å; I742-R803 PolarHBondContact O-NH1 2.79Å; I742-R803 PolarHBondContact O-NH2 2.98Å; N743-R803 PolarHBondContact O-NH1 3.24Å; N743-R803 PolarHBondContact O-NH2 3.35Å; D745-R803 IonicContact OD1-CZ 3.43Å; D745-R803 IonicContact OD1-NH1 3.91Å; D745-R803 PolarHBondContact OD1-NH1 2.96Å; R803-C805 VanDerWaalsContact C-N 3.25Å; R803-C805 PolarHBondContact O-N 3.41Å; R803-Y806 WeakPolarHBondContact O-CB 3.33Å; R803-Y806 PolarHBondContact O-N 3.25Å |
| 804 | E | 88.2 | Confident | 85.9 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -64.6 | -28.1 | -179.5 | -67.2 | 168.7 | -107 | 0 | 0 | 112.9 | Y806 H836 R837 | E804-Y806 PolarHBondContact O-N 3.06Å; E804-H836 HydrophobicContact CB-CB 3.9Å; E804-H836 WeakPolarHBondContact OE2-CA 3.22Å; E804-H836 IonicContact OE2-CD2 3.66Å; E804-H836 PolarHBondContact OE2-CD2 2.84Å; E804-H836 IonicContact OE2-CG 3.65Å; E804-R837 WeakPolarHBondContact OE1-CB 3.4Å; E804-R837 PolarHBondContact OE1-N 3.41Å |
| 805 | C | 89.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -70.4 | -13.7 | 172 | -69.4 | 0 | 0 | 0 | 0 | 113.1 | C802 R803 E807 D808 K817 H836 | C802-C805 HydrophobicContact CB-CB 4.03Å; C802-C805 PolarHBondContact O-N 2.88Å; R803-C805 VanDerWaalsContact C-N 3.25Å; R803-C805 PolarHBondContact O-N 3.41Å; C805-E807 VanDerWaalsContact C-N 3.31Å; C805-E807 PolarHBondContact O-N 2.81Å; C805-D808 WeakPolarHBondContact O-CB 3.06Å; C805-D808 PolarHBondContact O-N 2.94Å; C805-K817 VanDerWaalsContact C-CG 3.49Å; C805-K817 HydrophobicContact CB-CB 3.84Å; C805-K817 HydrophobicContact CB-CG 3.7Å; C805-K817 WeakPolarHBondContact O-CE 3.39Å; C805-K817 VanDerWaalsContact O-CG 3.31Å; C805-K817 WeakPolarHBondContact O-CG 3.48Å; C805-H836 PolarHBondContact SG-ND1 3.3Å |
| 806 | Y | 84.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 51 Ų | 51 | 8% | 0.078 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -58.1 | -41.3 | -174.1 | -177.5 | -98.8 | 0 | 0 | 0 | 113.1 | W739 I742 R803 E804 D808 G814 K815 I816 K817 | W739-Y806 AromaticContact CD1-CE1 3.69Å; W739-Y806 AromaticContact CD1-CZ 3.77Å; W739-Y806 AromaticContact NE1-CE1 3.71Å; W739-Y806 AromaticContact NE1-CZ 3.74Å; W739-Y806 PolarHBondContact NE1-OH 3.14Å; I742-Y806 HydrophobicContact CD1-CD1 4.07Å; I742-Y806 HydrophobicContact CD1-CD2 3.47Å; I742-Y806 VanDerWaalsContact CD1-CD2 3.47Å; I742-Y806 HydrophobicContact CD1-CE1 4.02Å; I742-Y806 HydrophobicContact CD1-CE2 3.39Å; I742-Y806 HydrophobicContact CD1-CG 3.82Å; R803-Y806 WeakPolarHBondContact O-CB 3.33Å; R803-Y806 PolarHBondContact O-N 3.25Å; E804-Y806 PolarHBondContact O-N 3.06Å; Y806-D808 PolarHBondContact O-N 3.38Å; Y806-G814 WeakPolarHBondContact CE2-O 3.32Å; Y806-G814 PolarHBondContact OH-O 2.96Å; Y806-K815 WeakPolarHBondContact CD2-O 3.43Å; Y806-K815 VanDerWaalsContact CE2-C 3.46Å; Y806-I816 HydrophobicContact CD2-CG1 4.4Å; Y806-I816 HydrophobicContact CE2-CG1 4.34Å; Y806-K817 WeakPolarHBondContact O-CE 3.42Å; Y806-K817 PolarHBondContact O-NZ 3.29Å |
| 807 | E | 79.8 | Confident | 85.9 | Confident | 173 Ų | 173 | 49.8 Ų | 49.8 | 81% | 0.808 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -73.3 | -9.4 | 178.2 | -53.2 | -163.6 | 149.1 | 0 | 0 | 113.3 | C805 G809 | C805-E807 VanDerWaalsContact C-N 3.31Å; C805-E807 PolarHBondContact O-N 2.81Å; E807-G809 PolarHBondContact O-N 2.82Å; E807-G809 VanDerWaalsContact O-N 3.13Å |
| 808 | D | 82.3 | Confident | 86.1 | Confident | 14 Ų | 14 | 48 Ų | 48 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | trans | -72.8 | 104.2 | 176.7 | -159.3 | -52.6 | 0 | 0 | 0 | 110.4 | C805 Y806 D810 K817 R833 | C805-D808 WeakPolarHBondContact O-CB 3.06Å; C805-D808 PolarHBondContact O-N 2.94Å; Y806-D808 PolarHBondContact O-N 3.38Å; D808-D810 VanDerWaalsContact C-N 3.27Å; D808-D810 PolarHBondContact O-N 2.88Å; D808-D810 VanDerWaalsContact OD1-CB 3.24Å; D808-D810 WeakPolarHBondContact OD1-CB 3.5Å; D808-D810 PolarHBondContact OD1-N 2.9Å; D808-K817 WeakPolarHBondContact O-CE 3.37Å; D808-R833 VanDerWaalsContact CG-NH1 3.35Å; D808-R833 IonicContact OD1-NH1 3.36Å; D808-R833 PolarHBondContact OD1-NH1 3.47Å; D808-R833 VanDerWaalsContact OD2-CD 3.27Å; D808-R833 WeakPolarHBondContact OD2-CD 3.27Å; D808-R833 IonicContact OD2-CZ 3.76Å; D808-R833 IonicContact OD2-NE 3.69Å; D808-R833 IonicContact OD2-NH1 2.69Å; D808-R833 PolarHBondContact OD2-NH1 3.25Å | ||
| 809 | G | 80.1 | Confident | 86.2 | Confident | 49 Ų | 49 | 48 Ų | 48 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | E807 I811 | E807-G809 PolarHBondContact O-N 2.82Å; E807-G809 VanDerWaalsContact O-N 3.13Å; G809-I811 PolarHBondContact O-N 3.42Å |
| 810 | D | 84.5 | Confident | 86.3 | Confident | 112 Ų | 112 | 46.5 Ų | 46.5 | 60% | 0.599 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.5 | -177.3 | -48 | -26.5 | 0 | 0 | 0 | 111.1 | D808 R832 R833 | D808-D810 VanDerWaalsContact C-N 3.27Å; D808-D810 PolarHBondContact O-N 2.88Å; D808-D810 VanDerWaalsContact OD1-CB 3.24Å; D808-D810 WeakPolarHBondContact OD1-CB 3.5Å; D808-D810 PolarHBondContact OD1-N 2.9Å; D810-R832 IonicContact OD2-NH1 3.27Å; D810-R832 PolarHBondContact OD2-NH1 2.93Å; D810-R833 IonicContact OD2-NH1 3.94Å |
| 811 | I | 83 | Confident | 86.3 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 85.9 | -177.5 | -53.2 | 178.7 | 0 | 0 | 0 | 110.4 | I793 G809 K817 F819 V827 | I793-I811 HydrophobicContact CD1-CG2 3.87Å; G809-I811 PolarHBondContact O-N 3.42Å; I811-K817 HydrophobicContact CB-CD 4.48Å; I811-K817 HydrophobicContact CG2-CD 4.28Å; I811-K817 WeakPolarHBondContact O-CD 3.31Å; I811-K817 WeakPolarHBondContact O-CE 3.46Å; I811-K817 PolarHBondContact O-NZ 2.88Å; I811-K817 VanDerWaalsContact O-NZ 3.09Å; I811-F819 HydrophobicContact CG2-CE1 4.12Å; I811-F819 HydrophobicContact CG2-CZ 4.3Å; I811-V827 HydrophobicContact CD1-CB 4.42Å; I811-V827 HydrophobicContact CD1-CG1 3.58Å; I811-V827 HydrophobicContact CD1-CG2 3.98Å |
| 812 | T | 79.3 | Confident | 86.5 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 71.1 | 175.7 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | K815 K817 | T812-K815 PolarHBondContact O-N 3.35Å; T812-K817 PolarHBondContact O-NZ 3.42Å |
| 813 | A | 80.3 | Confident | 86.6 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 56% | 0.562 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | 145.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | K815 | A813-K815 PolarHBondContact O-N 3.05Å; A813-K815 VanDerWaalsContact O-N 3.14Å |
| 814 | G | 76.1 | Confident | 87 | Confident | 46 Ų | 46 | 52 Ų | 52 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -11.1 | 176 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y806 | Y806-G814 WeakPolarHBondContact CE2-O 3.32Å; Y806-G814 PolarHBondContact OH-O 2.96Å |
| 815 | K | 85.3 | Confident | 87.3 | Confident | 110 Ų | 110 | 51.3 Ų | 51.3 | 48% | 0.478 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -103.4 | 154.5 | -179.4 | -63.5 | -176.3 | -179.6 | 178.1 | 0 | 113.6 | Y806 T812 A813 K817 | Y806-K815 WeakPolarHBondContact CD2-O 3.43Å; Y806-K815 VanDerWaalsContact CE2-C 3.46Å; T812-K815 PolarHBondContact O-N 3.35Å; A813-K815 PolarHBondContact O-N 3.05Å; A813-K815 VanDerWaalsContact O-N 3.14Å; K815-K817 WeakPolarHBondContact O-CD 3.2Å; K815-K817 PolarHBondContact O-NZ 3.04Å |
| 816 | I | 88.2 | Confident | 87.5 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | trans | -57.5 | 133.6 | 169.2 | -69.5 | 170.1 | 0 | 0 | 0 | 110.4 | E738 I742 D782 L783 R792 Y806 | E738-I816 HydrophobicContact CG-CD1 4.39Å; I742-I816 HydrophobicContact CD1-CD1 4.42Å; I742-I816 HydrophobicContact CD1-CG1 3.93Å; I742-I816 HydrophobicContact CG1-CG1 4.39Å; D782-I816 HydrophobicContact CB-CB 4.05Å; D782-I816 HydrophobicContact CB-CD1 3.76Å; D782-I816 HydrophobicContact CB-CG1 4.46Å; D782-I816 HydrophobicContact CB-CG2 4.2Å; L783-I816 HydrophobicContact CD2-CD1 3.62Å; R792-I816 PolarHBondContact NE-O 3.34Å; Y806-I816 HydrophobicContact CD2-CG1 4.4Å; Y806-I816 HydrophobicContact CE2-CG1 4.34Å | ||
| 817 | K | 91 | Very high | 87.8 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | trans | -99.1 | 112.3 | -173.1 | -48.5 | -63 | -170 | -122 | 0 | 110.1 | E801 C802 C805 Y806 D808 I811 T812 K815 F819 | E801-K817 WeakPolarHBondContact CA-O 3.34Å; C802-K817 PolarHBondContact N-O 3.32Å; C805-K817 VanDerWaalsContact C-CG 3.49Å; C805-K817 HydrophobicContact CB-CB 3.84Å; C805-K817 HydrophobicContact CB-CG 3.7Å; C805-K817 WeakPolarHBondContact O-CE 3.39Å; C805-K817 VanDerWaalsContact O-CG 3.31Å; C805-K817 WeakPolarHBondContact O-CG 3.48Å; Y806-K817 WeakPolarHBondContact O-CE 3.42Å; Y806-K817 PolarHBondContact O-NZ 3.29Å; D808-K817 WeakPolarHBondContact O-CE 3.37Å; I811-K817 HydrophobicContact CB-CD 4.48Å; I811-K817 HydrophobicContact CG2-CD 4.28Å; I811-K817 WeakPolarHBondContact O-CD 3.31Å; I811-K817 WeakPolarHBondContact O-CE 3.46Å; I811-K817 PolarHBondContact O-NZ 2.88Å; I811-K817 VanDerWaalsContact O-NZ 3.09Å; T812-K817 PolarHBondContact O-NZ 3.42Å; K815-K817 WeakPolarHBondContact O-CD 3.2Å; K815-K817 PolarHBondContact O-NZ 3.04Å; K817-F819 HydrophobicContact CB-CE2 4.09Å; K817-F819 HydrophobicContact CB-CZ 3.85Å | ||
| 818 | Q | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.2 | -179.6 | 66.6 | -142.9 | 0.1 | 0 | 0 | 111.5 | D782 R789 E790 C791 R792 A798 Y800 E801 L841 | D782-Q818 VanDerWaalsContact CG-NE2 3.28Å; D782-Q818 PolarHBondContact OD1-NE2 3.09Å; D782-Q818 PolarHBondContact OD1-OE1 3.44Å; D782-Q818 PolarHBondContact OD2-NE2 3.24Å; R789-Q818 HydrophobicContact CB-CG 4.38Å; E790-Q818 VanDerWaalsContact O-CG 3.28Å; E790-Q818 WeakPolarHBondContact O-CG 3.29Å; E790-Q818 PolarHBondContact O-NE2 2.68Å; C791-Q818 WeakPolarHBondContact CA-O 3.44Å; R792-Q818 HydrophobicContact CG-CG 4.42Å; R792-Q818 PolarHBondContact N-O 2.91Å; A798-Q818 HydrophobicContact CB-CB 3.95Å; A798-Q818 HydrophobicContact CB-CG 3.87Å; Y800-Q818 CarbonylContact O-C 3.56Å; Y800-Q818 VanDerWaalsContact O-CA 3.22Å; Y800-Q818 WeakPolarHBondContact O-CA 3.41Å; Y800-Q818 WeakPolarHBondContact O-CB 3.17Å; E801-Q818 HydrophobicContact CB-CB 4.16Å; Q818-L841 HydrophobicContact CB-CD1 4.34Å |
| 819 | F | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.1 | -160.3 | -54.2 | -61.4 | 0 | 0 | 0 | 111.8 | I793 A798 L799 Y800 C802 I811 K817 C823 N824 V827 | I793-F819 HydrophobicContact CD1-CE1 4.29Å; I793-F819 HydrophobicContact CG1-CD1 3.89Å; I793-F819 HydrophobicContact CG1-CE1 3.91Å; A798-F819 WeakPolarHBondContact CA-O 3.04Å; L799-F819 PolarHBondContact N-O 3.02Å; Y800-F819 PolarHBondContact N-O 2.85Å; Y800-F819 PolarHBondContact O-N 3Å; C802-F819 HydrophobicContact CB-CE2 4.45Å; I811-F819 HydrophobicContact CG2-CE1 4.12Å; I811-F819 HydrophobicContact CG2-CZ 4.3Å; K817-F819 HydrophobicContact CB-CE2 4.09Å; K817-F819 HydrophobicContact CB-CZ 3.85Å; F819-C823 HydrophobicContact CB-CB 4.4Å; F819-N824 HydrophobicContact CB-CB 3.77Å; F819-V827 HydrophobicContact CD1-CG2 4.26Å; F819-V827 HydrophobicContact CE1-CG1 4.49Å; F819-V827 HydrophobicContact CE1-CG2 3.87Å; F819-V827 HydrophobicContact CE2-CG1 4.04Å; F819-V827 HydrophobicContact CZ-CB 4.36Å; F819-V827 HydrophobicContact CZ-CG1 3.85Å; F819-V827 HydrophobicContact CZ-CG2 4.08Å |
| 820 | C | 92.8 | Very high | 89.7 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | trans | -68.5 | 160 | 159.9 | 79.1 | 0 | 0 | 0 | 0 | 109 | C791 C794 L797 K822 C823 N824 | C791-C820 HydrophobicContact CB-CB 4.18Å; C791-C820 PolarHBondContact SG-N 3.45Å; C794-C820 VanDerWaalsContact SG-SG 3.6Å; L797-C820 WeakPolarHBondContact O-CA 3.13Å; L797-C820 WeakPolarHBondContact O-CB 3.44Å; C820-K822 VanDerWaalsContact C-N 3.3Å; C820-K822 PolarHBondContact O-N 2.9Å; C820-C823 PolarHBondContact O-N 2.92Å; C820-C823 VanDerWaalsContact O-N 3.1Å; C820-N824 WeakPolarHBondContact O-CB 3.24Å; C820-N824 PolarHBondContact O-N 3.07Å | ||
| 821 | E | 93 | Very high | 90 | Very high | 103 Ų | 103 | 55.7 Ų | 55.7 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -52.1 | -44.5 | -174.6 | -174.3 | 161.4 | -106.9 | 0 | 0 | 114.1 | L799 Y800 N824 T825 | L799-E821 HydrophobicContact CD1-CB 4.46Å; Y800-E821 HydrophobicContact CE2-CB 3.81Å; Y800-E821 HydrophobicContact CE2-CG 3.92Å; Y800-E821 PolarHBondContact OH-OE1 3.47Å; E821-N824 PolarHBondContact O-N 3.28Å; E821-T825 PolarHBondContact O-N 2.89Å; E821-T825 VanDerWaalsContact O-N 3.13Å; E821-T825 PolarHBondContact O-OG1 3.02Å |
| 822 | K | 94.3 | Very high | 90.3 | Very high | 175 Ų | 175 | 63 Ų | 63 | 76% | 0.761 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.6 | -46.5 | 179.2 | -64.2 | -178.5 | -178.9 | 178.5 | 0 | 111.9 | C820 T825 Q826 | C820-K822 VanDerWaalsContact C-N 3.3Å; C820-K822 PolarHBondContact O-N 2.9Å; K822-T825 PolarHBondContact O-N 2.85Å; K822-Q826 WeakPolarHBondContact O-CG 3.32Å; K822-Q826 PolarHBondContact O-N 3.37Å |
| 823 | C | 94.7 | Very high | 90.9 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 12% | 0.122 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.8 | -34.6 | 179.3 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | I793 C794 F819 C820 Q826 V827 | I793-C823 HydrophobicContact CB-CB 4Å; I793-C823 HydrophobicContact CG1-CB 4.14Å; I793-C823 HydrophobicContact CG2-CB 4.31Å; C794-C823 VanDerWaalsContact SG-SG 3.61Å; F819-C823 HydrophobicContact CB-CB 4.4Å; C820-C823 PolarHBondContact O-N 2.92Å; C820-C823 VanDerWaalsContact O-N 3.1Å; C823-Q826 PolarHBondContact O-N 3.25Å; C823-V827 WeakPolarHBondContact O-CB 3.25Å; C823-V827 VanDerWaalsContact O-CG2 3.3Å; C823-V827 WeakPolarHBondContact O-CG2 3.36Å; C823-V827 PolarHBondContact O-N 3.49Å |
| 824 | N | 94.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.5 | -51.3 | 174.4 | -174.2 | 67.7 | 0 | 0 | 0 | 110.5 | Y800 F819 C820 E821 Q826 V827 H828 H838 | Y800-N824 HydrophobicContact CD2-CB 4.02Å; Y800-N824 HydrophobicContact CG-CB 4.21Å; F819-N824 HydrophobicContact CB-CB 3.77Å; C820-N824 WeakPolarHBondContact O-CB 3.24Å; C820-N824 PolarHBondContact O-N 3.07Å; E821-N824 PolarHBondContact O-N 3.28Å; N824-Q826 PolarHBondContact O-N 3.03Å; N824-V827 PolarHBondContact O-N 2.86Å; N824-H828 PolarHBondContact O-N 3Å; N824-H828 VanDerWaalsContact O-N 3.13Å; N824-H828 PolarHBondContact O-ND1 2.82Å; N824-H828 PolarHBondContact OD1-CE1 3.03Å; N824-H828 PolarHBondContact OD1-ND1 2.84Å; N824-H838 PolarHBondContact ND2-CD2 2.82Å; N824-H838 PolarHBondContact ND2-CE1 3.36Å; N824-H838 PolarHBondContact ND2-NE2 2.77Å; N824-H838 PolarHBondContact OD1-CD2 2.85Å |
| 825 | T | 93.8 | Very high | 92.1 | Very high | 76 Ų | 76 | 67.8 Ų | 67.8 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 112 | E821 K822 H828 L829 | E821-T825 PolarHBondContact O-N 2.89Å; E821-T825 VanDerWaalsContact O-N 3.13Å; E821-T825 PolarHBondContact O-OG1 3.02Å; K822-T825 PolarHBondContact O-N 2.85Å; T825-H828 PolarHBondContact O-N 2.85Å; T825-L829 HydrophobicContact CG2-CD1 4.23Å; T825-L829 HydrophobicContact CG2-CG 4.46Å; T825-L829 VanDerWaalsContact O-CG 3.3Å; T825-L829 WeakPolarHBondContact O-CG 3.4Å; T825-L829 PolarHBondContact O-N 3Å |
| 826 | Q | 93.1 | Very high | 92.5 | Very high | 135 Ų | 135 | 64.5 Ų | 64.5 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | -179.6 | -65.4 | -59.5 | -32.6 | 0 | 0 | 113.1 | K822 C823 N824 H828 L829 | K822-Q826 WeakPolarHBondContact O-CG 3.32Å; K822-Q826 PolarHBondContact O-N 3.37Å; C823-Q826 PolarHBondContact O-N 3.25Å; N824-Q826 PolarHBondContact O-N 3.03Å; Q826-H828 VanDerWaalsContact C-N 3.34Å; Q826-H828 PolarHBondContact O-N 2.93Å; Q826-L829 PolarHBondContact O-N 3.24Å |
| 827 | V | 93.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 74.1 Ų | 74.1 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 177.4 | 165.8 | 0 | 0 | 0 | 0 | 111.7 | I793 I811 F819 C823 N824 H830 R833 | I793-V827 HydrophobicContact CD1-CG2 4.33Å; I793-V827 HydrophobicContact CG1-CG2 4.28Å; I811-V827 HydrophobicContact CD1-CB 4.42Å; I811-V827 HydrophobicContact CD1-CG1 3.58Å; I811-V827 HydrophobicContact CD1-CG2 3.98Å; F819-V827 HydrophobicContact CD1-CG2 4.26Å; F819-V827 HydrophobicContact CE1-CG1 4.49Å; F819-V827 HydrophobicContact CE1-CG2 3.87Å; F819-V827 HydrophobicContact CE2-CG1 4.04Å; F819-V827 HydrophobicContact CZ-CB 4.36Å; F819-V827 HydrophobicContact CZ-CG1 3.85Å; F819-V827 HydrophobicContact CZ-CG2 4.08Å; C823-V827 WeakPolarHBondContact O-CB 3.25Å; C823-V827 VanDerWaalsContact O-CG2 3.3Å; C823-V827 WeakPolarHBondContact O-CG2 3.36Å; C823-V827 PolarHBondContact O-N 3.49Å; N824-V827 PolarHBondContact O-N 2.86Å; V827-H830 WeakPolarHBondContact O-CB 3.03Å; V827-R833 PolarHBondContact O-NE 2.67Å |
| 828 | H | 94.5 | Very high | 92.5 | Very high | 18 Ų | 18 | 77.4 Ų | 77.4 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -90 | -5.5 | -176.6 | -61.9 | 91.6 | 0 | 0 | 0 | 114.3 | N824 T825 Q826 R833 K834 H838 | N824-H828 PolarHBondContact O-N 3Å; N824-H828 VanDerWaalsContact O-N 3.13Å; N824-H828 PolarHBondContact O-ND1 2.82Å; N824-H828 PolarHBondContact OD1-CE1 3.03Å; N824-H828 PolarHBondContact OD1-ND1 2.84Å; T825-H828 PolarHBondContact O-N 2.85Å; Q826-H828 VanDerWaalsContact C-N 3.34Å; Q826-H828 PolarHBondContact O-N 2.93Å; H828-R833 PolarHBondContact CD2-O 2.57Å; H828-K834 VanDerWaalsContact O-CA 3.23Å; H828-K834 WeakPolarHBondContact O-CA 3.49Å; H828-H838 AromaticContact CE1-CD2 3.73Å; H828-H838 AromaticContact CG-CD2 3.88Å; H828-H838 AromaticContact ND1-CD2 3.71Å; H828-H838 AromaticContact NE2-CD2 3.92Å |
| 829 | L | 93.9 | Very high | 92.2 | Very high | 112 Ų | 112 | 79.3 Ų | 79.3 | 59% | 0.586 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.7 | -20.2 | 163.6 | -80.4 | 169.8 | 0 | 0 | 0 | 112.2 | T825 Q826 | T825-L829 HydrophobicContact CG2-CD1 4.23Å; T825-L829 HydrophobicContact CG2-CG 4.46Å; T825-L829 VanDerWaalsContact O-CG 3.3Å; T825-L829 WeakPolarHBondContact O-CG 3.4Å; T825-L829 PolarHBondContact O-N 3Å; Q826-L829 PolarHBondContact O-N 3.24Å |
| 830 | H | 92.5 | Very high | 92 | Very high | 71 Ų | 71 | 86.7 Ų | 86.7 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -67 | 133 | -179.7 | -171.5 | -112.1 | 0 | 0 | 0 | 112 | V827 R832 R833 K834 | V827-H830 WeakPolarHBondContact O-CB 3.03Å; H830-R832 VanDerWaalsContact C-N 3.31Å; H830-R832 PolarHBondContact O-N 3.38Å; H830-R832 VanDerWaalsContact O-N 3.14Å; H830-R833 HydrophobicContact CB-CB 4.5Å; H830-R833 PolarHBondContact ND1-NH2 3.13Å; H830-R833 PolarHBondContact O-N 3.03Å; H830-K834 PolarHBondContact O-N 3.37Å |
| 831 | P | 91.4 | Very high | 91.7 | Very high | 113 Ų | 113 | 86.7 Ų | 86.7 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -40.2 | -173.3 | -30.3 | 36.4 | 0 | 0 | 0 | 115.1 | R833 | P831-R833 VanDerWaalsContact C-N 3.26Å; P831-R833 PolarHBondContact O-N 2.71Å |
| 832 | R | 89.7 | Confident | 91.1 | Very high | 168 Ų | 168 | 84.4 Ų | 84.4 | 63% | 0.634 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23 | 177.9 | -65.9 | 174.5 | 69.4 | -156.9 | 3.5 | 113.8 | D810 H830 | D810-R832 IonicContact OD2-NH1 3.27Å; D810-R832 PolarHBondContact OD2-NH1 2.93Å; H830-R832 VanDerWaalsContact C-N 3.31Å; H830-R832 PolarHBondContact O-N 3.38Å; H830-R832 VanDerWaalsContact O-N 3.14Å |
| 833 | R | 91.3 | Very high | 90.3 | Very high | 25 Ų | 25 | 76.7 Ų | 76.7 | 9% | 0.094 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -6.2 | -171.6 | -65.1 | -178.2 | -80 | -100.2 | 7 | 113.8 | D808 D810 V827 H828 H830 P831 A835 H836 | D808-R833 VanDerWaalsContact CG-NH1 3.35Å; D808-R833 IonicContact OD1-NH1 3.36Å; D808-R833 PolarHBondContact OD1-NH1 3.47Å; D808-R833 VanDerWaalsContact OD2-CD 3.27Å; D808-R833 WeakPolarHBondContact OD2-CD 3.27Å; D808-R833 IonicContact OD2-CZ 3.76Å; D808-R833 IonicContact OD2-NE 3.69Å; D808-R833 IonicContact OD2-NH1 2.69Å; D808-R833 PolarHBondContact OD2-NH1 3.25Å; D810-R833 IonicContact OD2-NH1 3.94Å; V827-R833 PolarHBondContact O-NE 2.67Å; H828-R833 PolarHBondContact CD2-O 2.57Å; H830-R833 HydrophobicContact CB-CB 4.5Å; H830-R833 PolarHBondContact ND1-NH2 3.13Å; H830-R833 PolarHBondContact O-N 3.03Å; P831-R833 VanDerWaalsContact C-N 3.26Å; P831-R833 PolarHBondContact O-N 2.71Å; R833-A835 PolarHBondContact O-N 2.63Å; R833-H836 WeakPolarHBondContact O-CB 3.44Å; R833-H836 PolarHBondContact O-N 3.04Å |
| 834 | K | 90.8 | Very high | 89.3 | Confident | 159 Ų | 159 | 78.1 Ų | 78.1 | 69% | 0.691 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -20.3 | -175.8 | -175 | 176.1 | 175.5 | -176.2 | 0 | 114.6 | H828 H830 | H828-K834 VanDerWaalsContact O-CA 3.23Å; H828-K834 WeakPolarHBondContact O-CA 3.49Å; H830-K834 PolarHBondContact O-N 3.37Å |
| 835 | A | 91.5 | Very high | 87.9 | Confident | 92 Ų | 92 | 85.5 Ų | 85.5 | 76% | 0.76 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -15.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R833 | R833-A835 PolarHBondContact O-N 2.63Š|
| 836 | H | 92.7 | Very high | 86.6 | Confident | 40 Ų | 40 | 88.7 Ų | 88.7 | 19% | 0.185 | 44% | 0.441 | C | S | . | . | trans | -69.8 | 142.4 | -169.8 | -60.6 | 179.1 | 0 | 0 | 0 | 112.8 | E804 C805 R833 | E804-H836 HydrophobicContact CB-CB 3.9Å; E804-H836 WeakPolarHBondContact OE2-CA 3.22Å; E804-H836 IonicContact OE2-CD2 3.66Å; E804-H836 PolarHBondContact OE2-CD2 2.84Å; E804-H836 IonicContact OE2-CG 3.65Å; C805-H836 PolarHBondContact SG-ND1 3.3Å; R833-H836 WeakPolarHBondContact O-CB 3.44Å; R833-H836 PolarHBondContact O-N 3.04Å | ||
| 837 | R | 88.5 | Confident | 85.3 | Confident | 212 Ų | 212 | 83.8 Ų | 83.8 | 80% | 0.8 | 42% | 0.419 | S | S | * | . | trans | -90.5 | 120.1 | 173.1 | -168 | 175.1 | -179.9 | -172.1 | -2.5 | 110.2 | C802 E804 | C802-R837 PolarHBondContact SG-O 3.1Å; C802-R837 VanDerWaalsContact SG-O 3.39Å; E804-R837 WeakPolarHBondContact OE1-CB 3.4Å; E804-R837 PolarHBondContact OE1-N 3.41Å | ||
| 838 | H | 90 | Very high | 83.8 | Confident | 72 Ų | 72 | 89 Ų | 89 | 33% | 0.333 | 44% | 0.442 | S | S | . | . | trans | -106.1 | 131 | 173.3 | 54.4 | 56.1 | 0 | 0 | 0 | 111.3 | Y800 E801 C802 N824 H828 | Y800-H838 AromaticContact CD1-ND1 3.81Å; E801-H838 CarbonylContact O-C 3.54Å; E801-H838 WeakPolarHBondContact O-CA 3.33Å; C802-H838 HydrophobicContact CB-CB 3.99Å; N824-H838 PolarHBondContact ND2-CD2 2.82Å; N824-H838 PolarHBondContact ND2-CE1 3.36Å; N824-H838 PolarHBondContact ND2-NE2 2.77Å; N824-H838 PolarHBondContact OD1-CD2 2.85Å; H828-H838 AromaticContact CE1-CD2 3.73Å; H828-H838 AromaticContact CG-CD2 3.88Å; H828-H838 AromaticContact ND1-CD2 3.71Å; H828-H838 AromaticContact NE2-CD2 3.92Å | ||
| 839 | G | 87.6 | Confident | 82.1 | Confident | 39 Ų | 39 | 96.5 Ų | 96.5 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 158.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y800 E801 | Y800-G839 CarbonylContact C-O 3.52Å; Y800-G839 WeakPolarHBondContact CA-O 3.36Å; Y800-G839 WeakPolarHBondContact CB-O 3.33Å; E801-G839 PolarHBondContact N-O 3.49Å; E801-G839 PolarHBondContact O-N 3.44Å |
| 840 | K | 88.3 | Confident | 80.2 | Confident | 156 Ų | 156 | 93 Ų | 93 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 137.2 | 163.3 | -84.3 | -168.1 | 171.1 | -167.5 | 0 | 109.3 | L799 Y800 | L799-K840 WeakPolarHBondContact O-CA 3.5Å; Y800-K840 HydrophobicContact CD1-CG 3.79Å; Y800-K840 HydrophobicContact CE1-CD 4.2Å; Y800-K840 HydrophobicContact CE1-CG 3.49Å; Y800-K840 VanDerWaalsContact CE1-CG 3.49Å; Y800-K840 WeakPolarHBondContact OH-CE 3.47Å |
| 841 | L | 86.4 | Confident | 78.1 | Confident | 21 Ų | 21 | 95.1 Ų | 95.1 | 11% | 0.11 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 143.5 | 169.3 | -66.1 | 174.6 | 0 | 0 | 0 | 109.8 | A798 L799 E801 Q818 V843 | A798-L841 HydrophobicContact CB-CD1 3.89Å; L799-L841 PolarHBondContact O-N 2.96Å; E801-L841 HydrophobicContact CB-CD2 3.96Å; E801-L841 HydrophobicContact CB-CG 4.35Å; E801-L841 VanDerWaalsContact CD-CD2 3.46Å; E801-L841 HydrophobicContact CG-CD2 3.7Å; E801-L841 HydrophobicContact CG-CG 4.43Å; E801-L841 WeakPolarHBondContact OE1-CD2 3.3Å; Q818-L841 HydrophobicContact CB-CD1 4.34Å; L841-V843 HydrophobicContact CB-CG2 4.26Å |
| 842 | S | 79.9 | Confident | 76.3 | Confident | 55 Ų | 55 | 96.8 Ų | 96.8 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 127.6 | 163.5 | 43.1 | 0 | 0 | 0 | 0 | 109.2 | D786 | D786-S842 WeakPolarHBondContact OD1-CB 3.06Å; D786-S842 PolarHBondContact OD1-OG 3.16Å |
| 843 | V | 77.1 | Confident | 74.5 | Confident | 14 Ų | 14 | 99 Ų | 99 | 9% | 0.085 | 49% | 0.486 | C | S | . | . | trans | -134.6 | 128.3 | -178.6 | -178 | 0 | 0 | 0 | 0 | 108.3 | L797 L799 L841 L847 Q848 | L797-V843 HydrophobicContact CD1-CG1 4.13Å; L797-V843 HydrophobicContact CD2-CG1 4.24Å; L799-V843 HydrophobicContact CD2-CG2 4.17Å; L841-V843 HydrophobicContact CB-CG2 4.26Å; V843-L847 HydrophobicContact CG1-CB 4.05Å; V843-L847 HydrophobicContact CG1-CD1 4.28Å; V843-Q848 HydrophobicContact CG1-CG 4.42Å; V843-Q848 PolarHBondContact O-NE2 3.24Å | ||
| 844 | P | 74 | Confident | 72.6 | Confident | 47 Ų | 47 | 106 Ų | 106 | 31% | 0.305 | 52% | 0.52 | S | S | . | . | trans | -48.9 | 139.2 | 175.5 | -29.4 | 34.1 | 0 | 0 | 0 | 113 | E846 L847 | P844-E846 VanDerWaalsContact C-N 3.31Å; P844-E846 WeakPolarHBondContact CB-OE2 3.39Å; P844-E846 PolarHBondContact O-N 2.95Å; P844-L847 HydrophobicContact CB-CD1 4.01Å; P844-L847 HydrophobicContact CB-CG 4.14Å; P844-L847 HydrophobicContact CG-CD1 4.07Å; P844-L847 WeakPolarHBondContact O-CB 3.49Å; P844-L847 PolarHBondContact O-N 3.31Å; P844-L847 VanDerWaalsContact O-N 3.08Å | ||
| 845 | K | 66.9 | Low | 70.9 | Confident | 159 Ų | 159 | 101.2 Ų | 101.2 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -35 | -167 | -68.6 | -177.1 | 178.8 | 179.1 | 0 | 112.5 | L847 Q848 E849 | K845-L847 PolarHBondContact O-N 2.72Å; K845-L847 VanDerWaalsContact O-N 3.13Å; K845-Q848 WeakPolarHBondContact O-CB 3.3Å; K845-Q848 PolarHBondContact O-N 2.72Å; K845-E849 PolarHBondContact O-N 3.36Å |
| 846 | E | 66.4 | Low | 69.5 | Low | 144 Ų | 144 | 102.2 Ų | 102.2 | 67% | 0.673 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.1 | -29.3 | 176.3 | -54.6 | 76 | -167.9 | 0 | 0 | 111.7 | P844 G850 | P844-E846 VanDerWaalsContact C-N 3.31Å; P844-E846 WeakPolarHBondContact CB-OE2 3.39Å; P844-E846 PolarHBondContact O-N 2.95Å; E846-G850 PolarHBondContact O-N 2.97Å |
| 847 | L | 65.7 | Low | 68.6 | Low | 31 Ų | 31 | 102.4 Ų | 102.4 | 16% | 0.162 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -87.3 | -14.5 | -179.4 | -49.1 | 179.2 | 0 | 0 | 0 | 113.2 | P788 V843 P844 K845 W852 | P788-L847 HydrophobicContact CB-CD1 3.64Å; P788-L847 HydrophobicContact CG-CD1 3.68Å; V843-L847 HydrophobicContact CG1-CB 4.05Å; V843-L847 HydrophobicContact CG1-CD1 4.28Å; P844-L847 HydrophobicContact CB-CD1 4.01Å; P844-L847 HydrophobicContact CB-CG 4.14Å; P844-L847 HydrophobicContact CG-CD1 4.07Å; P844-L847 WeakPolarHBondContact O-CB 3.49Å; P844-L847 PolarHBondContact O-N 3.31Å; P844-L847 VanDerWaalsContact O-N 3.08Å; K845-L847 PolarHBondContact O-N 2.72Å; K845-L847 VanDerWaalsContact O-N 3.13Å; L847-W852 HydrophobicContact CD2-CZ2 3.53Å |
| 848 | Q | 61.5 | Low | 68 | Low | 122 Ų | 122 | 96.2 Ų | 96.2 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -85 | -28.5 | 177.1 | -56 | -174 | 27.1 | 0 | 0 | 111.8 | V843 K845 | V843-Q848 HydrophobicContact CG1-CG 4.42Å; V843-Q848 PolarHBondContact O-NE2 3.24Å; K845-Q848 WeakPolarHBondContact O-CB 3.3Å; K845-Q848 PolarHBondContact O-N 2.72Å |
| 849 | E | 57.8 | Low | 67.8 | Low | 175 Ų | 175 | 99.5 Ų | 99.5 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -97.1 | -19.9 | -178.4 | -61.9 | 179.3 | 178.3 | 0 | 0 | 112.9 | K845 | K845-E849 PolarHBondContact O-N 3.36Å |
| 850 | G | 54.8 | Low | 67.8 | Low | 38 Ų | 38 | 100.2 Ų | 100.2 | 39% | 0.392 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -85.3 | 132.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E846 W852 | E846-G850 PolarHBondContact O-N 2.97Å; G850-W852 PolarHBondContact O-N 3.37Å |
| 851 | V | 47.8 | Very low | 68 | Low | 116 Ų | 116 | 98.1 Ų | 98.1 | 70% | 0.703 | 50% | 0.495 | S | S | * | . | trans | -77.8 | 85.3 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | R853 | V851-R853 HydrophobicContact CG1-CB 4.43Å; V851-R853 HydrophobicContact CG1-CG 3.72Å; V851-R853 PolarHBondContact O-N 3.01Å | ||
| 852 | W | 54.3 | Low | 68.4 | Low | 148 Ų | 148 | 97.1 Ų | 97.1 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | trans | -64.1 | 94 | 172.5 | -78.7 | 88 | 0 | 0 | 0 | 111.6 | L847 G850 | L847-W852 HydrophobicContact CD2-CZ2 3.53Å; G850-W852 PolarHBondContact O-N 3.37Å | ||
| 853 | R | 50.8 | Low | 69.1 | Low | 213 Ų | 213 | 96.4 Ų | 96.4 | 80% | 0.804 | 48% | 0.481 | S | S | * | . | trans | -117.8 | 5.2 | -180 | -90.5 | -178.9 | -171.2 | -134 | 5.5 | 114.6 | V851 | V851-R853 HydrophobicContact CG1-CB 4.43Å; V851-R853 HydrophobicContact CG1-CG 3.72Å; V851-R853 PolarHBondContact O-N 3.01Å | ||
| 854 | Q | 51.9 | Low | 70.1 | Confident | 172 Ų | 172 | 95.8 Ų | 95.8 | 80% | 0.804 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -142.5 | 130.2 | -179.8 | -66.6 | -71.5 | -89.4 | 0 | 0 | 110.2 | ||
| 855 | G | 54.3 | Low | 71.1 | Confident | 60 Ų | 60 | 93.9 Ų | 93.9 | 62% | 0.619 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 65.2 | 99 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 856 | S | 63.3 | Low | 72.6 | Confident | 112 Ų | 112 | 86.3 Ų | 86.3 | 78% | 0.783 | 43% | 0.431 | S | S | * | . | trans | 33.8 | 123.8 | 148.3 | 58.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 857 | F | 72.6 | Confident | 74.2 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 20% | 0.197 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 135.8 | 164.9 | -65.1 | -82.3 | 0 | 0 | 0 | 111.8 | P788 E790 G795 L797 R859 | P788-F857 HydrophobicContact CB-CD1 4.17Å; P788-F857 HydrophobicContact CB-CE1 4.45Å; P788-F857 WeakPolarHBondContact O-CD1 3.38Å; E790-F857 HydrophobicContact CB-CD2 3.65Å; E790-F857 HydrophobicContact CB-CE2 4.06Å; E790-F857 HydrophobicContact CB-CG 4.38Å; E790-F857 HydrophobicContact CG-CD2 4Å; E790-F857 HydrophobicContact CG-CE2 4.12Å; G795-F857 WeakPolarHBondContact O-CE2 3.26Å; L797-F857 HydrophobicContact CB-CE1 4.3Å; L797-F857 HydrophobicContact CB-CZ 4.12Å; L797-F857 HydrophobicContact CD1-CE1 3.92Å; F857-R859 PolarHBondContact O-N 3.22Å |
| 858 | P | 76.6 | Confident | 75.7 | Confident | 82 Ų | 82 | 78 Ų | 78 | 53% | 0.532 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 126.1 | 175 | 28.3 | -33.5 | 0 | 0 | 0 | 109.5 | P788 | P788-P858 HydrophobicContact CG-CG 4.45Š|
| 859 | R | 84.8 | Confident | 77.4 | Confident | 140 Ų | 140 | 72.2 Ų | 72.2 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 121.4 | 175 | -69.8 | 177.3 | 74.2 | -170.4 | 2.8 | 110.2 | D779 T781 F857 R861 | D779-R859 IonicContact OD2-CZ 2.81Å; D779-R859 IonicContact OD2-NE 3.01Å; D779-R859 PolarHBondContact OD2-NE 3.38Å; D779-R859 IonicContact OD2-NH2 3.12Å; D779-R859 PolarHBondContact OD2-NH2 3.04Å; T781-R859 WeakPolarHBondContact OG1-CA 3.43Å; F857-R859 PolarHBondContact O-N 3.22Å; R859-R861 PolarHBondContact O-N 3.32Å |
| 860 | Q | 88.6 | Confident | 79.2 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | trans | -81.6 | 104.4 | 176 | -175.1 | 59.5 | 45.6 | 0 | 0 | 109.3 | A751 I780 T781 L784 | A751-Q860 HydrophobicContact CB-CG 3.96Å; I780-Q860 HydrophobicContact CD1-CG 3.84Å; I780-Q860 HydrophobicContact CG1-CB 4.09Å; I780-Q860 HydrophobicContact CG1-CG 3.75Å; I780-Q860 WeakPolarHBondContact CG1-O 3.43Å; I780-Q860 PolarHBondContact N-O 3Å; T781-Q860 PolarHBondContact OG1-N 3.07Å; L784-Q860 HydrophobicContact CD1-CB 3.92Å; L784-Q860 HydrophobicContact CD1-CG 4.09Å | ||
| 861 | R | 92.4 | Very high | 80.6 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 157.3 | 175.4 | -55.1 | -163.1 | -160.9 | 174.6 | 7.5 | 112 | E777 L778 R859 | E777-R861 IonicContact OE1-NH1 3.77Å; E777-R861 WeakPolarHBondContact OE2-CD 3.33Å; E777-R861 IonicContact OE2-CZ 3.53Å; E777-R861 IonicContact OE2-NE 2.71Å; E777-R861 IonicContact OE2-NH1 2.66Å; E777-R861 PolarHBondContact OE2-NH1 2.84Å; L778-R861 CarbonylContact O-C 3.56Å; L778-R861 WeakPolarHBondContact O-CA 3.04Å; R859-R861 PolarHBondContact O-N 3.32Å |
| 862 | M | 94.8 | Very high | 82.3 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.3 | 168.9 | -56.2 | -173.3 | 75.9 | 0 | 0 | 109 | P752 L755 E777 L778 I780 Q951 | P752-M862 HydrophobicContact CG-CE 4.23Å; P752-M862 HydrophobicContact CG-SD 3.93Å; P752-M862 VanDerWaalsContact O-CE 3.23Å; P752-M862 WeakPolarHBondContact O-CE 3.43Å; L755-M862 HydrophobicContact CB-CE 3.6Å; L755-M862 HydrophobicContact CB-SD 3.7Å; L755-M862 HydrophobicContact CD2-SD 3.79Å; L755-M862 HydrophobicContact CG-SD 4.41Å; E777-M862 CarbonylContact C-O 3.44Å; E777-M862 VanDerWaalsContact CA-O 3.3Å; E777-M862 WeakPolarHBondContact CA-O 3.25Å; L778-M862 PolarHBondContact N-O 2.83Å; L778-M862 PolarHBondContact O-N 3.44Å; I780-M862 HydrophobicContact CD1-CG 4.34Å; I780-M862 HydrophobicContact CD1-SD 4.02Å; M862-Q951 CarbonylContact C-O 3.57Å; M862-Q951 VanDerWaalsContact CA-O 3.27Å; M862-Q951 WeakPolarHBondContact CA-O 3.41Å; M862-Q951 WeakPolarHBondContact CB-O 3.21Å |
| 863 | E | 95.5 | Very high | 83.8 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 19% | 0.187 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 144.3 | 178.2 | 68.1 | -172.4 | 165.2 | 0 | 0 | 111.2 | F865 Y950 Q951 P953 | E863-F865 PolarHBondContact O-N 2.95Å; E863-Y950 CarbonylContact O-C 3.57Å; E863-Y950 WeakPolarHBondContact O-CA 3.46Å; E863-Q951 HydrophobicContact CG-CG 3.62Å; E863-Q951 PolarHBondContact N-O 3.09Å; E863-Q951 PolarHBondContact O-N 3.17Å; E863-Q951 WeakPolarHBondContact OE1-CG 3.46Å; E863-Q951 PolarHBondContact OE1-NE2 2.8Å; E863-P953 HydrophobicContact CB-CG 4.06Å; E863-P953 HydrophobicContact CG-CG 3.97Å |
| 864 | L | 97.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117.8 | 172.6 | -178.6 | 71.7 | 0 | 0 | 0 | 109.8 | P774 L776 V867 W888 C948 Y950 | P774-L864 HydrophobicContact CB-CD2 3.87Å; P774-L864 HydrophobicContact CG-CD2 4.49Å; L776-L864 HydrophobicContact CD2-CD2 4.44Å; L776-L864 PolarHBondContact O-N 2.94Å; L864-V867 HydrophobicContact CD1-CG2 3.96Å; L864-V867 HydrophobicContact CD2-CG2 3.97Å; L864-V867 HydrophobicContact CG-CG2 4.32Å; L864-W888 HydrophobicContact CD2-CH2 3.73Å; L864-W888 HydrophobicContact CD2-CZ2 4.14Å; L864-W888 HydrophobicContact CG-CH2 4.15Å; L864-C948 HydrophobicContact CD1-CB 4.09Å; L864-Y950 HydrophobicContact CB-CD1 3.94Å; L864-Y950 HydrophobicContact CB-CE1 3.72Å; L864-Y950 HydrophobicContact CD1-CD1 4.14Å; L864-Y950 HydrophobicContact CD1-CE1 3.66Å; L864-Y950 HydrophobicContact CD1-CE2 4.07Å; L864-Y950 HydrophobicContact CG-CE1 4.26Å |
| 865 | F | 96.1 | Very high | 87.9 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -26.6 | 177.1 | 74.2 | -91.9 | 0 | 0 | 0 | 113.4 | C612 L613 V619 E863 K880 M949 Q951 | C612-F865 WeakPolarHBondContact O-CE2 3.43Å; L613-F865 HydrophobicContact CD2-CZ 4.3Å; V619-F865 HydrophobicContact CG1-CE1 4.41Å; V619-F865 HydrophobicContact CG1-CZ 4.21Å; E863-F865 PolarHBondContact O-N 2.95Å; F865-K880 PolarHBondContact O-N 3.15Å; F865-M949 HydrophobicContact CD1-CB 4.31Å; F865-M949 WeakPolarHBondContact CD1-O 3.21Å; F865-M949 HydrophobicContact CE1-CB 3.68Å; F865-M949 HydrophobicContact CE2-CB 4.08Å; F865-M949 HydrophobicContact CZ-CB 3.56Å; F865-M949 HydrophobicContact CZ-SD 4.44Å; F865-M949 PolarHBondContact N-O 3.14Å; F865-Q951 HydrophobicContact CB-CG 4.27Å; F865-Q951 HydrophobicContact CD1-CB 3.68Å; F865-Q951 HydrophobicContact CD1-CG 3.75Å; F865-Q951 HydrophobicContact CE1-CB 3.93Å; F865-Q951 HydrophobicContact CE1-CG 4.49Å; F865-Q951 HydrophobicContact CG-CG 4.32Å |
| 866 | A | 98 | Very high | 90 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | C612 F878 V879 M949 | C612-A866 HydrophobicContact CB-CB 3.77Å; A866-F878 CarbonylContact C-O 3.59Å; A866-F878 VanDerWaalsContact CA-O 3.23Å; A866-F878 WeakPolarHBondContact CA-O 3.48Å; A866-V879 HydrophobicContact CB-CG2 4.24Å; A866-M949 HydrophobicContact CB-CB 4.26Å; A866-M949 HydrophobicContact CB-SD 4.44Å; A866-M949 PolarHBondContact N-O 3.09Å; A866-M949 PolarHBondContact O-N 3.15Å |
| 867 | V | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118.2 | 168.1 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | P774 L864 F878 L941 A945 M947 | P774-V867 HydrophobicContact CB-CG2 4.12Å; P774-V867 HydrophobicContact CG-CG2 4.43Å; L864-V867 HydrophobicContact CD1-CG2 3.96Å; L864-V867 HydrophobicContact CD2-CG2 3.97Å; L864-V867 HydrophobicContact CG-CG2 4.32Å; V867-F878 HydrophobicContact CB-CB 4.36Å; V867-F878 PolarHBondContact N-O 2.84Å; V867-F878 PolarHBondContact O-N 3.03Å; V867-L941 HydrophobicContact CB-CD1 4.34Å; V867-L941 HydrophobicContact CG2-CD1 4.23Å; V867-A945 HydrophobicContact CG1-CB 3.88Å; V867-M947 CarbonylContact C-O 3.53Å; V867-M947 WeakPolarHBondContact CA-O 3.25Å |
| 868 | L | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.9 | 173.5 | -171.9 | 145.2 | 0 | 0 | 0 | 108.5 | T609 P685 Y875 Y946 M947 M949 | T609-L868 VanDerWaalsContact OG1-CD1 3.24Å; T609-L868 WeakPolarHBondContact OG1-CD1 3.44Å; P685-L868 HydrophobicContact CG-CD2 4.02Å; L868-Y875 HydrophobicContact CD2-CD1 3.44Å; L868-Y875 VanDerWaalsContact CD2-CD1 3.44Å; L868-Y875 HydrophobicContact CD2-CE1 3.9Å; L868-Y875 HydrophobicContact CD2-CG 4.36Å; L868-Y946 HydrophobicContact CD2-CD1 3.82Å; L868-Y946 HydrophobicContact CD2-CG 4.41Å; L868-Y946 WeakPolarHBondContact O-CA 3.43Å; L868-Y946 WeakPolarHBondContact O-CB 3.47Å; L868-Y946 PolarHBondContact O-N 2.71Å; L868-M947 HydrophobicContact CB-CB 4.3Å; L868-M947 PolarHBondContact N-O 2.88Å; L868-M947 PolarHBondContact O-N 3.25Å; L868-M949 HydrophobicContact CB-CE 4.32Å; L868-M949 HydrophobicContact CD1-CE 4.35Å |
| 869 | C | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.4 | -170.3 | -62 | 0 | 0 | 0 | 0 | 112.4 | Y875 V876 F878 D944 | C869-Y875 WeakPolarHBondContact O-CA 3.46Å; C869-V876 HydrophobicContact CB-CG2 3.96Å; C869-V876 PolarHBondContact N-O 3.36Å; C869-V876 PolarHBondContact O-N 3.27Å; C869-F878 HydrophobicContact CB-CE2 4.34Å; C869-D944 CarbonylContact C-O 3.52Å; C869-D944 WeakPolarHBondContact CA-O 3.46Å; C869-D944 HydrophobicContact CB-CB 4.09Å; C869-D944 WeakPolarHBondContact CB-O 3.22Å |
| 870 | I | 94.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.056 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131.2 | 169.6 | -169.7 | 168.4 | 0 | 0 | 0 | 110.8 | R761 Y875 D944 Y946 | R761-I870 PolarHBondContact NH1-O 3.24Å; I870-Y875 HydrophobicContact CB-CD1 3.7Å; I870-Y875 HydrophobicContact CB-CE1 3.67Å; I870-Y875 HydrophobicContact CB-CG 4.48Å; I870-Y875 HydrophobicContact CD1-CD1 4.05Å; I870-Y875 HydrophobicContact CD1-CD2 4.1Å; I870-Y875 HydrophobicContact CD1-CE1 3.7Å; I870-Y875 HydrophobicContact CD1-CE2 3.76Å; I870-Y875 HydrophobicContact CD1-CG 4.26Å; I870-Y875 HydrophobicContact CG1-CD1 4.27Å; I870-Y875 HydrophobicContact CG1-CE1 4.22Å; I870-Y875 HydrophobicContact CG2-CD1 4.42Å; I870-Y875 HydrophobicContact CG2-CE1 3.92Å; I870-D944 PolarHBondContact N-O 3.26Å; I870-D944 WeakPolarHBondContact O-CB 3.46Å; I870-Y946 HydrophobicContact CG2-CD2 3.53Å; I870-Y946 HydrophobicContact CG2-CE2 4.29Å; I870-Y946 HydrophobicContact CG2-CG 4.06Å |
| 871 | E | 85.8 | Confident | 94.4 | Very high | 60 Ų | 60 | 24 Ų | 24 | 28% | 0.28 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -90.3 | -49 | 175 | -169.6 | 158.5 | -167.4 | 0 | 0 | 110.9 | R939 R940 D944 | E871-R939 IonicContact OE1-CZ 2.79Å; E871-R939 IonicContact OE1-NH1 2.84Å; E871-R939 PolarHBondContact OE1-NH1 3.37Å; E871-R939 IonicContact OE1-NH2 3.69Å; E871-R939 PolarHBondContact OE1-NH2 3.2Å; E871-R939 IonicContact OE2-NH1 3.91Å; E871-R940 IonicContact OE2-NE 2.69Å; E871-R940 PolarHBondContact OE2-NE 2.75Å; E871-D944 WeakPolarHBondContact CA-OD1 3.26Å |
| 872 | T | 81.5 | Confident | 94.2 | Very high | 94 Ų | 94 | 19.5 Ų | 19.5 | 58% | 0.577 | 11% | 0.108 | S | C | * | . | S | Bend | trans | -140.8 | -61.3 | 177.3 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | K764 | K764-T872 WeakPolarHBondContact CD-O 3.28Å; K764-T872 WeakPolarHBondContact CE-O 3.04Å |
| 873 | S | 86.4 | Confident | 93.7 | Very high | 63 Ų | 63 | 26.2 Ų | 26.2 | 44% | 0.441 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -151.2 | 30.7 | -174.9 | 65.6 | 0 | 0 | 0 | 0 | 113 | E682 | E682-S873 VanDerWaalsContact OE1-C 3.25Å; E682-S873 WeakPolarHBondContact OE1-CA 3.47Å |
| 874 | H | 93 | Very high | 93.4 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 20% | 0.204 | 16% | 0.16 | C | C | . | . | trans | -145.4 | 115.2 | 177.7 | -174.3 | 39.4 | 0 | 0 | 0 | 110.4 | C604 D892 | C604-H874 VanDerWaalsContact CB-ND1 3.27Å; C604-H874 WeakPolarHBondContact CB-ND1 3.42Å; C604-H874 PolarHBondContact SG-ND1 2.89Å; C604-H874 VanDerWaalsContact SG-ND1 3.39Å; H874-D892 IonicContact CD2-OD1 2.73Å; H874-D892 IonicContact CD2-OD2 2.7Å; H874-D892 IonicContact CE1-OD1 3.65Å; H874-D892 VanDerWaalsContact NE2-CG 3.28Å; H874-D892 IonicContact NE2-OD1 2.73Å; H874-D892 PolarHBondContact NE2-OD1 2.94Å; H874-D892 IonicContact NE2-OD2 3.64Å; H874-D892 PolarHBondContact NE2-OD2 2.78Å | ||
| 875 | Y | 97.1 | Very high | 93 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124.7 | -176.5 | -76.1 | -72.1 | 0 | 0 | 0 | 111.4 | C604 S608 D684 P685 L868 C869 I870 Y946 | C604-Y875 PolarHBondContact SG-N 2.84Å; S608-Y875 PolarHBondContact OG-O 3.33Å; D684-Y875 PolarHBondContact OD1-OH 3.14Å; P685-Y875 VanDerWaalsContact CD-CZ 3.43Å; P685-Y875 WeakPolarHBondContact CD-OH 3.31Å; P685-Y875 HydrophobicContact CG-CD1 4.28Å; P685-Y875 HydrophobicContact CG-CE1 3.89Å; P685-Y875 HydrophobicContact CG-CE2 4.34Å; L868-Y875 HydrophobicContact CD2-CD1 3.44Å; L868-Y875 VanDerWaalsContact CD2-CD1 3.44Å; L868-Y875 HydrophobicContact CD2-CE1 3.9Å; L868-Y875 HydrophobicContact CD2-CG 4.36Å; C869-Y875 WeakPolarHBondContact O-CA 3.46Å; I870-Y875 HydrophobicContact CB-CD1 3.7Å; I870-Y875 HydrophobicContact CB-CE1 3.67Å; I870-Y875 HydrophobicContact CB-CG 4.48Å; I870-Y875 HydrophobicContact CD1-CD1 4.05Å; I870-Y875 HydrophobicContact CD1-CD2 4.1Å; I870-Y875 HydrophobicContact CD1-CE1 3.7Å; I870-Y875 HydrophobicContact CD1-CE2 3.76Å; I870-Y875 HydrophobicContact CD1-CG 4.26Å; I870-Y875 HydrophobicContact CG1-CD1 4.27Å; I870-Y875 HydrophobicContact CG1-CE1 4.22Å; I870-Y875 HydrophobicContact CG2-CD1 4.42Å; I870-Y875 HydrophobicContact CG2-CE1 3.92Å; Y875-Y946 AromaticContact CE1-CD1 3.91Å; Y875-Y946 HydrophobicContact CE1-CD1 3.91Å; Y875-Y946 HydrophobicContact CE1-CD2 4.07Å; Y875-Y946 AromaticContact CE1-CE1 3.98Å; Y875-Y946 HydrophobicContact CE1-CE1 3.98Å; Y875-Y946 HydrophobicContact CE1-CE2 4.11Å; Y875-Y946 AromaticContact CE1-CG 3.95Å; Y875-Y946 HydrophobicContact CE1-CG 3.95Å; Y875-Y946 WeakPolarHBondContact OH-CE2 3.35Å; Y875-Y946 VanDerWaalsContact OH-CZ 3.24Å; Y875-Y946 PolarHBondContact OH-OH 3.16Å |
| 876 | V | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 159.2 | 179.1 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | S608 C869 F890 D892 | S608-V876 WeakPolarHBondContact OG-CA 3.35Å; C869-V876 HydrophobicContact CB-CG2 3.96Å; C869-V876 PolarHBondContact N-O 3.36Å; C869-V876 PolarHBondContact O-N 3.27Å; V876-F890 HydrophobicContact CB-CE2 3.82Å; V876-F890 HydrophobicContact CB-CZ 4.07Å; V876-F890 HydrophobicContact CG1-CE2 4.39Å; V876-F890 HydrophobicContact CG1-CZ 4.14Å; V876-F890 HydrophobicContact CG2-CE2 3.74Å; V876-F890 HydrophobicContact CG2-CZ 4.27Å; V876-D892 HydrophobicContact CG1-CB 4.05Å; V876-D892 VanDerWaalsContact CG1-OD2 3.32Å; V876-D892 WeakPolarHBondContact CG1-OD2 3.27Å |
| 877 | A | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | F611 C612 V879 F890 F891 | F611-A877 HydrophobicContact CD1-CB 4.07Å; C612-A877 WeakPolarHBondContact SG-CB 3.39Å; A877-V879 HydrophobicContact CB-CG2 4.4Å; A877-F890 WeakPolarHBondContact O-CA 3.47Å; A877-F891 HydrophobicContact CB-CB 4.3Å; A877-F891 HydrophobicContact CB-CD1 3.99Å; A877-F891 PolarHBondContact N-O 2.81Å; A877-F891 PolarHBondContact O-N 2.91Å |
| 878 | F | 98.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.9 | 160 | -66.8 | -98.2 | 0 | 0 | 0 | 108.1 | A866 V867 C869 W888 L889 F890 V915 Q937 R940 L941 | A866-F878 CarbonylContact C-O 3.59Å; A866-F878 VanDerWaalsContact CA-O 3.23Å; A866-F878 WeakPolarHBondContact CA-O 3.48Å; V867-F878 HydrophobicContact CB-CB 4.36Å; V867-F878 PolarHBondContact N-O 2.84Å; V867-F878 PolarHBondContact O-N 3.03Å; C869-F878 HydrophobicContact CB-CE2 4.34Å; F878-W888 HydrophobicContact CB-CE3 4.1Å; F878-W888 HydrophobicContact CB-CZ3 4.08Å; F878-L889 CarbonylContact C-O 3.51Å; F878-L889 VanDerWaalsContact CA-O 3.3Å; F878-L889 WeakPolarHBondContact CA-O 3.44Å; F878-F890 HydrophobicContact CD1-CB 4.42Å; F878-F890 HydrophobicContact CD1-CD2 4.21Å; F878-F890 HydrophobicContact CD2-CD2 4.35Å; F878-F890 HydrophobicContact CE1-CB 4.24Å; F878-F890 AromaticContact CE1-CD2 3.69Å; F878-F890 HydrophobicContact CE1-CD2 3.69Å; F878-F890 HydrophobicContact CE1-CG 4.39Å; F878-F890 AromaticContact CE2-CD2 3.83Å; F878-F890 HydrophobicContact CE2-CD2 3.83Å; F878-F890 HydrophobicContact CE2-CE2 4.07Å; F878-F890 AromaticContact CZ-CD2 3.46Å; F878-F890 HydrophobicContact CZ-CD2 3.46Å; F878-F890 VanDerWaalsContact CZ-CD2 3.46Å; F878-F890 AromaticContact CZ-CE2 3.92Å; F878-F890 HydrophobicContact CZ-CE2 3.92Å; F878-V915 HydrophobicContact CD1-CG2 4.15Å; F878-V915 HydrophobicContact CE1-CG2 4.06Å; F878-Q937 HydrophobicContact CE1-CB 3.67Å; F878-Q937 HydrophobicContact CZ-CB 3.85Å; F878-Q937 WeakPolarHBondContact CZ-O 3.1Å; F878-R940 HydrophobicContact CE2-CB 4.15Å; F878-R940 HydrophobicContact CZ-CB 4.05Å; F878-L941 HydrophobicContact CB-CD1 3.76Å; F878-L941 HydrophobicContact CD1-CB 4.09Å; F878-L941 HydrophobicContact CD1-CD1 3.77Å; F878-L941 HydrophobicContact CD2-CB 4.07Å; F878-L941 HydrophobicContact CD2-CD1 4.19Å; F878-L941 HydrophobicContact CE1-CB 3.91Å; F878-L941 HydrophobicContact CE1-CD1 4.42Å; F878-L941 HydrophobicContact CE2-CB 3.91Å; F878-L941 HydrophobicContact CG-CB 4.17Å; F878-L941 HydrophobicContact CG-CD1 3.64Å; F878-L941 HydrophobicContact CG-CG 4.45Å; F878-L941 HydrophobicContact CZ-CB 3.83Å |
| 879 | V | 96.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.5 | 179.9 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | F611 F616 A866 A877 L889 | F611-V879 HydrophobicContact CD1-CG2 3.66Å; F611-V879 HydrophobicContact CE1-CB 4.3Å; F611-V879 HydrophobicContact CE1-CG2 3.67Å; F616-V879 HydrophobicContact CB-CG1 4.17Å; F616-V879 HydrophobicContact CD2-CG1 3.84Å; F616-V879 HydrophobicContact CG-CG1 4.45Å; A866-V879 HydrophobicContact CB-CG2 4.24Å; A877-V879 HydrophobicContact CB-CG2 4.4Å; V879-L889 PolarHBondContact N-O 2.72Å; V879-L889 PolarHBondContact O-N 2.75Å |
| 880 | K | 93.6 | Very high | 92.3 | Very high | 34 Ų | 34 | 37 Ų | 37 | 15% | 0.148 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.9 | 175.3 | -158 | -168.5 | -177.7 | -155.5 | 0 | 109.1 | F865 G882 H883 A887 W888 | F865-K880 PolarHBondContact O-N 3.15Å; K880-G882 WeakPolarHBondContact CE-O 3.25Å; K880-H883 PolarHBondContact NZ-O 3.39Å; K880-H883 VanDerWaalsContact NZ-O 3.07Å; K880-A887 CarbonylContact C-O 3.51Å; K880-A887 VanDerWaalsContact CA-O 3.28Å; K880-A887 WeakPolarHBondContact CA-O 3.09Å; K880-A887 WeakPolarHBondContact CG-O 3.39Å; K880-W888 HydrophobicContact CB-CD2 4.41Å; K880-W888 HydrophobicContact CB-CE3 4.24Å; K880-W888 HydrophobicContact CB-CH2 4.1Å; K880-W888 HydrophobicContact CB-CZ2 4.26Å; K880-W888 HydrophobicContact CB-CZ3 4.09Å; K880-W888 HydrophobicContact CD-CZ2 4.35Å; K880-W888 HydrophobicContact CG-CD2 4.43Å; K880-W888 HydrophobicContact CG-CZ2 4.25Å |
| 881 | Y | 90.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | trans | -102.8 | 1.4 | -173 | 67.3 | -91.3 | 0 | 0 | 0 | 114.6 | E583 L587 A887 L889 | E583-Y881 PolarHBondContact N-O 3.09Å; L587-Y881 HydrophobicContact CD1-CD1 4.25Å; L587-Y881 HydrophobicContact CD1-CD2 4.12Å; L587-Y881 HydrophobicContact CD1-CE1 3.83Å; L587-Y881 HydrophobicContact CD1-CE2 3.74Å; L587-Y881 HydrophobicContact CD1-CG 4.37Å; L587-Y881 HydrophobicContact CD2-CE2 4.1Å; L587-Y881 HydrophobicContact CG-CE2 4.39Å; Y881-A887 HydrophobicContact CD1-CB 4.09Å; Y881-A887 WeakPolarHBondContact CD1-O 3.5Å; Y881-A887 HydrophobicContact CD2-CB 4.29Å; Y881-A887 HydrophobicContact CE1-CB 3.87Å; Y881-A887 WeakPolarHBondContact CE1-O 3.09Å; Y881-A887 HydrophobicContact CE2-CB 4.03Å; Y881-A887 HydrophobicContact CG-CB 4.31Å; Y881-A887 PolarHBondContact N-O 3.44Å; Y881-L889 HydrophobicContact CD1-CD1 4.04Å; Y881-L889 HydrophobicContact CD1-CD2 4.44Å; Y881-L889 HydrophobicContact CD1-CG 3.67Å; Y881-L889 HydrophobicContact CE1-CD2 4.28Å; Y881-L889 HydrophobicContact CE1-CG 3.98Å; Y881-L889 HydrophobicContact CG-CD1 4.47Å | ||
| 882 | G | 86.9 | Confident | 93.1 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 19% | 0.186 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -171.6 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K880 Q884 | K880-G882 WeakPolarHBondContact CE-O 3.25Å; G882-Q884 PolarHBondContact O-N 2.93Å |
| 883 | H | 85.1 | Confident | 93.8 | Very high | 141 Ų | 141 | 30 Ų | 30 | 65% | 0.653 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -70.5 | -32.4 | -173.6 | -62.1 | 97.6 | 0 | 0 | 0 | 113.8 | K880 | K880-H883 PolarHBondContact NZ-O 3.39Å; K880-H883 VanDerWaalsContact NZ-O 3.07Å |
| 884 | Q | 88.4 | Confident | 94.1 | Very high | 137 Ų | 137 | 29.5 Ų | 29.5 | 64% | 0.64 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -56.8 | 144.2 | -176.5 | -59.8 | -66.8 | -16.5 | 0 | 0 | 112.5 | G882 S886 A887 | G882-Q884 PolarHBondContact O-N 2.93Å; Q884-S886 PolarHBondContact O-N 2.84Å; Q884-A887 HydrophobicContact CB-CB 4.15Å; Q884-A887 VanDerWaalsContact O-CB 3.28Å; Q884-A887 WeakPolarHBondContact O-CB 3.2Å; Q884-A887 PolarHBondContact O-N 2.84Å |
| 885 | D | 89.6 | Confident | 94 | Very high | 64 Ų | 64 | 29.6 Ų | 29.6 | 34% | 0.342 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.3 | -176.5 | -50 | -58.7 | 0 | 0 | 0 | 113 | W888 G916 K920 | D885-W888 PolarHBondContact O-NE1 2.8Å; D885-G916 WeakPolarHBondContact O-CA 3.46Å; D885-K920 WeakPolarHBondContact OD2-CE 3.1Å; D885-K920 IonicContact OD2-NZ 3.63Å; D885-K920 PolarHBondContact OD2-NZ 3.32Å |
| 886 | S | 91.5 | Very high | 93.6 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 42% | 0.42 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 3.6 | 179.3 | 61 | 0 | 0 | 0 | 0 | 114.2 | Q884 W888 | Q884-S886 PolarHBondContact O-N 2.84Å; S886-W888 PolarHBondContact O-N 2.64Å |
| 887 | A | 92.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | trans | -79.7 | 57.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K880 Y881 Q884 | K880-A887 CarbonylContact C-O 3.51Å; K880-A887 VanDerWaalsContact CA-O 3.28Å; K880-A887 WeakPolarHBondContact CA-O 3.09Å; K880-A887 WeakPolarHBondContact CG-O 3.39Å; Y881-A887 HydrophobicContact CD1-CB 4.09Å; Y881-A887 WeakPolarHBondContact CD1-O 3.5Å; Y881-A887 HydrophobicContact CD2-CB 4.29Å; Y881-A887 HydrophobicContact CE1-CB 3.87Å; Y881-A887 WeakPolarHBondContact CE1-O 3.09Å; Y881-A887 HydrophobicContact CE2-CB 4.03Å; Y881-A887 HydrophobicContact CG-CB 4.31Å; Y881-A887 PolarHBondContact N-O 3.44Å; Q884-A887 HydrophobicContact CB-CB 4.15Å; Q884-A887 VanDerWaalsContact O-CB 3.28Å; Q884-A887 WeakPolarHBondContact O-CB 3.2Å; Q884-A887 PolarHBondContact O-N 2.84Å | ||
| 888 | W | 95.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.3 | 179.8 | -72.7 | 97.4 | 0 | 0 | 0 | 112.5 | L776 L864 F878 K880 D885 S886 C912 V915 L919 L941 | L776-W888 HydrophobicContact CD2-CZ2 3.85Å; L864-W888 HydrophobicContact CD2-CH2 3.73Å; L864-W888 HydrophobicContact CD2-CZ2 4.14Å; L864-W888 HydrophobicContact CG-CH2 4.15Å; F878-W888 HydrophobicContact CB-CE3 4.1Å; F878-W888 HydrophobicContact CB-CZ3 4.08Å; K880-W888 HydrophobicContact CB-CD2 4.41Å; K880-W888 HydrophobicContact CB-CE3 4.24Å; K880-W888 HydrophobicContact CB-CH2 4.1Å; K880-W888 HydrophobicContact CB-CZ2 4.26Å; K880-W888 HydrophobicContact CB-CZ3 4.09Å; K880-W888 HydrophobicContact CD-CZ2 4.35Å; K880-W888 HydrophobicContact CG-CD2 4.43Å; K880-W888 HydrophobicContact CG-CZ2 4.25Å; D885-W888 PolarHBondContact O-NE1 2.8Å; S886-W888 PolarHBondContact O-N 2.64Å; W888-C912 PolarHBondContact O-N 2.94Å; W888-V915 HydrophobicContact CB-CB 4.18Å; W888-V915 HydrophobicContact CB-CG1 4.37Å; W888-V915 HydrophobicContact CD2-CG1 3.78Å; W888-V915 HydrophobicContact CE3-CG1 4.45Å; W888-V915 HydrophobicContact CG-CB 3.99Å; W888-V915 HydrophobicContact CG-CG1 3.71Å; W888-L919 HydrophobicContact CZ2-CD1 3.95Å; W888-L941 HydrophobicContact CZ3-CD1 4.31Å |
| 889 | L | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.2 | 168.6 | -67.4 | 175.2 | 0 | 0 | 0 | 109.9 | L587 V591 F616 F878 V879 Y881 V909 P911 C912 | L587-L889 HydrophobicContact CD1-CD1 4.14Å; L587-L889 HydrophobicContact CD1-CD2 3.83Å; L587-L889 HydrophobicContact CD1-CG 4.31Å; V591-L889 HydrophobicContact CG2-CD1 4.44Å; V591-L889 HydrophobicContact CG2-CD2 3.55Å; F616-L889 HydrophobicContact CE2-CD1 3.48Å; F616-L889 VanDerWaalsContact CE2-CD1 3.48Å; F616-L889 HydrophobicContact CZ-CD1 3.58Å; F878-L889 CarbonylContact C-O 3.51Å; F878-L889 VanDerWaalsContact CA-O 3.3Å; F878-L889 WeakPolarHBondContact CA-O 3.44Å; V879-L889 PolarHBondContact N-O 2.72Å; V879-L889 PolarHBondContact O-N 2.75Å; Y881-L889 HydrophobicContact CD1-CD1 4.04Å; Y881-L889 HydrophobicContact CD1-CD2 4.44Å; Y881-L889 HydrophobicContact CD1-CG 3.67Å; Y881-L889 HydrophobicContact CE1-CD2 4.28Å; Y881-L889 HydrophobicContact CE1-CG 3.98Å; Y881-L889 HydrophobicContact CG-CD1 4.47Å; L889-V909 HydrophobicContact CB-CG1 4.13Å; L889-V909 HydrophobicContact CD1-CG1 3.96Å; L889-V909 HydrophobicContact CD2-CG1 4.11Å; L889-V909 HydrophobicContact CG-CG1 4.29Å; L889-P911 HydrophobicContact CD2-CB 4.37Å; L889-P911 HydrophobicContact CD2-CG 4.3Å; L889-C912 VanDerWaalsContact C-SG 3.52Å |
| 890 | F | 98.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.9 | 166 | 173.4 | -102.1 | 0 | 0 | 0 | 109.1 | V876 A877 F878 D892 V909 S910 C912 Q937 | V876-F890 HydrophobicContact CB-CE2 3.82Å; V876-F890 HydrophobicContact CB-CZ 4.07Å; V876-F890 HydrophobicContact CG1-CE2 4.39Å; V876-F890 HydrophobicContact CG1-CZ 4.14Å; V876-F890 HydrophobicContact CG2-CE2 3.74Å; V876-F890 HydrophobicContact CG2-CZ 4.27Å; A877-F890 WeakPolarHBondContact O-CA 3.47Å; F878-F890 HydrophobicContact CD1-CB 4.42Å; F878-F890 HydrophobicContact CD1-CD2 4.21Å; F878-F890 HydrophobicContact CD2-CD2 4.35Å; F878-F890 HydrophobicContact CE1-CB 4.24Å; F878-F890 AromaticContact CE1-CD2 3.69Å; F878-F890 HydrophobicContact CE1-CD2 3.69Å; F878-F890 HydrophobicContact CE1-CG 4.39Å; F878-F890 AromaticContact CE2-CD2 3.83Å; F878-F890 HydrophobicContact CE2-CD2 3.83Å; F878-F890 HydrophobicContact CE2-CE2 4.07Å; F878-F890 AromaticContact CZ-CD2 3.46Å; F878-F890 HydrophobicContact CZ-CD2 3.46Å; F878-F890 VanDerWaalsContact CZ-CD2 3.46Å; F878-F890 AromaticContact CZ-CE2 3.92Å; F878-F890 HydrophobicContact CZ-CE2 3.92Å; F890-D892 HydrophobicContact CE1-CB 3.84Å; F890-D892 HydrophobicContact CZ-CB 4Å; F890-V909 CarbonylContact O-C 3.59Å; F890-V909 WeakPolarHBondContact O-CA 3.43Å; F890-S910 PolarHBondContact N-O 3.43Å; F890-S910 PolarHBondContact O-N 2.95Å; F890-C912 HydrophobicContact CB-CB 4.26Å; F890-C912 PolarHBondContact N-SG 3.35Å; F890-C912 VanDerWaalsContact N-SG 3.4Å; F890-Q937 HydrophobicContact CB-CB 4.29Å; F890-Q937 HydrophobicContact CB-CG 4.1Å; F890-Q937 HydrophobicContact CD1-CG 3.82Å; F890-Q937 HydrophobicContact CD2-CB 4.09Å; F890-Q937 HydrophobicContact CD2-CG 4.06Å; F890-Q937 HydrophobicContact CE1-CG 4.26Å; F890-Q937 HydrophobicContact CE2-CG 4.46Å; F890-Q937 HydrophobicContact CG-CB 4.1Å; F890-Q937 HydrophobicContact CG-CG 3.71Å |
| 891 | F | 98.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.9 | 177.1 | 163.4 | -109.4 | 0 | 0 | 0 | 110.9 | I597 D607 F611 A877 P907 Q908 V909 | I597-F891 HydrophobicContact CB-CZ 4.04Å; I597-F891 VanDerWaalsContact O-CZ 3.29Å; I597-F891 WeakPolarHBondContact O-CZ 3.42Å; D607-F891 HydrophobicContact CB-CE1 4.36Å; D607-F891 HydrophobicContact CB-CZ 4.38Å; F611-F891 HydrophobicContact CB-CD1 3.55Å; F611-F891 HydrophobicContact CB-CE1 3.59Å; F611-F891 HydrophobicContact CB-CG 4.35Å; F611-F891 HydrophobicContact CB-CZ 4.42Å; F611-F891 HydrophobicContact CD1-CB 3.65Å; F611-F891 AromaticContact CD1-CD1 3.63Å; F611-F891 HydrophobicContact CD1-CD1 3.63Å; F611-F891 HydrophobicContact CD1-CE1 4.48Å; F611-F891 AromaticContact CD1-CG 3.73Å; F611-F891 HydrophobicContact CD1-CG 3.73Å; F611-F891 AromaticContact CD2-CD1 3.95Å; F611-F891 HydrophobicContact CD2-CD1 3.95Å; F611-F891 HydrophobicContact CD2-CD2 4.15Å; F611-F891 HydrophobicContact CD2-CE1 4.19Å; F611-F891 HydrophobicContact CD2-CE2 4.39Å; F611-F891 AromaticContact CD2-CG 3.92Å; F611-F891 HydrophobicContact CD2-CG 3.92Å; F611-F891 HydrophobicContact CD2-CZ 4.39Å; F611-F891 HydrophobicContact CE1-CB 3.49Å; F611-F891 VanDerWaalsContact CE1-CB 3.49Å; F611-F891 HydrophobicContact CE1-CD1 4.32Å; F611-F891 AromaticContact CE1-CG 3.94Å; F611-F891 HydrophobicContact CE1-CG 3.94Å; F611-F891 HydrophobicContact CE2-CB 4.36Å; F611-F891 HydrophobicContact CE2-CD2 4.2Å; F611-F891 HydrophobicContact CE2-CG 4.11Å; F611-F891 HydrophobicContact CG-CB 4.18Å; F611-F891 AromaticContact CG-CD1 3.42Å; F611-F891 HydrophobicContact CG-CD1 3.42Å; F611-F891 VanDerWaalsContact CG-CD1 3.42Å; F611-F891 HydrophobicContact CG-CD2 4.4Å; F611-F891 AromaticContact CG-CE1 3.85Å; F611-F891 HydrophobicContact CG-CE1 3.85Å; F611-F891 AromaticContact CG-CG 3.72Å; F611-F891 HydrophobicContact CG-CG 3.72Å; F611-F891 HydrophobicContact CG-CZ 4.49Å; F611-F891 HydrophobicContact CZ-CB 3.87Å; F611-F891 HydrophobicContact CZ-CD2 4.5Å; F611-F891 HydrophobicContact CZ-CG 4.13Å; A877-F891 HydrophobicContact CB-CB 4.3Å; A877-F891 HydrophobicContact CB-CD1 3.99Å; A877-F891 PolarHBondContact N-O 2.81Å; A877-F891 PolarHBondContact O-N 2.91Å; F891-P907 HydrophobicContact CE2-CB 4.1Å; F891-Q908 WeakPolarHBondContact CA-O 3.32Å; F891-V909 HydrophobicContact CB-CG2 4.23Å; F891-V909 HydrophobicContact CD2-CG2 3.74Å; F891-V909 HydrophobicContact CG-CG2 4.39Å |
| 892 | D | 98 | Very high | 83.3 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 123.1 | 173 | -171.5 | -39.7 | 0 | 0 | 0 | 109.2 | H874 V876 F890 M894 A895 P907 Q908 R940 | H874-D892 IonicContact CD2-OD1 2.73Å; H874-D892 IonicContact CD2-OD2 2.7Å; H874-D892 IonicContact CE1-OD1 3.65Å; H874-D892 VanDerWaalsContact NE2-CG 3.28Å; H874-D892 IonicContact NE2-OD1 2.73Å; H874-D892 PolarHBondContact NE2-OD1 2.94Å; H874-D892 IonicContact NE2-OD2 3.64Å; H874-D892 PolarHBondContact NE2-OD2 2.78Å; V876-D892 HydrophobicContact CG1-CB 4.05Å; V876-D892 VanDerWaalsContact CG1-OD2 3.32Å; V876-D892 WeakPolarHBondContact CG1-OD2 3.27Å; F890-D892 HydrophobicContact CE1-CB 3.84Å; F890-D892 HydrophobicContact CZ-CB 4Å; D892-M894 VanDerWaalsContact C-N 3.26Å; D892-M894 PolarHBondContact O-N 2.96Å; D892-M894 PolarHBondContact OD1-N 2.87Å; D892-A895 HydrophobicContact CB-CB 4.05Å; D892-A895 PolarHBondContact OD1-N 2.85Å; D892-P907 WeakPolarHBondContact O-CA 3.42Å; D892-Q908 PolarHBondContact N-O 3.34Å; D892-Q908 VanDerWaalsContact N-O 3.08Å; D892-Q908 PolarHBondContact O-N 2.85Å; D892-R940 IonicContact OD2-NH1 3.11Å |
| 893 | S | 96.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -11.8 | -175.1 | 74.7 | 0 | 0 | 0 | 0 | 114 | I597 G599 D607 | I597-S893 VanDerWaalsContact O-CB 3.27Å; I597-S893 WeakPolarHBondContact O-CB 3.44Å; G599-S893 PolarHBondContact N-O 2.96Å; D607-S893 VanDerWaalsContact OD2-CB 3.25Å; D607-S893 WeakPolarHBondContact OD2-CB 3.37Å; D607-S893 PolarHBondContact OD2-OG 2.82Å |
| 894 | M | 92.9 | Very high | 81.6 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 31.7 | -176.9 | -50.5 | -168.7 | -161.9 | 0 | 0 | 112 | C604 D892 D896 N905 | C604-M894 HydrophobicContact CB-CE 4.15Å; D892-M894 VanDerWaalsContact C-N 3.26Å; D892-M894 PolarHBondContact O-N 2.96Å; D892-M894 PolarHBondContact OD1-N 2.87Å; M894-D896 PolarHBondContact O-N 3.12Å; M894-D896 VanDerWaalsContact O-N 3.17Å; M894-N905 HydrophobicContact CB-CB 4.36Å; M894-N905 HydrophobicContact CG-CB 4.37Å; M894-N905 PolarHBondContact SD-ND2 3.49Å; M894-N905 VanDerWaalsContact SD-ND2 3.45Å |
| 895 | A | 91.8 | Very high | 81.5 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | -25.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | D892 Q908 | D892-A895 HydrophobicContact CB-CB 4.05Å; D892-A895 PolarHBondContact OD1-N 2.85Å; A895-Q908 HydrophobicContact CB-CB 3.47Å; A895-Q908 VanDerWaalsContact CB-CB 3.47Å |
| 896 | D | 88.5 | Confident | 81.5 | Confident | 60 Ų | 60 | 42.5 Ų | 42.5 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 163.3 | -177.2 | -166.6 | 1.4 | 0 | 0 | 0 | 108.9 | K593 M894 N905 I906 | K593-D896 IonicContact NZ-OD2 3.14Å; K593-D896 PolarHBondContact NZ-OD2 2.71Å; M894-D896 PolarHBondContact O-N 3.12Å; M894-D896 VanDerWaalsContact O-N 3.17Å; D896-N905 WeakPolarHBondContact O-CA 3.5Å; D896-I906 HydrophobicContact CB-CB 4.21Å; D896-I906 PolarHBondContact N-O 3.34Å; D896-I906 PolarHBondContact O-N 2.97Å |
| 897 | R | 81.7 | Confident | 81.6 | Confident | 119 Ų | 119 | 39.7 Ų | 39.7 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 128.1 | -173.5 | -167.5 | 169.4 | -173.7 | -80.9 | -7.5 | 112.7 | G899 G900 G903 N905 | R897-G899 PolarHBondContact NH1-O 2.92Å; R897-G900 VanDerWaalsContact CZ-O 3.27Å; R897-G900 PolarHBondContact NH1-O 2.93Å; R897-G900 PolarHBondContact NH2-O 3.42Å; R897-G903 PolarHBondContact NH2-O 3.37Å; R897-N905 WeakPolarHBondContact CD-OD1 3.36Å; R897-N905 PolarHBondContact NE-OD1 2.79Å |
| 898 | D | 64.1 | Low | 81.8 | Confident | 83 Ų | 83 | 42.3 Ų | 42.3 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.9 | 179.5 | -171.2 | 3.4 | 0 | 0 | 0 | 110.2 | G903 F904 I906 | D898-G903 CarbonylContact O-C 3.25Å; D898-G903 WeakPolarHBondContact O-CA 3.45Å; D898-F904 HydrophobicContact CB-CE1 3.98Å; D898-F904 HydrophobicContact CB-CE2 3.96Å; D898-F904 HydrophobicContact CB-CZ 3.65Å; D898-F904 PolarHBondContact N-O 3Å; D898-F904 PolarHBondContact O-N 2.94Å; D898-F904 VanDerWaalsContact OD2-CZ 3.28Å; D898-F904 WeakPolarHBondContact OD2-CZ 3.05Å; D898-I906 HydrophobicContact CB-CD1 4.02Å |
| 899 | G | 62 | Low | 81.9 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 84.8 | 167.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | R897 | R897-G899 PolarHBondContact NH1-O 2.92Š|
| 900 | G | 52.6 | Low | 81.9 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 55% | 0.546 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -79.3 | -131.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R897 N902 G903 | R897-G900 VanDerWaalsContact CZ-O 3.27Å; R897-G900 PolarHBondContact NH1-O 2.93Å; R897-G900 PolarHBondContact NH2-O 3.42Å; G900-N902 VanDerWaalsContact C-N 3.29Å; G900-N902 PolarHBondContact O-N 3.32Å; G900-G903 WeakPolarHBondContact O-CA 3.06Å; G900-G903 PolarHBondContact O-N 3.23Å |
| 901 | Q | 46.1 | Very low | 81.8 | Confident | 171 Ų | 171 | 46.3 Ų | 46.3 | 80% | 0.799 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -43.9 | 177.6 | -72 | 167.2 | -28.3 | 0 | 0 | 112.4 | G903 | Q901-G903 PolarHBondContact O-N 3.14Š|
| 902 | N | 53.9 | Low | 81.6 | Confident | 104 Ų | 104 | 46.3 Ų | 46.3 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 10.4 | 174.6 | -76.1 | -73.6 | 0 | 0 | 0 | 114.5 | R560 G900 | R560-N902 PolarHBondContact NH1-OD1 2.9Å; G900-N902 VanDerWaalsContact C-N 3.29Å; G900-N902 PolarHBondContact O-N 3.32Å |
| 903 | G | 61.2 | Low | 81.5 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | trans | -81.2 | 162.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | R897 D898 G900 Q901 | R897-G903 PolarHBondContact NH2-O 3.37Å; D898-G903 CarbonylContact O-C 3.25Å; D898-G903 WeakPolarHBondContact O-CA 3.45Å; G900-G903 WeakPolarHBondContact O-CA 3.06Å; G900-G903 PolarHBondContact O-N 3.23Å; Q901-G903 PolarHBondContact O-N 3.14Å | ||
| 904 | F | 74.8 | Confident | 81.4 | Confident | 20 Ų | 20 | 51 Ų | 51 | 9% | 0.088 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 151.6 | 179.6 | 62.1 | -87.4 | 0 | 0 | 0 | 111.3 | F566 Y569 D898 I906 | F566-F904 HydrophobicContact CD1-CE1 4.22Å; F566-F904 HydrophobicContact CE1-CD1 4.39Å; F566-F904 AromaticContact CE1-CE1 3.78Å; F566-F904 HydrophobicContact CE1-CE1 3.78Å; Y569-F904 HydrophobicContact CD1-CE2 4.05Å; Y569-F904 HydrophobicContact CE1-CD2 4.32Å; Y569-F904 AromaticContact CE1-CE2 3.56Å; Y569-F904 HydrophobicContact CE1-CE2 3.56Å; Y569-F904 HydrophobicContact CE1-CZ 4.33Å; Y569-F904 HydrophobicContact CE2-CE2 4.09Å; Y569-F904 HydrophobicContact CE2-CZ 4.04Å; Y569-F904 AromaticContact CZ-CE2 3.56Å; Y569-F904 AromaticContact CZ-CZ 3.92Å; D898-F904 HydrophobicContact CB-CE1 3.98Å; D898-F904 HydrophobicContact CB-CE2 3.96Å; D898-F904 HydrophobicContact CB-CZ 3.65Å; D898-F904 PolarHBondContact N-O 3Å; D898-F904 PolarHBondContact O-N 2.94Å; D898-F904 VanDerWaalsContact OD2-CZ 3.28Å; D898-F904 WeakPolarHBondContact OD2-CZ 3.05Å; F904-I906 HydrophobicContact CD2-CG1 4.31Å; F904-I906 HydrophobicContact CE2-CD1 4.34Å; F904-I906 HydrophobicContact CE2-CG1 3.9Å |
| 905 | N | 86.1 | Confident | 81.6 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 148.9 | 178 | -53.9 | -30.5 | 0 | 0 | 0 | 110.5 | Q598 G599 M894 D896 R897 | Q598-N905 WeakPolarHBondContact CG-O 3.49Å; Q598-N905 PolarHBondContact NE2-O 3.16Å; G599-N905 WeakPolarHBondContact O-CB 3.43Å; G599-N905 PolarHBondContact O-ND2 3.29Å; M894-N905 HydrophobicContact CB-CB 4.36Å; M894-N905 HydrophobicContact CG-CB 4.37Å; M894-N905 PolarHBondContact SD-ND2 3.49Å; M894-N905 VanDerWaalsContact SD-ND2 3.45Å; D896-N905 WeakPolarHBondContact O-CA 3.5Å; R897-N905 WeakPolarHBondContact CD-OD1 3.36Å; R897-N905 PolarHBondContact NE-OD1 2.79Å |
| 906 | I | 88.1 | Confident | 81.6 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114 | 173.8 | -64.3 | 174.3 | 0 | 0 | 0 | 107.3 | Y569 K594 D896 D898 F904 | Y569-I906 HydrophobicContact CE1-CG1 4.46Å; K594-I906 HydrophobicContact CB-CG2 4.1Å; D896-I906 HydrophobicContact CB-CB 4.21Å; D896-I906 PolarHBondContact N-O 3.34Å; D896-I906 PolarHBondContact O-N 2.97Å; D898-I906 HydrophobicContact CB-CD1 4.02Å; F904-I906 HydrophobicContact CD2-CG1 4.31Å; F904-I906 HydrophobicContact CE2-CD1 4.34Å; F904-I906 HydrophobicContact CE2-CG1 3.9Å |
| 907 | P | 95.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 153.4 | 178.1 | 35 | -38.2 | 0 | 0 | 0 | 110.5 | K594 K595 I597 Q598 Y656 F891 D892 | K594-P907 VanDerWaalsContact CA-O 3.24Å; K594-P907 WeakPolarHBondContact CA-O 3.39Å; K594-P907 PolarHBondContact N-O 2.84Å; K595-P907 PolarHBondContact N-O 2.83Å; K595-P907 CarbonylContact O-C 3.59Å; K595-P907 VanDerWaalsContact O-CB 3.28Å; K595-P907 WeakPolarHBondContact O-CB 3.45Å; K595-P907 WeakPolarHBondContact O-CG 3.28Å; I597-P907 WeakPolarHBondContact O-CB 3.44Å; Q598-P907 HydrophobicContact CB-CG 4.07Å; Y656-P907 HydrophobicContact CD2-CG 4.16Å; Y656-P907 HydrophobicContact CE2-CG 3.86Å; F891-P907 HydrophobicContact CE2-CB 4.1Å; D892-P907 WeakPolarHBondContact O-CA 3.42Å |
| 908 | Q | 96.9 | Very high | 82.5 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.3 | 178.1 | -172.6 | 174 | -55.2 | 0 | 0 | 111.3 | K593 F891 D892 A895 | K593-Q908 VanDerWaalsContact CE-OE1 3.29Å; K593-Q908 HydrophobicContact CG-CG 4.22Å; F891-Q908 WeakPolarHBondContact CA-O 3.32Å; D892-Q908 PolarHBondContact N-O 3.34Å; D892-Q908 VanDerWaalsContact N-O 3.08Å; D892-Q908 PolarHBondContact O-N 2.85Å; A895-Q908 HydrophobicContact CB-CB 3.47Å; A895-Q908 VanDerWaalsContact CB-CB 3.47Å |
| 909 | V | 97.8 | Very high | 84 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.1 | 167 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | M590 V591 G592 K595 F611 L889 F890 F891 | M590-V909 WeakPolarHBondContact O-CB 3.19Å; M590-V909 WeakPolarHBondContact O-CG1 3.45Å; V591-V909 HydrophobicContact CG2-CG1 4.4Å; G592-V909 PolarHBondContact N-O 3.11Å; G592-V909 PolarHBondContact O-N 2.91Å; K595-V909 HydrophobicContact CB-CB 4.1Å; K595-V909 HydrophobicContact CB-CG2 3.98Å; F611-V909 HydrophobicContact CE2-CG2 3.92Å; F611-V909 HydrophobicContact CZ-CG1 4.4Å; F611-V909 HydrophobicContact CZ-CG2 3.83Å; L889-V909 HydrophobicContact CB-CG1 4.13Å; L889-V909 HydrophobicContact CD1-CG1 3.96Å; L889-V909 HydrophobicContact CD2-CG1 4.11Å; L889-V909 HydrophobicContact CG-CG1 4.29Å; F890-V909 CarbonylContact O-C 3.59Å; F890-V909 WeakPolarHBondContact O-CA 3.43Å; F891-V909 HydrophobicContact CB-CG2 4.23Å; F891-V909 HydrophobicContact CD2-CG2 3.74Å; F891-V909 HydrophobicContact CG-CG2 4.39Å |
| 910 | S | 95.8 | Very high | 85.6 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139 | -178.5 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | F890 C912 | F890-S910 PolarHBondContact N-O 3.43Å; F890-S910 PolarHBondContact O-N 2.95Å; S910-C912 PolarHBondContact O-N 2.78Å |
| 911 | P | 95.1 | Very high | 87.5 | Confident | 68 Ų | 68 | 43 Ų | 43 | 44% | 0.442 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 135.4 | 169.8 | -17.8 | 32.3 | 0 | 0 | 0 | 110.7 | V591 L889 P913 | V591-P911 HydrophobicContact CG1-CG 3.99Å; V591-P911 HydrophobicContact CG2-CG 4.27Å; L889-P911 HydrophobicContact CD2-CB 4.37Å; L889-P911 HydrophobicContact CD2-CG 4.3Å; P911-P913 VanDerWaalsContact C-CD 3.4Å |
| 912 | C | 95.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -127.4 | 59.2 | 175.5 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | W888 L889 F890 S910 E914 V915 Q937 | W888-C912 PolarHBondContact O-N 2.94Å; L889-C912 VanDerWaalsContact C-SG 3.52Å; F890-C912 HydrophobicContact CB-CB 4.26Å; F890-C912 PolarHBondContact N-SG 3.35Å; F890-C912 VanDerWaalsContact N-SG 3.4Å; S910-C912 PolarHBondContact O-N 2.78Å; C912-E914 WeakPolarHBondContact CA-OE2 3.45Å; C912-E914 WeakPolarHBondContact CB-OE1 3.22Å; C912-E914 PolarHBondContact O-N 3.18Å; C912-E914 VanDerWaalsContact O-N 3.07Å; C912-V915 HydrophobicContact CB-CG2 4.05Å; C912-V915 VanDerWaalsContact O-CB 3.28Å; C912-V915 WeakPolarHBondContact O-CB 3.44Å; C912-V915 WeakPolarHBondContact O-CG2 3.34Å; C912-V915 PolarHBondContact O-N 2.89Å; C912-Q937 HydrophobicContact CB-CB 4.28Å | ||
| 913 | P | 94.4 | Very high | 91.6 | Very high | 67 Ų | 67 | 33.9 Ų | 33.9 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.6 | -176.3 | 29 | -37 | 0 | 0 | 0 | 113.5 | P911 V915 G916 | P911-P913 VanDerWaalsContact C-CD 3.4Å; P913-V915 PolarHBondContact O-N 2.67Å; P913-G916 PolarHBondContact O-N 3.12Å |
| 914 | E | 95 | Very high | 93 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.3 | 173 | 74.6 | -74.3 | 179.2 | 0 | 0 | 112.8 | C912 G916 A917 Y918 G936 Q937 A938 | C912-E914 WeakPolarHBondContact CA-OE2 3.45Å; C912-E914 WeakPolarHBondContact CB-OE1 3.22Å; C912-E914 PolarHBondContact O-N 3.18Å; C912-E914 VanDerWaalsContact O-N 3.07Å; E914-G916 PolarHBondContact O-N 3.01Å; E914-A917 WeakPolarHBondContact O-CB 3.13Å; E914-A917 PolarHBondContact O-N 3.09Å; E914-Y918 VanDerWaalsContact O-CD2 3.24Å; E914-Y918 WeakPolarHBondContact O-CD2 3.29Å; E914-Y918 PolarHBondContact O-N 2.78Å; E914-Y918 VanDerWaalsContact O-N 3.11Å; E914-G936 WeakPolarHBondContact OE1-CA 3.5Å; E914-Q937 PolarHBondContact OE1-N 2.87Å; E914-A938 HydrophobicContact CG-CB 4.19Å |
| 915 | V | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.4 | -43.8 | 170.2 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | F878 W888 C912 P913 A917 Y918 L919 A938 L941 | F878-V915 HydrophobicContact CD1-CG2 4.15Å; F878-V915 HydrophobicContact CE1-CG2 4.06Å; W888-V915 HydrophobicContact CB-CB 4.18Å; W888-V915 HydrophobicContact CB-CG1 4.37Å; W888-V915 HydrophobicContact CD2-CG1 3.78Å; W888-V915 HydrophobicContact CE3-CG1 4.45Å; W888-V915 HydrophobicContact CG-CB 3.99Å; W888-V915 HydrophobicContact CG-CG1 3.71Å; C912-V915 HydrophobicContact CB-CG2 4.05Å; C912-V915 VanDerWaalsContact O-CB 3.28Å; C912-V915 WeakPolarHBondContact O-CB 3.44Å; C912-V915 WeakPolarHBondContact O-CG2 3.34Å; C912-V915 PolarHBondContact O-N 2.89Å; P913-V915 PolarHBondContact O-N 2.67Å; V915-A917 PolarHBondContact O-N 2.99Å; V915-Y918 PolarHBondContact O-N 2.91Å; V915-L919 HydrophobicContact CG1-CD1 3.71Å; V915-L919 HydrophobicContact CG1-CG 4.25Å; V915-L919 WeakPolarHBondContact O-CB 3.34Å; V915-L919 WeakPolarHBondContact O-CG 3.27Å; V915-L919 PolarHBondContact O-N 3.07Å; V915-A938 HydrophobicContact CG2-CB 4.06Å; V915-L941 HydrophobicContact CG1-CD1 3.73Å; V915-L941 HydrophobicContact CG1-CD2 4.11Å; V915-L941 HydrophobicContact CG1-CG 4.46Å |
| 916 | G | 93.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.5 | -16.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D885 P913 E914 K920 | D885-G916 WeakPolarHBondContact O-CA 3.46Å; P913-G916 PolarHBondContact O-N 3.12Å; E914-G916 PolarHBondContact O-N 3.01Å; G916-K920 WeakPolarHBondContact O-CD 3.2Å; G916-K920 WeakPolarHBondContact O-CE 3.41Å; G916-K920 WeakPolarHBondContact O-CG 3.42Å |
| 917 | A | 93.6 | Very high | 94.3 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -84.4 | -46.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E914 V915 L919 K920 | E914-A917 WeakPolarHBondContact O-CB 3.13Å; E914-A917 PolarHBondContact O-N 3.09Å; V915-A917 PolarHBondContact O-N 2.99Å; A917-L919 VanDerWaalsContact C-N 3.35Å; A917-L919 PolarHBondContact O-N 3.45Å; A917-K920 WeakPolarHBondContact O-CB 3.42Å; A917-K920 PolarHBondContact O-N 3.14Å; A917-K920 VanDerWaalsContact O-N 3.15Å |
| 918 | Y | 95.5 | Very high | 94.2 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 12% | 0.122 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 177.5 | -71.6 | -70.2 | 0 | 0 | 0 | 112.7 | E914 V915 K920 M921 L926 L929 I934 Q935 A938 | E914-Y918 VanDerWaalsContact O-CD2 3.24Å; E914-Y918 WeakPolarHBondContact O-CD2 3.29Å; E914-Y918 PolarHBondContact O-N 2.78Å; E914-Y918 VanDerWaalsContact O-N 3.11Å; V915-Y918 PolarHBondContact O-N 2.91Å; Y918-K920 PolarHBondContact O-N 2.96Å; Y918-K920 VanDerWaalsContact O-N 3.15Å; Y918-M921 HydrophobicContact CD1-SD 3.65Å; Y918-M921 HydrophobicContact CE1-SD 4.14Å; Y918-M921 WeakPolarHBondContact O-CB 3.49Å; Y918-M921 PolarHBondContact O-N 3.09Å; Y918-M921 VanDerWaalsContact O-N 3.11Å; Y918-L926 HydrophobicContact CD1-CD2 3.95Å; Y918-L929 HydrophobicContact CD1-CD2 4.44Å; Y918-L929 HydrophobicContact CE1-CD2 3.77Å; Y918-I934 HydrophobicContact CD1-CG2 4.45Å; Y918-I934 HydrophobicContact CD2-CG2 4.08Å; Y918-I934 HydrophobicContact CE1-CG2 4.19Å; Y918-I934 HydrophobicContact CE2-CG2 3.77Å; Y918-I934 HydrophobicContact CG-CG2 4.42Å; Y918-Q935 HydrophobicContact CE2-CB 4.35Å; Y918-Q935 PolarHBondContact OH-N 2.67Å; Y918-A938 HydrophobicContact CD2-CB 3.38Å; Y918-A938 HydrophobicContact CE2-CB 3.91Å; Y918-A938 HydrophobicContact CG-CB 4.22Å |
| 919 | L | 95.1 | Very high | 94 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 4.2 | 175.2 | -64.1 | 178.8 | 0 | 0 | 0 | 114.5 | F773 P774 L776 W888 V915 A917 L941 L942 | F773-L919 HydrophobicContact CD2-CD2 4.31Å; F773-L919 HydrophobicContact CE2-CD2 4.02Å; F773-L919 HydrophobicContact CZ-CD2 4.21Å; P774-L919 HydrophobicContact CG-CD2 3.93Å; L776-L919 HydrophobicContact CD2-CD1 3.81Å; W888-L919 HydrophobicContact CZ2-CD1 3.95Å; V915-L919 HydrophobicContact CG1-CD1 3.71Å; V915-L919 HydrophobicContact CG1-CG 4.25Å; V915-L919 WeakPolarHBondContact O-CB 3.34Å; V915-L919 WeakPolarHBondContact O-CG 3.27Å; V915-L919 PolarHBondContact O-N 3.07Å; A917-L919 VanDerWaalsContact C-N 3.35Å; A917-L919 PolarHBondContact O-N 3.45Å; L919-L941 HydrophobicContact CD1-CD2 4.24Å; L919-L941 HydrophobicContact CD2-CD2 4.07Å; L919-L941 HydrophobicContact CG-CD2 4.38Å; L919-L942 HydrophobicContact CD2-CD2 4.22Å |
| 920 | K | 94.2 | Very high | 93.6 | Very high | 135 Ų | 135 | 54.8 Ų | 54.8 | 59% | 0.587 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -16.6 | 166.9 | -68.6 | 177.2 | -177.2 | -167.4 | 0 | 113.7 | D885 G916 A917 Y918 | D885-K920 WeakPolarHBondContact OD2-CE 3.1Å; D885-K920 IonicContact OD2-NZ 3.63Å; D885-K920 PolarHBondContact OD2-NZ 3.32Å; G916-K920 WeakPolarHBondContact O-CD 3.2Å; G916-K920 WeakPolarHBondContact O-CE 3.41Å; G916-K920 WeakPolarHBondContact O-CG 3.42Å; A917-K920 WeakPolarHBondContact O-CB 3.42Å; A917-K920 PolarHBondContact O-N 3.14Å; A917-K920 VanDerWaalsContact O-N 3.15Å; Y918-K920 PolarHBondContact O-N 2.96Å; Y918-K920 VanDerWaalsContact O-N 3.15Å |
| 921 | M | 94.1 | Very high | 93.3 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -73 | 153.7 | 174.6 | -63.6 | 176.4 | 62.8 | 0 | 0 | 110.3 | F773 Y918 E925 L926 | F773-M921 WeakPolarHBondContact CE2-O 3.43Å; Y918-M921 HydrophobicContact CD1-SD 3.65Å; Y918-M921 HydrophobicContact CE1-SD 4.14Å; Y918-M921 WeakPolarHBondContact O-CB 3.49Å; Y918-M921 PolarHBondContact O-N 3.09Å; Y918-M921 VanDerWaalsContact O-N 3.11Å; M921-E925 VanDerWaalsContact CA-OE2 3.24Å; M921-E925 WeakPolarHBondContact CA-OE2 3.4Å; M921-E925 HydrophobicContact CB-CB 4.28Å; M921-E925 WeakPolarHBondContact CB-OE2 3.35Å; M921-E925 HydrophobicContact CE-CB 3.72Å; M921-L926 HydrophobicContact CB-CD1 4.21Å; M921-L926 HydrophobicContact CB-CD2 4.06Å; M921-L926 HydrophobicContact CB-CG 3.81Å; M921-L926 HydrophobicContact CE-CD2 4.09Å; M921-L926 HydrophobicContact CE-CG 4.46Å; M921-L926 HydrophobicContact SD-CD2 3.88Å |
| 922 | T | 93.2 | Very high | 93.1 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 36% | 0.356 | 33% | 0.327 | S | S | . | . | trans | -75 | 157.6 | 175 | 91.2 | 0 | 0 | 0 | 0 | 111.2 | E924 E925 L926 | T922-E924 WeakPolarHBondContact CB-OE2 3.42Å; T922-E924 PolarHBondContact O-N 3.22Å; T922-E924 PolarHBondContact OG1-N 2.85Å; T922-E924 PolarHBondContact OG1-OE2 3.08Å; T922-E925 HydrophobicContact CG2-CG 4.4Å; T922-E925 PolarHBondContact N-OE2 3.03Å; T922-E925 PolarHBondContact O-N 2.85Å; T922-E925 PolarHBondContact OG1-N 2.86Å; T922-L926 WeakPolarHBondContact O-CG 3.47Å; T922-L926 PolarHBondContact O-N 2.8Å | ||
| 923 | P | 92.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 63.4 Ų | 63.4 | 16% | 0.162 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -28.5 | 174.5 | -24.3 | 35.1 | 0 | 0 | 0 | 113.4 | V730 T732 H927 | V730-P923 HydrophobicContact CB-CB 4.29Å; V730-P923 HydrophobicContact CG1-CB 4.38Å; V730-P923 WeakPolarHBondContact O-CB 3.17Å; T732-P923 HydrophobicContact CG2-CG 3.8Å; P923-H927 WeakPolarHBondContact O-CB 3.28Å; P923-H927 PolarHBondContact O-N 3.26Å |
| 924 | E | 91 | Very high | 92.8 | Very high | 132 Ų | 132 | 60.7 Ų | 60.7 | 62% | 0.617 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -71.8 | -44 | 176.2 | -57.7 | 72.7 | -157.4 | 0 | 0 | 112 | T922 L926 H927 A928 | T922-E924 WeakPolarHBondContact CB-OE2 3.42Å; T922-E924 PolarHBondContact O-N 3.22Å; T922-E924 PolarHBondContact OG1-N 2.85Å; T922-E924 PolarHBondContact OG1-OE2 3.08Å; E924-L926 VanDerWaalsContact C-N 3.34Å; E924-H927 WeakPolarHBondContact O-CB 3.17Å; E924-H927 PolarHBondContact O-N 2.68Å; E924-H927 VanDerWaalsContact O-N 3.16Å; E924-A928 PolarHBondContact O-N 3.39Å; E924-A928 VanDerWaalsContact O-N 3.12Å |
| 925 | E | 93.1 | Very high | 92.5 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 173.8 | -63.4 | 176.3 | 141.4 | 0 | 0 | 110.9 | M921 T922 H927 A928 L929 | M921-E925 VanDerWaalsContact CA-OE2 3.24Å; M921-E925 WeakPolarHBondContact CA-OE2 3.4Å; M921-E925 HydrophobicContact CB-CB 4.28Å; M921-E925 WeakPolarHBondContact CB-OE2 3.35Å; M921-E925 HydrophobicContact CE-CB 3.72Å; T922-E925 HydrophobicContact CG2-CG 4.4Å; T922-E925 PolarHBondContact N-OE2 3.03Å; T922-E925 PolarHBondContact O-N 2.85Å; T922-E925 PolarHBondContact OG1-N 2.86Å; E925-H927 VanDerWaalsContact C-N 3.28Å; E925-H927 PolarHBondContact O-N 2.9Å; E925-A928 PolarHBondContact O-N 3.37Å; E925-L929 PolarHBondContact O-N 2.9Å |
| 926 | L | 92.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.2 | -23.7 | 174.9 | -68.1 | 168.6 | 0 | 0 | 0 | 112.8 | K771 F773 Y918 M921 T922 E924 L942 | K771-L926 WeakPolarHBondContact CD-O 3.37Å; K771-L926 WeakPolarHBondContact CE-O 3.43Å; K771-L926 PolarHBondContact NZ-O 2.94Å; F773-L926 HydrophobicContact CD2-CD1 3.5Å; F773-L926 HydrophobicContact CE2-CD1 3.76Å; Y918-L926 HydrophobicContact CD1-CD2 3.95Å; M921-L926 HydrophobicContact CB-CD1 4.21Å; M921-L926 HydrophobicContact CB-CD2 4.06Å; M921-L926 HydrophobicContact CB-CG 3.81Å; M921-L926 HydrophobicContact CE-CD2 4.09Å; M921-L926 HydrophobicContact CE-CG 4.46Å; M921-L926 HydrophobicContact SD-CD2 3.88Å; T922-L926 WeakPolarHBondContact O-CG 3.47Å; T922-L926 PolarHBondContact O-N 2.8Å; E924-L926 VanDerWaalsContact C-N 3.34Å; L926-L942 HydrophobicContact CD2-CD1 4.08Å |
| 927 | H | 91.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69 | -47.8 | 172.1 | -173.5 | 57.3 | 0 | 0 | 0 | 110.8 | G729 V730 K771 P923 E924 E925 L929 | G729-H927 VanDerWaalsContact C-ND1 3.34Å; G729-H927 WeakPolarHBondContact CA-CE1 3.42Å; G729-H927 VanDerWaalsContact CA-ND1 3.35Å; G729-H927 WeakPolarHBondContact CA-ND1 3.44Å; G729-H927 PolarHBondContact O-ND1 2.82Å; V730-H927 HydrophobicContact CG2-CB 3.76Å; K771-H927 PolarHBondContact NZ-O 3.22Å; P923-H927 WeakPolarHBondContact O-CB 3.28Å; P923-H927 PolarHBondContact O-N 3.26Å; E924-H927 WeakPolarHBondContact O-CB 3.17Å; E924-H927 PolarHBondContact O-N 2.68Å; E924-H927 VanDerWaalsContact O-N 3.16Å; E925-H927 VanDerWaalsContact C-N 3.28Å; E925-H927 PolarHBondContact O-N 2.9Å; H927-L929 VanDerWaalsContact C-N 3.27Å; H927-L929 PolarHBondContact O-N 2.9Å |
| 928 | A | 91.8 | Very high | 92.2 | Very high | 90 Ų | 90 | 66.6 Ų | 66.6 | 74% | 0.744 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.6 | -25.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E924 E925 | E924-A928 PolarHBondContact O-N 3.39Å; E924-A928 VanDerWaalsContact O-N 3.12Å; E925-A928 PolarHBondContact O-N 3.37Å |
| 929 | L | 93.1 | Very high | 92.2 | Very high | 54 Ų | 54 | 69.4 Ų | 69.4 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -75.3 | 131.9 | -179.4 | -146.7 | 76.4 | 0 | 0 | 0 | 112.5 | K771 Y918 E925 H927 I934 | K771-L929 WeakPolarHBondContact CE-O 3.26Å; K771-L929 PolarHBondContact NZ-O 2.75Å; Y918-L929 HydrophobicContact CD1-CD2 4.44Å; Y918-L929 HydrophobicContact CE1-CD2 3.77Å; E925-L929 PolarHBondContact O-N 2.9Å; H927-L929 VanDerWaalsContact C-N 3.27Å; H927-L929 PolarHBondContact O-N 2.9Å; L929-I934 HydrophobicContact CD2-CG1 4.07Å |
| 930 | D | 90.4 | Very high | 92.2 | Very high | 85 Ų | 85 | 70.4 Ų | 70.4 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | trans | -64.8 | 127.2 | 173.2 | 177.9 | -4.9 | 0 | 0 | 0 | 110.1 | K932 S933 | D930-K932 PolarHBondContact O-N 2.68Å; D930-K932 WeakPolarHBondContact OD1-CB 3.15Å; D930-K932 PolarHBondContact OD1-N 3.13Å; D930-S933 PolarHBondContact O-N 2.73Å; D930-S933 PolarHBondContact O-OG 2.76Å | ||
| 931 | P | 89.4 | Confident | 92.3 | Very high | 43 Ų | 43 | 64 Ų | 64 | 28% | 0.279 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -31.3 | 169.4 | -28.4 | 32.9 | 0 | 0 | 0 | 116 | S933 | P931-S933 VanDerWaalsContact C-N 3.33Š|
| 932 | K | 90.1 | Very high | 92.4 | Very high | 182 Ų | 182 | 61.8 Ų | 61.8 | 79% | 0.791 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20 | 177.3 | -61.4 | -179.7 | 177.6 | -176.9 | 0 | 113.9 | D930 | D930-K932 PolarHBondContact O-N 2.68Å; D930-K932 WeakPolarHBondContact OD1-CB 3.15Å; D930-K932 PolarHBondContact OD1-N 3.13Å |
| 933 | S | 91 | Very high | 92.5 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -11.7 | 179.2 | 70.3 | 0 | 0 | 0 | 0 | 113.7 | D930 P931 Q935 | D930-S933 PolarHBondContact O-N 2.73Å; D930-S933 PolarHBondContact O-OG 2.76Å; P931-S933 VanDerWaalsContact C-N 3.33Å; S933-Q935 PolarHBondContact O-N 3.47Å; S933-Q935 PolarHBondContact O-NE2 2.72Å |
| 934 | I | 91.9 | Very high | 92.6 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.046 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.4 | 121.2 | 175.1 | -57.1 | 173.1 | 0 | 0 | 0 | 108.8 | K771 Y918 L929 A938 R939 L942 | K771-I934 HydrophobicContact CD-CD1 4.35Å; Y918-I934 HydrophobicContact CD1-CG2 4.45Å; Y918-I934 HydrophobicContact CD2-CG2 4.08Å; Y918-I934 HydrophobicContact CE1-CG2 4.19Å; Y918-I934 HydrophobicContact CE2-CG2 3.77Å; Y918-I934 HydrophobicContact CG-CG2 4.42Å; L929-I934 HydrophobicContact CD2-CG1 4.07Å; I934-A938 HydrophobicContact CG2-CB 3.8Å; I934-R939 HydrophobicContact CB-CB 4.19Å; I934-R939 HydrophobicContact CG2-CB 4.19Å; I934-R939 VanDerWaalsContact CG2-N 3.33Å; I934-L942 HydrophobicContact CD1-CD1 4.15Å |
| 935 | Q | 88.7 | Confident | 92.9 | Very high | 123 Ų | 123 | 52.2 Ų | 52.2 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | trans | -77.5 | 152.7 | -175.8 | -59.6 | -58.3 | -67.5 | 0 | 0 | 112.5 | Y918 S933 | Y918-Q935 HydrophobicContact CE2-CB 4.35Å; Y918-Q935 PolarHBondContact OH-N 2.67Å; S933-Q935 PolarHBondContact O-N 3.47Å; S933-Q935 PolarHBondContact O-NE2 2.72Å | ||
| 936 | G | 89.3 | Confident | 93 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -143.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E914 A938 | E914-G936 WeakPolarHBondContact OE1-CA 3.5Å; G936-A938 VanDerWaalsContact C-N 3.34Å |
| 937 | Q | 93.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 28% | 0.276 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -10.1 | -177.3 | -63.5 | -65.4 | -9 | 0 | 0 | 112.8 | F878 F890 C912 E914 R939 R940 L941 | F878-Q937 HydrophobicContact CE1-CB 3.67Å; F878-Q937 HydrophobicContact CZ-CB 3.85Å; F878-Q937 WeakPolarHBondContact CZ-O 3.1Å; F890-Q937 HydrophobicContact CB-CB 4.29Å; F890-Q937 HydrophobicContact CB-CG 4.1Å; F890-Q937 HydrophobicContact CD1-CG 3.82Å; F890-Q937 HydrophobicContact CD2-CB 4.09Å; F890-Q937 HydrophobicContact CD2-CG 4.06Å; F890-Q937 HydrophobicContact CE1-CG 4.26Å; F890-Q937 HydrophobicContact CE2-CG 4.46Å; F890-Q937 HydrophobicContact CG-CB 4.1Å; F890-Q937 HydrophobicContact CG-CG 3.71Å; C912-Q937 HydrophobicContact CB-CB 4.28Å; E914-Q937 PolarHBondContact OE1-N 2.87Å; Q937-R939 PolarHBondContact O-N 3.47Å; Q937-R939 VanDerWaalsContact O-N 3.1Å; Q937-R940 PolarHBondContact O-N 2.76Å; Q937-L941 PolarHBondContact O-N 2.78Å |
| 938 | A | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -25.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E914 V915 Y918 I934 G936 R940 L941 L942 | E914-A938 HydrophobicContact CG-CB 4.19Å; V915-A938 HydrophobicContact CG2-CB 4.06Å; Y918-A938 HydrophobicContact CD2-CB 3.38Å; Y918-A938 HydrophobicContact CE2-CB 3.91Å; Y918-A938 HydrophobicContact CG-CB 4.22Å; I934-A938 HydrophobicContact CG2-CB 3.8Å; G936-A938 VanDerWaalsContact C-N 3.34Å; A938-R940 VanDerWaalsContact C-N 3.32Å; A938-R940 PolarHBondContact O-N 2.87Å; A938-L941 PolarHBondContact O-N 3.32Å; A938-L942 WeakPolarHBondContact O-CG 3.25Å; A938-L942 PolarHBondContact O-N 3.03Å; A938-L942 VanDerWaalsContact O-N 3.08Å |
| 939 | R | 95.4 | Very high | 94 | Very high | 89 Ų | 89 | 39.3 Ų | 39.3 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.9 | -47.5 | 170 | 176.4 | -176.9 | 167.1 | -90 | -5.8 | 111 | E871 I934 Q937 L942 C943 | E871-R939 IonicContact OE1-CZ 2.79Å; E871-R939 IonicContact OE1-NH1 2.84Å; E871-R939 PolarHBondContact OE1-NH1 3.37Å; E871-R939 IonicContact OE1-NH2 3.69Å; E871-R939 PolarHBondContact OE1-NH2 3.2Å; E871-R939 IonicContact OE2-NH1 3.91Å; I934-R939 HydrophobicContact CB-CB 4.19Å; I934-R939 HydrophobicContact CG2-CB 4.19Å; I934-R939 VanDerWaalsContact CG2-N 3.33Å; Q937-R939 PolarHBondContact O-N 3.47Å; Q937-R939 VanDerWaalsContact O-N 3.1Å; R939-L942 PolarHBondContact O-N 3.27Å; R939-C943 WeakPolarHBondContact O-CB 3.31Å; R939-C943 PolarHBondContact O-N 3.45Å; R939-C943 PolarHBondContact O-SG 2.61Å; R939-C943 VanDerWaalsContact O-SG 3.41Å |
| 940 | R | 95.4 | Very high | 94.2 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72 | -37.9 | -176.8 | -56.7 | -175.3 | 81.8 | -161.8 | -4 | 111.3 | E871 F878 D892 Q937 A938 L942 D944 A945 | E871-R940 IonicContact OE2-NE 2.69Å; E871-R940 PolarHBondContact OE2-NE 2.75Å; F878-R940 HydrophobicContact CE2-CB 4.15Å; F878-R940 HydrophobicContact CZ-CB 4.05Å; D892-R940 IonicContact OD2-NH1 3.11Å; Q937-R940 PolarHBondContact O-N 2.76Å; A938-R940 VanDerWaalsContact C-N 3.32Å; A938-R940 PolarHBondContact O-N 2.87Å; R940-L942 VanDerWaalsContact C-N 3.34Å; R940-L942 PolarHBondContact O-N 2.74Å; R940-D944 WeakPolarHBondContact CA-OD2 3.22Å; R940-D944 HydrophobicContact CB-CB 4.28Å; R940-D944 CarbonylContact O-C 3.57Å; R940-D944 WeakPolarHBondContact O-CA 3.37Å; R940-D944 WeakPolarHBondContact O-CB 3.4Å; R940-D944 PolarHBondContact O-N 3.2Å; R940-A945 PolarHBondContact O-N 3.24Å |
| 941 | L | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.2 | 179.9 | 135.1 | 0 | 0 | 0 | 112.7 | P774 V867 F878 W888 V915 L919 Q937 A938 A945 | P774-L941 HydrophobicContact CG-CD2 3.64Å; P774-L941 HydrophobicContact CG-CG 4.28Å; V867-L941 HydrophobicContact CB-CD1 4.34Å; V867-L941 HydrophobicContact CG2-CD1 4.23Å; F878-L941 HydrophobicContact CB-CD1 3.76Å; F878-L941 HydrophobicContact CD1-CB 4.09Å; F878-L941 HydrophobicContact CD1-CD1 3.77Å; F878-L941 HydrophobicContact CD2-CB 4.07Å; F878-L941 HydrophobicContact CD2-CD1 4.19Å; F878-L941 HydrophobicContact CE1-CB 3.91Å; F878-L941 HydrophobicContact CE1-CD1 4.42Å; F878-L941 HydrophobicContact CE2-CB 3.91Å; F878-L941 HydrophobicContact CG-CB 4.17Å; F878-L941 HydrophobicContact CG-CD1 3.64Å; F878-L941 HydrophobicContact CG-CG 4.45Å; F878-L941 HydrophobicContact CZ-CB 3.83Å; W888-L941 HydrophobicContact CZ3-CD1 4.31Å; V915-L941 HydrophobicContact CG1-CD1 3.73Å; V915-L941 HydrophobicContact CG1-CD2 4.11Å; V915-L941 HydrophobicContact CG1-CG 4.46Å; L919-L941 HydrophobicContact CD1-CD2 4.24Å; L919-L941 HydrophobicContact CD2-CD2 4.07Å; L919-L941 HydrophobicContact CG-CD2 4.38Å; Q937-L941 PolarHBondContact O-N 2.78Å; A938-L941 PolarHBondContact O-N 3.32Å; L941-A945 WeakPolarHBondContact O-CB 3.43Å |
| 942 | L | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -84.2 | -35 | -177.4 | -67.2 | 170.6 | 0 | 0 | 0 | 113.8 | K771 I772 L919 L926 I934 A938 R939 R940 | K771-L942 CarbonylContact C-O 3.57Å; K771-L942 VanDerWaalsContact CA-O 3.26Å; K771-L942 WeakPolarHBondContact CA-O 3.42Å; I772-L942 PolarHBondContact N-O 2.86Å; L919-L942 HydrophobicContact CD2-CD2 4.22Å; L926-L942 HydrophobicContact CD2-CD1 4.08Å; I934-L942 HydrophobicContact CD1-CD1 4.15Å; A938-L942 WeakPolarHBondContact O-CG 3.25Å; A938-L942 PolarHBondContact O-N 3.03Å; A938-L942 VanDerWaalsContact O-N 3.08Å; R939-L942 PolarHBondContact O-N 3.27Å; R940-L942 VanDerWaalsContact C-N 3.34Å; R940-L942 PolarHBondContact O-N 2.74Å |
| 943 | C | 94.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 8% | 0.081 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -101.9 | -21.9 | -174.4 | -57.7 | 0 | 0 | 0 | 0 | 113.8 | R761 K767 R939 | R761-C943 PolarHBondContact NH2-O 3.11Å; K767-C943 PolarHBondContact NZ-O 2.97Å; R939-C943 WeakPolarHBondContact O-CB 3.31Å; R939-C943 PolarHBondContact O-N 3.45Å; R939-C943 PolarHBondContact O-SG 2.61Å; R939-C943 VanDerWaalsContact O-SG 3.41Å |
| 944 | D | 95.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -115.5 | 2.2 | -170.8 | -58 | -49.5 | 0 | 0 | 0 | 113.7 | R761 K767 C869 I870 E871 R940 Y946 | R761-D944 PolarHBondContact NH2-O 3.48Å; R761-D944 VanDerWaalsContact NH2-O 3.09Å; K767-D944 IonicContact NZ-OD1 3.37Å; K767-D944 PolarHBondContact NZ-OD1 3.2Å; C869-D944 CarbonylContact C-O 3.52Å; C869-D944 WeakPolarHBondContact CA-O 3.46Å; C869-D944 HydrophobicContact CB-CB 4.09Å; C869-D944 WeakPolarHBondContact CB-O 3.22Å; I870-D944 PolarHBondContact N-O 3.26Å; I870-D944 WeakPolarHBondContact O-CB 3.46Å; E871-D944 WeakPolarHBondContact CA-OD1 3.26Å; R940-D944 WeakPolarHBondContact CA-OD2 3.22Å; R940-D944 HydrophobicContact CB-CB 4.28Å; R940-D944 CarbonylContact O-C 3.57Å; R940-D944 WeakPolarHBondContact O-CA 3.37Å; R940-D944 WeakPolarHBondContact O-CB 3.4Å; R940-D944 PolarHBondContact O-N 3.2Å; D944-Y946 PolarHBondContact O-N 3.05Å |
| 945 | A | 96.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.4 | 124.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M759 R761 V867 R940 L941 | M759-A945 HydrophobicContact CG-CB 4.22Å; M759-A945 WeakPolarHBondContact CG-O 3.27Å; R761-A945 PolarHBondContact NE-O 2.71Å; R761-A945 PolarHBondContact NH2-O 3.07Å; V867-A945 HydrophobicContact CG1-CB 3.88Å; R940-A945 PolarHBondContact O-N 3.24Å; L941-A945 WeakPolarHBondContact O-CB 3.43Å |
| 946 | Y | 96.5 | Very high | 89.5 | Confident | 26 Ų | 26 | 29.9 Ų | 29.9 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -52.4 | -178.8 | -179.3 | -92.1 | 0 | 0 | 0 | 111.2 | D684 P685 E686 Q758 M759 L868 I870 Y875 D944 | D684-Y946 PolarHBondContact OD1-OH 2.93Å; P685-Y946 HydrophobicContact CB-CE1 4.3Å; P685-Y946 HydrophobicContact CG-CD1 4.38Å; P685-Y946 HydrophobicContact CG-CE1 3.81Å; E686-Y946 PolarHBondContact OE1-OH 2.99Å; E686-Y946 PolarHBondContact OE2-OH 2.96Å; Q758-Y946 CarbonylContact C-O 3.55Å; Q758-Y946 WeakPolarHBondContact CA-O 3.36Å; M759-Y946 WeakPolarHBondContact CG-O 3.38Å; M759-Y946 PolarHBondContact N-O 2.96Å; L868-Y946 HydrophobicContact CD2-CD1 3.82Å; L868-Y946 HydrophobicContact CD2-CG 4.41Å; L868-Y946 WeakPolarHBondContact O-CA 3.43Å; L868-Y946 WeakPolarHBondContact O-CB 3.47Å; L868-Y946 PolarHBondContact O-N 2.71Å; I870-Y946 HydrophobicContact CG2-CD2 3.53Å; I870-Y946 HydrophobicContact CG2-CE2 4.29Å; I870-Y946 HydrophobicContact CG2-CG 4.06Å; Y875-Y946 AromaticContact CE1-CD1 3.91Å; Y875-Y946 HydrophobicContact CE1-CD1 3.91Å; Y875-Y946 HydrophobicContact CE1-CD2 4.07Å; Y875-Y946 AromaticContact CE1-CE1 3.98Å; Y875-Y946 HydrophobicContact CE1-CE1 3.98Å; Y875-Y946 HydrophobicContact CE1-CE2 4.11Å; Y875-Y946 AromaticContact CE1-CG 3.95Å; Y875-Y946 HydrophobicContact CE1-CG 3.95Å; Y875-Y946 WeakPolarHBondContact OH-CE2 3.35Å; Y875-Y946 VanDerWaalsContact OH-CZ 3.24Å; Y875-Y946 PolarHBondContact OH-OH 3.16Å; D944-Y946 PolarHBondContact O-N 3.05Å |
| 947 | M | 98 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.8 | 170.2 | -78.1 | 174.1 | 179.3 | 0 | 0 | 110.4 | P685 E686 L689 I756 I757 Q758 V867 L868 M949 | P685-M947 HydrophobicContact CB-CE 3.88Å; P685-M947 HydrophobicContact CB-SD 4.02Å; E686-M947 WeakPolarHBondContact OE2-CE 3.14Å; L689-M947 HydrophobicContact CD1-CE 4.39Å; L689-M947 HydrophobicContact CD1-SD 4.43Å; I756-M947 HydrophobicContact CG2-CB 4.28Å; I756-M947 HydrophobicContact CG2-CG 4.09Å; I756-M947 HydrophobicContact CG2-SD 3.76Å; I757-M947 CarbonylContact O-C 3.58Å; I757-M947 VanDerWaalsContact O-CA 3.28Å; I757-M947 WeakPolarHBondContact O-CA 3.15Å; Q758-M947 HydrophobicContact CB-CG 4.49Å; Q758-M947 HydrophobicContact CG-CE 3.52Å; Q758-M947 HydrophobicContact CG-CG 3.79Å; Q758-M947 HydrophobicContact CG-SD 4.46Å; V867-M947 CarbonylContact C-O 3.53Å; V867-M947 WeakPolarHBondContact CA-O 3.25Å; L868-M947 HydrophobicContact CB-CB 4.3Å; L868-M947 PolarHBondContact N-O 2.88Å; L868-M947 PolarHBondContact O-N 3.25Å; M947-M949 HydrophobicContact CB-CE 4.34Å; M947-M949 HydrophobicContact SD-CE 4.32Å |
| 948 | C | 98.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.6 | 166.1 | -65 | 0 | 0 | 0 | 0 | 109.1 | I757 M759 L864 Y950 | I757-C948 PolarHBondContact N-O 3.07Å; I757-C948 PolarHBondContact O-N 3.03Å; M759-C948 HydrophobicContact CE-CB 4.11Å; L864-C948 HydrophobicContact CD1-CB 4.09Å; C948-Y950 HydrophobicContact CB-CD2 4.42Å; C948-Y950 HydrophobicContact CB-CE2 3.44Å; C948-Y950 VanDerWaalsContact CB-CE2 3.44Å |
| 949 | M | 98.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.6 | -175.2 | -52 | -172.7 | -178.6 | 0 | 0 | 110.7 | C612 L613 I756 F865 A866 L868 M947 | C612-M949 HydrophobicContact CB-CE 4Å; C612-M949 HydrophobicContact CB-SD 3.69Å; L613-M949 HydrophobicContact CD2-SD 3.63Å; L613-M949 HydrophobicContact CG-SD 4.13Å; I756-M949 HydrophobicContact CG1-CG 4.18Å; I756-M949 HydrophobicContact CG2-CG 4.35Å; F865-M949 HydrophobicContact CD1-CB 4.31Å; F865-M949 WeakPolarHBondContact CD1-O 3.21Å; F865-M949 HydrophobicContact CE1-CB 3.68Å; F865-M949 HydrophobicContact CE2-CB 4.08Å; F865-M949 HydrophobicContact CZ-CB 3.56Å; F865-M949 HydrophobicContact CZ-SD 4.44Å; F865-M949 PolarHBondContact N-O 3.14Å; A866-M949 HydrophobicContact CB-CB 4.26Å; A866-M949 HydrophobicContact CB-SD 4.44Å; A866-M949 PolarHBondContact N-O 3.09Å; A866-M949 PolarHBondContact O-N 3.15Å; L868-M949 HydrophobicContact CB-CE 4.32Å; L868-M949 HydrophobicContact CD1-CE 4.35Å; M947-M949 HydrophobicContact CB-CE 4.34Å; M947-M949 HydrophobicContact SD-CE 4.32Å |
| 950 | Y | 97.8 | Very high | 83 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.5 | -175.6 | -57.7 | -97.7 | 0 | 0 | 0 | 111.1 | S733 C754 L755 I757 S775 L778 E863 L864 C948 | S733-Y950 VanDerWaalsContact CB-OH 3.22Å; S733-Y950 WeakPolarHBondContact CB-OH 3.41Å; S733-Y950 PolarHBondContact OG-OH 2.67Å; C754-Y950 CarbonylContact C-O 3.54Å; C754-Y950 WeakPolarHBondContact CA-O 3.38Å; L755-Y950 PolarHBondContact N-O 3.04Å; L755-Y950 PolarHBondContact O-N 3.12Å; I757-Y950 HydrophobicContact CD1-CD2 4.04Å; I757-Y950 HydrophobicContact CD1-CE2 3.74Å; I757-Y950 HydrophobicContact CG1-CD2 4.33Å; I757-Y950 HydrophobicContact CG1-CE2 4.25Å; S775-Y950 WeakPolarHBondContact O-CE1 3.43Å; L778-Y950 HydrophobicContact CB-CD1 4.42Å; L778-Y950 HydrophobicContact CD1-CD1 3.7Å; L778-Y950 HydrophobicContact CD1-CD2 3.69Å; L778-Y950 HydrophobicContact CD1-CE1 3.62Å; L778-Y950 HydrophobicContact CD1-CE2 3.62Å; L778-Y950 HydrophobicContact CD1-CG 3.75Å; L778-Y950 HydrophobicContact CD2-CE1 4.4Å; L778-Y950 HydrophobicContact CG-CD1 3.78Å; L778-Y950 HydrophobicContact CG-CE1 3.49Å; L778-Y950 VanDerWaalsContact CG-CE1 3.49Å; L778-Y950 HydrophobicContact CG-CE2 4.38Å; L778-Y950 HydrophobicContact CG-CG 4.35Å; E863-Y950 CarbonylContact O-C 3.57Å; E863-Y950 WeakPolarHBondContact O-CA 3.46Å; L864-Y950 HydrophobicContact CB-CD1 3.94Å; L864-Y950 HydrophobicContact CB-CE1 3.72Å; L864-Y950 HydrophobicContact CD1-CD1 4.14Å; L864-Y950 HydrophobicContact CD1-CE1 3.66Å; L864-Y950 HydrophobicContact CD1-CE2 4.07Å; L864-Y950 HydrophobicContact CG-CE1 4.26Å; C948-Y950 HydrophobicContact CB-CD2 4.42Å; C948-Y950 HydrophobicContact CB-CE2 3.44Å; C948-Y950 VanDerWaalsContact CB-CE2 3.44Å |
| 951 | Q | 94.6 | Very high | 82.3 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.5 | 177.6 | 66.7 | -174.9 | 20.8 | 0 | 0 | 111.3 | S617 V619 S753 M862 E863 F865 P953 | S617-Q951 PolarHBondContact OG-OE1 3.1Å; V619-Q951 HydrophobicContact CB-CB 4.24Å; V619-Q951 HydrophobicContact CG2-CB 4.03Å; S753-Q951 CarbonylContact O-C 3.52Å; S753-Q951 WeakPolarHBondContact O-CA 3.28Å; M862-Q951 CarbonylContact C-O 3.57Å; M862-Q951 VanDerWaalsContact CA-O 3.27Å; M862-Q951 WeakPolarHBondContact CA-O 3.41Å; M862-Q951 WeakPolarHBondContact CB-O 3.21Å; E863-Q951 HydrophobicContact CG-CG 3.62Å; E863-Q951 PolarHBondContact N-O 3.09Å; E863-Q951 PolarHBondContact O-N 3.17Å; E863-Q951 WeakPolarHBondContact OE1-CG 3.46Å; E863-Q951 PolarHBondContact OE1-NE2 2.8Å; F865-Q951 HydrophobicContact CB-CG 4.27Å; F865-Q951 HydrophobicContact CD1-CB 3.68Å; F865-Q951 HydrophobicContact CD1-CG 3.75Å; F865-Q951 HydrophobicContact CE1-CB 3.93Å; F865-Q951 HydrophobicContact CE1-CG 4.49Å; F865-Q951 HydrophobicContact CG-CG 4.32Å; Q951-P953 WeakPolarHBondContact O-CD 3.41Å |
| 952 | S | 89.6 | Confident | 81.5 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | trans | -79.9 | 115.1 | 173.1 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | S753 T954 M955 | S753-S952 PolarHBondContact O-N 3.46Å; S952-T954 PolarHBondContact O-N 3.33Å; S952-T954 PolarHBondContact OG-OG1 2.63Å; S952-M955 PolarHBondContact O-N 3.05Å | ||
| 953 | P | 78.4 | Confident | 80.7 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.1 | -177.9 | -21.7 | 33 | 0 | 0 | 0 | 113.6 | E863 Q951 | E863-P953 HydrophobicContact CB-CG 4.06Å; E863-P953 HydrophobicContact CG-CG 3.97Å; Q951-P953 WeakPolarHBondContact O-CD 3.41Å |
| 954 | T | 65.4 | Low | 79.8 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 55% | 0.552 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.4 | 179.9 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | S952 K959 | S952-T954 PolarHBondContact O-N 3.33Å; S952-T954 PolarHBondContact OG-OG1 2.63Å; T954-K959 PolarHBondContact O-NZ 3.42Å |
| 955 | M | 59 | Low | 78.8 | Confident | 107 Ų | 107 | 49.7 Ų | 49.7 | 53% | 0.527 | 25% | 0.252 | S | S | . | . | trans | -121.4 | 27.2 | -168.6 | -59.5 | 179.8 | 70.8 | 0 | 0 | 114.6 | S952 | S952-M955 PolarHBondContact O-N 3.05Š| ||
| 956 | S | 56.9 | Low | 77.5 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | trans | -60 | 139.3 | 167.9 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | Y958 K959 | S956-Y958 VanDerWaalsContact C-N 3.27Å; S956-Y958 VanDerWaalsContact CB-O 3.31Å; S956-Y958 WeakPolarHBondContact CB-O 3.32Å; S956-Y958 PolarHBondContact O-N 2.76Å; S956-Y958 PolarHBondContact OG-O 2.66Å; S956-K959 WeakPolarHBondContact OG-CE 3.13Å; S956-K959 WeakPolarHBondContact OG-CG 3.46Å | ||
| 957 | L | 55.3 | Low | 76.1 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 40% | 0.398 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -72.7 | -24.5 | 179.6 | -170.1 | 129.1 | 0 | 0 | 0 | 112.3 | D621 T622 L625 | D621-L957 HydrophobicContact CB-CD2 4.49Å; T622-L957 HydrophobicContact CG2-CD1 3.37Å; L625-L957 HydrophobicContact CD1-CD2 4.18Å |
| 958 | Y | 54.8 | Low | 74.2 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | trans | -112.1 | 136.2 | 173 | -45.1 | -79.6 | 0 | 0 | 0 | 108.9 | P579 D621 S956 | P579-Y958 HydrophobicContact CB-CD1 3.96Å; P579-Y958 HydrophobicContact CB-CD2 3.72Å; P579-Y958 HydrophobicContact CB-CE1 3.95Å; P579-Y958 HydrophobicContact CB-CE2 3.73Å; P579-Y958 HydrophobicContact CB-CG 3.84Å; D621-Y958 HydrophobicContact CB-CE2 4.28Å; D621-Y958 WeakPolarHBondContact OD2-CE2 3.35Å; D621-Y958 PolarHBondContact OD2-OH 2.59Å; D621-Y958 VanDerWaalsContact OD2-OH 3.06Å; S956-Y958 VanDerWaalsContact C-N 3.27Å; S956-Y958 VanDerWaalsContact CB-O 3.31Å; S956-Y958 WeakPolarHBondContact CB-O 3.32Å; S956-Y958 PolarHBondContact O-N 2.76Å; S956-Y958 PolarHBondContact OG-O 2.66Å | ||
| 959 | K | 42 | Very low | 72 | Confident | 218 Ų | 218 | 65.3 Ų | 65.3 | 95% | 0.948 | 33% | 0.333 | S | S | * | . | trans | -149.1 | 0 | 173.3 | -70 | -168.9 | -176.5 | 179.7 | 0 | 109.2 | T954 S956 | T954-K959 PolarHBondContact O-NZ 3.42Å; S956-K959 WeakPolarHBondContact OG-CE 3.13Å; S956-K959 WeakPolarHBondContact OG-CG 3.46Å |
Retrieved 959 of 959 residues in 2370.8 ms
(Link to these results)