| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31 | Very low | 30.1 | Very low | 229 Ų | 229 | 139.7 Ų | 139.7 | 100% | 1.128 | 81% | 0.814 | S | S | * | * | 0 | 83.8 | 0 | -170.7 | 174.9 | -166.7 | 0 | 0 | 108.2 | |||||
| 2 | V | 27.7 | Very low | 29.8 | Very low | 137 Ų | 137 | 136 Ų | 136 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -113.9 | 113.7 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 106.4 | A4 | V2-A4 PolarHBondContact O-N 3.41Š| ||
| 3 | L | 32.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 135 Ų | 135 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | -91.4 | 86.3 | 175.4 | -79.2 | 173.1 | 0 | 0 | 0 | 109.4 | F5 | L3-F5 HydrophobicContact CB-CD2 4.45Å; L3-F5 HydrophobicContact CD2-CE2 4.14Å; L3-F5 PolarHBondContact O-N 3.3Å | ||
| 4 | A | 30.4 | Very low | 29.5 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -78.6 | 94.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V2 | V2-A4 PolarHBondContact O-N 3.41Š| ||
| 5 | F | 32.2 | Very low | 29.5 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -93.8 | 110.7 | 166.4 | -88.3 | -75.3 | 0 | 0 | 0 | 110 | L3 | L3-F5 HydrophobicContact CB-CD2 4.45Å; L3-F5 HydrophobicContact CD2-CE2 4.14Å; L3-F5 PolarHBondContact O-N 3.3Å | ||
| 6 | S | 28.5 | Very low | 29.4 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -80.8 | 122.1 | 170.9 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 7 | T | 32.9 | Very low | 29.5 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -154.1 | 139.8 | 155.1 | 5.6 | 0 | 0 | 0 | 0 | 110.6 | S9 | T7-S9 PolarHBondContact O-N 3.26Š| ||
| 8 | N | 27.8 | Very low | 30 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | trans | -64.9 | 111.9 | -166.4 | -58.7 | -30 | 0 | 0 | 0 | 113.6 | ||||
| 9 | S | 31.3 | Very low | 30.7 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | -151 | 137.8 | 147.1 | 66.7 | 0 | 0 | 0 | 0 | 110.4 | T7 T11 | T7-S9 PolarHBondContact O-N 3.26Å; S9-T11 VanDerWaalsContact C-N 3.3Å; S9-T11 PolarHBondContact O-N 3.38Å | ||
| 10 | T | 28.7 | Very low | 31.8 | Very low | 152 Ų | 152 | 134 Ų | 134 | 93% | 0.933 | 74% | 0.738 | S | S | * | * | trans | -80.5 | 74.8 | -177.4 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 11 | T | 28.7 | Very low | 33.4 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 60% | 0.595 | 73% | 0.729 | S | S | * | * | trans | -116.4 | 116.1 | 167.2 | 45.4 | 0 | 0 | 0 | 0 | 109.1 | S9 I13 | S9-T11 VanDerWaalsContact C-N 3.3Å; S9-T11 PolarHBondContact O-N 3.38Å; T11-I13 VanDerWaalsContact C-N 3.28Å; T11-I13 PolarHBondContact O-N 3.34Å | ||
| 12 | S | 26.4 | Very low | 35.7 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | trans | -73.6 | 86.9 | 175.1 | -168.9 | 0 | 0 | 0 | 0 | 109 | Y14 | S12-Y14 PolarHBondContact O-N 3.24Å; S12-Y14 WeakPolarHBondContact OG-CD2 3.41Å; S12-Y14 WeakPolarHBondContact OG-CE2 3.42Å | ||
| 13 | I | 28.5 | Very low | 38.2 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | trans | -69.9 | 84.1 | 168.2 | -56.2 | 178.6 | 0 | 0 | 0 | 106.8 | T11 Y15 | T11-I13 VanDerWaalsContact C-N 3.28Å; T11-I13 PolarHBondContact O-N 3.34Å; I13-Y15 HydrophobicContact CG2-CD2 3.92Å; I13-Y15 HydrophobicContact CG2-CE2 3.87Å; I13-Y15 PolarHBondContact O-N 3.21Å | ||
| 14 | Y | 27.4 | Very low | 40.7 | Very low | 204 Ų | 204 | 118.6 Ų | 118.6 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | trans | -59.9 | 91.8 | 161.7 | -83.8 | -84.7 | 0 | 0 | 0 | 107.7 | S12 S16 | S12-Y14 PolarHBondContact O-N 3.24Å; S12-Y14 WeakPolarHBondContact OG-CD2 3.41Å; S12-Y14 WeakPolarHBondContact OG-CE2 3.42Å; Y14-S16 VanDerWaalsContact C-N 3.26Å; Y14-S16 PolarHBondContact O-N 3.07Å | ||
| 15 | Y | 28.3 | Very low | 43.3 | Very low | 196 Ų | 196 | 114.6 Ų | 114.6 | 77% | 0.769 | 61% | 0.609 | S | S | * | * | trans | -56.8 | 100.9 | 156.1 | -84.7 | -92.3 | 0 | 0 | 0 | 106.4 | I13 T17 | I13-Y15 HydrophobicContact CG2-CD2 3.92Å; I13-Y15 HydrophobicContact CG2-CE2 3.87Å; I13-Y15 PolarHBondContact O-N 3.21Å; Y15-T17 PolarHBondContact O-N 2.95Å; Y15-T17 PolarHBondContact O-OG1 2.95Å | ||
| 16 | S | 28.1 | Very low | 46.1 | Very low | 94 Ų | 94 | 106.3 Ų | 106.3 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | trans | -64.9 | 88.2 | 164.4 | -175.7 | 0 | 0 | 0 | 0 | 106.4 | Y14 F18 | Y14-S16 VanDerWaalsContact C-N 3.26Å; Y14-S16 PolarHBondContact O-N 3.07Å; S16-F18 PolarHBondContact O-N 3.3Å | ||
| 17 | T | 31.1 | Very low | 49.1 | Very low | 112 Ų | 112 | 103.2 Ų | 103.2 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | trans | -65.9 | 89.1 | 174 | -52.1 | 0 | 0 | 0 | 0 | 106.4 | Y15 V19 | Y15-T17 PolarHBondContact O-N 2.95Å; Y15-T17 PolarHBondContact O-OG1 2.95Å; T17-V19 HydrophobicContact CG2-CG2 3.93Å; T17-V19 PolarHBondContact O-N 3.35Å | ||
| 18 | F | 38.7 | Very low | 51.7 | Low | 173 Ų | 173 | 97 Ų | 97 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | trans | -63.7 | 82.8 | 166.5 | -100.6 | -92 | 0 | 0 | 0 | 107.5 | S16 M20 | S16-F18 PolarHBondContact O-N 3.3Å; F18-M20 VanDerWaalsContact C-N 3.27Å; F18-M20 PolarHBondContact O-N 3.38Å | ||
| 19 | V | 43.4 | Very low | 54.5 | Low | 108 Ų | 108 | 90.8 Ų | 90.8 | 66% | 0.655 | 48% | 0.475 | S | S | * | . | trans | -61.8 | 96.8 | 170.1 | 178.7 | 0 | 0 | 0 | 0 | 105.5 | T17 Q21 | T17-V19 HydrophobicContact CG2-CG2 3.93Å; T17-V19 PolarHBondContact O-N 3.35Å; V19-Q21 PolarHBondContact O-N 3.36Å | ||
| 20 | M | 52.2 | Low | 57.1 | Low | 37 Ų | 37 | 88.6 Ų | 88.6 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | trans | -68.1 | 82.4 | -175 | -90.1 | -82.2 | -69 | 0 | 0 | 109.8 | F18 I79 Y81 S182 | F18-M20 VanDerWaalsContact C-N 3.27Å; F18-M20 PolarHBondContact O-N 3.38Å; M20-I79 HydrophobicContact CE-CB 4.04Å; M20-I79 HydrophobicContact CE-CD1 4.3Å; M20-I79 HydrophobicContact CE-CG2 3.54Å; M20-I79 HydrophobicContact SD-CD1 3.82Å; M20-I79 HydrophobicContact SD-CG2 4.34Å; M20-Y81 HydrophobicContact CE-CD1 3.73Å; M20-Y81 HydrophobicContact CE-CE1 3.42Å; M20-Y81 VanDerWaalsContact CE-CE1 3.42Å; M20-Y81 HydrophobicContact CE-CE2 4.39Å; M20-Y81 HydrophobicContact CE-CG 4.34Å; M20-Y81 HydrophobicContact SD-CE1 4.42Å; M20-S182 WeakPolarHBondContact CB-OG 3.38Å; M20-S182 PolarHBondContact O-OG 2.93Å | ||
| 21 | Q | 65.1 | Low | 59.5 | Low | 120 Ų | 120 | 88.6 Ų | 88.6 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | trans | -59 | 148.9 | -172.4 | -157.7 | 170.8 | 3.3 | 0 | 0 | 111.5 | V19 R23 Y354 | V19-Q21 PolarHBondContact O-N 3.36Å; Q21-R23 PolarHBondContact O-N 3.17Å; Q21-R23 VanDerWaalsContact O-N 3.15Å; Q21-Y354 VanDerWaalsContact CG-OH 3.23Å; Q21-Y354 WeakPolarHBondContact CG-OH 3.49Å; Q21-Y354 PolarHBondContact NE2-OH 3.15Å | ||
| 22 | K | 79.7 | Confident | 62.1 | Low | 76 Ų | 76 | 89.2 Ų | 89.2 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | trans | -52.5 | 120 | 174.4 | 178.8 | -164.6 | 174.5 | -165.8 | 0 | 108.9 | E177 S179 Y183 | K22-E177 WeakPolarHBondContact CE-OE1 3.22Å; K22-E177 IonicContact NZ-OE1 3.19Å; K22-E177 PolarHBondContact NZ-OE1 3.26Å; K22-E177 IonicContact NZ-OE2 2.63Å; K22-E177 PolarHBondContact NZ-OE2 3.3Å; K22-S179 WeakPolarHBondContact CE-OG 3.46Å; K22-Y183 HydrophobicContact CB-CE1 4.41Å | ||
| 23 | R | 80.6 | Confident | 64.8 | Low | 70 Ų | 70 | 85.6 Ų | 85.6 | 26% | 0.264 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.2 | -179.8 | -177.1 | 170.5 | -176.1 | 174.6 | 1.2 | 111 | Q21 M76 Y81 S179 V180 | Q21-R23 PolarHBondContact O-N 3.17Å; Q21-R23 VanDerWaalsContact O-N 3.15Å; R23-M76 VanDerWaalsContact CZ-O 3.23Å; R23-M76 PolarHBondContact NH1-O 3Å; R23-M76 PolarHBondContact NH2-O 2.97Å; R23-Y81 HydrophobicContact CB-CE1 4.09Å; R23-Y81 WeakPolarHBondContact CD-OH 3.32Å; R23-Y81 PolarHBondContact NH1-OH 2.89Å; R23-S179 CarbonylContact O-C 3.51Å; R23-S179 VanDerWaalsContact O-CA 3.23Å; R23-S179 WeakPolarHBondContact O-CA 3.5Å; R23-S179 VanDerWaalsContact O-CB 3.27Å; R23-S179 WeakPolarHBondContact O-CB 3.35Å; R23-V180 HydrophobicContact CB-CG2 4.19Å; R23-V180 PolarHBondContact N-O 2.88Å; R23-V180 PolarHBondContact O-N 3.12Å |
| 24 | V | 85.8 | Confident | 67.5 | Low | 48 Ų | 48 | 82.1 Ų | 82.1 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 127.6 | 171.4 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | F26 E27 E177 | V24-F26 WeakPolarHBondContact CG1-O 3.34Å; V24-E27 HydrophobicContact CG1-CB 3.78Å; V24-E177 HydrophobicContact CG1-CG 4.35Å |
| 25 | L | 85 | Confident | 69.9 | Low | 10 Ų | 10 | 80 Ų | 80 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -36.9 | 173 | -58.9 | -178.8 | 0 | 0 | 0 | 110.8 | Y73 M76 I167 L178 V180 | L25-Y73 HydrophobicContact CD1-CD2 4.04Å; L25-M76 HydrophobicContact CD2-SD 3.72Å; L25-I167 HydrophobicContact CD1-CD1 3.98Å; L25-L178 HydrophobicContact CB-CD2 4.31Å; L25-L178 HydrophobicContact CB-CG 4.28Å; L25-L178 WeakPolarHBondContact CB-O 3.5Å; L25-L178 HydrophobicContact CD1-CD2 4.35Å; L25-L178 HydrophobicContact CD1-CG 4.33Å; L25-L178 PolarHBondContact N-O 2.9Å; L25-V180 HydrophobicContact CD1-CG1 3.81Å; L25-V180 HydrophobicContact CD1-CG2 4.27Å; L25-V180 HydrophobicContact CD2-CG2 4.1Å; L25-V180 HydrophobicContact CG-CG1 4.47Å; L25-V180 HydrophobicContact CG-CG2 4.19Å |
| 26 | F | 89.9 | Confident | 72.1 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 2% | 0.022 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 141.5 | 175.3 | 159.3 | -82.1 | 0 | 0 | 0 | 109.9 | V24 A28 P33 V58 F71 L175 E177 L178 | V24-F26 WeakPolarHBondContact CG1-O 3.34Å; F26-A28 HydrophobicContact CE1-CB 3.99Å; F26-A28 HydrophobicContact CZ-CB 3.79Å; F26-P33 WeakPolarHBondContact CD2-O 3.41Å; F26-P33 HydrophobicContact CE2-CB 3.93Å; F26-V58 HydrophobicContact CE2-CG2 4.23Å; F26-V58 HydrophobicContact CZ-CB 4.11Å; F26-V58 HydrophobicContact CZ-CG2 3.68Å; F26-F71 HydrophobicContact CB-CD1 3.83Å; F26-F71 HydrophobicContact CB-CE1 3.37Å; F26-F71 HydrophobicContact CB-CZ 4.12Å; F26-F71 HydrophobicContact CD1-CE1 4.45Å; F26-F71 HydrophobicContact CD1-CZ 4.49Å; F26-F71 AromaticContact CD2-CE1 3.59Å; F26-F71 HydrophobicContact CD2-CE1 3.59Å; F26-F71 HydrophobicContact CD2-CZ 4.15Å; F26-F71 HydrophobicContact CG-CD1 4.48Å; F26-F71 AromaticContact CG-CE1 3.55Å; F26-F71 HydrophobicContact CG-CE1 3.55Å; F26-F71 AromaticContact CG-CZ 4Å; F26-F71 HydrophobicContact CG-CZ 4Å; F26-L175 HydrophobicContact CD1-CD2 3.75Å; F26-L175 HydrophobicContact CD1-CG 4.07Å; F26-L175 HydrophobicContact CE1-CB 4.36Å; F26-L175 HydrophobicContact CE1-CD2 3.67Å; F26-L175 HydrophobicContact CE1-CG 3.72Å; F26-L175 HydrophobicContact CZ-CD2 4.37Å; F26-E177 WeakPolarHBondContact O-CA 3.34Å; F26-L178 HydrophobicContact CB-CB 4.12Å; F26-L178 HydrophobicContact CD1-CB 4.45Å; F26-L178 PolarHBondContact N-O 3.11Å; F26-L178 VanDerWaalsContact N-O 3.16Å; F26-L178 PolarHBondContact O-N 3.35Å |
| 27 | E | 90.9 | Very high | 74.7 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 23% | 0.229 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 124.8 | 169.8 | 172.4 | 164.9 | -159.7 | 0 | 0 | 109.6 | V24 N29 S30 P33 E177 | V24-E27 HydrophobicContact CG1-CB 3.78Å; E27-N29 HydrophobicContact CG-CB 4.35Å; E27-N29 PolarHBondContact O-N 3.02Å; E27-S30 WeakPolarHBondContact O-CB 3.38Å; E27-S30 PolarHBondContact O-N 2.88Å; E27-S30 PolarHBondContact O-OG 3.17Å; E27-P33 WeakPolarHBondContact O-CB 3.17Å; E27-E177 HydrophobicContact CB-CG 4.49Å |
| 28 | A | 89.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | F26 L47 Q56 V58 S176 | F26-A28 HydrophobicContact CE1-CB 3.99Å; F26-A28 HydrophobicContact CZ-CB 3.79Å; A28-L47 HydrophobicContact CB-CD1 4.26Å; A28-Q56 WeakPolarHBondContact CB-O 3.5Å; A28-V58 HydrophobicContact CB-CG2 4.09Å; A28-S176 PolarHBondContact N-O 3.11Å |
| 29 | N | 85.8 | Confident | 79.6 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 4.1 | 179.7 | -155.2 | 94.7 | 0 | 0 | 0 | 113 | E27 T55 Q56 | E27-N29 HydrophobicContact CG-CB 4.35Å; E27-N29 PolarHBondContact O-N 3.02Å; N29-T55 WeakPolarHBondContact OD1-CB 3.33Å; N29-Q56 PolarHBondContact OD1-N 2.62Å; N29-Q56 VanDerWaalsContact OD1-N 3.09Å |
| 30 | S | 85.2 | Confident | 81.6 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -78.9 | 157.7 | 175 | 66.9 | 0 | 0 | 0 | 0 | 111.5 | E27 N32 P33 | E27-S30 WeakPolarHBondContact O-CB 3.38Å; E27-S30 PolarHBondContact O-N 2.88Å; E27-S30 PolarHBondContact O-OG 3.17Å; S30-N32 PolarHBondContact O-N 3.38Å; S30-N32 VanDerWaalsContact O-N 3.13Å; S30-P33 WeakPolarHBondContact O-CD 3.41Å; S30-P33 WeakPolarHBondContact OG-CA 3.21Å |
| 31 | M | 79.9 | Confident | 82.9 | Confident | 153 Ų | 153 | 57.7 Ų | 57.7 | 75% | 0.754 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -58.1 | -28 | -176.1 | -70.2 | -68.3 | 102.4 | 0 | 0 | 114.8 | ||
| 32 | N | 83 | Confident | 83.6 | Confident | 109 Ų | 109 | 52.8 Ų | 52.8 | 58% | 0.583 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -140 | 77.7 | 175.9 | -77.4 | -71.4 | 0 | 0 | 0 | 109 | S30 F34 F35 | S30-N32 PolarHBondContact O-N 3.38Å; S30-N32 VanDerWaalsContact O-N 3.13Å; N32-F34 PolarHBondContact O-N 3.38Å; N32-F34 VanDerWaalsContact O-N 3.14Å; N32-F35 HydrophobicContact CB-CB 4Å; N32-F35 WeakPolarHBondContact O-CB 3.38Å; N32-F35 PolarHBondContact O-N 3.37Å; N32-F35 VanDerWaalsContact O-N 3.13Å |
| 33 | P | 82.2 | Confident | 83.6 | Confident | 20 Ų | 20 | 52 Ų | 52 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -29.6 | -169.5 | 27.1 | -33.7 | 0 | 0 | 0 | 111.7 | F26 E27 S30 | F26-P33 WeakPolarHBondContact CD2-O 3.41Å; F26-P33 HydrophobicContact CE2-CB 3.93Å; E27-P33 WeakPolarHBondContact O-CB 3.17Å; S30-P33 WeakPolarHBondContact O-CD 3.41Å; S30-P33 WeakPolarHBondContact OG-CA 3.21Å |
| 34 | F | 85.7 | Confident | 83.9 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.9 | -177.6 | -54.4 | -65.2 | 0 | 0 | 0 | 115 | N32 R36 C37 I39 I45 V58 L69 | N32-F34 PolarHBondContact O-N 3.38Å; N32-F34 VanDerWaalsContact O-N 3.14Å; F34-R36 PolarHBondContact O-N 3.35Å; F34-C37 VanDerWaalsContact CA-SG 3.57Å; F34-C37 PolarHBondContact O-N 3.25Å; F34-C37 VanDerWaalsContact O-N 3.13Å; F34-C37 PolarHBondContact O-SG 3.48Å; F34-I39 HydrophobicContact CB-CD1 3.77Å; F34-I39 HydrophobicContact CD1-CD1 3.85Å; F34-I39 HydrophobicContact CD1-CG1 4.16Å; F34-I39 HydrophobicContact CD2-CD1 4.25Å; F34-I39 HydrophobicContact CG-CD1 3.7Å; F34-I39 HydrophobicContact CG-CG1 4.46Å; F34-I45 HydrophobicContact CE1-CG2 3.96Å; F34-I45 HydrophobicContact CZ-CG2 3.91Å; F34-V58 HydrophobicContact CE1-CG1 4.14Å; F34-V58 HydrophobicContact CE1-CG2 3.81Å; F34-V58 HydrophobicContact CZ-CG1 4.3Å; F34-V58 HydrophobicContact CZ-CG2 3.68Å; F34-L69 HydrophobicContact CD1-CD2 4.28Å; F34-L69 HydrophobicContact CE1-CD2 4.31Å |
| 35 | F | 77.9 | Confident | 84 | Confident | 160 Ų | 160 | 48 Ų | 48 | 70% | 0.702 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -17 | -174.6 | -176.6 | -109.7 | 0 | 0 | 0 | 115.1 | N32 | N32-F35 HydrophobicContact CB-CB 4Å; N32-F35 WeakPolarHBondContact O-CB 3.38Å; N32-F35 PolarHBondContact O-N 3.37Å; N32-F35 VanDerWaalsContact O-N 3.13Å |
| 36 | R | 73.6 | Confident | 84.2 | Confident | 106 Ų | 106 | 49.8 Ų | 49.8 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 10.4 | -176.7 | -75.2 | 173.7 | 173.1 | 176.3 | 4.7 | 114.5 | F34 M76 | F34-R36 PolarHBondContact O-N 3.35Å; R36-M76 HydrophobicContact CB-CE 3.91Å; R36-M76 HydrophobicContact CG-CE 3.82Å |
| 37 | C | 83.3 | Confident | 84.2 | Confident | 10 Ų | 10 | 53 Ų | 53 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.3 | 175.3 | 61.5 | 0 | 0 | 0 | 0 | 113 | F34 E70 F71 | F34-C37 VanDerWaalsContact CA-SG 3.57Å; F34-C37 PolarHBondContact O-N 3.25Å; F34-C37 VanDerWaalsContact O-N 3.13Å; F34-C37 PolarHBondContact O-SG 3.48Å; C37-E70 CarbonylContact C-O 3.59Å; C37-E70 WeakPolarHBondContact CA-O 3.46Å; C37-E70 WeakPolarHBondContact CB-O 3.27Å; C37-F71 HydrophobicContact CB-CD1 3.52Å; C37-F71 HydrophobicContact CB-CE1 3.57Å; C37-F71 HydrophobicContact CB-CG 4.26Å; C37-F71 HydrophobicContact CB-CZ 4.38Å |
| 38 | H | 85.1 | Confident | 84.2 | Confident | 77 Ų | 77 | 53.2 Ų | 53.2 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 128.3 | 162.2 | -176.6 | -86.9 | 0 | 0 | 0 | 109.1 | S40 E70 | H38-S40 PolarHBondContact CE1-OG 2.8Å; H38-S40 PolarHBondContact ND1-OG 2.77Å; H38-E70 HydrophobicContact CB-CB 4.37Å; H38-E70 PolarHBondContact N-O 3.14Å; H38-E70 PolarHBondContact O-N 3.39Å |
| 39 | I | 87.5 | Confident | 84.2 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.1 | 173.4 | -70.6 | 160.1 | 0 | 0 | 0 | 109 | F34 A42 I45 L69 L374 | F34-I39 HydrophobicContact CB-CD1 3.77Å; F34-I39 HydrophobicContact CD1-CD1 3.85Å; F34-I39 HydrophobicContact CD1-CG1 4.16Å; F34-I39 HydrophobicContact CD2-CD1 4.25Å; F34-I39 HydrophobicContact CG-CD1 3.7Å; F34-I39 HydrophobicContact CG-CG1 4.46Å; I39-A42 HydrophobicContact CG2-CB 3.92Å; I39-I45 HydrophobicContact CG2-CD1 3.8Å; I39-L69 HydrophobicContact CB-CD2 4.5Å; I39-L69 HydrophobicContact CG1-CD2 3.7Å; I39-L374 HydrophobicContact CD1-CD2 4.35Å |
| 40 | S | 85.4 | Confident | 84.1 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.8 | 166.6 | -58.9 | 0 | 0 | 0 | 0 | 109 | H38 T67 H68 | H38-S40 PolarHBondContact CE1-OG 2.8Å; H38-S40 PolarHBondContact ND1-OG 2.77Å; S40-T67 VanDerWaalsContact O-CA 3.24Å; S40-T67 WeakPolarHBondContact O-CA 3.22Å; S40-H68 WeakPolarHBondContact CB-CE1 3.48Å; S40-H68 WeakPolarHBondContact CB-ND1 3.11Å; S40-H68 WeakPolarHBondContact CB-NE2 3.4Å; S40-H68 PolarHBondContact N-O 3.22Å; S40-H68 PolarHBondContact O-N 2.96Å; S40-H68 PolarHBondContact OG-CD2 3.25Å; S40-H68 PolarHBondContact OG-CE1 3.21Å; S40-H68 PolarHBondContact OG-NE2 3.02Å |
| 41 | G | 80.8 | Confident | 83.9 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 62.9 | 56 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S43 N44 T67 | G41-S43 VanDerWaalsContact C-N 3.31Å; G41-S43 PolarHBondContact O-N 3.02Å; G41-N44 PolarHBondContact O-N 3.48Å; G41-T67 PolarHBondContact O-OG1 3.02Å |
| 42 | A | 78.8 | Confident | 84 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -52.3 | -40.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I39 N44 I45 L374 | I39-A42 HydrophobicContact CG2-CB 3.92Å; A42-N44 PolarHBondContact O-N 3.01Å; A42-I45 PolarHBondContact O-N 3.05Å; A42-L374 HydrophobicContact CB-CD2 3.86Å; A42-L374 HydrophobicContact CB-CG 4.16Å |
| 43 | S | 80 | Confident | 83.9 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -48.5 | -29.9 | -179.9 | 62.2 | 0 | 0 | 0 | 0 | 115.1 | G41 N376 | G41-S43 VanDerWaalsContact C-N 3.31Å; G41-S43 PolarHBondContact O-N 3.02Å; S43-N376 WeakPolarHBondContact CA-OD1 3.49Å; S43-N376 WeakPolarHBondContact CB-OD1 3.34Å; S43-N376 PolarHBondContact N-OD1 2.8Å |
| 44 | N | 85.7 | Confident | 83.8 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -102.5 | 2.1 | -172.9 | -44.8 | -44.1 | 0 | 0 | 0 | 112.8 | G41 A42 S61 S63 T67 | G41-N44 PolarHBondContact O-N 3.48Å; A42-N44 PolarHBondContact O-N 3.01Å; N44-S61 VanDerWaalsContact CB-O 3.22Å; N44-S61 WeakPolarHBondContact CB-O 3.5Å; N44-S61 WeakPolarHBondContact O-CB 3.32Å; N44-S61 PolarHBondContact O-N 3.48Å; N44-S61 PolarHBondContact O-OG 3.29Å; N44-S63 PolarHBondContact ND2-N 3.41Å; N44-S63 PolarHBondContact ND2-OG 3.44Å; N44-S63 VanDerWaalsContact OD1-CB 3.32Å; N44-S63 WeakPolarHBondContact OD1-CB 3.19Å; N44-S63 PolarHBondContact OD1-OG 3.47Å; N44-S63 VanDerWaalsContact OD1-OG 3.13Å; N44-T67 HydrophobicContact CB-CG2 4.23Å; N44-T67 WeakPolarHBondContact CB-OG1 3.36Å; N44-T67 PolarHBondContact ND2-OG1 3.31Å |
| 45 | I | 88.8 | Confident | 83.8 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.3 | 177.2 | -55.1 | -165 | 0 | 0 | 0 | 108.4 | F34 I39 A42 V58 L60 T67 L69 | F34-I45 HydrophobicContact CE1-CG2 3.96Å; F34-I45 HydrophobicContact CZ-CG2 3.91Å; I39-I45 HydrophobicContact CG2-CD1 3.8Å; A42-I45 PolarHBondContact O-N 3.05Å; I45-V58 HydrophobicContact CG2-CG1 3.61Å; I45-L60 HydrophobicContact CB-CD2 4.25Å; I45-L60 HydrophobicContact CD1-CD2 3.72Å; I45-L60 HydrophobicContact CG1-CD2 3.7Å; I45-L60 HydrophobicContact CG2-CD2 3.89Å; I45-T67 HydrophobicContact CD1-CG2 3.88Å; I45-T67 HydrophobicContact CG1-CG2 3.48Å; I45-T67 VanDerWaalsContact CG1-CG2 3.48Å; I45-L69 HydrophobicContact CD1-CD2 3.55Å; I45-L69 HydrophobicContact CD1-CG 4.12Å |
| 46 | S | 89.2 | Confident | 84.4 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.5 | -179 | 48 | 0 | 0 | 0 | 0 | 111.5 | K59 | S46-K59 PolarHBondContact N-O 3.46Å; S46-K59 PolarHBondContact O-N 2.75Å |
| 47 | L | 90.7 | Very high | 85.2 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.8 | 173.8 | -165.9 | 66.6 | 0 | 0 | 0 | 108.6 | A28 Q56 V58 | A28-L47 HydrophobicContact CB-CD1 4.26Å; L47-Q56 HydrophobicContact CD1-CB 4Å; L47-Q56 HydrophobicContact CD2-CB 4.31Å; L47-Q56 HydrophobicContact CD2-CG 4.35Å; L47-Q56 HydrophobicContact CG-CB 4.04Å; L47-Q56 HydrophobicContact CG-CG 4.35Å; L47-V58 HydrophobicContact CD1-CG2 3.59Å |
| 48 | V | 90.7 | Very high | 85.7 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.3 | -172.7 | -178.6 | 0 | 0 | 0 | 0 | 109 | S50 V57 K59 | V48-S50 PolarHBondContact O-N 3.48Å; V48-V57 PolarHBondContact N-O 2.94Å; V48-V57 WeakPolarHBondContact O-CG2 3.05Å; V48-V57 PolarHBondContact O-N 3.13Å; V48-V57 VanDerWaalsContact O-O 3.14Å; V48-K59 HydrophobicContact CG2-CB 3.83Å; V48-K59 HydrophobicContact CG2-CD 4.22Å |
| 49 | K | 87.7 | Confident | 86 | Confident | 147 Ų | 147 | 52.2 Ų | 52.2 | 64% | 0.639 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.3 | 172.5 | -169.7 | 170.3 | -176.4 | 172.2 | 0 | 109.8 | N51 R54 | K49-N51 PolarHBondContact O-N 3.19Å; K49-R54 WeakPolarHBondContact CE-O 3.33Å |
| 50 | S | 85 | Confident | 86.2 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | trans | -80.1 | 110.5 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | V48 L52 L53 R54 T55 | V48-S50 PolarHBondContact O-N 3.48Å; S50-L52 PolarHBondContact O-N 3.16Å; S50-L52 VanDerWaalsContact O-N 3.16Å; S50-L53 PolarHBondContact O-N 3.07Å; S50-L53 PolarHBondContact OG-N 2.88Å; S50-L53 VanDerWaalsContact OG-N 3.13Å; S50-R54 WeakPolarHBondContact O-CA 3.46Å; S50-R54 PolarHBondContact O-N 3.28Å; S50-T55 PolarHBondContact N-O 3.46Å | ||
| 51 | N | 81.6 | Confident | 86.2 | Confident | 152 Ų | 152 | 51.9 Ų | 51.9 | 81% | 0.813 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.1 | 172.9 | -70.7 | -8.3 | 0 | 0 | 0 | 112.1 | K49 | K49-N51 PolarHBondContact O-N 3.19Š|
| 52 | L | 81 | Confident | 86.2 | Confident | 91 Ų | 91 | 54 Ų | 54 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -64 | 176.8 | -71.8 | 170.7 | 0 | 0 | 0 | 111 | S50 R54 T201 | S50-L52 PolarHBondContact O-N 3.16Å; S50-L52 VanDerWaalsContact O-N 3.16Å; L52-R54 VanDerWaalsContact C-N 3.26Å; L52-R54 PolarHBondContact O-N 2.67Å; L52-T201 HydrophobicContact CB-CG2 3.81Å; L52-T201 HydrophobicContact CD2-CG2 3.86Å; L52-T201 HydrophobicContact CG-CG2 4.45Å; L52-T201 WeakPolarHBondContact O-CG2 3.44Å |
| 53 | L | 80.3 | Confident | 85.9 | Confident | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.7 | -175.7 | -55.8 | -173.6 | 0 | 0 | 0 | 113.9 | S50 T55 V57 W141 | S50-L53 PolarHBondContact O-N 3.07Å; S50-L53 PolarHBondContact OG-N 2.88Å; S50-L53 VanDerWaalsContact OG-N 3.13Å; L53-T55 WeakPolarHBondContact CB-OG1 3.3Å; L53-T55 PolarHBondContact O-N 3.3Å; L53-V57 HydrophobicContact CD1-CG1 4.11Å; L53-W141 HydrophobicContact CD1-CD2 3.74Å; L53-W141 HydrophobicContact CD1-CE3 3.73Å; L53-W141 HydrophobicContact CD1-CG 4.43Å; L53-W141 HydrophobicContact CD1-CH2 3.96Å; L53-W141 HydrophobicContact CD1-CZ2 3.96Å; L53-W141 HydrophobicContact CD1-CZ3 3.84Å; L53-W141 HydrophobicContact CD2-CB 4.42Å; L53-W141 HydrophobicContact CD2-CD2 4.13Å; L53-W141 HydrophobicContact CD2-CG 3.95Å; L53-W141 HydrophobicContact CG-CD2 3.98Å; L53-W141 HydrophobicContact CG-CE3 4.48Å; L53-W141 HydrophobicContact CG-CG 4.27Å; L53-W141 HydrophobicContact CG-CZ2 4.28Å |
| 54 | R | 81.8 | Confident | 85.5 | Confident | 144 Ų | 144 | 63 Ų | 63 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 62 | -10.3 | -171.7 | -56.3 | -176.7 | -179.8 | 177.9 | 3.4 | 115.7 | K49 S50 L52 N199 | K49-R54 WeakPolarHBondContact CE-O 3.33Å; S50-R54 WeakPolarHBondContact O-CA 3.46Å; S50-R54 PolarHBondContact O-N 3.28Å; L52-R54 VanDerWaalsContact C-N 3.26Å; L52-R54 PolarHBondContact O-N 2.67Å; R54-N199 VanDerWaalsContact NH1-CG 3.29Å; R54-N199 PolarHBondContact NH1-OD1 3.32Å; R54-N199 PolarHBondContact NH2-OD1 3.24Å |
| 55 | T | 85.2 | Confident | 84.8 | Confident | 32 Ų | 32 | 67 Ų | 67 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -84.8 | 169.3 | 174 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | N29 S50 L53 | N29-T55 WeakPolarHBondContact OD1-CB 3.33Å; S50-T55 PolarHBondContact N-O 3.46Å; L53-T55 WeakPolarHBondContact CB-OG1 3.3Å; L53-T55 PolarHBondContact O-N 3.3Å |
| 56 | Q | 89.3 | Confident | 84.3 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 142.5 | 162 | -69.7 | 173.3 | -25.3 | 0 | 0 | 110.8 | A28 N29 L47 | A28-Q56 WeakPolarHBondContact CB-O 3.5Å; N29-Q56 PolarHBondContact OD1-N 2.62Å; N29-Q56 VanDerWaalsContact OD1-N 3.09Å; L47-Q56 HydrophobicContact CD1-CB 4Å; L47-Q56 HydrophobicContact CD2-CB 4.31Å; L47-Q56 HydrophobicContact CD2-CG 4.35Å; L47-Q56 HydrophobicContact CG-CB 4.04Å; L47-Q56 HydrophobicContact CG-CG 4.35Å |
| 57 | V | 92.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143.3 | 176.1 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | V48 L53 K59 W141 Y174 | V48-V57 PolarHBondContact N-O 2.94Å; V48-V57 WeakPolarHBondContact O-CG2 3.05Å; V48-V57 PolarHBondContact O-N 3.13Å; V48-V57 VanDerWaalsContact O-O 3.14Å; L53-V57 HydrophobicContact CD1-CG1 4.11Å; V57-K59 PolarHBondContact O-N 3.37Å; V57-W141 HydrophobicContact CB-CH2 3.99Å; V57-W141 HydrophobicContact CB-CZ2 4.5Å; V57-W141 HydrophobicContact CG1-CH2 3.67Å; V57-W141 HydrophobicContact CG1-CZ2 4.06Å; V57-W141 HydrophobicContact CG2-CH2 4.16Å; V57-W141 HydrophobicContact CG2-CZ2 4.26Å; V57-Y174 HydrophobicContact CG2-CD1 4.07Å |
| 58 | V | 92.7 | Very high | 84 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 113.7 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 109.6 | F26 A28 F34 I45 L47 L60 L69 Y174 L175 | F26-V58 HydrophobicContact CE2-CG2 4.23Å; F26-V58 HydrophobicContact CZ-CB 4.11Å; F26-V58 HydrophobicContact CZ-CG2 3.68Å; A28-V58 HydrophobicContact CB-CG2 4.09Å; F34-V58 HydrophobicContact CE1-CG1 4.14Å; F34-V58 HydrophobicContact CE1-CG2 3.81Å; F34-V58 HydrophobicContact CZ-CG1 4.3Å; F34-V58 HydrophobicContact CZ-CG2 3.68Å; I45-V58 HydrophobicContact CG2-CG1 3.61Å; L47-V58 HydrophobicContact CD1-CG2 3.59Å; V58-L60 HydrophobicContact CG1-CD2 3.78Å; V58-L60 HydrophobicContact CG1-CG 4.31Å; V58-L69 HydrophobicContact CG1-CD1 4.26Å; V58-Y174 CarbonylContact O-C 3.5Å; V58-Y174 WeakPolarHBondContact O-CA 3.47Å; V58-L175 PolarHBondContact N-O 3.01Å; V58-L175 PolarHBondContact O-N 3.31Å |
| 59 | K | 92 | Very high | 84 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 122.1 | 169.2 | 179.7 | -171.5 | 177.1 | -166.6 | 0 | 108.8 | S46 V48 V57 Y174 | S46-K59 PolarHBondContact N-O 3.46Å; S46-K59 PolarHBondContact O-N 2.75Å; V48-K59 HydrophobicContact CG2-CB 3.83Å; V48-K59 HydrophobicContact CG2-CD 4.22Å; V57-K59 PolarHBondContact O-N 3.37Å; K59-Y174 HydrophobicContact CB-CD1 3.67Å; K59-Y174 HydrophobicContact CB-CE1 3.68Å; K59-Y174 HydrophobicContact CD-CE1 3.82Å; K59-Y174 HydrophobicContact CG-CD1 3.97Å; K59-Y174 HydrophobicContact CG-CE1 3.57Å |
| 60 | L | 90.9 | Very high | 84 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.8 | 170.6 | -59.1 | 179.9 | 0 | 0 | 0 | 109.6 | I45 V58 L69 V169 F172 C173 | I45-L60 HydrophobicContact CB-CD2 4.25Å; I45-L60 HydrophobicContact CD1-CD2 3.72Å; I45-L60 HydrophobicContact CG1-CD2 3.7Å; I45-L60 HydrophobicContact CG2-CD2 3.89Å; V58-L60 HydrophobicContact CG1-CD2 3.78Å; V58-L60 HydrophobicContact CG1-CG 4.31Å; L60-L69 HydrophobicContact CD1-CD1 4.23Å; L60-L69 HydrophobicContact CD1-CG 4.27Å; L60-L69 HydrophobicContact CD2-CD1 3.96Å; L60-L69 HydrophobicContact CD2-CG 3.92Å; L60-V169 HydrophobicContact CD1-CB 4.39Å; L60-V169 HydrophobicContact CD1-CG1 3.88Å; L60-F172 PolarHBondContact O-N 3.29Å; L60-C173 PolarHBondContact N-O 2.9Å |
| 61 | S | 86.5 | Confident | 84.2 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | trans | -104.7 | 173 | 170.1 | -7.6 | 0 | 0 | 0 | 0 | 109.5 | N44 T67 P171 | N44-S61 VanDerWaalsContact CB-O 3.22Å; N44-S61 WeakPolarHBondContact CB-O 3.5Å; N44-S61 WeakPolarHBondContact O-CB 3.32Å; N44-S61 PolarHBondContact O-N 3.48Å; N44-S61 PolarHBondContact O-OG 3.29Å; S61-T67 WeakPolarHBondContact O-CB 3.14Å; S61-T67 WeakPolarHBondContact O-CG2 3.34Å; S61-P171 WeakPolarHBondContact O-CB 3.31Å; S61-P171 WeakPolarHBondContact O-CG 3.49Å | ||
| 62 | T | 81.1 | Confident | 83.9 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | trans | -124.8 | 152.1 | 165 | -148.7 | 0 | 0 | 0 | 0 | 109.9 | Q65 F172 | T62-Q65 PolarHBondContact OG1-O 3.32Å; T62-F172 HydrophobicContact CG2-CE1 3.91Å; T62-F172 HydrophobicContact CG2-CZ 3.48Å; T62-F172 VanDerWaalsContact CG2-CZ 3.48Å | ||
| 63 | S | 72.2 | Confident | 83.5 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -119.9 | -151.6 | 158.9 | 68.1 | 0 | 0 | 0 | 0 | 107.6 | N44 Q65 | N44-S63 PolarHBondContact ND2-N 3.41Å; N44-S63 PolarHBondContact ND2-OG 3.44Å; N44-S63 VanDerWaalsContact OD1-CB 3.32Å; N44-S63 WeakPolarHBondContact OD1-CB 3.19Å; N44-S63 PolarHBondContact OD1-OG 3.47Å; N44-S63 VanDerWaalsContact OD1-OG 3.13Å; S63-Q65 PolarHBondContact O-N 3.38Å |
| 64 | Q | 71.4 | Confident | 82.5 | Confident | 208 Ų | 208 | 53 Ų | 53 | 97% | 0.972 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -59.9 | -25 | 175 | -64.7 | 171.6 | -11.9 | 0 | 0 | 113.2 | ||
| 65 | Q | 70 | Confident | 81.3 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -90.9 | 148.1 | 178.3 | -64.5 | -173.8 | 0.8 | 0 | 0 | 112.7 | T62 S63 T67 | T62-Q65 PolarHBondContact OG1-O 3.32Å; S63-Q65 PolarHBondContact O-N 3.38Å; Q65-T67 PolarHBondContact O-N 3.34Å |
| 66 | S | 78.5 | Confident | 79.8 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 64% | 0.643 | 27% | 0.265 | S | S | * | . | trans | -76.6 | 77.7 | -175.2 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | H68 | S66-H68 PolarHBondContact O-ND1 2.9Š| ||
| 67 | T | 85.2 | Confident | 78.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | trans | -63.4 | 135.8 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | S40 G41 N44 I45 S61 Q65 P171 | S40-T67 VanDerWaalsContact O-CA 3.24Å; S40-T67 WeakPolarHBondContact O-CA 3.22Å; G41-T67 PolarHBondContact O-OG1 3.02Å; N44-T67 HydrophobicContact CB-CG2 4.23Å; N44-T67 WeakPolarHBondContact CB-OG1 3.36Å; N44-T67 PolarHBondContact ND2-OG1 3.31Å; I45-T67 HydrophobicContact CD1-CG2 3.88Å; I45-T67 HydrophobicContact CG1-CG2 3.48Å; I45-T67 VanDerWaalsContact CG1-CG2 3.48Å; S61-T67 WeakPolarHBondContact O-CB 3.14Å; S61-T67 WeakPolarHBondContact O-CG2 3.34Å; Q65-T67 PolarHBondContact O-N 3.34Å; T67-P171 HydrophobicContact CG2-CG 4.24Å; T67-P171 VanDerWaalsContact O-CD 3.23Å; T67-P171 WeakPolarHBondContact O-CD 3.5Å; T67-P171 WeakPolarHBondContact O-CG 3.39Å | ||
| 68 | H | 88.7 | Confident | 76.3 | Confident | 38 Ų | 38 | 59 Ų | 59 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 160.1 | 170.1 | 53.6 | -85.8 | 0 | 0 | 0 | 112 | S40 S66 T168 V169 Y170 | S40-H68 WeakPolarHBondContact CB-CE1 3.48Å; S40-H68 WeakPolarHBondContact CB-ND1 3.11Å; S40-H68 WeakPolarHBondContact CB-NE2 3.4Å; S40-H68 PolarHBondContact N-O 3.22Å; S40-H68 PolarHBondContact O-N 2.96Å; S40-H68 PolarHBondContact OG-CD2 3.25Å; S40-H68 PolarHBondContact OG-CE1 3.21Å; S40-H68 PolarHBondContact OG-NE2 3.02Å; S66-H68 PolarHBondContact O-ND1 2.9Å; H68-T168 HydrophobicContact CB-CG2 4.02Å; H68-V169 WeakPolarHBondContact CA-O 3.47Å; H68-V169 WeakPolarHBondContact CB-O 3.26Å; H68-Y170 HydrophobicContact CB-CD1 3.82Å; H68-Y170 HydrophobicContact CB-CE1 4.1Å; H68-Y170 HydrophobicContact CB-CG 4.4Å |
| 69 | L | 90.3 | Very high | 74.5 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126 | 167.9 | -65.8 | -179.9 | 0 | 0 | 0 | 109.8 | F34 I39 I45 V58 L60 F71 T168 V169 | F34-L69 HydrophobicContact CD1-CD2 4.28Å; F34-L69 HydrophobicContact CE1-CD2 4.31Å; I39-L69 HydrophobicContact CB-CD2 4.5Å; I39-L69 HydrophobicContact CG1-CD2 3.7Å; I45-L69 HydrophobicContact CD1-CD2 3.55Å; I45-L69 HydrophobicContact CD1-CG 4.12Å; V58-L69 HydrophobicContact CG1-CD1 4.26Å; L60-L69 HydrophobicContact CD1-CD1 4.23Å; L60-L69 HydrophobicContact CD1-CG 4.27Å; L60-L69 HydrophobicContact CD2-CD1 3.96Å; L60-L69 HydrophobicContact CD2-CG 3.92Å; L69-F71 HydrophobicContact CB-CE2 3.91Å; L69-F71 HydrophobicContact CB-CZ 3.81Å; L69-F71 HydrophobicContact CD1-CZ 3.85Å; L69-F71 HydrophobicContact CG-CZ 4.48Å; L69-T168 CarbonylContact O-C 3.55Å; L69-T168 WeakPolarHBondContact O-CA 3.18Å; L69-V169 PolarHBondContact N-O 2.81Å; L69-V169 PolarHBondContact O-N 3.23Å |
| 70 | E | 89.2 | Confident | 73.1 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 115.9 | 173.6 | -173.6 | 178.6 | -146.7 | 0 | 0 | 111.6 | C37 H38 T166 I167 | C37-E70 CarbonylContact C-O 3.59Å; C37-E70 WeakPolarHBondContact CA-O 3.46Å; C37-E70 WeakPolarHBondContact CB-O 3.27Å; H38-E70 HydrophobicContact CB-CB 4.37Å; H38-E70 PolarHBondContact N-O 3.14Å; H38-E70 PolarHBondContact O-N 3.39Å; E70-T166 HydrophobicContact CG-CG2 3.93Å; E70-T166 WeakPolarHBondContact OE1-CB 3.23Å; E70-T166 WeakPolarHBondContact OE1-CG2 3.4Å; E70-T166 PolarHBondContact OE1-OG1 2.72Å; E70-I167 CarbonylContact C-O 3.55Å; E70-I167 WeakPolarHBondContact CA-O 3.36Å |
| 71 | F | 87.4 | Confident | 72.1 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 2% | 0.022 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126 | -178.4 | -54.7 | -82.1 | 0 | 0 | 0 | 111.6 | F26 C37 L69 Y73 T166 I167 V169 L175 L178 | F26-F71 HydrophobicContact CB-CD1 3.83Å; F26-F71 HydrophobicContact CB-CE1 3.37Å; F26-F71 HydrophobicContact CB-CZ 4.12Å; F26-F71 HydrophobicContact CD1-CE1 4.45Å; F26-F71 HydrophobicContact CD1-CZ 4.49Å; F26-F71 AromaticContact CD2-CE1 3.59Å; F26-F71 HydrophobicContact CD2-CE1 3.59Å; F26-F71 HydrophobicContact CD2-CZ 4.15Å; F26-F71 HydrophobicContact CG-CD1 4.48Å; F26-F71 AromaticContact CG-CE1 3.55Å; F26-F71 HydrophobicContact CG-CE1 3.55Å; F26-F71 AromaticContact CG-CZ 4Å; F26-F71 HydrophobicContact CG-CZ 4Å; C37-F71 HydrophobicContact CB-CD1 3.52Å; C37-F71 HydrophobicContact CB-CE1 3.57Å; C37-F71 HydrophobicContact CB-CG 4.26Å; C37-F71 HydrophobicContact CB-CZ 4.38Å; L69-F71 HydrophobicContact CB-CE2 3.91Å; L69-F71 HydrophobicContact CB-CZ 3.81Å; L69-F71 HydrophobicContact CD1-CZ 3.85Å; L69-F71 HydrophobicContact CG-CZ 4.48Å; F71-Y73 PolarHBondContact O-N 2.81Å; F71-T166 WeakPolarHBondContact O-CA 3.32Å; F71-I167 HydrophobicContact CB-CB 4.37Å; F71-I167 HydrophobicContact CD2-CB 4.36Å; F71-I167 HydrophobicContact CD2-CG2 4.39Å; F71-I167 WeakPolarHBondContact CD2-O 3.18Å; F71-I167 PolarHBondContact N-O 3.1Å; F71-I167 PolarHBondContact O-N 3.12Å; F71-I167 VanDerWaalsContact O-N 3.09Å; F71-V169 HydrophobicContact CD2-CG2 4.45Å; F71-V169 HydrophobicContact CE2-CB 4.38Å; F71-V169 HydrophobicContact CE2-CG2 3.86Å; F71-L175 HydrophobicContact CE2-CD2 4.23Å; F71-L175 HydrophobicContact CZ-CD2 3.86Å; F71-L178 HydrophobicContact CB-CD2 4.21Å; F71-L178 HydrophobicContact CD1-CD2 4.21Å; F71-L178 HydrophobicContact CD2-CD2 3.45Å; F71-L178 VanDerWaalsContact CD2-CD2 3.45Å; F71-L178 HydrophobicContact CE2-CD2 3.83Å; F71-L178 HydrophobicContact CG-CD2 3.68Å; F71-L178 HydrophobicContact CZ-CD2 4.37Å |
| 72 | M | 76.6 | Confident | 71.8 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 35% | 0.345 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 91.6 | -177.2 | -66.4 | -161.8 | 86.1 | 0 | 0 | 114.3 | K75 M76 T166 | M72-K75 HydrophobicContact CE-CD 4.49Å; M72-K75 HydrophobicContact SD-CD 4.22Å; M72-M76 WeakPolarHBondContact O-CE 3.33Å; M72-T166 HydrophobicContact CG-CG2 4.46Å |
| 73 | Y | 72.5 | Confident | 72 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | trans | -69 | -34.5 | 173.6 | -167 | -86.1 | 0 | 0 | 0 | 113.5 | L25 F71 K75 M76 Y81 L164 K165 V180 | L25-Y73 HydrophobicContact CD1-CD2 4.04Å; F71-Y73 PolarHBondContact O-N 2.81Å; Y73-K75 VanDerWaalsContact C-N 3.26Å; Y73-K75 PolarHBondContact O-N 2.8Å; Y73-K75 VanDerWaalsContact O-N 3.13Å; Y73-M76 PolarHBondContact O-N 2.72Å; Y73-Y81 WeakPolarHBondContact OH-CD2 3.24Å; Y73-Y81 PolarHBondContact OH-N 3.09Å; Y73-L164 HydrophobicContact CD1-CB 3.67Å; Y73-L164 HydrophobicContact CD1-CD2 4.42Å; Y73-L164 HydrophobicContact CD1-CG 4.31Å; Y73-L164 HydrophobicContact CD2-CD2 4.01Å; Y73-L164 HydrophobicContact CE1-CB 3.9Å; Y73-L164 HydrophobicContact CE2-CD2 4.3Å; Y73-L164 HydrophobicContact CG-CB 4.08Å; Y73-L164 HydrophobicContact CG-CD2 4.03Å; Y73-L164 HydrophobicContact CG-CG 4.21Å; Y73-K165 WeakPolarHBondContact CA-O 3.35Å; Y73-K165 WeakPolarHBondContact CB-O 3.45Å; Y73-K165 PolarHBondContact N-O 2.82Å; Y73-V180 HydrophobicContact CE2-CG1 4.1Å; Y73-V180 HydrophobicContact CE2-CG2 4.23Å | ||
| 74 | E | 59.3 | Low | 72.8 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -45.6 | -178.3 | 175.2 | 81.8 | -89.8 | 0 | 0 | 113.5 | M76 R102 K163 K165 | E74-M76 VanDerWaalsContact C-N 3.27Å; E74-M76 PolarHBondContact O-N 2.99Å; E74-R102 IonicContact OE1-CZ 2.66Å; E74-R102 VanDerWaalsContact OE1-CZ 3.28Å; E74-R102 IonicContact OE1-NH1 2.71Å; E74-R102 PolarHBondContact OE1-NH1 2.79Å; E74-R102 IonicContact OE1-NH2 3.99Å; E74-R102 PolarHBondContact OE1-NH2 2.8Å; E74-R102 IonicContact OE2-CZ 3.93Å; E74-R102 IonicContact OE2-NH1 2.87Å; E74-R102 PolarHBondContact OE2-NH1 3.31Å; E74-R102 IonicContact OE2-NH2 2.67Å; E74-R102 PolarHBondContact OE2-NH2 2.62Å; E74-K163 WeakPolarHBondContact O-CE 3.49Å; E74-K163 PolarHBondContact O-NZ 2.94Å; E74-K163 WeakPolarHBondContact OE1-CD 3.37Å; E74-K163 VanDerWaalsContact OE1-CE 3.26Å; E74-K163 WeakPolarHBondContact OE1-CE 3.4Å; E74-K163 IonicContact OE1-NZ 2.77Å; E74-K163 PolarHBondContact OE1-NZ 3.04Å; E74-K165 HydrophobicContact CB-CG 4.03Å; E74-K165 PolarHBondContact N-O 2.98Å |
| 75 | K | 56.4 | Low | 73.7 | Confident | 116 Ų | 116 | 53 Ų | 53 | 50% | 0.504 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.7 | -173.2 | -67 | -174.6 | 173.9 | -176.6 | 0 | 113.3 | M72 Y73 | M72-K75 HydrophobicContact CE-CD 4.49Å; M72-K75 HydrophobicContact SD-CD 4.22Å; Y73-K75 VanDerWaalsContact C-N 3.26Å; Y73-K75 PolarHBondContact O-N 2.8Å; Y73-K75 VanDerWaalsContact O-N 3.13Å |
| 76 | M | 52.6 | Low | 74.8 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -29.4 | -160.9 | -65.5 | -164.1 | -169.6 | 0 | 0 | 115.6 | R23 L25 R36 M72 Y73 E74 | R23-M76 VanDerWaalsContact CZ-O 3.23Å; R23-M76 PolarHBondContact NH1-O 3Å; R23-M76 PolarHBondContact NH2-O 2.97Å; L25-M76 HydrophobicContact CD2-SD 3.72Å; R36-M76 HydrophobicContact CB-CE 3.91Å; R36-M76 HydrophobicContact CG-CE 3.82Å; M72-M76 WeakPolarHBondContact O-CE 3.33Å; Y73-M76 PolarHBondContact O-N 2.72Å; E74-M76 VanDerWaalsContact C-N 3.27Å; E74-M76 PolarHBondContact O-N 2.99Å |
| 77 | S | 53.5 | Low | 75.5 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | trans | -150.1 | 143 | -174.6 | -165.4 | 0 | 0 | 0 | 0 | 114 | I79 K163 | S77-I79 WeakPolarHBondContact CB-O 3.47Å; S77-I79 WeakPolarHBondContact OG-CA 3.45Å; S77-I79 PolarHBondContact OG-N 3.23Å; S77-I79 PolarHBondContact OG-O 3Å; S77-K163 VanDerWaalsContact O-CE 3.26Å; S77-K163 WeakPolarHBondContact O-CE 3.4Å | ||
| 78 | R | 55 | Low | 75.9 | Confident | 215 Ų | 215 | 45.8 Ų | 45.8 | 81% | 0.811 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -84.6 | -21.1 | 159.3 | -65.9 | -174.5 | -177.8 | -172.4 | 1.2 | 112.1 | I391 | R78-I391 VanDerWaalsContact NH2-CD1 3.32Š|
| 79 | I | 56 | Low | 76.1 | Confident | 97 Ų | 97 | 45.7 Ų | 45.7 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -93 | 127.5 | -177 | -48 | 171.3 | 0 | 0 | 0 | 108.8 | M20 S77 Y81 | M20-I79 HydrophobicContact CE-CB 4.04Å; M20-I79 HydrophobicContact CE-CD1 4.3Å; M20-I79 HydrophobicContact CE-CG2 3.54Å; M20-I79 HydrophobicContact SD-CD1 3.82Å; M20-I79 HydrophobicContact SD-CG2 4.34Å; S77-I79 WeakPolarHBondContact CB-O 3.47Å; S77-I79 WeakPolarHBondContact OG-CA 3.45Å; S77-I79 PolarHBondContact OG-N 3.23Å; S77-I79 PolarHBondContact OG-O 3Å; I79-Y81 PolarHBondContact O-N 3.44Å |
| 80 | L | 60.8 | Low | 76.1 | Confident | 71 Ų | 71 | 45.8 Ų | 45.8 | 37% | 0.372 | 20% | 0.203 | S | C | . | . | trans | -71.3 | 112.4 | 173.4 | -71.9 | 168.5 | 0 | 0 | 0 | 109.9 | L161 | L80-L161 HydrophobicContact CD1-CB 4.15Å; L80-L161 WeakPolarHBondContact CD1-O 3.49Å; L80-L161 HydrophobicContact CD2-CB 4.35Å; L80-L161 HydrophobicContact CD2-CD2 3.94Å | ||
| 81 | Y | 70.9 | Confident | 76.1 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | trans | -74.3 | 131.5 | 165.9 | -65.5 | -93 | 0 | 0 | 0 | 108.9 | M20 R23 Y73 I79 V180 | M20-Y81 HydrophobicContact CE-CD1 3.73Å; M20-Y81 HydrophobicContact CE-CE1 3.42Å; M20-Y81 VanDerWaalsContact CE-CE1 3.42Å; M20-Y81 HydrophobicContact CE-CE2 4.39Å; M20-Y81 HydrophobicContact CE-CG 4.34Å; M20-Y81 HydrophobicContact SD-CE1 4.42Å; R23-Y81 HydrophobicContact CB-CE1 4.09Å; R23-Y81 WeakPolarHBondContact CD-OH 3.32Å; R23-Y81 PolarHBondContact NH1-OH 2.89Å; Y73-Y81 WeakPolarHBondContact OH-CD2 3.24Å; Y73-Y81 PolarHBondContact OH-N 3.09Å; I79-Y81 PolarHBondContact O-N 3.44Å; Y81-V180 HydrophobicContact CD1-CB 4.29Å; Y81-V180 HydrophobicContact CD1-CG2 3.97Å; Y81-V180 HydrophobicContact CD2-CB 4.38Å; Y81-V180 HydrophobicContact CD2-CG2 3.68Å; Y81-V180 HydrophobicContact CE1-CG2 4.38Å; Y81-V180 HydrophobicContact CE2-CG2 4.11Å; Y81-V180 HydrophobicContact CG-CB 3.89Å; Y81-V180 HydrophobicContact CG-CG2 3.6Å | ||
| 82 | R | 79.6 | Confident | 75.9 | Confident | 108 Ų | 108 | 49.4 Ų | 49.4 | 41% | 0.408 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -78.6 | -37.8 | -173.5 | 178.6 | 171.6 | 169.9 | -175.7 | -4.5 | 112.7 | D147 L148 F149 T181 | R82-D147 VanDerWaalsContact CG-OD1 3.31Å; R82-D147 WeakPolarHBondContact CG-OD1 3.31Å; R82-D147 IonicContact CZ-OD1 3.74Å; R82-D147 IonicContact CZ-OD2 2.87Å; R82-D147 VanDerWaalsContact NE-CG 3.33Å; R82-D147 IonicContact NE-OD1 2.71Å; R82-D147 PolarHBondContact NE-OD1 3.24Å; R82-D147 VanDerWaalsContact NE-OD1 3.09Å; R82-D147 IonicContact NE-OD2 2.86Å; R82-D147 PolarHBondContact NE-OD2 3.41Å; R82-D147 IonicContact NH2-OD1 3.09Å; R82-D147 IonicContact NH2-OD2 2.73Å; R82-D147 PolarHBondContact NH2-OD2 3.31Å; R82-L148 WeakPolarHBondContact O-CB 3.22Å; R82-L148 PolarHBondContact O-N 2.86Å; R82-F149 HydrophobicContact CG-CB 4.01Å; R82-T181 PolarHBondContact N-O 3.47Å; R82-T181 VanDerWaalsContact N-O 3.11Å |
| 83 | F | 85.8 | Confident | 75.9 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.1 | -175.3 | -58.1 | -89 | 0 | 0 | 0 | 110.9 | T145 I146 D147 V180 T181 S182 Y183 S184 | F83-T145 HydrophobicContact CB-CG2 4.25Å; F83-T145 HydrophobicContact CD1-CG2 4.12Å; F83-I146 WeakPolarHBondContact CA-O 3.42Å; F83-D147 HydrophobicContact CD1-CB 3.85Å; F83-D147 HydrophobicContact CE1-CB 3.54Å; F83-D147 VanDerWaalsContact CE1-CG 3.48Å; F83-D147 VanDerWaalsContact CE1-OD2 3.22Å; F83-D147 WeakPolarHBondContact CE1-OD2 3.41Å; F83-D147 HydrophobicContact CZ-CB 4.41Å; F83-D147 WeakPolarHBondContact CZ-OD2 3.35Å; F83-V180 CarbonylContact O-C 3.49Å; F83-V180 VanDerWaalsContact O-CA 3.28Å; F83-V180 WeakPolarHBondContact O-CA 3.41Å; F83-T181 HydrophobicContact CB-CG2 3.83Å; F83-T181 PolarHBondContact N-O 3.36Å; F83-T181 PolarHBondContact O-N 2.55Å; F83-S182 WeakPolarHBondContact CE2-O 3.41Å; F83-Y183 VanDerWaalsContact CD2-C 3.46Å; F83-Y183 WeakPolarHBondContact CD2-O 3.4Å; F83-Y183 VanDerWaalsContact CE2-C 3.47Å; F83-Y183 WeakPolarHBondContact CE2-O 3.45Å; F83-S184 VanDerWaalsContact CE2-CA 3.44Å; F83-S184 VanDerWaalsContact CZ-CA 3.41Å; F83-S184 VanDerWaalsContact CZ-CB 3.46Å |
| 84 | L | 89.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.3 | 173.1 | 176.2 | 63.1 | 0 | 0 | 0 | 109.1 | F86 L100 T145 I146 L148 I167 L178 V180 | L84-F86 HydrophobicContact CD1-CE2 4.42Å; L84-F86 HydrophobicContact CD2-CE2 3.61Å; L84-F86 HydrophobicContact CD2-CZ 3.9Å; L84-F86 HydrophobicContact CG-CD2 4.31Å; L84-F86 HydrophobicContact CG-CE2 3.68Å; L84-F86 HydrophobicContact CG-CZ 4.26Å; L84-L100 HydrophobicContact CD2-CD1 3.97Å; L84-L100 HydrophobicContact CD2-CD2 3.6Å; L84-L100 HydrophobicContact CD2-CG 4.48Å; L84-T145 CarbonylContact O-C 3.6Å; L84-T145 WeakPolarHBondContact O-CA 3.39Å; L84-I146 PolarHBondContact N-O 3.3Å; L84-I146 PolarHBondContact O-N 3.31Å; L84-L148 HydrophobicContact CB-CD1 4.17Å; L84-L148 HydrophobicContact CB-CD2 4.15Å; L84-L148 HydrophobicContact CB-CG 4.18Å; L84-L148 HydrophobicContact CD2-CD2 4.33Å; L84-I167 HydrophobicContact CD1-CD1 3.74Å; L84-I167 HydrophobicContact CD2-CD1 4.09Å; L84-L178 HydrophobicContact CD1-CD1 3.83Å; L84-V180 HydrophobicContact CB-CG1 4.38Å; L84-V180 HydrophobicContact CD1-CG1 3.42Å; L84-V180 VanDerWaalsContact CD1-CG1 3.42Å |
| 85 | I | 91 | Very high | 77.7 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.046 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.9 | -172.7 | -52.8 | 163.4 | 0 | 0 | 0 | 109.2 | L144 T145 S179 T181 I185 | I85-L144 WeakPolarHBondContact CA-O 3.4Å; I85-T145 HydrophobicContact CG1-CG2 4.25Å; I85-S179 PolarHBondContact N-O 3.02Å; I85-S179 PolarHBondContact O-N 3.41Å; I85-T181 HydrophobicContact CD1-CG2 3.82Å; I85-I185 HydrophobicContact CD1-CD1 3.49Å; I85-I185 VanDerWaalsContact CD1-CD1 3.49Å; I85-I185 HydrophobicContact CG1-CD1 4.18Å |
| 86 | F | 92.9 | Very high | 79.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.4 | 169.9 | -60.6 | -104.9 | 0 | 0 | 0 | 109.2 | L84 I88 F98 N143 L144 I146 I167 V169 L175 L178 | L84-F86 HydrophobicContact CD1-CE2 4.42Å; L84-F86 HydrophobicContact CD2-CE2 3.61Å; L84-F86 HydrophobicContact CD2-CZ 3.9Å; L84-F86 HydrophobicContact CG-CD2 4.31Å; L84-F86 HydrophobicContact CG-CE2 3.68Å; L84-F86 HydrophobicContact CG-CZ 4.26Å; F86-I88 HydrophobicContact CB-CB 4.19Å; F86-I88 HydrophobicContact CB-CG2 3.88Å; F86-F98 HydrophobicContact CE1-CD2 4.5Å; F86-F98 HydrophobicContact CE2-CD2 4.3Å; F86-F98 AromaticContact CE2-CE2 3.96Å; F86-F98 HydrophobicContact CE2-CE2 3.96Å; F86-F98 HydrophobicContact CE2-CZ 4.25Å; F86-F98 AromaticContact CZ-CD2 3.77Å; F86-F98 HydrophobicContact CZ-CD2 3.77Å; F86-F98 AromaticContact CZ-CE2 3.91Å; F86-F98 HydrophobicContact CZ-CE2 3.91Å; F86-F98 HydrophobicContact CZ-CG 4.24Å; F86-F98 HydrophobicContact CZ-CZ 4.48Å; F86-N143 CarbonylContact O-C 3.47Å; F86-N143 WeakPolarHBondContact O-CA 3.22Å; F86-L144 HydrophobicContact CB-CB 4.4Å; F86-L144 PolarHBondContact N-O 2.98Å; F86-L144 PolarHBondContact O-N 2.98Å; F86-I146 HydrophobicContact CE2-CD1 4.04Å; F86-I167 HydrophobicContact CE1-CG2 4.15Å; F86-I167 HydrophobicContact CZ-CG2 3.98Å; F86-V169 HydrophobicContact CE1-CG2 3.86Å; F86-L175 HydrophobicContact CD1-CD1 4.33Å; F86-L178 HydrophobicContact CD1-CD1 3.44Å; F86-L178 VanDerWaalsContact CD1-CD1 3.44Å; F86-L178 HydrophobicContact CD2-CD1 4.26Å; F86-L178 HydrophobicContact CE1-CD1 3.42Å; F86-L178 VanDerWaalsContact CE1-CD1 3.42Å; F86-L178 HydrophobicContact CE2-CD1 4.25Å; F86-L178 HydrophobicContact CG-CD1 3.88Å; F86-L178 HydrophobicContact CZ-CD1 3.85Å |
| 87 | R | 92.8 | Very high | 81.2 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 95.5 | 167 | -169.8 | 168.9 | 175.2 | -135.8 | 4.9 | 107.9 | L142 N143 S176 E177 E203 | R87-L142 CarbonylContact C-O 3.55Å; R87-L142 WeakPolarHBondContact CA-O 3.23Å; R87-N143 WeakPolarHBondContact CB-OD1 3.37Å; R87-N143 WeakPolarHBondContact CG-OD1 3.41Å; R87-S176 PolarHBondContact O-N 3.49Å; R87-E177 HydrophobicContact CB-CB 3.75Å; R87-E177 PolarHBondContact N-O 3.41Å; R87-E177 PolarHBondContact O-N 2.98Å; R87-E203 IonicContact CZ-OE1 3.02Å; R87-E203 IonicContact NE-OE1 3.28Å; R87-E203 PolarHBondContact NE-OE1 3.24Å; R87-E203 IonicContact NE-OE2 2.96Å; R87-E203 IonicContact NH2-OE1 3.17Å; R87-E203 PolarHBondContact NH2-OE1 2.89Å |
| 88 | I | 93.3 | Very high | 83.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 144.6 | -159.1 | -170.7 | 164.7 | 0 | 0 | 0 | 112.4 | F86 I90 F96 L142 L144 C173 Y174 L175 | F86-I88 HydrophobicContact CB-CB 4.19Å; F86-I88 HydrophobicContact CB-CG2 3.88Å; I88-I90 HydrophobicContact CD1-CG1 4.41Å; I88-I90 HydrophobicContact CG1-CG1 4.25Å; I88-F96 HydrophobicContact CD1-CE1 3.98Å; I88-F96 HydrophobicContact CD1-CE2 3.91Å; I88-F96 HydrophobicContact CD1-CZ 3.4Å; I88-L142 PolarHBondContact N-O 3.41Å; I88-L142 PolarHBondContact O-N 3.16Å; I88-L144 HydrophobicContact CG2-CB 4.31Å; I88-C173 HydrophobicContact CD1-CB 3.79Å; I88-C173 HydrophobicContact CG1-CB 3.9Å; I88-Y174 WeakPolarHBondContact CA-O 3.47Å; I88-L175 HydrophobicContact CB-CD1 4.39Å; I88-L175 HydrophobicContact CD1-CD1 4.45Å |
| 89 | F | 92.5 | Very high | 84.9 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.4 | 167.2 | -176.8 | -79 | 0 | 0 | 0 | 108.9 | S139 W141 C173 Y174 | F89-S139 WeakPolarHBondContact CE2-O 3.46Å; F89-S139 VanDerWaalsContact CZ-CA 3.48Å; F89-W141 HydrophobicContact CB-CD2 3.79Å; F89-W141 HydrophobicContact CB-CE3 3.83Å; F89-W141 HydrophobicContact CB-CG 4.43Å; F89-W141 HydrophobicContact CB-CH2 3.94Å; F89-W141 HydrophobicContact CB-CZ2 3.9Å; F89-W141 HydrophobicContact CB-CZ3 3.92Å; F89-W141 AromaticContact CD2-CD1 3.97Å; F89-W141 HydrophobicContact CD2-CD2 4.33Å; F89-W141 HydrophobicContact CD2-CG 4.2Å; F89-W141 AromaticContact CD2-NE1 3.94Å; F89-C173 CarbonylContact O-C 3.6Å; F89-C173 WeakPolarHBondContact O-CA 3.18Å; F89-C173 WeakPolarHBondContact O-CB 3.48Å; F89-Y174 HydrophobicContact CB-CD2 4.42Å; F89-Y174 AromaticContact CD1-CD2 3.85Å; F89-Y174 HydrophobicContact CD1-CD2 3.85Å; F89-Y174 HydrophobicContact CD1-CE2 4.31Å; F89-Y174 HydrophobicContact CG-CD2 4.47Å; F89-Y174 PolarHBondContact N-O 2.89Å; F89-Y174 PolarHBondContact O-N 2.82Å |
| 90 | I | 91.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.3 | -179 | -63.3 | 167.7 | 0 | 0 | 0 | 109.1 | I88 F96 V136 R138 S139 | I88-I90 HydrophobicContact CD1-CG1 4.41Å; I88-I90 HydrophobicContact CG1-CG1 4.25Å; I90-F96 HydrophobicContact CD1-CD1 3.6Å; I90-F96 HydrophobicContact CD1-CE1 3.82Å; I90-F96 HydrophobicContact CD1-CG 4.47Å; I90-F96 HydrophobicContact CG1-CD1 3.78Å; I90-F96 HydrophobicContact CG1-CE1 4.1Å; I90-F96 HydrophobicContact CG1-CG 4.21Å; I90-F96 HydrophobicContact CG2-CB 3.8Å; I90-F96 HydrophobicContact CG2-CD1 4.26Å; I90-F96 HydrophobicContact CG2-CG 4.21Å; I90-V136 HydrophobicContact CD1-CG1 3.85Å; I90-R138 HydrophobicContact CG2-CG 4.26Å; I90-S139 PolarHBondContact O-N 2.79Å |
| 91 | S | 88.4 | Confident | 87.2 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | trans | -66.2 | 144.4 | 179.7 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | R138 F172 | S91-R138 PolarHBondContact O-NH1 2.65Å; S91-F172 PolarHBondContact N-O 3.12Å; S91-F172 PolarHBondContact OG-O 3.06Å | ||
| 92 | N | 83 | Confident | 86.8 | Confident | 108 Ų | 108 | 39.2 Ų | 39.2 | 58% | 0.578 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -72.2 | -36.7 | 179.3 | -164.8 | 45.2 | 0 | 0 | 0 | 113.5 | Q94 R138 S139 | N92-Q94 PolarHBondContact O-N 3.29Å; N92-R138 HydrophobicContact CB-CB 4.47Å; N92-R138 PolarHBondContact O-NH1 2.87Å; N92-S139 WeakPolarHBondContact CB-OG 3.4Å |
| 93 | E | 76.5 | Confident | 85.8 | Confident | 170 Ų | 170 | 34.8 Ų | 34.8 | 79% | 0.794 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -75.8 | -21.7 | -167.5 | -67.5 | 158.9 | -161.8 | 0 | 0 | 115.2 | ||
| 94 | Q | 84.2 | Confident | 84 | Confident | 87 Ų | 87 | 37.1 Ų | 37.1 | 41% | 0.407 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -136 | 163.1 | -161.9 | -54.8 | -169.6 | 44.3 | 0 | 0 | 112.4 | N92 F96 R138 F172 | N92-Q94 PolarHBondContact O-N 3.29Å; Q94-F96 PolarHBondContact O-N 3.42Å; Q94-R138 PolarHBondContact O-NH1 2.85Å; Q94-F172 HydrophobicContact CB-CB 3.91Å; Q94-F172 HydrophobicContact CB-CD1 4.09Å; Q94-F172 HydrophobicContact CB-CD2 3.93Å; Q94-F172 HydrophobicContact CB-CE2 4.46Å; Q94-F172 HydrophobicContact CB-CG 3.69Å |
| 95 | D | 86.3 | Confident | 82 | Confident | 69 Ų | 69 | 38.5 Ų | 38.5 | 37% | 0.369 | 19% | 0.193 | S | C | . | . | trans | -90.1 | 102.8 | -170.3 | -99.1 | -28.7 | 0 | 0 | 0 | 113.3 | T117 K118 | D95-T117 VanDerWaalsContact CA-OG1 3.3Å; D95-T117 WeakPolarHBondContact CA-OG1 3.19Å; D95-T117 WeakPolarHBondContact OD1-CB 3.5Å; D95-T117 PolarHBondContact OD1-OG1 2.94Å; D95-K118 PolarHBondContact OD1-N 3.11Å; D95-K118 WeakPolarHBondContact OD2-CB 3.27Å; D95-K118 WeakPolarHBondContact OD2-CD 3.39Å; D95-K118 WeakPolarHBondContact OD2-CG 3.43Å | ||
| 96 | F | 90.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -79.7 | 145.9 | 174.9 | 174.5 | -114 | 0 | 0 | 0 | 112.1 | I88 I90 Q94 F98 S116 T117 L133 V169 C173 | I88-F96 HydrophobicContact CD1-CE1 3.98Å; I88-F96 HydrophobicContact CD1-CE2 3.91Å; I88-F96 HydrophobicContact CD1-CZ 3.4Å; I90-F96 HydrophobicContact CD1-CD1 3.6Å; I90-F96 HydrophobicContact CD1-CE1 3.82Å; I90-F96 HydrophobicContact CD1-CG 4.47Å; I90-F96 HydrophobicContact CG1-CD1 3.78Å; I90-F96 HydrophobicContact CG1-CE1 4.1Å; I90-F96 HydrophobicContact CG1-CG 4.21Å; I90-F96 HydrophobicContact CG2-CB 3.8Å; I90-F96 HydrophobicContact CG2-CD1 4.26Å; I90-F96 HydrophobicContact CG2-CG 4.21Å; Q94-F96 PolarHBondContact O-N 3.42Å; F96-F98 AromaticContact CE1-CD1 3.64Å; F96-F98 HydrophobicContact CE1-CD1 3.64Å; F96-F98 HydrophobicContact CE1-CE1 4.17Å; F96-F98 HydrophobicContact CZ-CB 4.37Å; F96-F98 AromaticContact CZ-CD1 3.77Å; F96-F98 HydrophobicContact CZ-CD1 3.77Å; F96-S116 WeakPolarHBondContact O-CA 3.44Å; F96-S116 PolarHBondContact O-OG 3.23Å; F96-T117 HydrophobicContact CB-CG2 4.26Å; F96-T117 PolarHBondContact N-OG1 3.06Å; F96-T117 PolarHBondContact O-N 2.88Å; F96-T117 PolarHBondContact O-OG1 2.98Å; F96-L133 HydrophobicContact CD1-CD1 3.88Å; F96-L133 HydrophobicContact CE1-CD1 4.06Å; F96-V169 HydrophobicContact CE2-CG1 3.99Å; F96-V169 HydrophobicContact CZ-CG1 4.35Å; F96-C173 HydrophobicContact CD2-CB 3.76Å; F96-C173 HydrophobicContact CE2-CB 3.74Å; F96-C173 VanDerWaalsContact CE2-SG 3.58Å | ||
| 97 | K | 92.5 | Very high | 78.4 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 30% | 0.296 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 158.2 | 169.5 | 61.8 | 161.6 | -175 | 144.8 | 0 | 113.5 | F115 Y170 | K97-F115 CarbonylContact C-O 3.51Å; K97-F115 WeakPolarHBondContact CA-O 3.23Å; K97-F115 VanDerWaalsContact CB-O 3.26Å; K97-F115 WeakPolarHBondContact CB-O 3.25Å; K97-Y170 HydrophobicContact CD-CD2 3.85Å; K97-Y170 HydrophobicContact CD-CE2 4.08Å; K97-Y170 HydrophobicContact CD-CG 4.11Å; K97-Y170 VanDerWaalsContact CE-CG 3.45Å; K97-Y170 HydrophobicContact CG-CD2 3.62Å; K97-Y170 HydrophobicContact CG-CE2 4.33Å; K97-Y170 HydrophobicContact CG-CG 3.81Å; K97-Y170 PolarHBondContact NZ-OH 3.04Å; K97-Y170 WeakPolarHBondContact O-CB 3.32Å; K97-Y170 WeakPolarHBondContact O-CD2 3.23Å; K97-Y170 PolarHBondContact O-N 3.27Å |
| 98 | F | 93.5 | Very high | 76.9 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147 | 165.4 | 65.2 | -87.5 | 0 | 0 | 0 | 111 | F86 F96 L100 F115 L133 L144 I146 T168 V169 | F86-F98 HydrophobicContact CE1-CD2 4.5Å; F86-F98 HydrophobicContact CE2-CD2 4.3Å; F86-F98 AromaticContact CE2-CE2 3.96Å; F86-F98 HydrophobicContact CE2-CE2 3.96Å; F86-F98 HydrophobicContact CE2-CZ 4.25Å; F86-F98 AromaticContact CZ-CD2 3.77Å; F86-F98 HydrophobicContact CZ-CD2 3.77Å; F86-F98 AromaticContact CZ-CE2 3.91Å; F86-F98 HydrophobicContact CZ-CE2 3.91Å; F86-F98 HydrophobicContact CZ-CG 4.24Å; F86-F98 HydrophobicContact CZ-CZ 4.48Å; F96-F98 AromaticContact CE1-CD1 3.64Å; F96-F98 HydrophobicContact CE1-CD1 3.64Å; F96-F98 HydrophobicContact CE1-CE1 4.17Å; F96-F98 HydrophobicContact CZ-CB 4.37Å; F96-F98 AromaticContact CZ-CD1 3.77Å; F96-F98 HydrophobicContact CZ-CD1 3.77Å; F98-L100 HydrophobicContact CD2-CD2 4.01Å; F98-L100 HydrophobicContact CD2-CG 4.33Å; F98-L100 HydrophobicContact CE2-CD2 4.18Å; F98-L100 HydrophobicContact CE2-CG 4.25Å; F98-F115 HydrophobicContact CD1-CB 3.87Å; F98-F115 HydrophobicContact CD2-CB 4.06Å; F98-F115 AromaticContact CD2-CD2 3.91Å; F98-F115 HydrophobicContact CD2-CD2 3.91Å; F98-F115 HydrophobicContact CD2-CG 4.17Å; F98-F115 HydrophobicContact CE1-CB 3.5Å; F98-F115 VanDerWaalsContact CE1-CB 3.5Å; F98-F115 HydrophobicContact CE1-CD1 4.45Å; F98-F115 HydrophobicContact CE1-CG 4.02Å; F98-F115 HydrophobicContact CE2-CB 3.7Å; F98-F115 HydrophobicContact CE2-CD1 4.07Å; F98-F115 AromaticContact CE2-CD2 3.34Å; F98-F115 HydrophobicContact CE2-CD2 3.34Å; F98-F115 AromaticContact CE2-CE2 3.92Å; F98-F115 HydrophobicContact CE2-CE2 3.92Å; F98-F115 AromaticContact CE2-CG 3.44Å; F98-F115 HydrophobicContact CE2-CG 3.44Å; F98-F115 VanDerWaalsContact CE2-CG 3.44Å; F98-F115 HydrophobicContact CE2-CZ 4.49Å; F98-F115 HydrophobicContact CG-CB 4.14Å; F98-F115 HydrophobicContact CZ-CB 3.39Å; F98-F115 AromaticContact CZ-CD1 3.67Å; F98-F115 HydrophobicContact CZ-CD1 3.67Å; F98-F115 AromaticContact CZ-CD2 3.8Å; F98-F115 HydrophobicContact CZ-CD2 3.8Å; F98-F115 HydrophobicContact CZ-CE1 4.36Å; F98-F115 HydrophobicContact CZ-CE2 4.48Å; F98-F115 AromaticContact CZ-CG 3.35Å; F98-F115 HydrophobicContact CZ-CG 3.35Å; F98-F115 PolarHBondContact N-O 3.2Å; F98-F115 PolarHBondContact O-N 3.35Å; F98-L133 HydrophobicContact CD1-CD1 4.13Å; F98-L133 HydrophobicContact CE1-CD1 3.82Å; F98-L133 HydrophobicContact CE1-CD2 4.01Å; F98-L133 HydrophobicContact CZ-CD2 4.45Å; F98-L144 HydrophobicContact CE1-CD2 4.24Å; F98-I146 HydrophobicContact CE2-CD1 3.76Å; F98-I146 HydrophobicContact CZ-CD1 3.59Å; F98-T168 CarbonylContact C-O 3.54Å; F98-T168 WeakPolarHBondContact CA-O 3.5Å; F98-T168 VanDerWaalsContact CB-O 3.3Å; F98-T168 WeakPolarHBondContact CB-O 3.18Å; F98-V169 HydrophobicContact CB-CG2 4.38Å |
| 99 | D | 91.5 | Very high | 75.5 | Confident | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.3 | 178.5 | -64.3 | -35.7 | 0 | 0 | 0 | 110.6 | I112 F113 T114 T168 Y170 | D99-I112 HydrophobicContact CB-CG2 4.27Å; D99-F113 CarbonylContact C-O 3.53Å; D99-F113 WeakPolarHBondContact CA-O 3.1Å; D99-T114 WeakPolarHBondContact OD1-CA 3.39Å; D99-T114 WeakPolarHBondContact OD1-CB 3.44Å; D99-T114 VanDerWaalsContact OD1-CG2 3.22Å; D99-T114 WeakPolarHBondContact OD1-CG2 3.48Å; D99-T114 PolarHBondContact OD1-OG1 2.74Å; D99-T168 PolarHBondContact N-O 2.84Å; D99-T168 PolarHBondContact O-N 2.83Å; D99-Y170 HydrophobicContact CB-CE2 4.32Å; D99-Y170 WeakPolarHBondContact OD2-CE2 3.34Å; D99-Y170 VanDerWaalsContact OD2-CZ 3.3Å; D99-Y170 PolarHBondContact OD2-OH 2.92Å |
| 100 | L | 88.6 | Confident | 74.6 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 108.3 | 167.5 | -51.9 | -175.4 | 0 | 0 | 0 | 108.8 | L84 F98 F113 F115 L148 L164 I167 | L84-L100 HydrophobicContact CD2-CD1 3.97Å; L84-L100 HydrophobicContact CD2-CD2 3.6Å; L84-L100 HydrophobicContact CD2-CG 4.48Å; F98-L100 HydrophobicContact CD2-CD2 4.01Å; F98-L100 HydrophobicContact CD2-CG 4.33Å; F98-L100 HydrophobicContact CE2-CD2 4.18Å; F98-L100 HydrophobicContact CE2-CG 4.25Å; L100-F113 HydrophobicContact CB-CB 4.29Å; L100-F113 PolarHBondContact N-O 2.78Å; L100-F113 PolarHBondContact O-N 3.22Å; L100-F115 HydrophobicContact CD1-CD2 4.49Å; L100-F115 HydrophobicContact CD1-CE2 3.61Å; L100-F115 HydrophobicContact CD1-CZ 4.14Å; L100-F115 HydrophobicContact CG-CD2 4.25Å; L100-F115 HydrophobicContact CG-CE2 3.78Å; L100-L148 HydrophobicContact CD1-CD2 3.7Å; L100-L164 HydrophobicContact CB-CD1 4.11Å; L100-I167 HydrophobicContact CD2-CB 4.36Å; L100-I167 HydrophobicContact CD2-CG1 4.02Å; L100-I167 HydrophobicContact CD2-CG2 3.88Å |
| 101 | N | 76.2 | Confident | 74 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 16% | 0.16 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.8 | -173.1 | -69.5 | -24.3 | 0 | 0 | 0 | 111.2 | I112 L164 K165 T166 | N101-I112 WeakPolarHBondContact OD1-CG1 3.41Å; N101-I112 WeakPolarHBondContact OD1-CG2 3.39Å; N101-L164 WeakPolarHBondContact O-CD1 3.48Å; N101-K165 WeakPolarHBondContact O-CB 3.39Å; N101-K165 PolarHBondContact O-N 2.88Å; N101-T166 WeakPolarHBondContact CB-OG1 3.37Å; N101-T166 PolarHBondContact N-O 3.08Å; N101-T166 PolarHBondContact ND2-OG1 3.34Å; N101-T166 PolarHBondContact O-N 2.96Å |
| 102 | R | 62.3 | Low | 73.9 | Confident | 42 Ų | 42 | 72.4 Ų | 72.4 | 16% | 0.158 | 35% | 0.345 | C | S | . | . | trans | 99.3 | 117.9 | 170.4 | -178 | -168.1 | 172.8 | -169.3 | 31.5 | 117 | E74 P110 L111 K163 L164 K165 | E74-R102 IonicContact OE1-CZ 2.66Å; E74-R102 VanDerWaalsContact OE1-CZ 3.28Å; E74-R102 IonicContact OE1-NH1 2.71Å; E74-R102 PolarHBondContact OE1-NH1 2.79Å; E74-R102 IonicContact OE1-NH2 3.99Å; E74-R102 PolarHBondContact OE1-NH2 2.8Å; E74-R102 IonicContact OE2-CZ 3.93Å; E74-R102 IonicContact OE2-NH1 2.87Å; E74-R102 PolarHBondContact OE2-NH1 3.31Å; E74-R102 IonicContact OE2-NH2 2.67Å; E74-R102 PolarHBondContact OE2-NH2 2.62Å; R102-P110 HydrophobicContact CB-CB 4.47Å; R102-L111 WeakPolarHBondContact CA-O 3.41Å; R102-L111 PolarHBondContact N-O 3.29Å; R102-K163 WeakPolarHBondContact CD-O 3.18Å; R102-K163 WeakPolarHBondContact CG-O 3.27Å; R102-K163 PolarHBondContact NE-O 2.83Å; R102-L164 PolarHBondContact NH1-O 3.46Å; R102-K165 HydrophobicContact CB-CB 3.58Å; R102-K165 HydrophobicContact CG-CB 4.23Å | ||
| 103 | F | 59.5 | Low | 74.1 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 7% | 0.066 | 32% | 0.318 | C | S | . | . | trans | -130.6 | 87.7 | 149.7 | -48.9 | -88.9 | 0 | 0 | 0 | 104.5 | T105 L111 F113 I152 L161 | F103-T105 PolarHBondContact O-N 2.9Å; F103-L111 HydrophobicContact CB-CB 4.18Å; F103-L111 HydrophobicContact CB-CD2 4.32Å; F103-L111 HydrophobicContact CD2-CB 3.94Å; F103-L111 HydrophobicContact CD2-CD2 4.05Å; F103-L111 HydrophobicContact CD2-CG 3.92Å; F103-L111 WeakPolarHBondContact CD2-O 3.37Å; F103-L111 HydrophobicContact CG-CD2 4.37Å; F103-L111 PolarHBondContact N-O 2.81Å; F103-F113 AromaticContact CD2-CD2 3.74Å; F103-F113 HydrophobicContact CD2-CD2 3.74Å; F103-F113 AromaticContact CD2-CE2 3.5Å; F103-F113 HydrophobicContact CD2-CE2 3.5Å; F103-F113 VanDerWaalsContact CD2-CE2 3.5Å; F103-F113 HydrophobicContact CE1-CE2 4.5Å; F103-F113 AromaticContact CE2-CD2 3.16Å; F103-F113 HydrophobicContact CE2-CD2 3.16Å; F103-F113 AromaticContact CE2-CE2 3.3Å; F103-F113 HydrophobicContact CE2-CE2 3.3Å; F103-F113 HydrophobicContact CE2-CG 4.14Å; F103-F113 HydrophobicContact CE2-CZ 4.36Å; F103-F113 HydrophobicContact CG-CE2 4.27Å; F103-F113 AromaticContact CZ-CD2 3.83Å; F103-F113 HydrophobicContact CZ-CD2 3.83Å; F103-F113 AromaticContact CZ-CE2 3.84Å; F103-F113 HydrophobicContact CZ-CE2 3.84Å; F103-I152 HydrophobicContact CD1-CD1 3.64Å; F103-I152 HydrophobicContact CE1-CD1 3.34Å; F103-I152 HydrophobicContact CE1-CG1 4.39Å; F103-I152 HydrophobicContact CZ-CD1 4.23Å; F103-L161 HydrophobicContact CD1-CD2 3.68Å; F103-L161 HydrophobicContact CD1-CG 3.75Å; F103-L161 HydrophobicContact CE1-CD1 4.41Å; F103-L161 HydrophobicContact CE1-CD2 3.48Å; F103-L161 VanDerWaalsContact CE1-CD2 3.48Å; F103-L161 HydrophobicContact CE1-CG 3.63Å | ||
| 104 | S | 47.9 | Very low | 74.8 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | trans | -84.9 | 104.3 | -173.2 | -161.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 105 | T | 48.3 | Very low | 75.2 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | trans | -83.9 | -171.5 | 145 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | F103 E107 N159 | F103-T105 PolarHBondContact O-N 2.9Å; T105-E107 PolarHBondContact O-N 3.3Å; T105-E107 VanDerWaalsContact O-N 3.1Å; T105-N159 HydrophobicContact CG2-CB 3.52Å; T105-N159 WeakPolarHBondContact CG2-OD1 3.29Å | ||
| 106 | N | 52.4 | Low | 75.5 | Confident | 165 Ų | 165 | 53.4 Ų | 53.4 | 88% | 0.882 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -81 | 19.1 | -169.3 | -59.9 | 2 | 0 | 0 | 0 | 113.4 | ||
| 107 | E | 54.9 | Low | 75.4 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -93 | 147.1 | 176.8 | -71.2 | -172.8 | -133.5 | 0 | 0 | 111.6 | T105 R109 F127 | T105-E107 PolarHBondContact O-N 3.3Å; T105-E107 VanDerWaalsContact O-N 3.1Å; E107-R109 PolarHBondContact O-N 3.3Å; E107-F127 WeakPolarHBondContact OE2-CE1 3.43Å |
| 108 | R | 60.3 | Low | 75.2 | Confident | 260 Ų | 260 | 58.4 Ų | 58.4 | 98% | 0.981 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -65.2 | 5.4 | -176.1 | -67.7 | 179.5 | 174 | 160.4 | -3.7 | 115.4 | ||
| 109 | R | 65.2 | Low | 75 | Confident | 166 Ų | 166 | 59.3 Ų | 59.3 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -138 | 117.4 | -174.2 | -67.5 | -178.6 | -179.4 | -174.9 | 1.5 | 110 | E107 F127 | E107-R109 PolarHBondContact O-N 3.3Å; R109-F127 HydrophobicContact CB-CD1 3.72Å; R109-F127 HydrophobicContact CB-CD2 4.11Å; R109-F127 HydrophobicContact CB-CE1 3.78Å; R109-F127 HydrophobicContact CB-CE2 4.15Å; R109-F127 HydrophobicContact CB-CG 3.89Å; R109-F127 HydrophobicContact CB-CZ 3.98Å; R109-F127 VanDerWaalsContact CD-CE2 3.5Å; R109-F127 HydrophobicContact CG-CE2 4.4Å; R109-F127 HydrophobicContact CG-CZ 4.47Å |
| 110 | P | 72.9 | Confident | 74.6 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | trans | -70.4 | 140.9 | 177.9 | 29.9 | -33.9 | 0 | 0 | 0 | 110.3 | R102 | R102-P110 HydrophobicContact CB-CB 4.47Š| ||
| 111 | L | 79.2 | Confident | 74.4 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | trans | -67.9 | 132.6 | 165.5 | 178.9 | 61.6 | 0 | 0 | 0 | 110 | R102 F103 F113 V129 V157 | R102-L111 WeakPolarHBondContact CA-O 3.41Å; R102-L111 PolarHBondContact N-O 3.29Å; F103-L111 HydrophobicContact CB-CB 4.18Å; F103-L111 HydrophobicContact CB-CD2 4.32Å; F103-L111 HydrophobicContact CD2-CB 3.94Å; F103-L111 HydrophobicContact CD2-CD2 4.05Å; F103-L111 HydrophobicContact CD2-CG 3.92Å; F103-L111 WeakPolarHBondContact CD2-O 3.37Å; F103-L111 HydrophobicContact CG-CD2 4.37Å; F103-L111 PolarHBondContact N-O 2.81Å; L111-F113 HydrophobicContact CD2-CD2 4.49Å; L111-F113 HydrophobicContact CD2-CE2 3.63Å; L111-F113 HydrophobicContact CD2-CZ 4.39Å; L111-F113 HydrophobicContact CG-CD2 4.19Å; L111-F113 HydrophobicContact CG-CE2 3.8Å; L111-V129 HydrophobicContact CD1-CG2 4.16Å; L111-V157 HydrophobicContact CD2-CG1 3.44Å; L111-V157 VanDerWaalsContact CD2-CG1 3.44Å; L111-V157 HydrophobicContact CD2-CG2 4.45Å | ||
| 112 | I | 85.1 | Confident | 75 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 139.6 | 179.1 | -63.1 | 175.3 | 0 | 0 | 0 | 109 | D99 N101 F127 T128 V129 | D99-I112 HydrophobicContact CB-CG2 4.27Å; N101-I112 WeakPolarHBondContact OD1-CG1 3.41Å; N101-I112 WeakPolarHBondContact OD1-CG2 3.39Å; I112-F127 PolarHBondContact N-O 3.44Å; I112-T128 HydrophobicContact CB-CG2 4.48Å; I112-T128 CarbonylContact O-C 3.6Å; I112-T128 VanDerWaalsContact O-CA 3.31Å; I112-T128 WeakPolarHBondContact O-CA 3.34Å; I112-V129 PolarHBondContact O-N 2.87Å |
| 113 | F | 88.3 | Confident | 76.1 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 106 | 169.8 | -76.7 | -126.8 | 0 | 0 | 0 | 109.1 | D99 L100 F103 L111 F115 V129 F151 I152 L155 V157 | D99-F113 CarbonylContact C-O 3.53Å; D99-F113 WeakPolarHBondContact CA-O 3.1Å; L100-F113 HydrophobicContact CB-CB 4.29Å; L100-F113 PolarHBondContact N-O 2.78Å; L100-F113 PolarHBondContact O-N 3.22Å; F103-F113 AromaticContact CD2-CD2 3.74Å; F103-F113 HydrophobicContact CD2-CD2 3.74Å; F103-F113 AromaticContact CD2-CE2 3.5Å; F103-F113 HydrophobicContact CD2-CE2 3.5Å; F103-F113 VanDerWaalsContact CD2-CE2 3.5Å; F103-F113 HydrophobicContact CE1-CE2 4.5Å; F103-F113 AromaticContact CE2-CD2 3.16Å; F103-F113 HydrophobicContact CE2-CD2 3.16Å; F103-F113 AromaticContact CE2-CE2 3.3Å; F103-F113 HydrophobicContact CE2-CE2 3.3Å; F103-F113 HydrophobicContact CE2-CG 4.14Å; F103-F113 HydrophobicContact CE2-CZ 4.36Å; F103-F113 HydrophobicContact CG-CE2 4.27Å; F103-F113 AromaticContact CZ-CD2 3.83Å; F103-F113 HydrophobicContact CZ-CD2 3.83Å; F103-F113 AromaticContact CZ-CE2 3.84Å; F103-F113 HydrophobicContact CZ-CE2 3.84Å; L111-F113 HydrophobicContact CD2-CD2 4.49Å; L111-F113 HydrophobicContact CD2-CE2 3.63Å; L111-F113 HydrophobicContact CD2-CZ 4.39Å; L111-F113 HydrophobicContact CG-CD2 4.19Å; L111-F113 HydrophobicContact CG-CE2 3.8Å; F113-F115 HydrophobicContact CB-CD2 4.32Å; F113-F115 HydrophobicContact CB-CE2 3.68Å; F113-F115 HydrophobicContact CB-CZ 4.47Å; F113-F115 WeakPolarHBondContact O-CD2 3.2Å; F113-V129 CarbonylContact C-O 3.59Å; F113-V129 WeakPolarHBondContact CA-O 3.38Å; F113-V129 HydrophobicContact CB-CB 4.45Å; F113-V129 HydrophobicContact CD1-CB 3.75Å; F113-V129 HydrophobicContact CD1-CG1 3.86Å; F113-V129 HydrophobicContact CD1-CG2 4.09Å; F113-V129 HydrophobicContact CD2-CB 4.08Å; F113-V129 HydrophobicContact CD2-CG2 3.96Å; F113-V129 HydrophobicContact CE1-CB 3.98Å; F113-V129 HydrophobicContact CE1-CG1 3.98Å; F113-V129 HydrophobicContact CE1-CG2 3.83Å; F113-V129 HydrophobicContact CE2-CB 4.31Å; F113-V129 HydrophobicContact CE2-CG2 3.73Å; F113-V129 HydrophobicContact CG-CB 3.81Å; F113-V129 HydrophobicContact CG-CG1 4.41Å; F113-V129 HydrophobicContact CG-CG2 4.16Å; F113-V129 HydrophobicContact CZ-CB 4.26Å; F113-V129 HydrophobicContact CZ-CG2 3.65Å; F113-F151 HydrophobicContact CD1-CD1 4.02Å; F113-F151 AromaticContact CD1-CE1 3.98Å; F113-F151 HydrophobicContact CD1-CE1 3.98Å; F113-F151 AromaticContact CE1-CD1 3.8Å; F113-F151 HydrophobicContact CE1-CD1 3.8Å; F113-F151 HydrophobicContact CE1-CE1 4.05Å; F113-I152 HydrophobicContact CE1-CG1 4.36Å; F113-I152 HydrophobicContact CZ-CG1 3.96Å; F113-L155 HydrophobicContact CE1-CD1 3.71Å; F113-L155 HydrophobicContact CZ-CD1 4.39Å; F113-V157 HydrophobicContact CZ-CG2 4.47Å |
| 114 | T | 90.9 | Very high | 77.4 | Confident | 19 Ų | 19 | 73.1 Ų | 73.1 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.7 | 178.4 | -65.9 | 0 | 0 | 0 | 0 | 109.9 | D99 I119 V129 M130 V131 | D99-T114 WeakPolarHBondContact OD1-CA 3.39Å; D99-T114 WeakPolarHBondContact OD1-CB 3.44Å; D99-T114 VanDerWaalsContact OD1-CG2 3.22Å; D99-T114 WeakPolarHBondContact OD1-CG2 3.48Å; D99-T114 PolarHBondContact OD1-OG1 2.74Å; T114-I119 HydrophobicContact CG2-CD1 4.05Å; T114-I119 WeakPolarHBondContact O-CD1 3.3Å; T114-V129 PolarHBondContact N-O 2.82Å; T114-M130 HydrophobicContact CG2-CE 4.27Å; T114-M130 HydrophobicContact CG2-SD 4.23Å; T114-V131 PolarHBondContact O-N 2.8Å |
| 115 | F | 93.1 | Very high | 79 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.1 | 173.4 | -64.6 | -105.1 | 0 | 0 | 0 | 108.6 | K97 F98 L100 F113 V131 L133 I146 F151 L208 | K97-F115 CarbonylContact C-O 3.51Å; K97-F115 WeakPolarHBondContact CA-O 3.23Å; K97-F115 VanDerWaalsContact CB-O 3.26Å; K97-F115 WeakPolarHBondContact CB-O 3.25Å; F98-F115 HydrophobicContact CD1-CB 3.87Å; F98-F115 HydrophobicContact CD2-CB 4.06Å; F98-F115 AromaticContact CD2-CD2 3.91Å; F98-F115 HydrophobicContact CD2-CD2 3.91Å; F98-F115 HydrophobicContact CD2-CG 4.17Å; F98-F115 HydrophobicContact CE1-CB 3.5Å; F98-F115 VanDerWaalsContact CE1-CB 3.5Å; F98-F115 HydrophobicContact CE1-CD1 4.45Å; F98-F115 HydrophobicContact CE1-CG 4.02Å; F98-F115 HydrophobicContact CE2-CB 3.7Å; F98-F115 HydrophobicContact CE2-CD1 4.07Å; F98-F115 AromaticContact CE2-CD2 3.34Å; F98-F115 HydrophobicContact CE2-CD2 3.34Å; F98-F115 AromaticContact CE2-CE2 3.92Å; F98-F115 HydrophobicContact CE2-CE2 3.92Å; F98-F115 AromaticContact CE2-CG 3.44Å; F98-F115 HydrophobicContact CE2-CG 3.44Å; F98-F115 VanDerWaalsContact CE2-CG 3.44Å; F98-F115 HydrophobicContact CE2-CZ 4.49Å; F98-F115 HydrophobicContact CG-CB 4.14Å; F98-F115 HydrophobicContact CZ-CB 3.39Å; F98-F115 AromaticContact CZ-CD1 3.67Å; F98-F115 HydrophobicContact CZ-CD1 3.67Å; F98-F115 AromaticContact CZ-CD2 3.8Å; F98-F115 HydrophobicContact CZ-CD2 3.8Å; F98-F115 HydrophobicContact CZ-CE1 4.36Å; F98-F115 HydrophobicContact CZ-CE2 4.48Å; F98-F115 AromaticContact CZ-CG 3.35Å; F98-F115 HydrophobicContact CZ-CG 3.35Å; F98-F115 PolarHBondContact N-O 3.2Å; F98-F115 PolarHBondContact O-N 3.35Å; L100-F115 HydrophobicContact CD1-CD2 4.49Å; L100-F115 HydrophobicContact CD1-CE2 3.61Å; L100-F115 HydrophobicContact CD1-CZ 4.14Å; L100-F115 HydrophobicContact CG-CD2 4.25Å; L100-F115 HydrophobicContact CG-CE2 3.78Å; F113-F115 HydrophobicContact CB-CD2 4.32Å; F113-F115 HydrophobicContact CB-CE2 3.68Å; F113-F115 HydrophobicContact CB-CZ 4.47Å; F113-F115 WeakPolarHBondContact O-CD2 3.2Å; F115-V131 WeakPolarHBondContact CA-O 3.2Å; F115-V131 HydrophobicContact CB-CB 4.48Å; F115-V131 HydrophobicContact CD1-CB 3.63Å; F115-V131 HydrophobicContact CD1-CG1 3.47Å; F115-V131 VanDerWaalsContact CD1-CG1 3.47Å; F115-V131 HydrophobicContact CD1-CG2 4.09Å; F115-V131 HydrophobicContact CE1-CB 3.99Å; F115-V131 HydrophobicContact CE1-CG1 3.7Å; F115-V131 HydrophobicContact CE1-CG2 3.97Å; F115-V131 HydrophobicContact CG-CB 3.99Å; F115-V131 HydrophobicContact CG-CG1 4.32Å; F115-V131 HydrophobicContact CG-CG2 4.41Å; F115-V131 HydrophobicContact CZ-CG2 4.18Å; F115-L133 HydrophobicContact CB-CD1 4.04Å; F115-L133 HydrophobicContact CB-CD2 3.97Å; F115-L133 HydrophobicContact CB-CG 4Å; F115-L133 HydrophobicContact CD1-CD2 4.12Å; F115-I146 HydrophobicContact CE1-CD1 4.25Å; F115-I146 HydrophobicContact CZ-CD1 4.38Å; F115-F151 HydrophobicContact CE1-CE1 4.23Å; F115-F151 HydrophobicContact CE1-CE2 4.06Å; F115-F151 AromaticContact CE1-CZ 3.82Å; F115-F151 HydrophobicContact CE1-CZ 3.82Å; F115-F151 HydrophobicContact CZ-CD1 4.49Å; F115-F151 HydrophobicContact CZ-CE1 4.11Å; F115-F151 HydrophobicContact CZ-CZ 4.16Å; F115-L208 HydrophobicContact CD1-CD2 3.8Å; F115-L208 HydrophobicContact CE1-CD2 3.86Å |
| 116 | S | 92.3 | Very high | 80.4 | Confident | 10 Ų | 10 | 83.7 Ų | 83.7 | 7% | 0.07 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 148.8 | 179.2 | -178.6 | 0 | 0 | 0 | 0 | 113.1 | F96 K118 I119 V131 L133 | F96-S116 WeakPolarHBondContact O-CA 3.44Å; F96-S116 PolarHBondContact O-OG 3.23Å; S116-K118 VanDerWaalsContact C-N 3.28Å; S116-K118 PolarHBondContact OG-N 3.08Å; S116-K118 VanDerWaalsContact OG-N 3.16Å; S116-I119 PolarHBondContact O-N 3.02Å; S116-V131 PolarHBondContact N-O 3.11Å; S116-L133 PolarHBondContact O-N 3.19Å |
| 117 | T | 89.6 | Confident | 81.7 | Confident | 20 Ų | 20 | 78 Ų | 78 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -67.5 | -27.3 | 170.5 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | D95 F96 I119 L133 R138 | D95-T117 VanDerWaalsContact CA-OG1 3.3Å; D95-T117 WeakPolarHBondContact CA-OG1 3.19Å; D95-T117 WeakPolarHBondContact OD1-CB 3.5Å; D95-T117 PolarHBondContact OD1-OG1 2.94Å; F96-T117 HydrophobicContact CB-CG2 4.26Å; F96-T117 PolarHBondContact N-OG1 3.06Å; F96-T117 PolarHBondContact O-N 2.88Å; F96-T117 PolarHBondContact O-OG1 2.98Å; T117-I119 VanDerWaalsContact C-N 3.28Å; T117-I119 PolarHBondContact O-N 3.34Å; T117-L133 HydrophobicContact CG2-CB 4.04Å; T117-R138 VanDerWaalsContact CB-NH2 3.34Å |
| 118 | K | 87.2 | Confident | 83.2 | Confident | 153 Ų | 153 | 75 Ų | 75 | 67% | 0.665 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -70.1 | -25.9 | 178.4 | -164.8 | 166 | -173.9 | 162.9 | 0 | 112.9 | D95 S116 Q120 | D95-K118 PolarHBondContact OD1-N 3.11Å; D95-K118 WeakPolarHBondContact OD2-CB 3.27Å; D95-K118 WeakPolarHBondContact OD2-CD 3.39Å; D95-K118 WeakPolarHBondContact OD2-CG 3.43Å; S116-K118 VanDerWaalsContact C-N 3.28Å; S116-K118 PolarHBondContact OG-N 3.08Å; S116-K118 VanDerWaalsContact OG-N 3.16Å; K118-Q120 PolarHBondContact O-N 3.36Å |
| 119 | I | 88.5 | Confident | 84.5 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | trans | -75.3 | 123.4 | 178.6 | -62.4 | 162.5 | 0 | 0 | 0 | 108.1 | T114 S116 T117 S121 M130 P132 | T114-I119 HydrophobicContact CG2-CD1 4.05Å; T114-I119 WeakPolarHBondContact O-CD1 3.3Å; S116-I119 PolarHBondContact O-N 3.02Å; T117-I119 VanDerWaalsContact C-N 3.28Å; T117-I119 PolarHBondContact O-N 3.34Å; I119-S121 WeakPolarHBondContact CG2-O 3.5Å; I119-M130 HydrophobicContact CD1-CB 3.93Å; I119-M130 HydrophobicContact CD1-CE 3.65Å; I119-M130 HydrophobicContact CD1-SD 4.34Å; I119-M130 HydrophobicContact CG1-CB 4.5Å; I119-M130 HydrophobicContact CG1-CE 3.94Å; I119-M130 HydrophobicContact CG2-CB 4.25Å; I119-P132 HydrophobicContact CB-CB 4.39Å; I119-P132 HydrophobicContact CG2-CB 4.03Å; I119-P132 WeakPolarHBondContact O-CA 3.2Å; I119-P132 WeakPolarHBondContact O-CB 3.4Å | ||
| 120 | Q | 84.7 | Confident | 85.7 | Confident | 145 Ų | 145 | 56.9 Ų | 56.9 | 68% | 0.678 | 29% | 0.289 | S | S | * | . | trans | -93 | -22.5 | 178.3 | -61.3 | -170.9 | 13.5 | 0 | 0 | 113.3 | K118 R220 | K118-Q120 PolarHBondContact O-N 3.36Å; Q120-R220 VanDerWaalsContact O-CZ 3.24Å; Q120-R220 PolarHBondContact O-NH1 3.41Å; Q120-R220 PolarHBondContact O-NH2 3.3Å | ||
| 121 | S | 84.4 | Confident | 86.6 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -144.4 | 144.1 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | I119 S123 E217 | I119-S121 WeakPolarHBondContact CG2-O 3.5Å; S121-S123 PolarHBondContact O-N 2.92Å; S121-E217 WeakPolarHBondContact CA-OE1 3.14Å |
| 122 | L | 88.2 | Confident | 87.2 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | trans | -61.6 | 115.9 | 173.4 | 177.7 | 68.4 | 0 | 0 | 0 | 109.8 | V129 M130 V131 L155 V210 I213 R214 E217 | L122-V129 HydrophobicContact CD1-CG1 4.32Å; L122-M130 WeakPolarHBondContact CA-O 3.36Å; L122-V131 HydrophobicContact CD1-CG2 4.34Å; L122-L155 HydrophobicContact CD1-CD2 3.85Å; L122-L155 HydrophobicContact CD2-CD2 3.64Å; L122-L155 HydrophobicContact CG-CD2 4.12Å; L122-V210 HydrophobicContact CD2-CG1 4.12Å; L122-I213 HydrophobicContact CB-CG2 4.28Å; L122-R214 HydrophobicContact CD2-CG 4.31Å; L122-E217 WeakPolarHBondContact CB-OE1 3.41Å; L122-E217 PolarHBondContact N-OE1 3.48Å | ||
| 123 | S | 85.9 | Confident | 87.4 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139.8 | 178 | 50 | 0 | 0 | 0 | 0 | 111.7 | S121 M130 | S121-S123 PolarHBondContact O-N 2.92Å; S123-M130 PolarHBondContact N-O 2.82Å; S123-M130 VanDerWaalsContact N-O 3.09Å; S123-M130 PolarHBondContact O-N 2.81Å |
| 124 | I | 85.4 | Confident | 87.1 | Confident | 96 Ų | 96 | 52.8 Ų | 52.8 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 113.9 | -179.2 | -57 | 176.5 | 0 | 0 | 0 | 107.8 | V129 L155 | I124-V129 HydrophobicContact CG1-CG1 4.45Å; I124-V129 HydrophobicContact CG1-CG2 4.4Å; I124-V129 HydrophobicContact CG2-CG2 4.45Å; I124-L155 HydrophobicContact CD1-CB 4.22Å; I124-L155 HydrophobicContact CD1-CD2 4.39Å |
| 125 | K | 83.1 | Confident | 86.7 | Confident | 135 Ų | 135 | 53 Ų | 53 | 59% | 0.587 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 160.8 | 167.6 | -61.3 | -178.1 | 178.8 | -177.6 | 0 | 108.8 | F127 T128 | K125-F127 PolarHBondContact O-N 2.9Å; K125-T128 PolarHBondContact N-O 3.29Å; K125-T128 PolarHBondContact O-N 2.96Å |
| 126 | K | 78.1 | Confident | 86.4 | Confident | 172 Ų | 172 | 53.7 Ų | 53.7 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.9 | -37.1 | -170.5 | -170.2 | 174 | 180 | 175.5 | 0 | 115.5 | ||
| 127 | F | 79.3 | Confident | 86.2 | Confident | 45 Ų | 45 | 57 Ų | 57 | 20% | 0.197 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 17.9 | 176.7 | -54.6 | -71.2 | 0 | 0 | 0 | 113.3 | E107 R109 I112 K125 | E107-F127 WeakPolarHBondContact OE2-CE1 3.43Å; R109-F127 HydrophobicContact CB-CD1 3.72Å; R109-F127 HydrophobicContact CB-CD2 4.11Å; R109-F127 HydrophobicContact CB-CE1 3.78Å; R109-F127 HydrophobicContact CB-CE2 4.15Å; R109-F127 HydrophobicContact CB-CG 3.89Å; R109-F127 HydrophobicContact CB-CZ 3.98Å; R109-F127 VanDerWaalsContact CD-CE2 3.5Å; R109-F127 HydrophobicContact CG-CE2 4.4Å; R109-F127 HydrophobicContact CG-CZ 4.47Å; I112-F127 PolarHBondContact N-O 3.44Å; K125-F127 PolarHBondContact O-N 2.9Å |
| 128 | T | 85.3 | Confident | 86.2 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 116.8 | -175.6 | -39.8 | 0 | 0 | 0 | 0 | 112.2 | I112 K125 M130 | I112-T128 HydrophobicContact CB-CG2 4.48Å; I112-T128 CarbonylContact O-C 3.6Å; I112-T128 VanDerWaalsContact O-CA 3.31Å; I112-T128 WeakPolarHBondContact O-CA 3.34Å; K125-T128 PolarHBondContact N-O 3.29Å; K125-T128 PolarHBondContact O-N 2.96Å; T128-M130 HydrophobicContact CG2-CG 4.49Å; T128-M130 HydrophobicContact CG2-SD 3.67Å |
| 129 | V | 88.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.6 | 166.4 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | L111 I112 F113 T114 L122 I124 V131 L155 | L111-V129 HydrophobicContact CD1-CG2 4.16Å; I112-V129 PolarHBondContact O-N 2.87Å; F113-V129 CarbonylContact C-O 3.59Å; F113-V129 WeakPolarHBondContact CA-O 3.38Å; F113-V129 HydrophobicContact CB-CB 4.45Å; F113-V129 HydrophobicContact CD1-CB 3.75Å; F113-V129 HydrophobicContact CD1-CG1 3.86Å; F113-V129 HydrophobicContact CD1-CG2 4.09Å; F113-V129 HydrophobicContact CD2-CB 4.08Å; F113-V129 HydrophobicContact CD2-CG2 3.96Å; F113-V129 HydrophobicContact CE1-CB 3.98Å; F113-V129 HydrophobicContact CE1-CG1 3.98Å; F113-V129 HydrophobicContact CE1-CG2 3.83Å; F113-V129 HydrophobicContact CE2-CB 4.31Å; F113-V129 HydrophobicContact CE2-CG2 3.73Å; F113-V129 HydrophobicContact CG-CB 3.81Å; F113-V129 HydrophobicContact CG-CG1 4.41Å; F113-V129 HydrophobicContact CG-CG2 4.16Å; F113-V129 HydrophobicContact CZ-CB 4.26Å; F113-V129 HydrophobicContact CZ-CG2 3.65Å; T114-V129 PolarHBondContact N-O 2.82Å; L122-V129 HydrophobicContact CD1-CG1 4.32Å; I124-V129 HydrophobicContact CG1-CG1 4.45Å; I124-V129 HydrophobicContact CG1-CG2 4.4Å; I124-V129 HydrophobicContact CG2-CG2 4.45Å; V129-V131 HydrophobicContact CG1-CG2 3.86Å; V129-L155 HydrophobicContact CG1-CD1 3.8Å |
| 130 | M | 91 | Very high | 86.2 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.2 | 176 | -58.5 | -62.5 | -77.4 | 0 | 0 | 108.4 | T114 I119 L122 S123 T128 | T114-M130 HydrophobicContact CG2-CE 4.27Å; T114-M130 HydrophobicContact CG2-SD 4.23Å; I119-M130 HydrophobicContact CD1-CB 3.93Å; I119-M130 HydrophobicContact CD1-CE 3.65Å; I119-M130 HydrophobicContact CD1-SD 4.34Å; I119-M130 HydrophobicContact CG1-CB 4.5Å; I119-M130 HydrophobicContact CG1-CE 3.94Å; I119-M130 HydrophobicContact CG2-CB 4.25Å; L122-M130 WeakPolarHBondContact CA-O 3.36Å; S123-M130 PolarHBondContact N-O 2.82Å; S123-M130 VanDerWaalsContact N-O 3.09Å; S123-M130 PolarHBondContact O-N 2.81Å; T128-M130 HydrophobicContact CG2-CG 4.49Å; T128-M130 HydrophobicContact CG2-SD 3.67Å |
| 131 | V | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123.9 | -175.2 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | T114 F115 S116 L122 V129 L133 F151 I213 | T114-V131 PolarHBondContact O-N 2.8Å; F115-V131 WeakPolarHBondContact CA-O 3.2Å; F115-V131 HydrophobicContact CB-CB 4.48Å; F115-V131 HydrophobicContact CD1-CB 3.63Å; F115-V131 HydrophobicContact CD1-CG1 3.47Å; F115-V131 VanDerWaalsContact CD1-CG1 3.47Å; F115-V131 HydrophobicContact CD1-CG2 4.09Å; F115-V131 HydrophobicContact CE1-CB 3.99Å; F115-V131 HydrophobicContact CE1-CG1 3.7Å; F115-V131 HydrophobicContact CE1-CG2 3.97Å; F115-V131 HydrophobicContact CG-CB 3.99Å; F115-V131 HydrophobicContact CG-CG1 4.32Å; F115-V131 HydrophobicContact CG-CG2 4.41Å; F115-V131 HydrophobicContact CZ-CG2 4.18Å; S116-V131 PolarHBondContact N-O 3.11Å; L122-V131 HydrophobicContact CD1-CG2 4.34Å; V129-V131 HydrophobicContact CG1-CG2 3.86Å; V131-L133 PolarHBondContact O-N 3.38Å; V131-F151 HydrophobicContact CB-CZ 4.33Å; V131-F151 HydrophobicContact CG1-CE2 4.43Å; V131-F151 HydrophobicContact CG1-CZ 3.65Å; V131-F151 HydrophobicContact CG2-CE1 3.67Å; V131-F151 HydrophobicContact CG2-CZ 3.67Å; V131-I213 HydrophobicContact CG1-CD1 3.74Å |
| 132 | P | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115.3 | 177.8 | 31.5 | -35.6 | 0 | 0 | 0 | 112.2 | I119 S134 I213 E217 | I119-P132 HydrophobicContact CB-CB 4.39Å; I119-P132 HydrophobicContact CG2-CB 4.03Å; I119-P132 WeakPolarHBondContact O-CA 3.2Å; I119-P132 WeakPolarHBondContact O-CB 3.4Å; P132-S134 PolarHBondContact O-N 2.9Å; P132-S134 VanDerWaalsContact O-N 3.16Å; P132-I213 HydrophobicContact CG-CG2 3.61Å; P132-E217 WeakPolarHBondContact CG-OE1 3.43Å |
| 133 | L | 89.5 | Confident | 87 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -76.4 | 10.2 | 170.7 | -65.8 | 176.1 | 0 | 0 | 0 | 113.4 | F96 F98 F115 S116 T117 V131 T135 V136 L208 | F96-L133 HydrophobicContact CD1-CD1 3.88Å; F96-L133 HydrophobicContact CE1-CD1 4.06Å; F98-L133 HydrophobicContact CD1-CD1 4.13Å; F98-L133 HydrophobicContact CE1-CD1 3.82Å; F98-L133 HydrophobicContact CE1-CD2 4.01Å; F98-L133 HydrophobicContact CZ-CD2 4.45Å; F115-L133 HydrophobicContact CB-CD1 4.04Å; F115-L133 HydrophobicContact CB-CD2 3.97Å; F115-L133 HydrophobicContact CB-CG 4Å; F115-L133 HydrophobicContact CD1-CD2 4.12Å; S116-L133 PolarHBondContact O-N 3.19Å; T117-L133 HydrophobicContact CG2-CB 4.04Å; V131-L133 PolarHBondContact O-N 3.38Å; L133-T135 PolarHBondContact O-N 3.02Å; L133-V136 HydrophobicContact CB-CG2 4.37Å; L133-V136 HydrophobicContact CD2-CG2 3.91Å; L133-V136 WeakPolarHBondContact O-CB 3.34Å; L133-V136 PolarHBondContact O-N 2.92Å; L133-L208 HydrophobicContact CD2-CD2 3.75Å |
| 134 | S | 83 | Confident | 87.2 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 38% | 0.378 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -53 | -12.6 | 177.1 | 66 | 0 | 0 | 0 | 0 | 116.2 | P132 R220 | P132-S134 PolarHBondContact O-N 2.9Å; P132-S134 VanDerWaalsContact O-N 3.16Å; S134-R220 PolarHBondContact OG-NH2 2.96Å |
| 135 | T | 82.5 | Confident | 87.5 | Confident | 24 Ų | 24 | 39.1 Ų | 39.1 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -96.2 | -13.2 | 178.1 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | L133 Q206 L208 I213 N216 | L133-T135 PolarHBondContact O-N 3.02Å; T135-Q206 PolarHBondContact O-NE2 2.9Å; T135-L208 WeakPolarHBondContact OG1-CD1 3.41Å; T135-I213 HydrophobicContact CG2-CG1 4.5Å; T135-N216 HydrophobicContact CG2-CB 3.57Å; T135-N216 WeakPolarHBondContact CG2-ND2 3.36Å |
| 136 | V | 86.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 32.7 Ų | 32.7 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -84.4 | 136.9 | -174 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | I90 L133 L142 L144 L208 | I90-V136 HydrophobicContact CD1-CG1 3.85Å; L133-V136 HydrophobicContact CB-CG2 4.37Å; L133-V136 HydrophobicContact CD2-CG2 3.91Å; L133-V136 WeakPolarHBondContact O-CB 3.34Å; L133-V136 PolarHBondContact O-N 2.92Å; V136-L142 HydrophobicContact CG1-CD1 3.41Å; V136-L142 VanDerWaalsContact CG1-CD1 3.41Å; V136-L144 HydrophobicContact CG1-CD1 4.26Å; V136-L144 HydrophobicContact CG2-CD1 3.97Å; V136-L208 HydrophobicContact CG2-CD1 4.26Å |
| 137 | L | 87.9 | Confident | 88.1 | Confident | 80 Ų | 80 | 24.8 Ų | 24.8 | 42% | 0.419 | 14% | 0.136 | S | C | . | . | trans | -66.7 | 156.6 | 179.2 | -62.6 | 172.2 | 0 | 0 | 0 | 111 | L142 I204 | L137-L142 HydrophobicContact CB-CD1 4.06Å; L137-L142 HydrophobicContact CB-CD2 3.96Å; L137-L142 HydrophobicContact CD1-CD2 4.28Å; L137-L142 WeakPolarHBondContact O-CD1 3.27Å; L137-I204 HydrophobicContact CD1-CD1 3.83Å; L137-I204 HydrophobicContact CD1-CG2 3.98Å | ||
| 138 | R | 88.6 | Confident | 88.2 | Confident | 75 Ų | 75 | 23.1 Ų | 23.1 | 28% | 0.283 | 13% | 0.129 | S | C | . | . | trans | -126.9 | 159.6 | 178.2 | -60.3 | -164.1 | -174.9 | -140.7 | 20.8 | 110.8 | I90 S91 N92 Q94 T117 V140 | I90-R138 HydrophobicContact CG2-CG 4.26Å; S91-R138 PolarHBondContact O-NH1 2.65Å; N92-R138 HydrophobicContact CB-CB 4.47Å; N92-R138 PolarHBondContact O-NH1 2.87Å; Q94-R138 PolarHBondContact O-NH1 2.85Å; T117-R138 VanDerWaalsContact CB-NH2 3.34Å; R138-V140 PolarHBondContact O-N 2.75Å | ||
| 139 | S | 86.9 | Confident | 87.8 | Confident | 65 Ų | 65 | 27.4 Ų | 27.4 | 46% | 0.455 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 56.8 | 24.3 | -176.7 | -64.3 | 0 | 0 | 0 | 0 | 115.5 | F89 I90 N92 | F89-S139 WeakPolarHBondContact CE2-O 3.46Å; F89-S139 VanDerWaalsContact CZ-CA 3.48Å; I90-S139 PolarHBondContact O-N 2.79Å; N92-S139 WeakPolarHBondContact CB-OG 3.4Å |
| 140 | V | 88.7 | Confident | 87.4 | Confident | 45 Ų | 45 | 28.9 Ų | 28.9 | 27% | 0.273 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -136.3 | 153 | 174.4 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | R138 L142 I204 | R138-V140 PolarHBondContact O-N 2.75Å; V140-L142 HydrophobicContact CB-CD2 4.28Å; V140-L142 HydrophobicContact CG1-CD2 4.47Å; V140-L142 PolarHBondContact O-N 3.22Å; V140-I204 HydrophobicContact CB-CD1 4.49Å; V140-I204 HydrophobicContact CG1-CD1 3.75Å; V140-I204 HydrophobicContact CG1-CG1 4.06Å |
| 141 | W | 91.3 | Very high | 86.9 | Confident | 15 Ų | 15 | 26.8 Ų | 26.8 | 6% | 0.057 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 119.6 | 170.6 | -79.5 | 102.9 | 0 | 0 | 0 | 110.7 | L53 V57 F89 Y174 I204 | L53-W141 HydrophobicContact CD1-CD2 3.74Å; L53-W141 HydrophobicContact CD1-CE3 3.73Å; L53-W141 HydrophobicContact CD1-CG 4.43Å; L53-W141 HydrophobicContact CD1-CH2 3.96Å; L53-W141 HydrophobicContact CD1-CZ2 3.96Å; L53-W141 HydrophobicContact CD1-CZ3 3.84Å; L53-W141 HydrophobicContact CD2-CB 4.42Å; L53-W141 HydrophobicContact CD2-CD2 4.13Å; L53-W141 HydrophobicContact CD2-CG 3.95Å; L53-W141 HydrophobicContact CG-CD2 3.98Å; L53-W141 HydrophobicContact CG-CE3 4.48Å; L53-W141 HydrophobicContact CG-CG 4.27Å; L53-W141 HydrophobicContact CG-CZ2 4.28Å; V57-W141 HydrophobicContact CB-CH2 3.99Å; V57-W141 HydrophobicContact CB-CZ2 4.5Å; V57-W141 HydrophobicContact CG1-CH2 3.67Å; V57-W141 HydrophobicContact CG1-CZ2 4.06Å; V57-W141 HydrophobicContact CG2-CH2 4.16Å; V57-W141 HydrophobicContact CG2-CZ2 4.26Å; F89-W141 HydrophobicContact CB-CD2 3.79Å; F89-W141 HydrophobicContact CB-CE3 3.83Å; F89-W141 HydrophobicContact CB-CG 4.43Å; F89-W141 HydrophobicContact CB-CH2 3.94Å; F89-W141 HydrophobicContact CB-CZ2 3.9Å; F89-W141 HydrophobicContact CB-CZ3 3.92Å; F89-W141 AromaticContact CD2-CD1 3.97Å; F89-W141 HydrophobicContact CD2-CD2 4.33Å; F89-W141 HydrophobicContact CD2-CG 4.2Å; F89-W141 AromaticContact CD2-NE1 3.94Å; W141-Y174 WeakPolarHBondContact CZ3-O 3.31Å; W141-I204 PolarHBondContact O-N 2.79Å; W141-I204 VanDerWaalsContact O-N 3.15Å |
| 142 | L | 91 | Very high | 86.3 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.6 | -178.3 | -52.1 | -173.8 | 0 | 0 | 0 | 111.4 | R87 I88 V136 L137 V140 I204 | R87-L142 CarbonylContact C-O 3.55Å; R87-L142 WeakPolarHBondContact CA-O 3.23Å; I88-L142 PolarHBondContact N-O 3.41Å; I88-L142 PolarHBondContact O-N 3.16Å; V136-L142 HydrophobicContact CG1-CD1 3.41Å; V136-L142 VanDerWaalsContact CG1-CD1 3.41Å; L137-L142 HydrophobicContact CB-CD1 4.06Å; L137-L142 HydrophobicContact CB-CD2 3.96Å; L137-L142 HydrophobicContact CD1-CD2 4.28Å; L137-L142 WeakPolarHBondContact O-CD1 3.27Å; V140-L142 HydrophobicContact CB-CD2 4.28Å; V140-L142 HydrophobicContact CG1-CD2 4.47Å; V140-L142 PolarHBondContact O-N 3.22Å; L142-I204 CarbonylContact C-O 3.57Å; L142-I204 VanDerWaalsContact CA-O 3.32Å; L142-I204 WeakPolarHBondContact CA-O 3.37Å; L142-I204 HydrophobicContact CD2-CB 3.82Å; L142-I204 HydrophobicContact CD2-CG2 4.38Å |
| 143 | N | 91.5 | Very high | 85.7 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 80.4 | 157.8 | -70.1 | -53.3 | 0 | 0 | 0 | 107.7 | F86 R87 T145 E203 I204 Y205 Q206 | F86-N143 CarbonylContact O-C 3.47Å; F86-N143 WeakPolarHBondContact O-CA 3.22Å; R87-N143 WeakPolarHBondContact CB-OD1 3.37Å; R87-N143 WeakPolarHBondContact CG-OD1 3.41Å; N143-T145 PolarHBondContact O-N 3.29Å; N143-E203 PolarHBondContact ND2-OE2 2.98Å; N143-I204 PolarHBondContact N-O 2.66Å; N143-Y205 HydrophobicContact CB-CD1 3.55Å; N143-Y205 HydrophobicContact CB-CE1 3.61Å; N143-Y205 HydrophobicContact CB-CG 4.06Å; N143-Y205 WeakPolarHBondContact ND2-CE2 3.49Å; N143-Y205 PolarHBondContact ND2-OH 3.41Å; N143-Q206 PolarHBondContact O-N 3.26Å; N143-Q206 VanDerWaalsContact O-N 3.15Å |
| 144 | L | 91.7 | Very high | 85.3 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 110.5 | -178.6 | 177.6 | 66 | 0 | 0 | 0 | 109.3 | I85 F86 I88 F98 V136 Q206 L208 | I85-L144 WeakPolarHBondContact CA-O 3.4Å; F86-L144 HydrophobicContact CB-CB 4.4Å; F86-L144 PolarHBondContact N-O 2.98Å; F86-L144 PolarHBondContact O-N 2.98Å; I88-L144 HydrophobicContact CG2-CB 4.31Å; F98-L144 HydrophobicContact CE1-CD2 4.24Å; V136-L144 HydrophobicContact CG1-CD1 4.26Å; V136-L144 HydrophobicContact CG2-CD1 3.97Å; L144-Q206 WeakPolarHBondContact CA-O 3.35Å; L144-L208 HydrophobicContact CD1-CB 4.06Å |
| 145 | T | 90.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137 | -177.7 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | F83 L84 I85 N143 I185 Q206 V207 L208 | F83-T145 HydrophobicContact CB-CG2 4.25Å; F83-T145 HydrophobicContact CD1-CG2 4.12Å; L84-T145 CarbonylContact O-C 3.6Å; L84-T145 WeakPolarHBondContact O-CA 3.39Å; I85-T145 HydrophobicContact CG1-CG2 4.25Å; N143-T145 PolarHBondContact O-N 3.29Å; T145-I185 HydrophobicContact CG2-CB 4.35Å; T145-Q206 PolarHBondContact N-O 2.71Å; T145-V207 CarbonylContact O-C 3.46Å; T145-V207 WeakPolarHBondContact O-CA 3.38Å; T145-L208 PolarHBondContact O-N 3.49Å |
| 146 | I | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 120.5 | 179.7 | -45.4 | 176.9 | 0 | 0 | 0 | 108.9 | F83 L84 F86 F98 F115 L148 F151 L208 | F83-I146 WeakPolarHBondContact CA-O 3.42Å; L84-I146 PolarHBondContact N-O 3.3Å; L84-I146 PolarHBondContact O-N 3.31Å; F86-I146 HydrophobicContact CE2-CD1 4.04Å; F98-I146 HydrophobicContact CE2-CD1 3.76Å; F98-I146 HydrophobicContact CZ-CD1 3.59Å; F115-I146 HydrophobicContact CE1-CD1 4.25Å; F115-I146 HydrophobicContact CZ-CD1 4.38Å; I146-L148 HydrophobicContact CB-CD2 4.44Å; I146-L148 HydrophobicContact CG2-CD2 4.12Å; I146-L148 PolarHBondContact O-N 3.14Å; I146-F151 HydrophobicContact CG2-CD2 4.21Å; I146-L208 HydrophobicContact CG1-CB 4.41Å |
| 147 | D | 85.2 | Confident | 83.9 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 95.7 | 169.5 | -171.6 | -29.9 | 0 | 0 | 0 | 109.4 | R82 F83 F149 S150 F151 | R82-D147 VanDerWaalsContact CG-OD1 3.31Å; R82-D147 WeakPolarHBondContact CG-OD1 3.31Å; R82-D147 IonicContact CZ-OD1 3.74Å; R82-D147 IonicContact CZ-OD2 2.87Å; R82-D147 VanDerWaalsContact NE-CG 3.33Å; R82-D147 IonicContact NE-OD1 2.71Å; R82-D147 PolarHBondContact NE-OD1 3.24Å; R82-D147 VanDerWaalsContact NE-OD1 3.09Å; R82-D147 IonicContact NE-OD2 2.86Å; R82-D147 PolarHBondContact NE-OD2 3.41Å; R82-D147 IonicContact NH2-OD1 3.09Å; R82-D147 IonicContact NH2-OD2 2.73Å; R82-D147 PolarHBondContact NH2-OD2 3.31Å; F83-D147 HydrophobicContact CD1-CB 3.85Å; F83-D147 HydrophobicContact CE1-CB 3.54Å; F83-D147 VanDerWaalsContact CE1-CG 3.48Å; F83-D147 VanDerWaalsContact CE1-OD2 3.22Å; F83-D147 WeakPolarHBondContact CE1-OD2 3.41Å; F83-D147 HydrophobicContact CZ-CB 4.41Å; F83-D147 WeakPolarHBondContact CZ-OD2 3.35Å; D147-F149 PolarHBondContact O-N 3.45Å; D147-F149 WeakPolarHBondContact OD1-CB 3.32Å; D147-F149 PolarHBondContact OD1-N 2.93Å; D147-S150 PolarHBondContact O-N 2.85Å; D147-S150 PolarHBondContact OD1-N 2.85Å; D147-S150 PolarHBondContact OD2-OG 2.87Å; D147-F151 WeakPolarHBondContact O-CB 3.38Å; D147-F151 PolarHBondContact O-N 2.95Å |
| 148 | L | 81.3 | Confident | 82.4 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -25.8 | -176.3 | -57.8 | 179.6 | 0 | 0 | 0 | 112.6 | R82 L84 L100 I146 I152 L161 | R82-L148 WeakPolarHBondContact O-CB 3.22Å; R82-L148 PolarHBondContact O-N 2.86Å; L84-L148 HydrophobicContact CB-CD1 4.17Å; L84-L148 HydrophobicContact CB-CD2 4.15Å; L84-L148 HydrophobicContact CB-CG 4.18Å; L84-L148 HydrophobicContact CD2-CD2 4.33Å; L100-L148 HydrophobicContact CD1-CD2 3.7Å; I146-L148 HydrophobicContact CB-CD2 4.44Å; I146-L148 HydrophobicContact CG2-CD2 4.12Å; I146-L148 PolarHBondContact O-N 3.14Å; L148-I152 VanDerWaalsContact O-CD1 3.23Å; L148-I152 WeakPolarHBondContact O-CD1 3.31Å; L148-I152 VanDerWaalsContact O-CG1 3.31Å; L148-I152 WeakPolarHBondContact O-CG1 3.21Å; L148-L161 HydrophobicContact CB-CD1 3.95Å |
| 149 | F | 76.9 | Confident | 80.8 | Confident | 128 Ų | 128 | 43.7 Ų | 43.7 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -77.8 | -53.9 | 178.8 | -175.6 | -91.2 | 0 | 0 | 0 | 110.9 | R82 D147 F151 I152 H153 | R82-F149 HydrophobicContact CG-CB 4.01Å; D147-F149 PolarHBondContact O-N 3.45Å; D147-F149 WeakPolarHBondContact OD1-CB 3.32Å; D147-F149 PolarHBondContact OD1-N 2.93Å; F149-F151 VanDerWaalsContact C-N 3.27Å; F149-F151 PolarHBondContact O-N 3.15Å; F149-I152 PolarHBondContact O-N 3.11Å; F149-H153 WeakPolarHBondContact O-CB 3.06Å; F149-H153 PolarHBondContact O-N 2.95Å; F149-H153 VanDerWaalsContact O-N 3.11Å |
| 150 | S | 80.7 | Confident | 79.1 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 22% | 0.217 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -36.4 | 176.7 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | D147 I152 H153 D154 | D147-S150 PolarHBondContact O-N 2.85Å; D147-S150 PolarHBondContact OD1-N 2.85Å; D147-S150 PolarHBondContact OD2-OG 2.87Å; S150-I152 VanDerWaalsContact C-N 3.27Å; S150-I152 PolarHBondContact O-N 3.38Å; S150-H153 PolarHBondContact O-N 2.92Å; S150-D154 WeakPolarHBondContact O-CB 3.46Å; S150-D154 VanDerWaalsContact O-CG 3.26Å; S150-D154 PolarHBondContact O-N 3.23Å |
| 151 | F | 81.2 | Confident | 77.4 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -32.2 | -179.7 | -153.3 | -82.2 | 0 | 0 | 0 | 113.1 | F113 F115 V131 I146 D147 F149 L155 V210 I213 | F113-F151 HydrophobicContact CD1-CD1 4.02Å; F113-F151 AromaticContact CD1-CE1 3.98Å; F113-F151 HydrophobicContact CD1-CE1 3.98Å; F113-F151 AromaticContact CE1-CD1 3.8Å; F113-F151 HydrophobicContact CE1-CD1 3.8Å; F113-F151 HydrophobicContact CE1-CE1 4.05Å; F115-F151 HydrophobicContact CE1-CE1 4.23Å; F115-F151 HydrophobicContact CE1-CE2 4.06Å; F115-F151 AromaticContact CE1-CZ 3.82Å; F115-F151 HydrophobicContact CE1-CZ 3.82Å; F115-F151 HydrophobicContact CZ-CD1 4.49Å; F115-F151 HydrophobicContact CZ-CE1 4.11Å; F115-F151 HydrophobicContact CZ-CZ 4.16Å; V131-F151 HydrophobicContact CB-CZ 4.33Å; V131-F151 HydrophobicContact CG1-CE2 4.43Å; V131-F151 HydrophobicContact CG1-CZ 3.65Å; V131-F151 HydrophobicContact CG2-CE1 3.67Å; V131-F151 HydrophobicContact CG2-CZ 3.67Å; I146-F151 HydrophobicContact CG2-CD2 4.21Å; D147-F151 WeakPolarHBondContact O-CB 3.38Å; D147-F151 PolarHBondContact O-N 2.95Å; F149-F151 VanDerWaalsContact C-N 3.27Å; F149-F151 PolarHBondContact O-N 3.15Å; F151-L155 HydrophobicContact CD1-CD1 3.79Å; F151-L155 HydrophobicContact CE1-CD1 3.67Å; F151-L155 VanDerWaalsContact O-CD1 3.27Å; F151-L155 WeakPolarHBondContact O-CD1 3.33Å; F151-L155 WeakPolarHBondContact O-CG 3.43Å; F151-V210 HydrophobicContact CB-CG2 4.5Å; F151-V210 HydrophobicContact CD1-CG2 4.03Å; F151-V210 HydrophobicContact CD2-CG2 3.67Å; F151-V210 HydrophobicContact CE1-CG2 4.06Å; F151-V210 HydrophobicContact CE2-CG2 3.69Å; F151-V210 HydrophobicContact CG-CG2 3.82Å; F151-V210 HydrophobicContact CZ-CG2 3.86Å; F151-I213 HydrophobicContact CE2-CD1 3.6Å; F151-I213 HydrophobicContact CZ-CD1 3.79Å |
| 152 | I | 78.7 | Confident | 75.9 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -84.2 | -41.2 | 179.4 | -68.1 | 169.2 | 0 | 0 | 0 | 111.1 | F103 F113 L148 F149 S150 L155 N156 V157 L161 | F103-I152 HydrophobicContact CD1-CD1 3.64Å; F103-I152 HydrophobicContact CE1-CD1 3.34Å; F103-I152 HydrophobicContact CE1-CG1 4.39Å; F103-I152 HydrophobicContact CZ-CD1 4.23Å; F113-I152 HydrophobicContact CE1-CG1 4.36Å; F113-I152 HydrophobicContact CZ-CG1 3.96Å; L148-I152 VanDerWaalsContact O-CD1 3.23Å; L148-I152 WeakPolarHBondContact O-CD1 3.31Å; L148-I152 VanDerWaalsContact O-CG1 3.31Å; L148-I152 WeakPolarHBondContact O-CG1 3.21Å; F149-I152 PolarHBondContact O-N 3.11Å; S150-I152 VanDerWaalsContact C-N 3.27Å; S150-I152 PolarHBondContact O-N 3.38Å; I152-L155 PolarHBondContact O-N 3.47Å; I152-N156 PolarHBondContact O-N 3.27Å; I152-V157 HydrophobicContact CG2-CB 4.21Å; I152-L161 HydrophobicContact CD1-CB 4.28Å; I152-L161 HydrophobicContact CD1-CD1 3.64Å; I152-L161 HydrophobicContact CD1-CG 3.49Å; I152-L161 VanDerWaalsContact CD1-CG 3.49Å |
| 153 | H | 77.4 | Confident | 74.8 | Confident | 134 Ų | 134 | 50.7 Ų | 50.7 | 62% | 0.62 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.4 | -50.3 | 174.5 | 178.6 | -87.8 | 0 | 0 | 0 | 111.4 | F149 S150 L155 N156 | F149-H153 WeakPolarHBondContact O-CB 3.06Å; F149-H153 PolarHBondContact O-N 2.95Å; F149-H153 VanDerWaalsContact O-N 3.11Å; S150-H153 PolarHBondContact O-N 2.92Å; H153-L155 PolarHBondContact O-N 3.04Å; H153-L155 VanDerWaalsContact O-N 3.12Å; H153-N156 PolarHBondContact O-N 3.26Å |
| 154 | D | 82.3 | Confident | 74.1 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.7 | -176.7 | -69 | -1.8 | 0 | 0 | 0 | 114.3 | S150 V210 P211 R214 | S150-D154 WeakPolarHBondContact O-CB 3.46Å; S150-D154 VanDerWaalsContact O-CG 3.26Å; S150-D154 PolarHBondContact O-N 3.23Å; D154-V210 HydrophobicContact CB-CB 3.71Å; D154-V210 HydrophobicContact CB-CG1 4Å; D154-V210 HydrophobicContact CB-CG2 3.96Å; D154-P211 WeakPolarHBondContact OD2-CD 3.18Å; D154-R214 PolarHBondContact O-NH1 2.86Å; D154-R214 VanDerWaalsContact O-NH1 3.11Å; D154-R214 PolarHBondContact O-NH2 3.34Å |
| 155 | L | 79.4 | Confident | 73.4 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -6.5 | 174 | -65.3 | 177.5 | 0 | 0 | 0 | 113.7 | F113 L122 I124 V129 F151 I152 H153 V157 V210 | F113-L155 HydrophobicContact CE1-CD1 3.71Å; F113-L155 HydrophobicContact CZ-CD1 4.39Å; L122-L155 HydrophobicContact CD1-CD2 3.85Å; L122-L155 HydrophobicContact CD2-CD2 3.64Å; L122-L155 HydrophobicContact CG-CD2 4.12Å; I124-L155 HydrophobicContact CD1-CB 4.22Å; I124-L155 HydrophobicContact CD1-CD2 4.39Å; V129-L155 HydrophobicContact CG1-CD1 3.8Å; F151-L155 HydrophobicContact CD1-CD1 3.79Å; F151-L155 HydrophobicContact CE1-CD1 3.67Å; F151-L155 VanDerWaalsContact O-CD1 3.27Å; F151-L155 WeakPolarHBondContact O-CD1 3.33Å; F151-L155 WeakPolarHBondContact O-CG 3.43Å; I152-L155 PolarHBondContact O-N 3.47Å; H153-L155 PolarHBondContact O-N 3.04Å; H153-L155 VanDerWaalsContact O-N 3.12Å; L155-V157 VanDerWaalsContact C-N 3.27Å; L155-V157 HydrophobicContact CB-CG2 4.09Å; L155-V157 PolarHBondContact O-N 2.8Å; L155-V210 HydrophobicContact CD2-CG1 4Å; L155-V210 HydrophobicContact CD2-CG2 4.2Å; L155-V210 HydrophobicContact CG-CG2 4.09Å |
| 156 | N | 70.7 | Confident | 73.1 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 46.8 | -176.5 | -161.2 | 90.6 | 0 | 0 | 0 | 112.4 | I152 H153 E158 | I152-N156 PolarHBondContact O-N 3.27Å; H153-N156 PolarHBondContact O-N 3.26Å; N156-E158 VanDerWaalsContact ND2-CG 3.27Å; N156-E158 WeakPolarHBondContact ND2-CG 3.33Å; N156-E158 PolarHBondContact ND2-OE1 3.27Å; N156-E158 WeakPolarHBondContact O-CG 3.35Å; N156-E158 PolarHBondContact O-N 2.96Å |
| 157 | V | 71.6 | Confident | 73.2 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | trans | -82.2 | 94.4 | 168.8 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | L111 F113 I152 L155 N159 | L111-V157 HydrophobicContact CD2-CG1 3.44Å; L111-V157 VanDerWaalsContact CD2-CG1 3.44Å; L111-V157 HydrophobicContact CD2-CG2 4.45Å; F113-V157 HydrophobicContact CZ-CG2 4.47Å; I152-V157 HydrophobicContact CG2-CB 4.21Å; L155-V157 VanDerWaalsContact C-N 3.27Å; L155-V157 HydrophobicContact CB-CG2 4.09Å; L155-V157 PolarHBondContact O-N 2.8Å; V157-N159 PolarHBondContact O-N 2.97Å | ||
| 158 | E | 56.1 | Low | 73.5 | Confident | 164 Ų | 164 | 55.5 Ų | 55.5 | 77% | 0.766 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -66.1 | 5.3 | -164.6 | -54.6 | -175 | 150.7 | 0 | 0 | 115.5 | N156 | N156-E158 VanDerWaalsContact ND2-CG 3.27Å; N156-E158 WeakPolarHBondContact ND2-CG 3.33Å; N156-E158 PolarHBondContact ND2-OE1 3.27Å; N156-E158 WeakPolarHBondContact O-CG 3.35Å; N156-E158 PolarHBondContact O-N 2.96Å |
| 159 | N | 55.3 | Low | 74.1 | Confident | 92 Ų | 92 | 55 Ų | 55 | 49% | 0.492 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -133.6 | 58.1 | -171.1 | -94.8 | -35 | 0 | 0 | 0 | 109.4 | T105 V157 | T105-N159 HydrophobicContact CG2-CB 3.52Å; T105-N159 WeakPolarHBondContact CG2-OD1 3.29Å; V157-N159 PolarHBondContact O-N 2.97Å |
| 160 | G | 52.4 | Low | 74.8 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | trans | -70.8 | -173.2 | -160.2 | 0 | 0 | 0 | 0 | 0 | 118 | K162 | G160-K162 PolarHBondContact O-N 2.99Š| ||
| 161 | L | 52.4 | Low | 75.2 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | trans | -49.9 | 107.4 | -176.8 | -98.1 | 170.4 | 0 | 0 | 0 | 113.3 | L80 F103 L148 I152 | L80-L161 HydrophobicContact CD1-CB 4.15Å; L80-L161 WeakPolarHBondContact CD1-O 3.49Å; L80-L161 HydrophobicContact CD2-CB 4.35Å; L80-L161 HydrophobicContact CD2-CD2 3.94Å; F103-L161 HydrophobicContact CD1-CD2 3.68Å; F103-L161 HydrophobicContact CD1-CG 3.75Å; F103-L161 HydrophobicContact CE1-CD1 4.41Å; F103-L161 HydrophobicContact CE1-CD2 3.48Å; F103-L161 VanDerWaalsContact CE1-CD2 3.48Å; F103-L161 HydrophobicContact CE1-CG 3.63Å; L148-L161 HydrophobicContact CB-CD1 3.95Å; I152-L161 HydrophobicContact CD1-CB 4.28Å; I152-L161 HydrophobicContact CD1-CD1 3.64Å; I152-L161 HydrophobicContact CD1-CG 3.49Å; I152-L161 VanDerWaalsContact CD1-CG 3.49Å | ||
| 162 | K | 60.3 | Low | 75.6 | Confident | 146 Ų | 146 | 52.4 Ų | 52.4 | 64% | 0.635 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -93 | -43.1 | 156.4 | -67.5 | -172.2 | 178.3 | -178.3 | 0 | 111.6 | G160 | G160-K162 PolarHBondContact O-N 2.99Š|
| 163 | K | 67.1 | Low | 76.2 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | trans | -169.8 | 135.1 | 179.5 | -159.1 | 174.4 | 174.8 | -160.8 | 0 | 110.7 | E74 S77 R102 | E74-K163 WeakPolarHBondContact O-CE 3.49Å; E74-K163 PolarHBondContact O-NZ 2.94Å; E74-K163 WeakPolarHBondContact OE1-CD 3.37Å; E74-K163 VanDerWaalsContact OE1-CE 3.26Å; E74-K163 WeakPolarHBondContact OE1-CE 3.4Å; E74-K163 IonicContact OE1-NZ 2.77Å; E74-K163 PolarHBondContact OE1-NZ 3.04Å; S77-K163 VanDerWaalsContact O-CE 3.26Å; S77-K163 WeakPolarHBondContact O-CE 3.4Å; R102-K163 WeakPolarHBondContact CD-O 3.18Å; R102-K163 WeakPolarHBondContact CG-O 3.27Å; R102-K163 PolarHBondContact NE-O 2.83Å | ||
| 164 | L | 76.6 | Confident | 77 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | -74.5 | 153.6 | 168.9 | -178.2 | 65.6 | 0 | 0 | 0 | 109.9 | Y73 L100 N101 R102 I167 | Y73-L164 HydrophobicContact CD1-CB 3.67Å; Y73-L164 HydrophobicContact CD1-CD2 4.42Å; Y73-L164 HydrophobicContact CD1-CG 4.31Å; Y73-L164 HydrophobicContact CD2-CD2 4.01Å; Y73-L164 HydrophobicContact CE1-CB 3.9Å; Y73-L164 HydrophobicContact CE2-CD2 4.3Å; Y73-L164 HydrophobicContact CG-CB 4.08Å; Y73-L164 HydrophobicContact CG-CD2 4.03Å; Y73-L164 HydrophobicContact CG-CG 4.21Å; L100-L164 HydrophobicContact CB-CD1 4.11Å; N101-L164 WeakPolarHBondContact O-CD1 3.48Å; R102-L164 PolarHBondContact NH1-O 3.46Å; L164-I167 HydrophobicContact CD2-CD1 3.98Å; L164-I167 HydrophobicContact CD2-CG1 3.84Å | ||
| 165 | K | 77.4 | Confident | 77.5 | Confident | 101 Ų | 101 | 46.1 Ų | 46.1 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | trans | -105.5 | -60.2 | 178.1 | -153.3 | -179.5 | 179.8 | -175.3 | 0 | 111.6 | Y73 E74 N101 R102 | Y73-K165 WeakPolarHBondContact CA-O 3.35Å; Y73-K165 WeakPolarHBondContact CB-O 3.45Å; Y73-K165 PolarHBondContact N-O 2.82Å; E74-K165 HydrophobicContact CB-CG 4.03Å; E74-K165 PolarHBondContact N-O 2.98Å; N101-K165 WeakPolarHBondContact O-CB 3.39Å; N101-K165 PolarHBondContact O-N 2.88Å; R102-K165 HydrophobicContact CB-CB 3.58Å; R102-K165 HydrophobicContact CG-CB 4.23Å | ||
| 166 | T | 84.2 | Confident | 78.2 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.4 | -172.7 | 59.4 | 0 | 0 | 0 | 0 | 111 | E70 F71 M72 N101 | E70-T166 HydrophobicContact CG-CG2 3.93Å; E70-T166 WeakPolarHBondContact OE1-CB 3.23Å; E70-T166 WeakPolarHBondContact OE1-CG2 3.4Å; E70-T166 PolarHBondContact OE1-OG1 2.72Å; F71-T166 WeakPolarHBondContact O-CA 3.32Å; M72-T166 HydrophobicContact CG-CG2 4.46Å; N101-T166 WeakPolarHBondContact CB-OG1 3.37Å; N101-T166 PolarHBondContact N-O 3.08Å; N101-T166 PolarHBondContact ND2-OG1 3.34Å; N101-T166 PolarHBondContact O-N 2.96Å |
| 167 | I | 90.4 | Very high | 79.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.9 | 176.3 | -60.3 | 171.9 | 0 | 0 | 0 | 105.3 | L25 E70 F71 L84 F86 L100 L164 V169 L178 | L25-I167 HydrophobicContact CD1-CD1 3.98Å; E70-I167 CarbonylContact C-O 3.55Å; E70-I167 WeakPolarHBondContact CA-O 3.36Å; F71-I167 HydrophobicContact CB-CB 4.37Å; F71-I167 HydrophobicContact CD2-CB 4.36Å; F71-I167 HydrophobicContact CD2-CG2 4.39Å; F71-I167 WeakPolarHBondContact CD2-O 3.18Å; F71-I167 PolarHBondContact N-O 3.1Å; F71-I167 PolarHBondContact O-N 3.12Å; F71-I167 VanDerWaalsContact O-N 3.09Å; L84-I167 HydrophobicContact CD1-CD1 3.74Å; L84-I167 HydrophobicContact CD2-CD1 4.09Å; F86-I167 HydrophobicContact CE1-CG2 4.15Å; F86-I167 HydrophobicContact CZ-CG2 3.98Å; L100-I167 HydrophobicContact CD2-CB 4.36Å; L100-I167 HydrophobicContact CD2-CG1 4.02Å; L100-I167 HydrophobicContact CD2-CG2 3.88Å; L164-I167 HydrophobicContact CD2-CD1 3.98Å; L164-I167 HydrophobicContact CD2-CG1 3.84Å; I167-V169 HydrophobicContact CG2-CG2 4.45Å; I167-L178 HydrophobicContact CD1-CD2 4.26Å; I167-L178 HydrophobicContact CG2-CD2 4.21Å |
| 168 | T | 91.4 | Very high | 80.2 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.6 | -177.6 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | H68 L69 F98 D99 Y170 | H68-T168 HydrophobicContact CB-CG2 4.02Å; L69-T168 CarbonylContact O-C 3.55Å; L69-T168 WeakPolarHBondContact O-CA 3.18Å; F98-T168 CarbonylContact C-O 3.54Å; F98-T168 WeakPolarHBondContact CA-O 3.5Å; F98-T168 VanDerWaalsContact CB-O 3.3Å; F98-T168 WeakPolarHBondContact CB-O 3.18Å; D99-T168 PolarHBondContact N-O 2.84Å; D99-T168 PolarHBondContact O-N 2.83Å; T168-Y170 HydrophobicContact CG2-CD2 4.34Å; T168-Y170 HydrophobicContact CG2-CE1 4.27Å; T168-Y170 HydrophobicContact CG2-CE2 3.77Å |
| 169 | V | 93.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.5 | 178.1 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | L60 H68 L69 F71 F86 F96 F98 I167 | L60-V169 HydrophobicContact CD1-CB 4.39Å; L60-V169 HydrophobicContact CD1-CG1 3.88Å; H68-V169 WeakPolarHBondContact CA-O 3.47Å; H68-V169 WeakPolarHBondContact CB-O 3.26Å; L69-V169 PolarHBondContact N-O 2.81Å; L69-V169 PolarHBondContact O-N 3.23Å; F71-V169 HydrophobicContact CD2-CG2 4.45Å; F71-V169 HydrophobicContact CE2-CB 4.38Å; F71-V169 HydrophobicContact CE2-CG2 3.86Å; F86-V169 HydrophobicContact CE1-CG2 3.86Å; F96-V169 HydrophobicContact CE2-CG1 3.99Å; F96-V169 HydrophobicContact CZ-CG1 4.35Å; F98-V169 HydrophobicContact CB-CG2 4.38Å; I167-V169 HydrophobicContact CG2-CG2 4.45Å |
| 170 | Y | 92.1 | Very high | 83.3 | Confident | 45 Ų | 45 | 27.6 Ų | 27.6 | 18% | 0.176 | 13% | 0.132 | C | C | . | . | trans | -103.6 | 177.6 | -176.6 | -65.6 | -90.4 | 0 | 0 | 0 | 111.5 | H68 K97 D99 T168 | H68-Y170 HydrophobicContact CB-CD1 3.82Å; H68-Y170 HydrophobicContact CB-CE1 4.1Å; H68-Y170 HydrophobicContact CB-CG 4.4Å; K97-Y170 HydrophobicContact CD-CD2 3.85Å; K97-Y170 HydrophobicContact CD-CE2 4.08Å; K97-Y170 HydrophobicContact CD-CG 4.11Å; K97-Y170 VanDerWaalsContact CE-CG 3.45Å; K97-Y170 HydrophobicContact CG-CD2 3.62Å; K97-Y170 HydrophobicContact CG-CE2 4.33Å; K97-Y170 HydrophobicContact CG-CG 3.81Å; K97-Y170 PolarHBondContact NZ-OH 3.04Å; K97-Y170 WeakPolarHBondContact O-CB 3.32Å; K97-Y170 WeakPolarHBondContact O-CD2 3.23Å; K97-Y170 PolarHBondContact O-N 3.27Å; D99-Y170 HydrophobicContact CB-CE2 4.32Å; D99-Y170 WeakPolarHBondContact OD2-CE2 3.34Å; D99-Y170 VanDerWaalsContact OD2-CZ 3.3Å; D99-Y170 PolarHBondContact OD2-OH 2.92Å; T168-Y170 HydrophobicContact CG2-CD2 4.34Å; T168-Y170 HydrophobicContact CG2-CE1 4.27Å; T168-Y170 HydrophobicContact CG2-CE2 3.77Å | ||
| 171 | P | 89.1 | Confident | 84.8 | Confident | 12 Ų | 12 | 26 Ų | 26 | 8% | 0.078 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -65.2 | 176.5 | -173.4 | -28.7 | 41.3 | 0 | 0 | 0 | 116.6 | S61 T67 | S61-P171 WeakPolarHBondContact O-CB 3.31Å; S61-P171 WeakPolarHBondContact O-CG 3.49Å; T67-P171 HydrophobicContact CG2-CG 4.24Å; T67-P171 VanDerWaalsContact O-CD 3.23Å; T67-P171 WeakPolarHBondContact O-CD 3.5Å; T67-P171 WeakPolarHBondContact O-CG 3.39Å |
| 172 | F | 89.1 | Confident | 85.9 | Confident | 49 Ų | 49 | 26.7 Ų | 26.7 | 22% | 0.215 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 73.7 | 26.3 | 177.3 | -39.2 | -55.7 | 0 | 0 | 0 | 114.9 | L60 T62 S91 Q94 | L60-F172 PolarHBondContact O-N 3.29Å; T62-F172 HydrophobicContact CG2-CE1 3.91Å; T62-F172 HydrophobicContact CG2-CZ 3.48Å; T62-F172 VanDerWaalsContact CG2-CZ 3.48Å; S91-F172 PolarHBondContact N-O 3.12Å; S91-F172 PolarHBondContact OG-O 3.06Å; Q94-F172 HydrophobicContact CB-CB 3.91Å; Q94-F172 HydrophobicContact CB-CD1 4.09Å; Q94-F172 HydrophobicContact CB-CD2 3.93Å; Q94-F172 HydrophobicContact CB-CE2 4.46Å; Q94-F172 HydrophobicContact CB-CG 3.69Å |
| 173 | C | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 162.1 | 169.3 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | L60 I88 F89 F96 | L60-C173 PolarHBondContact N-O 2.9Å; I88-C173 HydrophobicContact CD1-CB 3.79Å; I88-C173 HydrophobicContact CG1-CB 3.9Å; F89-C173 CarbonylContact O-C 3.6Å; F89-C173 WeakPolarHBondContact O-CA 3.18Å; F89-C173 WeakPolarHBondContact O-CB 3.48Å; F96-C173 HydrophobicContact CD2-CB 3.76Å; F96-C173 HydrophobicContact CE2-CB 3.74Å; F96-C173 VanDerWaalsContact CE2-SG 3.58Å |
| 174 | Y | 93 | Very high | 86.4 | Confident | 67 Ų | 67 | 26.6 Ų | 26.6 | 26% | 0.263 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.4 | 163 | -57 | -110.3 | 0 | 0 | 0 | 108.2 | V57 V58 K59 I88 F89 W141 | V57-Y174 HydrophobicContact CG2-CD1 4.07Å; V58-Y174 CarbonylContact O-C 3.5Å; V58-Y174 WeakPolarHBondContact O-CA 3.47Å; K59-Y174 HydrophobicContact CB-CD1 3.67Å; K59-Y174 HydrophobicContact CB-CE1 3.68Å; K59-Y174 HydrophobicContact CD-CE1 3.82Å; K59-Y174 HydrophobicContact CG-CD1 3.97Å; K59-Y174 HydrophobicContact CG-CE1 3.57Å; I88-Y174 WeakPolarHBondContact CA-O 3.47Å; F89-Y174 HydrophobicContact CB-CD2 4.42Å; F89-Y174 AromaticContact CD1-CD2 3.85Å; F89-Y174 HydrophobicContact CD1-CD2 3.85Å; F89-Y174 HydrophobicContact CD1-CE2 4.31Å; F89-Y174 HydrophobicContact CG-CD2 4.47Å; F89-Y174 PolarHBondContact N-O 2.89Å; F89-Y174 PolarHBondContact O-N 2.82Å; W141-Y174 WeakPolarHBondContact CZ3-O 3.31Å |
| 175 | L | 94.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.3 | -179.1 | -173.8 | 66.7 | 0 | 0 | 0 | 109.8 | F26 V58 F71 F86 I88 | F26-L175 HydrophobicContact CD1-CD2 3.75Å; F26-L175 HydrophobicContact CD1-CG 4.07Å; F26-L175 HydrophobicContact CE1-CB 4.36Å; F26-L175 HydrophobicContact CE1-CD2 3.67Å; F26-L175 HydrophobicContact CE1-CG 3.72Å; F26-L175 HydrophobicContact CZ-CD2 4.37Å; V58-L175 PolarHBondContact N-O 3.01Å; V58-L175 PolarHBondContact O-N 3.31Å; F71-L175 HydrophobicContact CE2-CD2 4.23Å; F71-L175 HydrophobicContact CZ-CD2 3.86Å; F86-L175 HydrophobicContact CD1-CD1 4.33Å; I88-L175 HydrophobicContact CB-CD1 4.39Å; I88-L175 HydrophobicContact CD1-CD1 4.45Å |
| 176 | S | 92.9 | Very high | 85.1 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -44.4 | 174.3 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | A28 R87 | A28-S176 PolarHBondContact N-O 3.11Å; R87-S176 PolarHBondContact O-N 3.49Å |
| 177 | E | 92 | Very high | 83.7 | Confident | 15 Ų | 15 | 30.2 Ų | 30.2 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 145.3 | -173.5 | -157.9 | -151.4 | 116.3 | 0 | 0 | 110.5 | K22 V24 F26 E27 R87 S179 | K22-E177 WeakPolarHBondContact CE-OE1 3.22Å; K22-E177 IonicContact NZ-OE1 3.19Å; K22-E177 PolarHBondContact NZ-OE1 3.26Å; K22-E177 IonicContact NZ-OE2 2.63Å; K22-E177 PolarHBondContact NZ-OE2 3.3Å; V24-E177 HydrophobicContact CG1-CG 4.35Å; F26-E177 WeakPolarHBondContact O-CA 3.34Å; E27-E177 HydrophobicContact CB-CG 4.49Å; R87-E177 HydrophobicContact CB-CB 3.75Å; R87-E177 PolarHBondContact N-O 3.41Å; R87-E177 PolarHBondContact O-N 2.98Å; E177-S179 WeakPolarHBondContact OE1-CB 3.34Å; E177-S179 PolarHBondContact OE1-OG 2.94Å |
| 178 | L | 92.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 120 | 166.8 | -179.3 | 66.3 | 0 | 0 | 0 | 108 | L25 F26 F71 L84 F86 I167 | L25-L178 HydrophobicContact CB-CD2 4.31Å; L25-L178 HydrophobicContact CB-CG 4.28Å; L25-L178 WeakPolarHBondContact CB-O 3.5Å; L25-L178 HydrophobicContact CD1-CD2 4.35Å; L25-L178 HydrophobicContact CD1-CG 4.33Å; L25-L178 PolarHBondContact N-O 2.9Å; F26-L178 HydrophobicContact CB-CB 4.12Å; F26-L178 HydrophobicContact CD1-CB 4.45Å; F26-L178 PolarHBondContact N-O 3.11Å; F26-L178 VanDerWaalsContact N-O 3.16Å; F26-L178 PolarHBondContact O-N 3.35Å; F71-L178 HydrophobicContact CB-CD2 4.21Å; F71-L178 HydrophobicContact CD1-CD2 4.21Å; F71-L178 HydrophobicContact CD2-CD2 3.45Å; F71-L178 VanDerWaalsContact CD2-CD2 3.45Å; F71-L178 HydrophobicContact CE2-CD2 3.83Å; F71-L178 HydrophobicContact CG-CD2 3.68Å; F71-L178 HydrophobicContact CZ-CD2 4.37Å; L84-L178 HydrophobicContact CD1-CD1 3.83Å; F86-L178 HydrophobicContact CD1-CD1 3.44Å; F86-L178 VanDerWaalsContact CD1-CD1 3.44Å; F86-L178 HydrophobicContact CD2-CD1 4.26Å; F86-L178 HydrophobicContact CE1-CD1 3.42Å; F86-L178 VanDerWaalsContact CE1-CD1 3.42Å; F86-L178 HydrophobicContact CE2-CD1 4.25Å; F86-L178 HydrophobicContact CG-CD1 3.88Å; F86-L178 HydrophobicContact CZ-CD1 3.85Å; I167-L178 HydrophobicContact CD1-CD2 4.26Å; I167-L178 HydrophobicContact CG2-CD2 4.21Å |
| 179 | S | 89 | Confident | 79 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 164.2 | 179.8 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | K22 R23 I85 E177 | K22-S179 WeakPolarHBondContact CE-OG 3.46Å; R23-S179 CarbonylContact O-C 3.51Å; R23-S179 VanDerWaalsContact O-CA 3.23Å; R23-S179 WeakPolarHBondContact O-CA 3.5Å; R23-S179 VanDerWaalsContact O-CB 3.27Å; R23-S179 WeakPolarHBondContact O-CB 3.35Å; I85-S179 PolarHBondContact N-O 3.02Å; I85-S179 PolarHBondContact O-N 3.41Å; E177-S179 WeakPolarHBondContact OE1-CB 3.34Å; E177-S179 PolarHBondContact OE1-OG 2.94Å |
| 180 | V | 87.5 | Confident | 76.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.5 | 180 | -68 | 0 | 0 | 0 | 0 | 111.1 | R23 L25 Y73 Y81 F83 L84 | R23-V180 HydrophobicContact CB-CG2 4.19Å; R23-V180 PolarHBondContact N-O 2.88Å; R23-V180 PolarHBondContact O-N 3.12Å; L25-V180 HydrophobicContact CD1-CG1 3.81Å; L25-V180 HydrophobicContact CD1-CG2 4.27Å; L25-V180 HydrophobicContact CD2-CG2 4.1Å; L25-V180 HydrophobicContact CG-CG1 4.47Å; L25-V180 HydrophobicContact CG-CG2 4.19Å; Y73-V180 HydrophobicContact CE2-CG1 4.1Å; Y73-V180 HydrophobicContact CE2-CG2 4.23Å; Y81-V180 HydrophobicContact CD1-CB 4.29Å; Y81-V180 HydrophobicContact CD1-CG2 3.97Å; Y81-V180 HydrophobicContact CD2-CB 4.38Å; Y81-V180 HydrophobicContact CD2-CG2 3.68Å; Y81-V180 HydrophobicContact CE1-CG2 4.38Å; Y81-V180 HydrophobicContact CE2-CG2 4.11Å; Y81-V180 HydrophobicContact CG-CB 3.89Å; Y81-V180 HydrophobicContact CG-CG2 3.6Å; F83-V180 CarbonylContact O-C 3.49Å; F83-V180 VanDerWaalsContact O-CA 3.28Å; F83-V180 WeakPolarHBondContact O-CA 3.41Å; L84-V180 HydrophobicContact CB-CG1 4.38Å; L84-V180 HydrophobicContact CD1-CG1 3.42Å; L84-V180 VanDerWaalsContact CD1-CG1 3.42Å |
| 181 | T | 83.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 161.9 | -176.6 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | R82 F83 I85 Y183 | R82-T181 PolarHBondContact N-O 3.47Å; R82-T181 VanDerWaalsContact N-O 3.11Å; F83-T181 HydrophobicContact CB-CG2 3.83Å; F83-T181 PolarHBondContact N-O 3.36Å; F83-T181 PolarHBondContact O-N 2.55Å; I85-T181 HydrophobicContact CD1-CG2 3.82Å; T181-Y183 HydrophobicContact CG2-CD1 4.41Å; T181-Y183 HydrophobicContact CG2-CD2 4.23Å; T181-Y183 HydrophobicContact CG2-CE1 4.31Å; T181-Y183 HydrophobicContact CG2-CE2 4.14Å; T181-Y183 HydrophobicContact CG2-CG 4.34Å; T181-Y183 WeakPolarHBondContact CG2-O 3.49Å; T181-Y183 WeakPolarHBondContact OG1-CD1 3.36Å; T181-Y183 WeakPolarHBondContact OG1-CE1 3.16Å; T181-Y183 PolarHBondContact OG1-N 3.46Å |
| 182 | S | 75.6 | Confident | 70.2 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -88.9 | -25.4 | 171.5 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | M20 F83 | M20-S182 WeakPolarHBondContact CB-OG 3.38Å; M20-S182 PolarHBondContact O-OG 2.93Å; F83-S182 WeakPolarHBondContact CE2-O 3.41Å |
| 183 | Y | 70.8 | Confident | 67.2 | Low | 112 Ų | 112 | 56 Ų | 56 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -84.6 | 143 | -175.7 | 64 | -104.3 | 0 | 0 | 0 | 112.3 | K22 F83 T181 I185 | K22-Y183 HydrophobicContact CB-CE1 4.41Å; F83-Y183 VanDerWaalsContact CD2-C 3.46Å; F83-Y183 WeakPolarHBondContact CD2-O 3.4Å; F83-Y183 VanDerWaalsContact CE2-C 3.47Å; F83-Y183 WeakPolarHBondContact CE2-O 3.45Å; T181-Y183 HydrophobicContact CG2-CD1 4.41Å; T181-Y183 HydrophobicContact CG2-CD2 4.23Å; T181-Y183 HydrophobicContact CG2-CE1 4.31Å; T181-Y183 HydrophobicContact CG2-CE2 4.14Å; T181-Y183 HydrophobicContact CG2-CG 4.34Å; T181-Y183 WeakPolarHBondContact CG2-O 3.49Å; T181-Y183 WeakPolarHBondContact OG1-CD1 3.36Å; T181-Y183 WeakPolarHBondContact OG1-CE1 3.16Å; T181-Y183 PolarHBondContact OG1-N 3.46Å; Y183-I185 HydrophobicContact CD2-CG1 4.12Å; Y183-I185 HydrophobicContact CE2-CD1 4.16Å; Y183-I185 HydrophobicContact CE2-CG1 3.73Å; Y183-I185 PolarHBondContact O-N 3.13Å |
| 184 | S | 67.3 | Low | 64.1 | Low | 88 Ų | 88 | 61.5 Ų | 61.5 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 122.7 | 176.2 | 53 | 0 | 0 | 0 | 0 | 111.2 | F83 | F83-S184 VanDerWaalsContact CE2-CA 3.44Å; F83-S184 VanDerWaalsContact CZ-CA 3.41Å; F83-S184 VanDerWaalsContact CZ-CB 3.46Å |
| 185 | I | 66.5 | Low | 60.9 | Low | 33 Ų | 33 | 66 Ų | 66 | 17% | 0.169 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 123.8 | 161.6 | -61.3 | 178.1 | 0 | 0 | 0 | 107.4 | I85 T145 Y183 Y205 V207 | I85-I185 HydrophobicContact CD1-CD1 3.49Å; I85-I185 VanDerWaalsContact CD1-CD1 3.49Å; I85-I185 HydrophobicContact CG1-CD1 4.18Å; T145-I185 HydrophobicContact CG2-CB 4.35Å; Y183-I185 HydrophobicContact CD2-CG1 4.12Å; Y183-I185 HydrophobicContact CE2-CD1 4.16Å; Y183-I185 HydrophobicContact CE2-CG1 3.73Å; Y183-I185 PolarHBondContact O-N 3.13Å; I185-Y205 HydrophobicContact CG2-CD1 3.91Å; I185-V207 WeakPolarHBondContact O-CG2 3.48Å |
| 186 | S | 59.8 | Low | 57.7 | Low | 81 Ų | 81 | 71 Ų | 71 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -81 | 159.7 | 172.4 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | V188 | S186-V188 VanDerWaalsContact C-N 3.26Å; S186-V188 PolarHBondContact O-N 3.07Å |
| 187 | D | 54.8 | Low | 54.6 | Low | 73 Ų | 73 | 74.9 Ų | 74.9 | 39% | 0.39 | 44% | 0.443 | S | S | . | . | trans | -69.8 | 81.9 | 170.2 | -61.8 | -89.2 | 0 | 0 | 0 | 110.6 | S189 V207 K212 | D187-S189 VanDerWaalsContact C-N 3.32Å; D187-S189 PolarHBondContact O-N 3.31Å; D187-V207 WeakPolarHBondContact OD1-CB 3.34Å; D187-V207 PolarHBondContact OD1-N 2.89Å; D187-K212 IonicContact OD1-NZ 3.9Å; D187-K212 PolarHBondContact OD1-NZ 2.91Å; D187-K212 IonicContact OD2-NZ 3.66Å; D187-K212 PolarHBondContact OD2-NZ 2.85Å | ||
| 188 | V | 46.4 | Very low | 51.7 | Low | 71 Ų | 71 | 83.3 Ų | 83.3 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | trans | -73.7 | 90 | 171.2 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | S186 I190 L191 | S186-V188 VanDerWaalsContact C-N 3.26Å; S186-V188 PolarHBondContact O-N 3.07Å; V188-I190 PolarHBondContact O-N 3.06Å; V188-I190 VanDerWaalsContact O-N 3.15Å; V188-L191 HydrophobicContact CG1-CB 3.83Å | ||
| 189 | S | 37 | Very low | 49.1 | Very low | 103 Ų | 103 | 87.3 Ų | 87.3 | 72% | 0.72 | 50% | 0.503 | S | S | * | . | trans | -62.3 | 110.3 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | D187 L191 | D187-S189 VanDerWaalsContact C-N 3.32Å; D187-S189 PolarHBondContact O-N 3.31Å; S189-L191 PolarHBondContact O-N 2.86Å | ||
| 190 | I | 36 | Very low | 46.9 | Very low | 153 Ų | 153 | 93.5 Ų | 93.5 | 79% | 0.785 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 40.6 | 58.9 | 163.7 | -39.8 | 179.4 | 0 | 0 | 0 | 113.6 | V188 G192 | V188-I190 PolarHBondContact O-N 3.06Å; V188-I190 VanDerWaalsContact O-N 3.15Å; I190-G192 VanDerWaalsContact C-N 3.34Å |
| 191 | L | 29 | Very low | 45.3 | Very low | 150 Ų | 150 | 95.1 Ų | 95.1 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | trans | -99.7 | 33.9 | 171.4 | -155.4 | 67.4 | 0 | 0 | 0 | 112.8 | V188 S189 | V188-L191 HydrophobicContact CG1-CB 3.83Å; S189-L191 PolarHBondContact O-N 2.86Å | ||
| 192 | G | 26.5 | Very low | 43.9 | Very low | 59 Ų | 59 | 100 Ų | 100 | 61% | 0.608 | 58% | 0.578 | S | S | * | * | trans | -88.3 | 92.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I190 P194 | I190-G192 VanDerWaalsContact C-N 3.34Å; G192-P194 WeakPolarHBondContact O-CD 3.33Å | ||
| 193 | N | 24.8 | Very low | 43.6 | Very low | 118 Ų | 118 | 100.2 Ų | 100.2 | 63% | 0.631 | 57% | 0.574 | S | S | * | * | trans | -69.3 | 119.8 | 174.9 | -165.3 | 14.4 | 0 | 0 | 0 | 108.8 | Q195 | N193-Q195 PolarHBondContact O-N 2.97Š| ||
| 194 | P | 27.3 | Very low | 44.1 | Very low | 116 Ų | 116 | 97 Ų | 97 | 75% | 0.753 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 32.4 | -167.6 | -20.1 | 34.5 | 0 | 0 | 0 | 116.3 | G192 | G192-P194 WeakPolarHBondContact O-CD 3.33Š|
| 195 | Q | 25.4 | Very low | 44.9 | Very low | 161 Ų | 161 | 97.2 Ų | 97.2 | 75% | 0.752 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.3 | 3.3 | -163.1 | -70.5 | -69.1 | -82.4 | 0 | 0 | 114.4 | N193 | N193-Q195 PolarHBondContact O-N 2.97Š|
| 196 | T | 27.3 | Very low | 45.9 | Very low | 106 Ų | 106 | 97.1 Ų | 97.1 | 65% | 0.65 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -141.5 | 119.6 | 178.3 | 50.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 197 | S | 27.5 | Very low | 47.1 | Very low | 82 Ų | 82 | 93.5 Ų | 93.5 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | trans | 66.6 | 121.6 | -172.5 | 74.9 | 0 | 0 | 0 | 0 | 115.6 | N199 N200 | S197-N199 PolarHBondContact O-N 2.85Å; S197-N200 PolarHBondContact OG-ND2 2.84Å; S197-N200 VanDerWaalsContact OG-ND2 3.16Å | ||
| 198 | E | 32.2 | Very low | 48.6 | Very low | 192 Ų | 192 | 90.1 Ų | 90.1 | 90% | 0.897 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 15.9 | -169 | -57.9 | 172.2 | 119.8 | 0 | 0 | 114.5 | ||
| 199 | N | 36.7 | Very low | 50.4 | Low | 84 Ų | 84 | 88.8 Ų | 88.8 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -5.4 | -159.5 | -70.2 | -48.9 | 0 | 0 | 0 | 115.6 | R54 S197 | R54-N199 VanDerWaalsContact NH1-CG 3.29Å; R54-N199 PolarHBondContact NH1-OD1 3.32Å; R54-N199 PolarHBondContact NH2-OD1 3.24Å; S197-N199 PolarHBondContact O-N 2.85Å |
| 200 | N | 44.4 | Very low | 52.6 | Low | 130 Ų | 130 | 83.9 Ų | 83.9 | 70% | 0.695 | 46% | 0.463 | S | S | * | . | trans | -96.7 | 119 | -168.4 | -65.4 | -14.5 | 0 | 0 | 0 | 112.5 | S197 | S197-N200 PolarHBondContact OG-ND2 2.84Å; S197-N200 VanDerWaalsContact OG-ND2 3.16Å | ||
| 201 | T | 52.3 | Low | 54.6 | Low | 36 Ų | 36 | 80 Ų | 80 | 22% | 0.221 | 45% | 0.448 | C | S | . | . | trans | -69.8 | 151.4 | 170.8 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | L52 E203 | L52-T201 HydrophobicContact CB-CG2 3.81Å; L52-T201 HydrophobicContact CD2-CG2 3.86Å; L52-T201 HydrophobicContact CG-CG2 4.45Å; L52-T201 WeakPolarHBondContact O-CG2 3.44Å; T201-E203 VanDerWaalsContact C-N 3.32Å; T201-E203 PolarHBondContact O-N 3.09Å | ||
| 202 | P | 55.5 | Low | 57.1 | Low | 102 Ų | 102 | 76 Ų | 76 | 66% | 0.662 | 42% | 0.424 | S | S | * | . | trans | -71.7 | 85.2 | 175.7 | 30.8 | -35.4 | 0 | 0 | 0 | 110.9 | I204 | P202-I204 PolarHBondContact O-N 2.75Š| ||
| 203 | E | 68.1 | Low | 59.7 | Low | 54 Ų | 54 | 73.2 Ų | 73.2 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | trans | -72.2 | 112.9 | 167.9 | -66.2 | -160 | 169.3 | 0 | 0 | 110 | R87 N143 T201 Y205 | R87-E203 IonicContact CZ-OE1 3.02Å; R87-E203 IonicContact NE-OE1 3.28Å; R87-E203 PolarHBondContact NE-OE1 3.24Å; R87-E203 IonicContact NE-OE2 2.96Å; R87-E203 IonicContact NH2-OE1 3.17Å; R87-E203 PolarHBondContact NH2-OE1 2.89Å; N143-E203 PolarHBondContact ND2-OE2 2.98Å; T201-E203 VanDerWaalsContact C-N 3.32Å; T201-E203 PolarHBondContact O-N 3.09Å; E203-Y205 HydrophobicContact CB-CE2 4.41Å | ||
| 204 | I | 82.3 | Confident | 62.4 | Low | 45 Ų | 45 | 73.1 Ų | 73.1 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.7 | 178.8 | -55.3 | -178.5 | 0 | 0 | 0 | 109.4 | L137 V140 W141 L142 N143 P202 | L137-I204 HydrophobicContact CD1-CD1 3.83Å; L137-I204 HydrophobicContact CD1-CG2 3.98Å; V140-I204 HydrophobicContact CB-CD1 4.49Å; V140-I204 HydrophobicContact CG1-CD1 3.75Å; V140-I204 HydrophobicContact CG1-CG1 4.06Å; W141-I204 PolarHBondContact O-N 2.79Å; W141-I204 VanDerWaalsContact O-N 3.15Å; L142-I204 CarbonylContact C-O 3.57Å; L142-I204 VanDerWaalsContact CA-O 3.32Å; L142-I204 WeakPolarHBondContact CA-O 3.37Å; L142-I204 HydrophobicContact CD2-CB 3.82Å; L142-I204 HydrophobicContact CD2-CG2 4.38Å; N143-I204 PolarHBondContact N-O 2.66Å; P202-I204 PolarHBondContact O-N 2.75Å |
| 205 | Y | 84.1 | Confident | 64.9 | Low | 93 Ų | 93 | 71.1 Ų | 71.1 | 37% | 0.365 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 125.4 | 169.9 | -71.5 | -96.8 | 0 | 0 | 0 | 109.3 | N143 I185 E203 | N143-Y205 HydrophobicContact CB-CD1 3.55Å; N143-Y205 HydrophobicContact CB-CE1 3.61Å; N143-Y205 HydrophobicContact CB-CG 4.06Å; N143-Y205 WeakPolarHBondContact ND2-CE2 3.49Å; N143-Y205 PolarHBondContact ND2-OH 3.41Å; I185-Y205 HydrophobicContact CG2-CD1 3.91Å; E203-Y205 HydrophobicContact CB-CE2 4.41Å |
| 206 | Q | 86.7 | Confident | 67.5 | Low | 30 Ų | 30 | 65.4 Ų | 65.4 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 115.3 | -179.4 | -174.3 | 171.5 | 19.6 | 0 | 0 | 110.7 | T135 N143 L144 T145 | T135-Q206 PolarHBondContact O-NE2 2.9Å; N143-Q206 PolarHBondContact O-N 3.26Å; N143-Q206 VanDerWaalsContact O-N 3.15Å; L144-Q206 WeakPolarHBondContact CA-O 3.35Å; T145-Q206 PolarHBondContact N-O 2.71Å |
| 207 | V | 84.8 | Confident | 69.9 | Low | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.5 | 178.1 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | T145 I185 D187 N209 K212 | T145-V207 CarbonylContact O-C 3.46Å; T145-V207 WeakPolarHBondContact O-CA 3.38Å; I185-V207 WeakPolarHBondContact O-CG2 3.48Å; D187-V207 WeakPolarHBondContact OD1-CB 3.34Å; D187-V207 PolarHBondContact OD1-N 2.89Å; V207-N209 WeakPolarHBondContact CG1-OD1 3.35Å; V207-K212 WeakPolarHBondContact O-CD 3.28Å; V207-K212 PolarHBondContact O-NZ 2.94Å |
| 208 | L | 87.1 | Confident | 71.9 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | trans | -95.7 | 96.6 | -178.9 | -175.6 | 68 | 0 | 0 | 0 | 111.3 | F115 L133 T135 V136 L144 T145 I146 I213 | F115-L208 HydrophobicContact CD1-CD2 3.8Å; F115-L208 HydrophobicContact CE1-CD2 3.86Å; L133-L208 HydrophobicContact CD2-CD2 3.75Å; T135-L208 WeakPolarHBondContact OG1-CD1 3.41Å; V136-L208 HydrophobicContact CG2-CD1 4.26Å; L144-L208 HydrophobicContact CD1-CB 4.06Å; T145-L208 PolarHBondContact O-N 3.49Å; I146-L208 HydrophobicContact CG1-CB 4.41Å; L208-I213 HydrophobicContact CD1-CD1 3.91Å; L208-I213 HydrophobicContact CD1-CG1 3.93Å; L208-I213 HydrophobicContact CG-CD1 4.17Å | ||
| 209 | N | 83.7 | Confident | 73.9 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | trans | -115.2 | 148.4 | 178.4 | -64.1 | -17 | 0 | 0 | 0 | 111.5 | V207 P211 K212 I213 | V207-N209 WeakPolarHBondContact CG1-OD1 3.35Å; N209-P211 VanDerWaalsContact C-CD 3.44Å; N209-P211 VanDerWaalsContact C-N 3.34Å; N209-K212 WeakPolarHBondContact O-CB 3.46Å; N209-K212 PolarHBondContact O-N 3.44Å; N209-I213 PolarHBondContact O-N 2.89Å | ||
| 210 | V | 82.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.3 | -38 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 114.1 | L122 F151 D154 L155 K212 I213 R214 | L122-V210 HydrophobicContact CD2-CG1 4.12Å; F151-V210 HydrophobicContact CB-CG2 4.5Å; F151-V210 HydrophobicContact CD1-CG2 4.03Å; F151-V210 HydrophobicContact CD2-CG2 3.67Å; F151-V210 HydrophobicContact CE1-CG2 4.06Å; F151-V210 HydrophobicContact CE2-CG2 3.69Å; F151-V210 HydrophobicContact CG-CG2 3.82Å; F151-V210 HydrophobicContact CZ-CG2 3.86Å; D154-V210 HydrophobicContact CB-CB 3.71Å; D154-V210 HydrophobicContact CB-CG1 4Å; D154-V210 HydrophobicContact CB-CG2 3.96Å; L155-V210 HydrophobicContact CD2-CG1 4Å; L155-V210 HydrophobicContact CD2-CG2 4.2Å; L155-V210 HydrophobicContact CG-CG2 4.09Å; V210-K212 VanDerWaalsContact C-N 3.34Å; V210-K212 PolarHBondContact O-N 2.85Å; V210-I213 WeakPolarHBondContact O-CB 3.49Å; V210-I213 PolarHBondContact O-N 2.91Å; V210-R214 HydrophobicContact CG1-CG 4.34Å; V210-R214 VanDerWaalsContact CG1-CZ 3.43Å; V210-R214 PolarHBondContact O-N 3.36Å |
| 211 | P | 78.4 | Confident | 76.8 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 175.2 | -25.4 | 36.7 | 0 | 0 | 0 | 113.5 | D154 N209 I213 L215 | D154-P211 WeakPolarHBondContact OD2-CD 3.18Å; N209-P211 VanDerWaalsContact C-CD 3.44Å; N209-P211 VanDerWaalsContact C-N 3.34Å; P211-I213 VanDerWaalsContact C-N 3.35Å; P211-L215 VanDerWaalsContact O-CB 3.27Å; P211-L215 WeakPolarHBondContact O-CB 3.47Å; P211-L215 PolarHBondContact O-N 3.15Å |
| 212 | K | 81 | Confident | 77.4 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.2 | -34 | 175.8 | -64.3 | -177.5 | -174.6 | 169.4 | 0 | 111.8 | D187 V207 N209 V210 N216 | D187-K212 IonicContact OD1-NZ 3.9Å; D187-K212 PolarHBondContact OD1-NZ 2.91Å; D187-K212 IonicContact OD2-NZ 3.66Å; D187-K212 PolarHBondContact OD2-NZ 2.85Å; V207-K212 WeakPolarHBondContact O-CD 3.28Å; V207-K212 PolarHBondContact O-NZ 2.94Å; N209-K212 WeakPolarHBondContact O-CB 3.46Å; N209-K212 PolarHBondContact O-N 3.44Å; V210-K212 VanDerWaalsContact C-N 3.34Å; V210-K212 PolarHBondContact O-N 2.85Å; K212-N216 PolarHBondContact O-N 3.09Å; K212-N216 PolarHBondContact O-ND2 2.83Å |
| 213 | I | 82.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -57.5 | 174 | -72.8 | 156.2 | 0 | 0 | 0 | 109.8 | L122 V131 P132 T135 F151 L208 N209 V210 P211 L215 N216 E217 | L122-I213 HydrophobicContact CB-CG2 4.28Å; V131-I213 HydrophobicContact CG1-CD1 3.74Å; P132-I213 HydrophobicContact CG-CG2 3.61Å; T135-I213 HydrophobicContact CG2-CG1 4.5Å; F151-I213 HydrophobicContact CE2-CD1 3.6Å; F151-I213 HydrophobicContact CZ-CD1 3.79Å; L208-I213 HydrophobicContact CD1-CD1 3.91Å; L208-I213 HydrophobicContact CD1-CG1 3.93Å; L208-I213 HydrophobicContact CG-CD1 4.17Å; N209-I213 PolarHBondContact O-N 2.89Å; V210-I213 WeakPolarHBondContact O-CB 3.49Å; V210-I213 PolarHBondContact O-N 2.91Å; P211-I213 VanDerWaalsContact C-N 3.35Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 PolarHBondContact O-N 3.45Å; I213-N216 PolarHBondContact O-N 2.9Å; I213-E217 PolarHBondContact O-N 3.5Å |
| 214 | R | 81.9 | Confident | 77.2 | Confident | 116 Ų | 116 | 65.7 Ų | 65.7 | 44% | 0.438 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.7 | -37.9 | -179.9 | -69.7 | 178.5 | 178.9 | 146.3 | 4.7 | 112.7 | L122 D154 V210 N216 E217 W218 | L122-R214 HydrophobicContact CD2-CG 4.31Å; D154-R214 PolarHBondContact O-NH1 2.86Å; D154-R214 VanDerWaalsContact O-NH1 3.11Å; D154-R214 PolarHBondContact O-NH2 3.34Å; V210-R214 HydrophobicContact CG1-CG 4.34Å; V210-R214 VanDerWaalsContact CG1-CZ 3.43Å; V210-R214 PolarHBondContact O-N 3.36Å; R214-N216 PolarHBondContact O-N 3.37Å; R214-E217 WeakPolarHBondContact CA-OE2 3.38Å; R214-E217 PolarHBondContact O-N 2.89Å; R214-W218 PolarHBondContact O-N 3.38Å |
| 215 | L | 79.3 | Confident | 75.6 | Confident | 74 Ų | 74 | 69 Ų | 69 | 39% | 0.387 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 175.4 | -177.2 | 58.9 | 0 | 0 | 0 | 113.2 | P211 I213 R219 | P211-L215 VanDerWaalsContact O-CB 3.27Å; P211-L215 WeakPolarHBondContact O-CB 3.47Å; P211-L215 PolarHBondContact O-N 3.15Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 PolarHBondContact O-N 3.45Å; L215-R219 VanDerWaalsContact O-CG 3.27Å; L215-R219 WeakPolarHBondContact O-CG 3.36Å; L215-R219 PolarHBondContact O-N 3.32Å; L215-R219 VanDerWaalsContact O-N 3.07Å |
| 216 | N | 78.5 | Confident | 73.9 | Confident | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.8 | -23.7 | 179.1 | -75.7 | -63.1 | 0 | 0 | 0 | 113.5 | T135 K212 I213 R214 R219 R220 | T135-N216 HydrophobicContact CG2-CB 3.57Å; T135-N216 WeakPolarHBondContact CG2-ND2 3.36Å; K212-N216 PolarHBondContact O-N 3.09Å; K212-N216 PolarHBondContact O-ND2 2.83Å; I213-N216 PolarHBondContact O-N 2.9Å; R214-N216 PolarHBondContact O-N 3.37Å; N216-R219 WeakPolarHBondContact OD1-CD 3.26Å; N216-R219 PolarHBondContact OD1-NH1 3.43Å; N216-R220 WeakPolarHBondContact O-CG 3.12Å; N216-R220 PolarHBondContact O-N 3.01Å |
| 217 | E | 77.9 | Confident | 71.8 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 164.7 | -66.9 | 168.4 | 161.9 | 0 | 0 | 110.4 | S121 L122 P132 I213 R214 R219 R220 A221 | S121-E217 WeakPolarHBondContact CA-OE1 3.14Å; L122-E217 WeakPolarHBondContact CB-OE1 3.41Å; L122-E217 PolarHBondContact N-OE1 3.48Å; P132-E217 WeakPolarHBondContact CG-OE1 3.43Å; I213-E217 PolarHBondContact O-N 3.5Å; R214-E217 WeakPolarHBondContact CA-OE2 3.38Å; R214-E217 PolarHBondContact O-N 2.89Å; E217-R219 PolarHBondContact O-N 3.13Å; E217-R220 PolarHBondContact O-N 2.89Å; E217-A221 PolarHBondContact O-N 3.37Å |
| 218 | W | 69.4 | Low | 69.7 | Low | 145 Ų | 145 | 80.5 Ų | 80.5 | 55% | 0.549 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 178.6 | -167.5 | 75.7 | 0 | 0 | 0 | 112.5 | R214 R220 A221 E222 | R214-W218 PolarHBondContact O-N 3.38Å; W218-R220 PolarHBondContact O-N 2.8Å; W218-A221 PolarHBondContact O-N 3.16Å; W218-E222 PolarHBondContact O-N 3.24Å |
| 219 | R | 75.1 | Confident | 67.4 | Low | 116 Ų | 116 | 83.1 Ų | 83.1 | 44% | 0.438 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -27.6 | 171.8 | -72 | 166.6 | 179.1 | 175.2 | -4.6 | 113.8 | L215 N216 E217 R223 | L215-R219 VanDerWaalsContact O-CG 3.27Å; L215-R219 WeakPolarHBondContact O-CG 3.36Å; L215-R219 PolarHBondContact O-N 3.32Å; L215-R219 VanDerWaalsContact O-N 3.07Å; N216-R219 WeakPolarHBondContact OD1-CD 3.26Å; N216-R219 PolarHBondContact OD1-NH1 3.43Å; E217-R219 PolarHBondContact O-N 3.13Å; R219-R223 WeakPolarHBondContact O-CG 3.26Å; R219-R223 PolarHBondContact O-N 3Å |
| 220 | R | 72.1 | Confident | 65.2 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -79.7 | -37.5 | 176.4 | -82.6 | -171.5 | -77.2 | 108.8 | -6.4 | 111.7 | Q120 S134 N216 E217 W218 R223 I224 | Q120-R220 VanDerWaalsContact O-CZ 3.24Å; Q120-R220 PolarHBondContact O-NH1 3.41Å; Q120-R220 PolarHBondContact O-NH2 3.3Å; S134-R220 PolarHBondContact OG-NH2 2.96Å; N216-R220 WeakPolarHBondContact O-CG 3.12Å; N216-R220 PolarHBondContact O-N 3.01Å; E217-R220 PolarHBondContact O-N 2.89Å; W218-R220 PolarHBondContact O-N 2.8Å; R220-R223 PolarHBondContact O-N 3.02Å; R220-I224 WeakPolarHBondContact O-CG1 3.5Å; R220-I224 PolarHBondContact O-N 3.41Å |
| 221 | A | 70.6 | Confident | 63.1 | Low | 45 Ų | 45 | 96.8 Ų | 96.8 | 37% | 0.372 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.4 | -51.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E217 W218 R223 I224 D225 | E217-A221 PolarHBondContact O-N 3.37Å; W218-A221 PolarHBondContact O-N 3.16Å; A221-R223 PolarHBondContact O-N 2.94Å; A221-R223 VanDerWaalsContact O-N 3.11Å; A221-I224 WeakPolarHBondContact O-CA 3.46Å; A221-I224 WeakPolarHBondContact O-CB 3.46Å; A221-I224 PolarHBondContact O-N 2.77Å; A221-D225 PolarHBondContact O-N 3.23Å |
| 222 | E | 64.1 | Low | 61.1 | Low | 63 Ų | 63 | 96.4 Ų | 96.4 | 29% | 0.294 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -54.6 | -35.6 | 178.3 | -169.8 | -168.2 | 174.9 | 0 | 0 | 112.7 | W218 L226 R281 | W218-E222 PolarHBondContact O-N 3.24Å; E222-L226 HydrophobicContact CG-CD1 4.3Å; E222-L226 WeakPolarHBondContact O-CB 3.46Å; E222-L226 WeakPolarHBondContact O-CD1 3.4Å; E222-L226 WeakPolarHBondContact O-CG 3.28Å; E222-L226 PolarHBondContact O-N 3.24Å; E222-L226 VanDerWaalsContact O-N 3.17Å; E222-R281 IonicContact OE1-CZ 2.86Å; E222-R281 IonicContact OE1-NE 3.18Å; E222-R281 IonicContact OE1-NH2 2.67Å; E222-R281 PolarHBondContact OE1-NH2 3.14Å |
| 223 | R | 59.3 | Low | 58.9 | Low | 187 Ų | 187 | 102.3 Ų | 102.3 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.3 | -26.1 | 176.1 | -76.6 | 179.2 | -178.4 | -165.1 | 1.2 | 114.4 | R219 R220 A221 R227 | R219-R223 WeakPolarHBondContact O-CG 3.26Å; R219-R223 PolarHBondContact O-N 3Å; R220-R223 PolarHBondContact O-N 3.02Å; A221-R223 PolarHBondContact O-N 2.94Å; A221-R223 VanDerWaalsContact O-N 3.11Å; R223-R227 PolarHBondContact O-N 3.06Å |
| 224 | I | 59.1 | Low | 56.8 | Low | 118 Ų | 118 | 109.6 Ų | 109.6 | 61% | 0.605 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -75.9 | -46.9 | 175.4 | -68.6 | 162.8 | 0 | 0 | 0 | 108.8 | R220 A221 L226 R227 G228 | R220-I224 WeakPolarHBondContact O-CG1 3.5Å; R220-I224 PolarHBondContact O-N 3.41Å; A221-I224 WeakPolarHBondContact O-CA 3.46Å; A221-I224 WeakPolarHBondContact O-CB 3.46Å; A221-I224 PolarHBondContact O-N 2.77Å; I224-L226 VanDerWaalsContact C-N 3.26Å; I224-L226 PolarHBondContact O-N 2.95Å; I224-R227 CarbonylContact O-C 3.58Å; I224-R227 PolarHBondContact O-N 2.88Å; I224-G228 PolarHBondContact O-N 2.96Å |
| 225 | D | 48.9 | Very low | 54.4 | Low | 116 Ų | 116 | 111.9 Ų | 111.9 | 62% | 0.62 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56 | -42.6 | 175.6 | -59.4 | -27.1 | 0 | 0 | 0 | 111.2 | A221 R227 G228 S229 | A221-D225 PolarHBondContact O-N 3.23Å; D225-R227 VanDerWaalsContact C-N 3.31Å; D225-R227 PolarHBondContact O-N 3.18Å; D225-G228 PolarHBondContact O-N 2.83Å; D225-S229 WeakPolarHBondContact O-CB 3.5Å; D225-S229 PolarHBondContact O-N 3.23Å |
| 226 | L | 49.3 | Very low | 52.2 | Low | 93 Ų | 93 | 115.8 Ų | 115.8 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.3 | -19.7 | 176.2 | -73 | 168.9 | 0 | 0 | 0 | 114.7 | E222 I224 | E222-L226 HydrophobicContact CG-CD1 4.3Å; E222-L226 WeakPolarHBondContact O-CB 3.46Å; E222-L226 WeakPolarHBondContact O-CD1 3.4Å; E222-L226 WeakPolarHBondContact O-CG 3.28Å; E222-L226 PolarHBondContact O-N 3.24Å; E222-L226 VanDerWaalsContact O-N 3.17Å; I224-L226 VanDerWaalsContact C-N 3.26Å; I224-L226 PolarHBondContact O-N 2.95Å |
| 227 | R | 43.5 | Very low | 49.9 | Very low | 211 Ų | 211 | 123.7 Ų | 123.7 | 80% | 0.796 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -95.3 | -16.5 | 173.9 | -105.4 | -177.6 | 178.2 | -97 | -0.5 | 113.8 | R223 I224 D225 | R223-R227 PolarHBondContact O-N 3.06Å; I224-R227 CarbonylContact O-C 3.58Å; I224-R227 PolarHBondContact O-N 2.88Å; D225-R227 VanDerWaalsContact C-N 3.31Å; D225-R227 PolarHBondContact O-N 3.18Å |
| 228 | G | 40.4 | Very low | 47.7 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.7 | -5.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I224 D225 | I224-G228 PolarHBondContact O-N 2.96Å; D225-G228 PolarHBondContact O-N 2.83Å |
| 229 | S | 37.9 | Very low | 45.9 | Very low | 58 Ų | 58 | 125 Ų | 125 | 41% | 0.406 | 64% | 0.638 | S | S | . | * | trans | -99.4 | -2.1 | -170.6 | -175.5 | 0 | 0 | 0 | 0 | 115.2 | D225 D231 S232 | D225-S229 WeakPolarHBondContact O-CB 3.5Å; D225-S229 PolarHBondContact O-N 3.23Å; S229-D231 PolarHBondContact O-N 3.09Å; S229-S232 PolarHBondContact O-N 3.3Å; S229-S232 PolarHBondContact O-OG 2.69Å | ||
| 230 | E | 38.6 | Very low | 43.8 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -18.9 | -174.3 | -62.9 | -166.8 | 126.8 | 0 | 0 | 113.4 | ||
| 231 | D | 36.9 | Very low | 41.7 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 90% | 0.904 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 0.1 | 175.2 | -73 | -46.1 | 0 | 0 | 0 | 114.8 | S229 | S229-D231 PolarHBondContact O-N 3.09Š|
| 232 | S | 37 | Very low | 39.8 | Very low | 64 Ų | 64 | 136 Ų | 136 | 45% | 0.448 | 70% | 0.7 | S | S | . | * | trans | -125.6 | 94.3 | -175.8 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | S229 D234 | S229-S232 PolarHBondContact O-N 3.3Å; S229-S232 PolarHBondContact O-OG 2.69Å; S232-D234 PolarHBondContact O-N 2.86Å | ||
| 233 | K | 35.3 | Very low | 38 | Very low | 191 Ų | 191 | 140 Ų | 140 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -9.2 | -172.4 | -75.7 | 178.9 | 176.4 | 170.1 | 0 | 116.4 | ||
| 234 | D | 36.8 | Very low | 36.8 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 3.6 | -159.9 | -66.8 | -59.7 | 0 | 0 | 0 | 117.3 | S232 | S232-D234 PolarHBondContact O-N 2.86Š|
| 235 | L | 33.3 | Very low | 35.5 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -112.9 | 31.8 | -173.7 | -71.7 | 177.9 | 0 | 0 | 0 | 116.3 | K237 | L235-K237 VanDerWaalsContact C-N 3.33Å; L235-K237 PolarHBondContact O-N 2.82Å | ||
| 236 | L | 31.7 | Very low | 34.5 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -88.4 | 51.2 | 171.1 | -96.7 | 170.2 | 0 | 0 | 0 | 114.3 | V238 | L236-V238 VanDerWaalsContact C-N 3.35Å; L236-V238 HydrophobicContact CD2-CG2 3.92Å; L236-V238 PolarHBondContact O-N 3.43Å | ||
| 237 | K | 30.8 | Very low | 33.8 | Very low | 206 Ų | 206 | 141 Ų | 141 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | -87.7 | 71.2 | 167 | -92.1 | -176.6 | 176.3 | 173 | 0 | 111.9 | L235 S239 | L235-K237 VanDerWaalsContact C-N 3.33Å; L235-K237 PolarHBondContact O-N 2.82Å; K237-S239 PolarHBondContact O-N 2.96Å | ||
| 238 | V | 31.6 | Very low | 33 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 66% | 0.655 | 76% | 0.764 | S | S | * | * | trans | -66.4 | 103.8 | 169.5 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | L236 K240 | L236-V238 VanDerWaalsContact C-N 3.35Å; L236-V238 HydrophobicContact CD2-CG2 3.92Å; L236-V238 PolarHBondContact O-N 3.43Å; V238-K240 VanDerWaalsContact C-N 3.32Å; V238-K240 PolarHBondContact O-N 2.92Å | ||
| 239 | S | 31.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -72.1 | 82.4 | 177 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | K237 L241 | K237-S239 PolarHBondContact O-N 2.96Å; S239-L241 PolarHBondContact O-N 3.13Å; S239-L241 VanDerWaalsContact O-N 3.12Å | ||
| 240 | K | 30.5 | Very low | 32 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -60.9 | 106.9 | 166.1 | -68.6 | 176.6 | 177.9 | 175.9 | 0 | 109.6 | V238 | V238-K240 VanDerWaalsContact C-N 3.32Å; V238-K240 PolarHBondContact O-N 2.92Å | ||
| 241 | L | 29.1 | Very low | 31.7 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -110.3 | 98 | 156.7 | -101.2 | 77.4 | 0 | 0 | 0 | 108.9 | S239 | S239-L241 PolarHBondContact O-N 3.13Å; S239-L241 VanDerWaalsContact O-N 3.12Å | ||
| 242 | T | 30.9 | Very low | 31.2 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -90.9 | 121 | 170.5 | 42.7 | 0 | 0 | 0 | 0 | 110 | V244 | T242-V244 PolarHBondContact O-N 2.92Š| ||
| 243 | T | 26.2 | Very low | 30.8 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -67.4 | 109.4 | -179.8 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 244 | V | 34.3 | Very low | 30.5 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -145.9 | 136.4 | 168.8 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | T242 | T242-V244 PolarHBondContact O-N 2.92Š| ||
| 245 | G | 30.6 | Very low | 30.1 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 76.3 | 91.5 | 142 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 246 | N | 27.7 | Very low | 30 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -19.7 | 160.3 | 148.8 | -60.7 | -21 | 0 | 0 | 0 | 119.5 | ||||
| 247 | Q | 34.9 | Very low | 29.9 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 92.8 | 112.8 | 160.1 | -64.8 | 175.7 | 7.8 | 0 | 0 | 118.3 | ||||
| 248 | S | 26.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 22 | 134.1 | 140.6 | 56 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 249 | C | 29.3 | Very low | 30.1 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | -159.7 | 174.4 | 58.4 | -149.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 250 | T | 27.5 | Very low | 30.1 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -71.2 | 144.9 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 251 | K | 32.9 | Very low | 30 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | -167.6 | 146.4 | 115.4 | -102.4 | 156.7 | -172.8 | 178.1 | 0 | 112.7 | |||||
| 252 | S | 26 | Very low | 30.1 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | trans | -79.5 | 160.3 | 175.8 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 253 | F | 30.4 | Very low | 29.7 | Very low | 211 Ų | 211 | 136.1 Ų | 136.1 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | -147 | 163.2 | 125.1 | -100 | -68.9 | 0 | 0 | 0 | 109.6 | |||||
| 254 | Q | 27.5 | Very low | 29.9 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -125.5 | 167.4 | -157.5 | -59 | 166.8 | -91.5 | 0 | 0 | 113.6 | ||||
| 255 | S | 28.1 | Very low | 29.5 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | 100.5 | 149 | 128.7 | 76.5 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 256 | S | 32.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 82.8 | 137.8 | 163.3 | 75.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 257 | S | 29.7 | Very low | 29.4 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | cis | -167.9 | 176.7 | -26.3 | -158.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 258 | V | 33.8 | Very low | 29.1 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | trans | 79 | 101.8 | 160.4 | -175.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 259 | E | 31.4 | Very low | 29.2 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 51.6 | 142.3 | 130.3 | -60.8 | 159.2 | -169.2 | 0 | 0 | 121.7 | ||||
| 260 | G | 31.7 | Very low | 29.3 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | cis | -164 | -175.1 | 7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 261 | E | 29.2 | Very low | 29.3 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -56.1 | 165.2 | -169.4 | -48.4 | -169.1 | 146.3 | 0 | 0 | 115.7 | ||||
| 262 | K | 30.1 | Very low | 29.2 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | cis | -160.8 | 146.6 | 27.5 | -151.7 | 166.1 | -163.9 | 114.8 | 0 | 112.6 | ||||
| 263 | C | 22.6 | Very low | 29.3 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -100.1 | 140.2 | 179.7 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 264 | I | 31.2 | Very low | 29.2 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | -134.9 | 141.8 | 151 | -61.1 | -175.3 | 0 | 0 | 0 | 108.1 | ||||
| 265 | S | 26.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -113.7 | 146.3 | -168.9 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 266 | G | 26.1 | Very low | 29.1 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | 165.8 | 106.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 267 | G | 28.8 | Very low | 28.8 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 162.3 | 107 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N269 | G267-N269 PolarHBondContact O-N 2.97Š| ||
| 268 | Q | 29.2 | Very low | 28.6 | Very low | 203 Ų | 203 | 149.7 Ų | 149.7 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 118.5 | -173 | -67.1 | -178.6 | -10.1 | 0 | 0 | 112.5 | ||||
| 269 | N | 27.8 | Very low | 28.3 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -100 | 109.6 | 166.9 | -91.7 | -52.9 | 0 | 0 | 0 | 110.4 | G267 | G267-N269 PolarHBondContact O-N 2.97Š| ||
| 270 | S | 32.1 | Very low | 28.1 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 132.9 | 177.2 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | R272 | S270-R272 PolarHBondContact O-N 2.83Š| ||
| 271 | A | 28.6 | Very low | 27.8 | Very low | 85 Ų | 85 | 151.1 Ų | 151.1 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -83.4 | 109.6 | -159.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K273 | A271-K273 PolarHBondContact O-N 3.15Š| ||
| 272 | R | 29.3 | Very low | 27.6 | Very low | 247 Ų | 247 | 149 Ų | 149 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -68.7 | 91.4 | 160.8 | -84.2 | -175.2 | 168.5 | 175.7 | -2.4 | 110.6 | S270 R274 | S270-R272 PolarHBondContact O-N 2.83Å; R272-R274 PolarHBondContact O-N 3.3Å | ||
| 273 | K | 28.7 | Very low | 27.4 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -60.2 | 103.3 | 169.6 | -71.3 | -177 | 176.7 | 177.3 | 0 | 110.5 | A271 I275 | A271-K273 PolarHBondContact O-N 3.15Å; K273-I275 PolarHBondContact O-N 2.85Å | ||
| 274 | R | 27.9 | Very low | 27.6 | Very low | 211 Ų | 211 | 146.9 Ų | 146.9 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -73.1 | 114.4 | 166.5 | -73.7 | -178.1 | 176.2 | 166.2 | -1.6 | 109 | R272 F276 | R272-R274 PolarHBondContact O-N 3.3Å; R274-F276 HydrophobicContact CB-CD2 4.49Å; R274-F276 HydrophobicContact CB-CE2 4.14Å | ||
| 275 | I | 29.3 | Very low | 27.3 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | -84.3 | 113.8 | 168.4 | -60.5 | 174.4 | 0 | 0 | 0 | 107.5 | K273 | K273-I275 PolarHBondContact O-N 2.85Š| ||
| 276 | F | 24.2 | Very low | 27.3 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 77% | 0.772 | 78% | 0.775 | S | S | * | * | trans | -84.9 | 119.7 | 170.6 | -74.2 | -92 | 0 | 0 | 0 | 109.4 | R274 | R274-F276 HydrophobicContact CB-CD2 4.49Å; R274-F276 HydrophobicContact CB-CE2 4.14Å | ||
| 277 | L | 27.2 | Very low | 27.4 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 63% | 0.634 | 77% | 0.772 | S | S | * | * | trans | -96.6 | 99.2 | 174.4 | -96.7 | 160.1 | 0 | 0 | 0 | 109.8 | I279 | L277-I279 PolarHBondContact O-N 2.96Š| ||
| 278 | Q | 24.9 | Very low | 27.3 | Very low | 175 Ų | 175 | 154.4 Ų | 154.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -84.3 | 97.6 | -179.7 | -173.8 | 173.2 | -11.3 | 0 | 0 | 110.6 | ||||
| 279 | I | 28.6 | Very low | 27.3 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 57% | 0.569 | 77% | 0.767 | S | S | * | * | trans | -93.2 | 110.6 | 179 | -59 | 175.4 | 0 | 0 | 0 | 109.5 | L277 R281 | L277-I279 PolarHBondContact O-N 2.96Å; I279-R281 PolarHBondContact O-N 3.13Å | ||
| 280 | N | 25.4 | Very low | 27.3 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | trans | -69.8 | 118.2 | 174.1 | -69.8 | -28.6 | 0 | 0 | 0 | 110.4 | ||||
| 281 | R | 26.9 | Very low | 27.2 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 65% | 0.653 | 76% | 0.761 | S | S | * | * | trans | -72.9 | 127.6 | 169.4 | -63.4 | -176.4 | -176.1 | -176.5 | 1.4 | 109.5 | E222 I279 | E222-R281 IonicContact OE1-CZ 2.86Å; E222-R281 IonicContact OE1-NE 3.18Å; E222-R281 IonicContact OE1-NH2 2.67Å; E222-R281 PolarHBondContact OE1-NH2 3.14Å; I279-R281 PolarHBondContact O-N 3.13Å | ||
| 282 | V | 24.4 | Very low | 27.3 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | trans | -104.8 | 113.5 | 164.9 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 283 | C | 25.9 | Very low | 27.3 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | trans | -83.7 | 123.7 | 174.5 | -60.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 284 | I | 26.5 | Very low | 27.5 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 80% | 0.795 | 76% | 0.76 | S | S | * | * | trans | -96 | 109.1 | 165.1 | -60.6 | 175.3 | 0 | 0 | 0 | 106.2 | E286 | I284-E286 PolarHBondContact O-N 2.89Š| ||
| 285 | N | 25.9 | Very low | 27.7 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -83.1 | 100.2 | 177.2 | -73.1 | 6.5 | 0 | 0 | 0 | 109.6 | Q287 | N285-Q287 PolarHBondContact O-N 2.85Š| ||
| 286 | E | 26.8 | Very low | 28 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -71.3 | 119.3 | 158.4 | -66.8 | -167.2 | 150.7 | 0 | 0 | 108.5 | I284 S288 | I284-E286 PolarHBondContact O-N 2.89Å; E286-S288 PolarHBondContact O-N 2.94Å | ||
| 287 | Q | 28.2 | Very low | 28.5 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -83.8 | 100.7 | -172.6 | -65.5 | -176.6 | 9.8 | 0 | 0 | 110.9 | N285 S289 | N285-Q287 PolarHBondContact O-N 2.85Å; Q287-S289 PolarHBondContact O-N 3.34Å; Q287-S289 VanDerWaalsContact O-N 3.15Å | ||
| 288 | S | 25.4 | Very low | 28.8 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -71.7 | 99.6 | 165 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | E286 | E286-S288 PolarHBondContact O-N 2.94Š| ||
| 289 | S | 29.8 | Very low | 29.3 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -93.7 | 128.1 | 170.6 | 53.9 | 0 | 0 | 0 | 0 | 111 | Q287 | Q287-S289 PolarHBondContact O-N 3.34Å; Q287-S289 VanDerWaalsContact O-N 3.15Å | ||
| 290 | T | 27.1 | Very low | 29.6 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -119.9 | 129 | -176.5 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 291 | G | 29.4 | Very low | 29.9 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 111.1 | 144.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 292 | S | 32 | Very low | 30.2 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | -157.8 | 131.4 | -2.8 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 293 | S | 28.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 18.6 | 108.8 | 153.6 | -169.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 294 | K | 33.2 | Very low | 31.1 | Very low | 201 Ų | 201 | 134.7 Ų | 134.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | -173.5 | 157.1 | 113.7 | -98.8 | 164.9 | -175.8 | 178.8 | 0 | 113 | |||||
| 295 | V | 31.7 | Very low | 31.5 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -150.7 | 160.5 | -168.3 | 167 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 296 | P | 37 | Very low | 31.4 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | cis | -105.5 | -141.4 | -6 | 19.9 | 5.1 | 0 | 0 | 0 | 110.5 | ||||
| 297 | T | 32.9 | Very low | 31.4 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | cis | -164.4 | 159 | 12.1 | -28.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 298 | G | 33.4 | Very low | 31.3 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 127.2 | 110.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 299 | P | 35.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -103.3 | 155.5 | 179.6 | 37.9 | -32.7 | 0 | 0 | 0 | 114.1 | ||||
| 300 | N | 35.7 | Very low | 31 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -161.8 | 92.1 | 154.7 | -106.6 | -32.6 | 0 | 0 | 0 | 114.6 | ||||
| 301 | V | 32.7 | Very low | 30.9 | Very low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | 32.8 | 144.1 | 133.1 | -171.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 302 | S | 31.8 | Very low | 30.6 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 92 | 140.1 | 166.3 | 86.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 303 | K | 36.6 | Very low | 30.4 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | cis | -133.2 | 175 | 13.4 | -72.6 | 180 | 179.9 | 178.6 | 0 | 114.1 | ||||
| 304 | D | 33.2 | Very low | 30.2 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -68.6 | 171 | -172.5 | -75.6 | -78.8 | 0 | 0 | 0 | 118.4 | ||||
| 305 | P | 34.5 | Very low | 29.9 | Very low | 102 Ų | 102 | 129 Ų | 129 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | trans | -112.3 | -174.5 | -170.6 | 39.8 | -28.3 | 0 | 0 | 0 | 115.6 | ||||
| 306 | R | 25.1 | Very low | 29.6 | Very low | 228 Ų | 228 | 133.6 Ų | 133.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 108.3 | 132.5 | 160.3 | -58.9 | 177.5 | -171.6 | -166.4 | 2.7 | 117.3 | ||||
| 307 | S | 26.1 | Very low | 29.1 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | 45.7 | 127.4 | 147.6 | 58.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 308 | F | 26.4 | Very low | 28.7 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | -158.7 | -169.7 | 71.2 | -111.5 | -81.2 | 0 | 0 | 0 | 114.8 | |||||
| 309 | S | 24.8 | Very low | 28.3 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 152.2 | -160.8 | 53.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 310 | A | 23.6 | Very low | 27.8 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | 51.5 | 111.5 | 139 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 311 | G | 25 | Very low | 27.4 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -150.5 | 115.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 312 | A | 24 | Very low | 27.1 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -83.6 | 119.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 313 | I | 27.5 | Very low | 26.7 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -125.6 | 111.3 | 170 | -61.1 | -178.7 | 0 | 0 | 0 | 108.9 | ||||
| 314 | S | 23.4 | Very low | 26.2 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -72.8 | 125.5 | 170.2 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 315 | N | 28.4 | Very low | 25.8 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -123.5 | 109.6 | 169.7 | -92.6 | -38.8 | 0 | 0 | 0 | 110.3 | ||||
| 316 | R | 24.1 | Very low | 25.6 | Very low | 227 Ų | 227 | 137 Ų | 137 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -67.7 | 128.2 | 166.9 | -70.4 | 173.9 | 168.9 | 179.8 | -4.1 | 109.2 | ||||
| 317 | L | 27.6 | Very low | 25.6 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -141.8 | 109 | 154.7 | -108.4 | 145.5 | 0 | 0 | 0 | 108.6 | ||||
| 318 | T | 23.7 | Very low | 25.6 | Very low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -107.5 | 145.4 | -175.1 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 319 | S | 24.2 | Very low | 25.5 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 75.9 | 155.7 | 164.6 | 82.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 320 | T | 26.5 | Very low | 25.5 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 71.1 | 134.7 | -177.8 | 70.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 321 | A | 26.3 | Very low | 25.6 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | cis | -158.7 | 126 | -18.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 322 | K | 26.1 | Very low | 25.8 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | 65.8 | 146.4 | 131.4 | -63.6 | -179.8 | 178.4 | 178.4 | 0 | 122 | ||||
| 323 | N | 24.6 | Very low | 26 | Very low | 133 Ų | 133 | 151 Ų | 151 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 78.6 | 96.5 | 155.3 | -57.4 | -15.8 | 0 | 0 | 0 | 119.2 | ||||
| 324 | F | 25.6 | Very low | 26 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | -166.6 | 79.7 | 112.4 | -94.8 | -61.1 | 0 | 0 | 0 | 110.4 | |||||
| 325 | T | 24.9 | Very low | 26.4 | Very low | 136 Ų | 136 | 152 Ų | 152 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -118 | 115.2 | 176.8 | 35.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 326 | S | 30 | Very low | 26.5 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -113 | 72.2 | 177.8 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 327 | L | 24.7 | Very low | 27.2 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 32 | 101 | 147.4 | -63 | 168.3 | 0 | 0 | 0 | 118.7 | ||||
| 328 | L | 26.7 | Very low | 27.6 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | -133.5 | 122 | 122.9 | -77 | -177.4 | 0 | 0 | 0 | 107.4 | |||||
| 329 | Y | 23.1 | Very low | 28.2 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -110.7 | 113.9 | -172.2 | -167.8 | -91.8 | 0 | 0 | 0 | 109.2 | ||||
| 330 | Y | 25 | Very low | 28.6 | Very low | 206 Ų | 206 | 145 Ų | 145 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 137.6 | 161.7 | -77.6 | -83.4 | 0 | 0 | 0 | 108.1 | E332 | Y330-E332 PolarHBondContact O-N 2.8Š|
| 331 | P | 27.1 | Very low | 29 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 121.9 | 179.3 | 29.6 | -33 | 0 | 0 | 0 | 110.3 | ||
| 332 | E | 28.2 | Very low | 29.7 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 89% | 0.888 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 124.6 | 166.3 | -67.2 | -168.4 | 147.3 | 0 | 0 | 109.5 | Y330 | Y330-E332 PolarHBondContact O-N 2.8Š|
| 333 | E | 29.3 | Very low | 29.9 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 135.5 | 171.8 | -69.8 | -179 | 162.5 | 0 | 0 | 109.8 | I335 | E333-I335 PolarHBondContact O-N 3.15Š|
| 334 | N | 26.2 | Very low | 30.5 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 87% | 0.872 | 71% | 0.705 | S | S | * | * | trans | -82 | 85.7 | -165.5 | -167.3 | 12.5 | 0 | 0 | 0 | 112.1 | ||||
| 335 | I | 31.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | trans | -87.3 | 128.7 | -176.3 | -60.9 | 176.4 | 0 | 0 | 0 | 111.5 | E333 H339 | E333-I335 PolarHBondContact O-N 3.15Å; I335-H339 HydrophobicContact CG2-CB 3.88Å | ||
| 336 | N | 31.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | -58.5 | 146.6 | -171.1 | -72.6 | -50.9 | 0 | 0 | 0 | 115.2 | N338 H339 | N336-N338 PolarHBondContact O-N 2.67Å; N336-H339 PolarHBondContact O-N 2.87Å | ||
| 337 | S | 37.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -52.6 | -25.2 | -171.7 | 53.4 | 0 | 0 | 0 | 0 | 116.7 | H339 F340 | S337-H339 VanDerWaalsContact C-N 3.31Å; S337-H339 PolarHBondContact O-N 2.85Å; S337-F340 PolarHBondContact O-N 3.39Å |
| 338 | N | 36.2 | Very low | 32.9 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.8 | -30.9 | 177.5 | -69.3 | -14.6 | 0 | 0 | 0 | 112.7 | N336 F340 K341 | N336-N338 PolarHBondContact O-N 2.67Å; N338-F340 VanDerWaalsContact C-N 3.35Å; N338-F340 PolarHBondContact O-N 3.18Å; N338-K341 PolarHBondContact O-N 3.09Å |
| 339 | H | 36.5 | Very low | 33.4 | Very low | 130 Ų | 130 | 128 Ų | 128 | 60% | 0.602 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.8 | -33.3 | -178.6 | -138.2 | -76 | 0 | 0 | 0 | 112.2 | I335 N336 S337 K341 V342 M343 | I335-H339 HydrophobicContact CG2-CB 3.88Å; N336-H339 PolarHBondContact O-N 2.87Å; S337-H339 VanDerWaalsContact C-N 3.31Å; S337-H339 PolarHBondContact O-N 2.85Å; H339-K341 VanDerWaalsContact C-N 3.3Å; H339-K341 PolarHBondContact O-N 3.18Å; H339-V342 PolarHBondContact O-N 2.94Å; H339-M343 WeakPolarHBondContact O-CB 3.45Å; H339-M343 PolarHBondContact O-N 3.27Å; H339-M343 VanDerWaalsContact O-N 3.13Å |
| 340 | F | 33.8 | Very low | 34.2 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.8 | -34.8 | 175.5 | -111.4 | -82.6 | 0 | 0 | 0 | 112.7 | S337 N338 M343 N344 | S337-F340 PolarHBondContact O-N 3.39Å; N338-F340 VanDerWaalsContact C-N 3.35Å; N338-F340 PolarHBondContact O-N 3.18Å; F340-M343 HydrophobicContact CD1-CE 4.14Å; F340-M343 HydrophobicContact CE1-CE 4.11Å; F340-M343 HydrophobicContact CG-CE 4.4Å; F340-M343 HydrophobicContact CZ-CE 4.33Å; F340-N344 WeakPolarHBondContact O-CB 3.04Å; F340-N344 VanDerWaalsContact O-CG 3.3Å; F340-N344 PolarHBondContact O-N 3.19Å |
| 341 | K | 34.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 68% | 0.683 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.9 | -40.3 | -178.6 | -157 | 177.1 | -174.1 | -176.9 | 0 | 112 | N338 H339 N345 | N338-K341 PolarHBondContact O-N 3.09Å; H339-K341 VanDerWaalsContact C-N 3.3Å; H339-K341 PolarHBondContact O-N 3.18Å; K341-N345 PolarHBondContact O-N 3.02Å; K341-N345 PolarHBondContact O-OD1 3.09Å |
| 342 | V | 39.3 | Very low | 35.3 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 47% | 0.473 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65 | -45.6 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | H339 N344 N345 M346 | H339-V342 PolarHBondContact O-N 2.94Å; V342-N344 VanDerWaalsContact C-N 3.34Å; V342-N344 PolarHBondContact O-N 2.95Å; V342-N345 PolarHBondContact O-N 3.45Å; V342-M346 HydrophobicContact CG1-CE 3.8Å; V342-M346 HydrophobicContact CG1-SD 4.31Å; V342-M346 PolarHBondContact O-N 2.98Å; V342-M346 VanDerWaalsContact O-N 3.14Å |
| 343 | M | 31.3 | Very low | 35.8 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 49% | 0.488 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.9 | -35.8 | -178.9 | -172.4 | 167.6 | 60.9 | 0 | 0 | 113 | H339 F340 K347 | H339-M343 WeakPolarHBondContact O-CB 3.45Å; H339-M343 PolarHBondContact O-N 3.27Å; H339-M343 VanDerWaalsContact O-N 3.13Å; F340-M343 HydrophobicContact CD1-CE 4.14Å; F340-M343 HydrophobicContact CE1-CE 4.11Å; F340-M343 HydrophobicContact CG-CE 4.4Å; F340-M343 HydrophobicContact CZ-CE 4.33Å; M343-K347 PolarHBondContact O-N 2.73Å; M343-K347 VanDerWaalsContact O-N 3.16Å |
| 344 | N | 37.4 | Very low | 36.1 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.8 | -38.9 | 174.7 | -75.2 | -13.1 | 0 | 0 | 0 | 112.7 | F340 V342 K347 S348 | F340-N344 WeakPolarHBondContact O-CB 3.04Å; F340-N344 VanDerWaalsContact O-CG 3.3Å; F340-N344 PolarHBondContact O-N 3.19Å; V342-N344 VanDerWaalsContact C-N 3.34Å; V342-N344 PolarHBondContact O-N 2.95Å; N344-K347 PolarHBondContact O-N 2.87Å; N344-S348 PolarHBondContact O-N 3.13Å; N344-S348 VanDerWaalsContact O-N 3.13Å |
| 345 | N | 39.1 | Very low | 36.5 | Very low | 90 Ų | 90 | 106.2 Ų | 106.2 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -50.7 | 176.4 | -77.2 | 23.7 | 0 | 0 | 0 | 111.2 | K341 V342 K347 S348 E349 | K341-N345 PolarHBondContact O-N 3.02Å; K341-N345 PolarHBondContact O-OD1 3.09Å; V342-N345 PolarHBondContact O-N 3.45Å; N345-K347 PolarHBondContact O-N 3.16Å; N345-S348 PolarHBondContact O-N 3.38Å; N345-S348 PolarHBondContact O-OG 3.34Å; N345-E349 PolarHBondContact O-N 2.76Å |
| 346 | M | 36.1 | Very low | 36.5 | Very low | 109 Ų | 109 | 107.7 Ų | 107.7 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -55.7 | -38.6 | 176.2 | -69.7 | 176 | 174 | 0 | 0 | 112.1 | V342 E349 I350 | V342-M346 HydrophobicContact CG1-CE 3.8Å; V342-M346 HydrophobicContact CG1-SD 4.31Å; V342-M346 PolarHBondContact O-N 2.98Å; V342-M346 VanDerWaalsContact O-N 3.14Å; M346-E349 PolarHBondContact O-N 2.71Å; M346-I350 WeakPolarHBondContact O-CB 3.09Å; M346-I350 WeakPolarHBondContact O-CD1 3.47Å; M346-I350 VanDerWaalsContact O-CG1 3.24Å; M346-I350 WeakPolarHBondContact O-CG1 3.34Å; M346-I350 PolarHBondContact O-N 3.02Å |
| 347 | K | 38.6 | Very low | 36.6 | Very low | 119 Ų | 119 | 107.3 Ų | 107.3 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 176.1 | -170.9 | 172.5 | -175.6 | -76 | 0 | 112 | M343 N344 N345 I350 E351 | M343-K347 PolarHBondContact O-N 2.73Å; M343-K347 VanDerWaalsContact O-N 3.16Å; N344-K347 PolarHBondContact O-N 2.87Å; N345-K347 PolarHBondContact O-N 3.16Å; K347-I350 PolarHBondContact O-N 3.24Å; K347-E351 WeakPolarHBondContact CE-OE1 3.03Å; K347-E351 IonicContact NZ-OE1 3.17Å; K347-E351 PolarHBondContact NZ-OE1 3.34Å; K347-E351 IonicContact NZ-OE2 3.09Å; K347-E351 WeakPolarHBondContact O-CB 3.5Å; K347-E351 WeakPolarHBondContact O-CG 3.27Å; K347-E351 PolarHBondContact O-N 3.07Å |
| 348 | S | 41.3 | Very low | 36.5 | Very low | 48 Ų | 48 | 108.8 Ų | 108.8 | 34% | 0.336 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -34.5 | 177.7 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | N344 N345 E351 Q352 | N344-S348 PolarHBondContact O-N 3.13Å; N344-S348 VanDerWaalsContact O-N 3.13Å; N345-S348 PolarHBondContact O-N 3.38Å; N345-S348 PolarHBondContact O-OG 3.34Å; S348-E351 PolarHBondContact O-N 3.43Å; S348-Q352 WeakPolarHBondContact O-CB 3.37Å; S348-Q352 VanDerWaalsContact O-CG 3.29Å; S348-Q352 WeakPolarHBondContact O-CG 3.23Å; S348-Q352 PolarHBondContact O-N 3.37Å |
| 349 | E | 36.7 | Very low | 36.4 | Very low | 120 Ų | 120 | 106 Ų | 106 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.7 | -40.5 | 174.7 | -69.1 | 166.7 | 169.6 | 0 | 0 | 111.3 | N345 M346 Q352 S353 | N345-E349 PolarHBondContact O-N 2.76Å; M346-E349 PolarHBondContact O-N 2.71Å; E349-Q352 PolarHBondContact O-N 3.4Å; E349-S353 PolarHBondContact O-N 2.92Å |
| 350 | I | 40.5 | Very low | 36.4 | Very low | 82 Ų | 82 | 104.7 Ų | 104.7 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 173.5 | -69.7 | 167.1 | 0 | 0 | 0 | 111.1 | M346 K347 Q352 S353 Y354 | M346-I350 WeakPolarHBondContact O-CB 3.09Å; M346-I350 WeakPolarHBondContact O-CD1 3.47Å; M346-I350 VanDerWaalsContact O-CG1 3.24Å; M346-I350 WeakPolarHBondContact O-CG1 3.34Å; M346-I350 PolarHBondContact O-N 3.02Å; K347-I350 PolarHBondContact O-N 3.24Å; I350-Q352 VanDerWaalsContact C-N 3.32Å; I350-Q352 PolarHBondContact O-N 3.11Å; I350-S353 PolarHBondContact O-N 3.31Å; I350-S353 PolarHBondContact O-OG 2.95Å; I350-Y354 HydrophobicContact CG2-CD2 3.83Å; I350-Y354 HydrophobicContact CG2-CE2 3.54Å; I350-Y354 WeakPolarHBondContact O-CD2 3.19Å; I350-Y354 PolarHBondContact O-N 3.39Å |
| 351 | E | 39 | Very low | 36.4 | Very low | 102 Ų | 102 | 104.2 Ų | 104.2 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 177.2 | -76.4 | 169.7 | 177.9 | 0 | 0 | 112.1 | K347 S348 Q355 | K347-E351 WeakPolarHBondContact CE-OE1 3.03Å; K347-E351 IonicContact NZ-OE1 3.17Å; K347-E351 PolarHBondContact NZ-OE1 3.34Å; K347-E351 IonicContact NZ-OE2 3.09Å; K347-E351 WeakPolarHBondContact O-CB 3.5Å; K347-E351 WeakPolarHBondContact O-CG 3.27Å; K347-E351 PolarHBondContact O-N 3.07Å; S348-E351 PolarHBondContact O-N 3.43Å; E351-Q355 PolarHBondContact O-N 3.16Å |
| 352 | Q | 37.2 | Very low | 36.4 | Very low | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.3 | -40.5 | 174.4 | -74 | 173.8 | 28.2 | 0 | 0 | 113.2 | S348 E349 I350 Q355 Q356 | S348-Q352 WeakPolarHBondContact O-CB 3.37Å; S348-Q352 VanDerWaalsContact O-CG 3.29Å; S348-Q352 WeakPolarHBondContact O-CG 3.23Å; S348-Q352 PolarHBondContact O-N 3.37Å; E349-Q352 PolarHBondContact O-N 3.4Å; I350-Q352 VanDerWaalsContact C-N 3.32Å; I350-Q352 PolarHBondContact O-N 3.11Å; Q352-Q355 PolarHBondContact O-N 2.79Å; Q352-Q356 PolarHBondContact O-N 3.27Å |
| 353 | S | 37.7 | Very low | 36 | Very low | 61 Ų | 61 | 105.8 Ų | 105.8 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 180 | 67 | 0 | 0 | 0 | 0 | 112.4 | E349 I350 Q355 Q357 | E349-S353 PolarHBondContact O-N 2.92Å; I350-S353 PolarHBondContact O-N 3.31Å; I350-S353 PolarHBondContact O-OG 2.95Å; S353-Q355 VanDerWaalsContact C-N 3.29Å; S353-Q355 PolarHBondContact O-N 2.88Å; S353-Q357 WeakPolarHBondContact O-CB 3.49Å; S353-Q357 PolarHBondContact O-N 2.56Å; S353-Q357 VanDerWaalsContact O-N 3.13Å |
| 354 | Y | 35.9 | Very low | 36 | Very low | 99 Ų | 99 | 108.6 Ų | 108.6 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 170.3 | -80.5 | -64.5 | 0 | 0 | 0 | 112.3 | Q21 I350 Q357 Y358 | Q21-Y354 VanDerWaalsContact CG-OH 3.23Å; Q21-Y354 WeakPolarHBondContact CG-OH 3.49Å; Q21-Y354 PolarHBondContact NE2-OH 3.15Å; I350-Y354 HydrophobicContact CG2-CD2 3.83Å; I350-Y354 HydrophobicContact CG2-CE2 3.54Å; I350-Y354 WeakPolarHBondContact O-CD2 3.19Å; I350-Y354 PolarHBondContact O-N 3.39Å; Y354-Q357 PolarHBondContact O-N 2.87Å; Y354-Y358 WeakPolarHBondContact O-CB 2.92Å; Y354-Y358 PolarHBondContact O-N 3.45Å |
| 355 | Q | 35 | Very low | 35.7 | Very low | 113 Ų | 113 | 109.8 Ų | 109.8 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | -177.3 | -160.1 | 67.6 | 34.8 | 0 | 0 | 112 | E351 Q352 S353 Q357 Y358 D359 | E351-Q355 PolarHBondContact O-N 3.16Å; Q352-Q355 PolarHBondContact O-N 2.79Å; S353-Q355 VanDerWaalsContact C-N 3.29Å; S353-Q355 PolarHBondContact O-N 2.88Å; Q355-Q357 VanDerWaalsContact C-N 3.31Å; Q355-Q357 PolarHBondContact O-N 2.74Å; Q355-Y358 WeakPolarHBondContact O-CB 3.3Å; Q355-Y358 PolarHBondContact O-N 3.2Å; Q355-D359 PolarHBondContact O-N 2.73Å; Q355-D359 VanDerWaalsContact O-N 3.16Å |
| 356 | Q | 31 | Very low | 35.1 | Very low | 146 Ų | 146 | 110.2 Ų | 110.2 | 68% | 0.682 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.9 | -41.5 | 175 | -78 | -173.6 | -31.7 | 0 | 0 | 112.1 | Q352 Y358 D359 I360 | Q352-Q356 PolarHBondContact O-N 3.27Å; Q356-Y358 VanDerWaalsContact C-N 3.34Å; Q356-Y358 PolarHBondContact O-N 3.21Å; Q356-D359 PolarHBondContact O-N 2.86Å; Q356-I360 WeakPolarHBondContact O-CG1 3.38Å; Q356-I360 PolarHBondContact O-N 3.13Å |
| 357 | Q | 33.9 | Very low | 34.7 | Very low | 124 Ų | 124 | 111.9 Ų | 111.9 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.3 | -34.9 | 179.8 | -160.7 | 159.7 | 1.2 | 0 | 0 | 112 | S353 Y354 Q355 I360 E361 | S353-Q357 WeakPolarHBondContact O-CB 3.49Å; S353-Q357 PolarHBondContact O-N 2.56Å; S353-Q357 VanDerWaalsContact O-N 3.13Å; Y354-Q357 PolarHBondContact O-N 2.87Å; Q355-Q357 VanDerWaalsContact C-N 3.31Å; Q355-Q357 PolarHBondContact O-N 2.74Å; Q357-I360 PolarHBondContact O-N 3.42Å; Q357-E361 PolarHBondContact O-N 3.44Å |
| 358 | Y | 35.7 | Very low | 34 | Very low | 128 Ų | 128 | 118 Ų | 118 | 50% | 0.502 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -37.2 | 173.9 | -119.9 | -87.5 | 0 | 0 | 0 | 114.1 | Y354 Q355 Q356 K362 | Y354-Y358 WeakPolarHBondContact O-CB 2.92Å; Y354-Y358 PolarHBondContact O-N 3.45Å; Q355-Y358 WeakPolarHBondContact O-CB 3.3Å; Q355-Y358 PolarHBondContact O-N 3.2Å; Q356-Y358 VanDerWaalsContact C-N 3.34Å; Q356-Y358 PolarHBondContact O-N 3.21Å; Y358-K362 PolarHBondContact O-N 3.44Å |
| 359 | D | 33.8 | Very low | 33.5 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 39% | 0.385 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -79.9 | -25.6 | -179.2 | -73.2 | -35.6 | 0 | 0 | 0 | 112.5 | Q355 Q356 K362 | Q355-D359 PolarHBondContact O-N 2.73Å; Q355-D359 VanDerWaalsContact O-N 3.16Å; Q356-D359 PolarHBondContact O-N 2.86Å; D359-K362 IonicContact OD1-NZ 3.99Å; D359-K362 PolarHBondContact OD1-NZ 2.91Å |
| 360 | I | 36.8 | Very low | 32.9 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 52% | 0.523 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -47.2 | 167.9 | -66.4 | 166.3 | 0 | 0 | 0 | 110.6 | Q356 Q357 K362 Q363 | Q356-I360 WeakPolarHBondContact O-CG1 3.38Å; Q356-I360 PolarHBondContact O-N 3.13Å; Q357-I360 PolarHBondContact O-N 3.42Å; I360-K362 PolarHBondContact O-N 3.02Å; I360-Q363 PolarHBondContact O-N 2.82Å; I360-Q363 VanDerWaalsContact O-N 3.1Å |
| 361 | E | 33.7 | Very low | 32.3 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63 | -26.9 | 179.3 | -73 | -173.6 | 169.5 | 0 | 0 | 113.4 | Q357 | Q357-E361 PolarHBondContact O-N 3.44Å |
| 362 | K | 35.1 | Very low | 32 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 48% | 0.483 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.5 | -34 | 172.7 | -83.6 | 179.5 | -167.1 | 148.6 | 0 | 113.9 | Y358 D359 I360 Y364 Q365 | Y358-K362 PolarHBondContact O-N 3.44Å; D359-K362 IonicContact OD1-NZ 3.99Å; D359-K362 PolarHBondContact OD1-NZ 2.91Å; I360-K362 PolarHBondContact O-N 3.02Å; K362-Y364 PolarHBondContact O-N 3Å; K362-Q365 PolarHBondContact O-N 3.3Å |
| 363 | Q | 30.6 | Very low | 31.6 | Very low | 157 Ų | 157 | 127 Ų | 127 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.9 | -20 | -174.9 | -72.8 | -172.9 | -37.8 | 0 | 0 | 112.9 | I360 | I360-Q363 PolarHBondContact O-N 2.82Å; I360-Q363 VanDerWaalsContact O-N 3.1Å |
| 364 | Y | 31 | Very low | 31.5 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 0.5 | 177.9 | -71.1 | -90.9 | 0 | 0 | 0 | 114.6 | K362 S366 | K362-Y364 PolarHBondContact O-N 3Å; Y364-S366 PolarHBondContact O-N 3.45Å; Y364-S366 VanDerWaalsContact O-N 3.11Å |
| 365 | Q | 32 | Very low | 31.2 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 55% | 0.547 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | 18.7 | -174.6 | -65.6 | -177.7 | -1.3 | 0 | 0 | 115.1 | K362 | K362-Q365 PolarHBondContact O-N 3.3Š|
| 366 | S | 25.8 | Very low | 30.9 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 69% | 0.692 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -14.6 | -175.7 | 57.9 | 0 | 0 | 0 | 0 | 115.1 | Y364 R368 | Y364-S366 PolarHBondContact O-N 3.45Å; Y364-S366 VanDerWaalsContact O-N 3.11Å; S366-R368 PolarHBondContact O-N 3.48Å; S366-R368 VanDerWaalsContact O-N 3.12Å |
| 367 | I | 28.3 | Very low | 30.8 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 74% | 0.744 | 64% | 0.639 | S | S | * | * | trans | -80 | 102 | -175.2 | -57.6 | -177.2 | 0 | 0 | 0 | 111.1 | L369 | I367-L369 PolarHBondContact O-N 3.16Å; I367-L369 VanDerWaalsContact O-N 3.09Å | ||
| 368 | R | 24 | Very low | 30.7 | Very low | 247 Ų | 247 | 130.1 Ų | 130.1 | 93% | 0.932 | 65% | 0.651 | S | S | * | * | trans | -65.8 | 89.4 | -172.3 | -173.8 | -170.7 | -168.1 | -174.2 | 4.6 | 114 | S366 | S366-R368 PolarHBondContact O-N 3.48Å; S366-R368 VanDerWaalsContact O-N 3.12Å | ||
| 369 | L | 30 | Very low | 30.5 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 78% | 0.775 | 66% | 0.661 | S | S | * | * | trans | -89.2 | 119.7 | 169 | -89.7 | 160.9 | 0 | 0 | 0 | 111.9 | I367 | I367-L369 PolarHBondContact O-N 3.16Å; I367-L369 VanDerWaalsContact O-N 3.09Å | ||
| 370 | G | 24.8 | Very low | 30.5 | Very low | 60 Ų | 60 | 131.3 Ų | 131.3 | 62% | 0.619 | 67% | 0.668 | S | S | * | * | trans | -94.5 | 147.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L372 | G370-L372 PolarHBondContact O-N 3.09Š| ||
| 371 | S | 27.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | 32.5 | 65.9 | 155.7 | -53.3 | 0 | 0 | 0 | 0 | 118 | Y373 | S371-Y373 PolarHBondContact O-N 3.12Å; S371-Y373 VanDerWaalsContact O-N 3.09Å | ||
| 372 | L | 31.9 | Very low | 29.9 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | trans | -69.7 | 101.7 | 165.3 | -87.3 | 167.6 | 0 | 0 | 0 | 110.5 | G370 L374 | G370-L372 PolarHBondContact O-N 3.09Å; L372-L374 PolarHBondContact O-N 3.07Å | ||
| 373 | Y | 29.5 | Very low | 29.6 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | trans | -68.9 | 117.7 | 169.7 | -79.8 | -91.5 | 0 | 0 | 0 | 110.4 | S371 F375 | S371-Y373 PolarHBondContact O-N 3.12Å; S371-Y373 VanDerWaalsContact O-N 3.09Å; Y373-F375 PolarHBondContact O-N 2.77Å | ||
| 374 | L | 35.6 | Very low | 29.3 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 41% | 0.414 | 69% | 0.693 | S | S | . | * | trans | -89.3 | 95.9 | 179.3 | -162.8 | 70 | 0 | 0 | 0 | 109.2 | I39 A42 L372 | I39-L374 HydrophobicContact CD1-CD2 4.35Å; A42-L374 HydrophobicContact CB-CD2 3.86Å; A42-L374 HydrophobicContact CB-CG 4.16Å; L372-L374 PolarHBondContact O-N 3.07Å | ||
| 375 | F | 30.1 | Very low | 29.2 | Very low | 191 Ų | 191 | 128.1 Ų | 128.1 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | -58.1 | 136.6 | -177.8 | -76.1 | -89.8 | 0 | 0 | 0 | 112.2 | Y373 | Y373-F375 PolarHBondContact O-N 2.77Š| ||
| 376 | N | 28 | Very low | 28.8 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 43% | 0.428 | 72% | 0.717 | S | S | . | * | trans | -82.3 | 164.3 | 179.5 | -72 | -50.3 | 0 | 0 | 0 | 112.5 | S43 L378 | S43-N376 WeakPolarHBondContact CA-OD1 3.49Å; S43-N376 WeakPolarHBondContact CB-OD1 3.34Å; S43-N376 PolarHBondContact N-OD1 2.8Å; N376-L378 PolarHBondContact O-N 3.15Å | ||
| 377 | S | 28.7 | Very low | 28.9 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 75.1 | 16.7 | 154.9 | -49.3 | 0 | 0 | 0 | 0 | 119.9 | ||
| 378 | L | 32.4 | Very low | 28.7 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | -124.7 | 133.8 | 165.7 | -74.8 | 175.5 | 0 | 0 | 0 | 112.8 | N376 Q380 | N376-L378 PolarHBondContact O-N 3.15Å; L378-Q380 PolarHBondContact O-N 2.92Å | ||
| 379 | P | 31.3 | Very low | 28.8 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | trans | -63.4 | 125.7 | 168 | -17.2 | 30.6 | 0 | 0 | 0 | 110.1 | ||||
| 380 | Q | 33.1 | Very low | 28.6 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 53% | 0.533 | 72% | 0.72 | S | S | . | * | trans | -68.5 | 128.6 | 175 | -66.5 | -175.5 | 0.9 | 0 | 0 | 109.4 | L378 A382 | L378-Q380 PolarHBondContact O-N 2.92Å; Q380-A382 PolarHBondContact O-N 2.89Å | ||
| 381 | P | 28.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | -63.6 | 113.9 | 179.8 | 24.9 | -33 | 0 | 0 | 0 | 109.9 | P383 | P381-P383 WeakPolarHBondContact O-CD 3.41Š| ||
| 382 | A | 30.4 | Very low | 28.6 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | trans | -62.2 | 127.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q380 S384 | Q380-A382 PolarHBondContact O-N 2.89Å; A382-S384 PolarHBondContact O-N 2.79Å | ||
| 383 | P | 28.1 | Very low | 28.3 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | trans | -60.6 | 109.1 | -175 | -27 | 34.8 | 0 | 0 | 0 | 113 | P381 F385 | P381-P383 WeakPolarHBondContact O-CD 3.41Å; P383-F385 HydrophobicContact CB-CD2 3.93Å; P383-F385 HydrophobicContact CB-CE2 3.58Å; P383-F385 PolarHBondContact O-N 2.73Å | ||
| 384 | S | 25.2 | Very low | 28.3 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | trans | -82.2 | 96.3 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | A382 | A382-S384 PolarHBondContact O-N 2.79Š| ||
| 385 | F | 28.7 | Very low | 27.9 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -114.2 | 110.2 | 174.6 | -69.6 | -70.2 | 0 | 0 | 0 | 110.3 | P383 | P383-F385 HydrophobicContact CB-CD2 3.93Å; P383-F385 HydrophobicContact CB-CE2 3.58Å; P383-F385 PolarHBondContact O-N 2.73Å | ||
| 386 | F | 23 | Very low | 27.9 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -81.7 | 121.4 | 166.8 | -88.9 | -94.2 | 0 | 0 | 0 | 109.8 | ||||
| 387 | T | 27.9 | Very low | 27.9 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | -141.9 | 78.1 | 158 | 38.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 388 | Q | 24.3 | Very low | 27.9 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -77.6 | 148.9 | 161.5 | -166.2 | 83.2 | -12.3 | 0 | 0 | 108.2 | ||||
| 389 | S | 25.8 | Very low | 27.9 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 65.9 | 164.9 | 176.6 | 29.7 | 0 | 0 | 0 | 0 | 117.9 | ||
| 390 | C | 25.6 | Very low | 27.8 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | 71.3 | 59.1 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 391 | I | 26.2 | Very low | 27.6 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 88.2 | 146.2 | -56.4 | 177.7 | 0 | 0 | 0 | 108.9 | R78 | R78-I391 VanDerWaalsContact NH2-CD1 3.32Š| ||
| 392 | K | 25.9 | Very low | 27.8 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | -150 | 138.6 | 165.2 | -91.2 | -163.6 | 176 | -170.6 | 0 | 106.8 | ||||
| 393 | E | 26.8 | Very low | 27.8 | Very low | 173 Ų | 173 | 160.4 Ų | 160.4 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | 56.3 | 143.3 | -168.5 | -61.8 | 101.6 | -110 | 0 | 0 | 112.7 | ||||
| 394 | I | 29.5 | Very low | 27.8 | Very low | 145 Ų | 145 | 164.8 Ų | 164.8 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | cis | -134.7 | 144.7 | 31.1 | -74 | 161.2 | 0 | 0 | 0 | 110.7 | T396 | I394-T396 HydrophobicContact CG2-CG2 4.24Š| ||
| 395 | E | 26.2 | Very low | 27.9 | Very low | 192 Ų | 192 | 166.4 Ų | 166.4 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -101.8 | 102.2 | 165.8 | -69.2 | -175 | 113.7 | 0 | 0 | 111.2 | ||||
| 396 | T | 30.8 | Very low | 27.9 | Very low | 116 Ų | 116 | 169 Ų | 169 | 71% | 0.712 | 82% | 0.819 | S | S | * | * | trans | -143.9 | 120.8 | 162 | 45.3 | 0 | 0 | 0 | 0 | 106.8 | I394 | I394-T396 HydrophobicContact CG2-CG2 4.24Š| ||
| 397 | K | 28.4 | Very low | 28.2 | Very low | 180 Ų | 180 | 166.3 Ų | 166.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | cis | 61.5 | 125.3 | 47.3 | -73 | -167.8 | 173.3 | -177.7 | 0 | 114.7 | ||||
| 398 | E | 28.4 | Very low | 28.1 | Very low | 174 Ų | 174 | 167.3 Ų | 167.3 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | 69.2 | 165.2 | 166.3 | -70.2 | 151.1 | -129.6 | 0 | 0 | 116.9 | ||||
| 399 | I | 32.7 | Very low | 28.4 | Very low | 161 Ų | 161 | 165 Ų | 165 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 73.3 | 70.2 | -167.3 | -42 | 171.8 | 0 | 0 | 0 | 114.9 | ||||
| 400 | Y | 28.3 | Very low | 28.6 | Very low | 215 Ų | 215 | 166.8 Ų | 166.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -150.8 | 37.4 | 153.6 | -97.2 | -63.6 | 0 | 0 | 0 | 113.2 | ||||
| 401 | E | 29.7 | Very low | 28.8 | Very low | 185 Ų | 185 | 164 Ų | 164 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -127.8 | 95.8 | 167.4 | -74.3 | -169.9 | 162.3 | 0 | 0 | 109.9 | ||
| 402 | K | 31.5 | Very low | 29 | Very low | 209 Ų | 209 | 161.1 Ų | 161.1 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 146.4 | 80.6 | 164.7 | -85.6 | 161.9 | -178 | 173.4 | 0 | 110.8 | ||||
| 403 | M | 30.5 | Very low | 29.2 | Very low | 196 Ų | 196 | 161.2 Ų | 161.2 | 97% | 0.966 | 78% | 0.783 | S | S | * | * | trans | -165.5 | 67.9 | 157.2 | -114.6 | 167.6 | 178.5 | 0 | 0 | 110.7 | ||||
| 404 | E | 27.7 | Very low | 29.4 | Very low | 176 Ų | 176 | 155.7 Ų | 155.7 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -76.5 | 147.7 | 156.1 | -68.3 | -177.5 | 117.6 | 0 | 0 | 109.2 | ||||
| 405 | N | 27.5 | Very low | 29.5 | Very low | 144 Ų | 144 | 154.3 Ų | 154.3 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 62.4 | 78.6 | 165.1 | -54.1 | -43.9 | 0 | 0 | 0 | 117.6 | ||
| 406 | R | 28.1 | Very low | 30 | Very low | 231 Ų | 231 | 152.5 Ų | 152.5 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | S | Bend | -174.3 | 126.6 | 124 | -97.5 | 155.2 | -159.6 | -159.5 | 3.9 | 111.4 | |||
| 407 | D | 30.4 | Very low | 30.8 | Very low | 144 Ų | 144 | 152.3 Ų | 152.3 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 49.9 | 137.1 | 157.2 | -48.2 | -43 | 0 | 0 | 0 | 120.2 | V409 | D407-V409 PolarHBondContact O-N 3.45Å; D407-V409 VanDerWaalsContact O-N 3.14Å | ||
| 408 | I | 26.5 | Very low | 32.1 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 82% | 0.821 | 72% | 0.719 | S | S | * | * | trans | -88 | 94.4 | -154.3 | -58.2 | 172.9 | 0 | 0 | 0 | 112 | I410 | I408-I410 HydrophobicContact CG2-CD1 4.17Å; I408-I410 HydrophobicContact CG2-CG1 3.73Å | ||
| 409 | V | 31 | Very low | 33.9 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 74% | 0.739 | 71% | 0.708 | S | S | * | * | trans | -95.4 | 95.3 | 171.8 | -176.2 | 0 | 0 | 0 | 0 | 111 | D407 C411 | D407-V409 PolarHBondContact O-N 3.45Å; D407-V409 VanDerWaalsContact O-N 3.14Å; V409-C411 VanDerWaalsContact C-N 3.3Å; V409-C411 PolarHBondContact O-N 3.15Å | ||
| 410 | I | 29.2 | Very low | 35.8 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | trans | -78.3 | 77 | 177.9 | -50.1 | -175 | 0 | 0 | 0 | 110.7 | I408 S412 | I408-I410 HydrophobicContact CG2-CD1 4.17Å; I408-I410 HydrophobicContact CG2-CG1 3.73Å; I410-S412 PolarHBondContact O-N 3.37Å; I410-S412 VanDerWaalsContact O-N 3.14Å | ||
| 411 | C | 29.8 | Very low | 38.1 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 45% | 0.446 | 66% | 0.657 | S | S | . | * | trans | -77.6 | 94.8 | 176 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | V409 K413 | V409-C411 VanDerWaalsContact C-N 3.3Å; V409-C411 PolarHBondContact O-N 3.15Å; C411-K413 PolarHBondContact O-N 3.27Å | ||
| 412 | S | 30.7 | Very low | 40.1 | Very low | 75 Ų | 75 | 124.8 Ų | 124.8 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | trans | -75 | 113 | 176.8 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | I410 S414 | I410-S412 PolarHBondContact O-N 3.37Å; I410-S412 VanDerWaalsContact O-N 3.14Å; S412-S414 VanDerWaalsContact C-N 3.32Å; S412-S414 PolarHBondContact O-N 3.13Å | ||
| 413 | K | 29.8 | Very low | 42.3 | Very low | 178 Ų | 178 | 117.5 Ų | 117.5 | 77% | 0.774 | 60% | 0.595 | S | S | * | * | trans | -71 | 80.5 | -175.6 | -70 | -175.9 | 177.3 | 179.2 | 0 | 112.6 | C411 | C411-K413 PolarHBondContact O-N 3.27Š| ||
| 414 | S | 31.5 | Very low | 44.3 | Very low | 58 Ų | 58 | 113 Ų | 113 | 41% | 0.406 | 57% | 0.572 | S | S | . | * | trans | -126.9 | 123.8 | 173.6 | 167.9 | 0 | 0 | 0 | 0 | 109.3 | S412 Y416 | S412-S414 VanDerWaalsContact C-N 3.32Å; S412-S414 PolarHBondContact O-N 3.13Å; S414-Y416 PolarHBondContact O-N 3.23Å | ||
| 415 | P | 30.6 | Very low | 46.6 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 75% | 0.747 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -79.3 | 36.3 | -178.1 | 33.8 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 416 | Y | 37.8 | Very low | 49 | Very low | 155 Ų | 155 | 108 Ų | 108 | 61% | 0.608 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -147.1 | 113.6 | -177.1 | -56.3 | -76.1 | 0 | 0 | 0 | 109.5 | S414 Q418 | S414-Y416 PolarHBondContact O-N 3.23Å; Y416-Q418 PolarHBondContact O-N 3.11Å |
| 417 | L | 46 | Very low | 51.6 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | trans | 39.2 | 71.6 | 172.5 | -62 | 176.2 | 0 | 0 | 0 | 114.2 | R419 I805 | L417-R419 PolarHBondContact O-N 3.2Å; L417-I805 HydrophobicContact CB-CG2 4.25Å; L417-I805 HydrophobicContact CD2-CG2 3.88Å | ||
| 418 | Q | 56.1 | Low | 54.2 | Low | 55 Ų | 55 | 95.6 Ų | 95.6 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | trans | -61.2 | 118.6 | 172.8 | -178.2 | -179.5 | -26.4 | 0 | 0 | 109.4 | Y416 I420 Y806 | Y416-Q418 PolarHBondContact O-N 3.11Å; Q418-I420 HydrophobicContact CG-CG2 4.14Å; Q418-Y806 PolarHBondContact O-N 2.89Å | ||
| 419 | R | 67.4 | Low | 57.1 | Low | 155 Ų | 155 | 92.1 Ų | 92.1 | 59% | 0.585 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 145.4 | 165.9 | -64.9 | -167.4 | -173.3 | -156.6 | 3.7 | 110.4 | L417 E803 L804 I805 | L417-R419 PolarHBondContact O-N 3.2Å; R419-E803 IonicContact NH1-OE2 2.69Å; R419-E803 PolarHBondContact NH1-OE2 2.83Å; R419-L804 VanDerWaalsContact CA-O 3.24Å; R419-L804 WeakPolarHBondContact CA-O 3.47Å; R419-I805 HydrophobicContact CG-CG1 4.43Å |
| 420 | I | 71 | Confident | 59.7 | Low | 22 Ų | 22 | 86.9 Ų | 86.9 | 11% | 0.113 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.7 | 172.1 | 61.4 | -168.4 | 0 | 0 | 0 | 109.7 | Q418 I422 L804 Y813 | Q418-I420 HydrophobicContact CG-CG2 4.14Å; I420-I422 HydrophobicContact CB-CD1 4.29Å; I420-I422 HydrophobicContact CB-CG1 4.29Å; I420-I422 HydrophobicContact CD1-CD1 3.51Å; I420-I422 HydrophobicContact CD1-CG1 4.27Å; I420-I422 HydrophobicContact CG1-CD1 3.94Å; I420-I422 HydrophobicContact CG1-CG1 4.15Å; I420-L804 HydrophobicContact CG1-CB 3.95Å; I420-L804 PolarHBondContact N-O 3.3Å; I420-L804 PolarHBondContact O-N 2.93Å; I420-Y813 HydrophobicContact CD1-CD1 3.57Å; I420-Y813 HydrophobicContact CD1-CE1 3.22Å; I420-Y813 HydrophobicContact CD1-CE2 4.43Å; I420-Y813 HydrophobicContact CD1-CG 4.31Å; I420-Y813 HydrophobicContact CG1-CD1 4.32Å; I420-Y813 HydrophobicContact CG1-CE1 4.29Å |
| 421 | S | 77.6 | Confident | 62.4 | Low | 69 Ų | 69 | 83.6 Ų | 83.6 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.2 | 171.4 | -54.6 | 0 | 0 | 0 | 0 | 107.9 | I802 | S421-I802 VanDerWaalsContact CA-O 3.32Å; S421-I802 WeakPolarHBondContact CA-O 3.43Å |
| 422 | I | 72.3 | Confident | 64.8 | Low | 37 Ų | 37 | 87.3 Ų | 87.3 | 19% | 0.19 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 145.3 | -171.6 | -72.1 | -171.4 | 0 | 0 | 0 | 110.6 | I420 L427 I802 L824 | I420-I422 HydrophobicContact CB-CD1 4.29Å; I420-I422 HydrophobicContact CB-CG1 4.29Å; I420-I422 HydrophobicContact CD1-CD1 3.51Å; I420-I422 HydrophobicContact CD1-CG1 4.27Å; I420-I422 HydrophobicContact CG1-CD1 3.94Å; I420-I422 HydrophobicContact CG1-CG1 4.15Å; I422-L427 HydrophobicContact CG2-CD1 4.26Å; I422-L427 HydrophobicContact CG2-CD2 4.08Å; I422-L427 HydrophobicContact CG2-CG 4.02Å; I422-I802 PolarHBondContact N-O 2.82Å; I422-I802 PolarHBondContact O-N 2.87Å; I422-L824 HydrophobicContact CD1-CD1 4.39Å; I422-L824 HydrophobicContact CD1-CD2 3.63Å; I422-L824 HydrophobicContact CG2-CD2 4.12Å |
| 423 | D | 76.8 | Confident | 67.2 | Low | 56 Ų | 56 | 86.9 Ų | 86.9 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 138.7 | 177.9 | 178.3 | 38 | 0 | 0 | 0 | 111.8 | H425 S426 G800 | D423-H425 PolarHBondContact O-N 2.8Å; D423-H425 IonicContact OD1-CD2 3.81Å; D423-H425 WeakPolarHBondContact OD2-CB 3.19Å; D423-H425 IonicContact OD2-CD2 3.4Å; D423-H425 PolarHBondContact OD2-CD2 3.21Å; D423-H425 IonicContact OD2-CG 3.78Å; D423-S426 PolarHBondContact O-N 2.84Å; D423-G800 WeakPolarHBondContact OD1-CA 3.15Å |
| 424 | H | 72.3 | Confident | 69.8 | Low | 102 Ų | 102 | 81.2 Ų | 81.2 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -53.8 | -30.8 | 180 | -167.5 | -36.2 | 0 | 0 | 0 | 112.6 | S426 L427 G800 I802 | H424-S426 VanDerWaalsContact C-N 3.28Å; H424-S426 PolarHBondContact O-N 2.65Å; H424-L427 PolarHBondContact O-N 3.02Å; H424-G800 PolarHBondContact N-O 2.61Å; H424-I802 HydrophobicContact CB-CD1 4Å; H424-I802 HydrophobicContact CB-CG1 4.44Å |
| 425 | H | 76.5 | Confident | 72.3 | Confident | 161 Ų | 161 | 80 Ų | 80 | 75% | 0.745 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -73.6 | -13.1 | 179.8 | -60.9 | -68.4 | 0 | 0 | 0 | 114.6 | D423 | D423-H425 PolarHBondContact O-N 2.8Å; D423-H425 IonicContact OD1-CD2 3.81Å; D423-H425 WeakPolarHBondContact OD2-CB 3.19Å; D423-H425 IonicContact OD2-CD2 3.4Å; D423-H425 PolarHBondContact OD2-CD2 3.21Å; D423-H425 IonicContact OD2-CG 3.78Å |
| 426 | S | 78.1 | Confident | 74.6 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 38% | 0.378 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -92.5 | 8.3 | 175.4 | -52.9 | 0 | 0 | 0 | 0 | 113.8 | D423 H424 I825 | D423-S426 PolarHBondContact O-N 2.84Å; H424-S426 VanDerWaalsContact C-N 3.28Å; H424-S426 PolarHBondContact O-N 2.65Å; S426-I825 PolarHBondContact O-N 3.32Å; S426-I825 VanDerWaalsContact O-N 3.14Å |
| 427 | L | 81.6 | Confident | 76.5 | Confident | 13 Ų | 13 | 80.9 Ų | 80.9 | 7% | 0.068 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.9 | -168.5 | -63.9 | 168.6 | 0 | 0 | 0 | 112 | I422 H424 I802 L804 Y822 L824 | I422-L427 HydrophobicContact CG2-CD1 4.26Å; I422-L427 HydrophobicContact CG2-CD2 4.08Å; I422-L427 HydrophobicContact CG2-CG 4.02Å; H424-L427 PolarHBondContact O-N 3.02Å; L427-I802 HydrophobicContact CD1-CB 4.48Å; L427-I802 HydrophobicContact CD1-CD1 3.99Å; L427-L804 HydrophobicContact CD1-CD1 3.69Å; L427-L804 HydrophobicContact CD2-CD1 3.46Å; L427-L804 VanDerWaalsContact CD2-CD1 3.46Å; L427-L804 HydrophobicContact CG-CD1 4.24Å; L427-Y822 HydrophobicContact CB-CD1 3.96Å; L427-Y822 HydrophobicContact CB-CG 4.44Å; L427-L824 HydrophobicContact CD2-CD2 3.73Å |
| 428 | K | 85.9 | Confident | 78.2 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121.2 | 169.9 | 177.2 | -167.7 | 166.2 | -153.9 | 0 | 108.9 | Y822 E823 I825 | K428-Y822 CarbonylContact O-C 3.53Å; K428-Y822 VanDerWaalsContact O-CA 3.3Å; K428-Y822 WeakPolarHBondContact O-CA 3.45Å; K428-E823 PolarHBondContact N-O 3.14Å; K428-E823 PolarHBondContact O-N 2.95Å; K428-I825 HydrophobicContact CB-CD1 4.16Å; K428-I825 HydrophobicContact CB-CG1 3.85Å |
| 429 | E | 86.2 | Confident | 79.4 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 134.4 | 171.7 | -169.3 | 169.5 | 133.6 | 0 | 0 | 110.8 | R820 Y822 | E429-R820 IonicContact OE1-CZ 3.4Å; E429-R820 IonicContact OE1-NE 3.89Å; E429-R820 IonicContact OE1-NH1 2.69Å; E429-R820 PolarHBondContact OE1-NH1 2.88Å; E429-R820 WeakPolarHBondContact OE2-CD 3.3Å; E429-R820 IonicContact OE2-CZ 3.66Å; E429-R820 IonicContact OE2-NE 3.94Å; E429-R820 IonicContact OE2-NH1 2.69Å; E429-R820 PolarHBondContact OE2-NH1 2.74Å; E429-Y822 HydrophobicContact CB-CD1 4.12Å; E429-Y822 HydrophobicContact CB-CE1 3.85Å; E429-Y822 HydrophobicContact CG-CE1 4.15Å |
| 430 | L | 85.9 | Confident | 79.8 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 129.5 | 175.9 | -73.9 | 162.3 | 0 | 0 | 0 | 109.6 | D434 K438 C812 F821 E823 | L430-D434 HydrophobicContact CB-CB 4.38Å; L430-D434 HydrophobicContact CD2-CB 3.73Å; L430-K438 HydrophobicContact CD1-CD 4.11Å; L430-K438 HydrophobicContact CD2-CD 4.38Å; L430-C812 HydrophobicContact CD1-CB 3.42Å; L430-C812 VanDerWaalsContact CD1-CB 3.42Å; L430-F821 HydrophobicContact CB-CB 4.22Å; L430-F821 HydrophobicContact CD1-CB 4.17Å; L430-F821 PolarHBondContact N-O 3.22Å; L430-E823 HydrophobicContact CD1-CB 4.26Å; L430-E823 HydrophobicContact CD2-CB 4.26Å; L430-E823 HydrophobicContact CG-CB 4.21Å |
| 431 | T | 86.8 | Confident | 79.8 | Confident | 75 Ų | 75 | 78.4 Ų | 78.4 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 160.7 | 176.1 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | A433 D434 L435 | T431-A433 PolarHBondContact O-N 2.95Å; T431-A433 VanDerWaalsContact O-N 3.07Å; T431-A433 PolarHBondContact OG1-N 3.18Å; T431-D434 WeakPolarHBondContact CB-OD2 2.96Å; T431-D434 WeakPolarHBondContact CG2-OD2 2.9Å; T431-D434 PolarHBondContact N-OD2 2.84Å; T431-D434 PolarHBondContact O-N 2.63Å; T431-D434 VanDerWaalsContact OG1-CG 3.26Å; T431-D434 PolarHBondContact OG1-N 2.92Å; T431-D434 PolarHBondContact OG1-OD2 3.47Å; T431-L435 PolarHBondContact O-N 3.44Å |
| 432 | D | 80.2 | Confident | 79.6 | Confident | 144 Ų | 144 | 77.5 Ų | 77.5 | 77% | 0.77 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -51.8 | -31.2 | 170.5 | -78.8 | -8.2 | 0 | 0 | 0 | 112.8 | K436 | D432-K436 WeakPolarHBondContact O-CB 3.48Å; D432-K436 PolarHBondContact O-N 3.24Å |
| 433 | A | 81.4 | Confident | 78.9 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.1 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T431 K436 F437 | T431-A433 PolarHBondContact O-N 2.95Å; T431-A433 VanDerWaalsContact O-N 3.07Å; T431-A433 PolarHBondContact OG1-N 3.18Å; A433-K436 PolarHBondContact O-N 3.19Å; A433-F437 PolarHBondContact O-N 3.19Å |
| 434 | D | 83.8 | Confident | 77.5 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 31% | 0.31 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.9 | -56.4 | -60.4 | 0 | 0 | 0 | 111.1 | L430 T431 F437 K438 | L430-D434 HydrophobicContact CB-CB 4.38Å; L430-D434 HydrophobicContact CD2-CB 3.73Å; T431-D434 WeakPolarHBondContact CB-OD2 2.96Å; T431-D434 WeakPolarHBondContact CG2-OD2 2.9Å; T431-D434 PolarHBondContact N-OD2 2.84Å; T431-D434 PolarHBondContact O-N 2.63Å; T431-D434 VanDerWaalsContact OG1-CG 3.26Å; T431-D434 PolarHBondContact OG1-N 2.92Å; T431-D434 PolarHBondContact OG1-OD2 3.47Å; D434-F437 WeakPolarHBondContact O-CB 3.39Å; D434-F437 PolarHBondContact O-N 3.25Å; D434-K438 PolarHBondContact O-N 3.01Å |
| 435 | L | 83.4 | Confident | 75.7 | Confident | 33 Ų | 33 | 79.8 Ų | 79.8 | 17% | 0.173 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 177.6 | -163.7 | 76.1 | 0 | 0 | 0 | 110.7 | T431 F437 K438 V439 L810 F821 | T431-L435 PolarHBondContact O-N 3.44Å; L435-F437 VanDerWaalsContact C-N 3.29Å; L435-F437 PolarHBondContact O-N 3.45Å; L435-K438 PolarHBondContact O-N 3.1Å; L435-V439 WeakPolarHBondContact O-CB 3.19Å; L435-V439 VanDerWaalsContact O-CG2 3.25Å; L435-V439 WeakPolarHBondContact O-CG2 3.49Å; L435-V439 PolarHBondContact O-N 3.31Å; L435-L810 HydrophobicContact CD1-CD1 3.99Å; L435-F821 HydrophobicContact CD1-CB 3.9Å; L435-F821 HydrophobicContact CD1-CD1 3.89Å; L435-F821 HydrophobicContact CD1-CD2 3.69Å; L435-F821 HydrophobicContact CD1-CE1 4.3Å; L435-F821 HydrophobicContact CD1-CE2 4.14Å; L435-F821 HydrophobicContact CD1-CG 3.55Å; L435-F821 HydrophobicContact CD1-CZ 4.42Å; L435-F821 HydrophobicContact CD2-CD2 3.69Å; L435-F821 HydrophobicContact CD2-CE2 3.75Å; L435-F821 HydrophobicContact CD2-CG 4.42Å; L435-F821 HydrophobicContact CG-CD2 4.36Å |
| 436 | K | 79.2 | Confident | 73.7 | Confident | 146 Ų | 146 | 80.6 Ų | 80.6 | 64% | 0.635 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.2 | -37.3 | 173.9 | -173.6 | 174.6 | -177.2 | 178.5 | 0 | 111.9 | D432 A433 V439 I440 | D432-K436 WeakPolarHBondContact O-CB 3.48Å; D432-K436 PolarHBondContact O-N 3.24Å; A433-K436 PolarHBondContact O-N 3.19Å; K436-V439 PolarHBondContact O-N 3.4Å; K436-I440 HydrophobicContact CG-CD1 4.11Å; K436-I440 WeakPolarHBondContact O-CB 3.28Å; K436-I440 WeakPolarHBondContact O-CD1 3.48Å; K436-I440 VanDerWaalsContact O-CG1 3.23Å; K436-I440 WeakPolarHBondContact O-CG1 3.47Å; K436-I440 PolarHBondContact O-N 3.1Å |
| 437 | F | 78.1 | Confident | 71.4 | Confident | 143 Ų | 143 | 86.5 Ų | 86.5 | 63% | 0.627 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.3 | -48.5 | 173.6 | -123.4 | -79.2 | 0 | 0 | 0 | 112 | A433 D434 L435 V439 I440 M441 | A433-F437 PolarHBondContact O-N 3.19Å; D434-F437 WeakPolarHBondContact O-CB 3.39Å; D434-F437 PolarHBondContact O-N 3.25Å; L435-F437 VanDerWaalsContact C-N 3.29Å; L435-F437 PolarHBondContact O-N 3.45Å; F437-V439 VanDerWaalsContact C-N 3.32Å; F437-V439 PolarHBondContact O-N 3.19Å; F437-I440 PolarHBondContact O-N 3.49Å; F437-I440 VanDerWaalsContact O-N 3.17Å; F437-M441 HydrophobicContact CD1-CG 4.37Å; F437-M441 WeakPolarHBondContact O-CG 3.47Å; F437-M441 PolarHBondContact O-N 3.16Å |
| 438 | K | 82 | Confident | 69 | Low | 41 Ų | 41 | 91.8 Ų | 91.8 | 18% | 0.178 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | 174.2 | -76.2 | 169.9 | 176.3 | -80 | 0 | 111.5 | L430 D434 L435 M441 A442 L810 K811 C812 E823 | L430-K438 HydrophobicContact CD1-CD 4.11Å; L430-K438 HydrophobicContact CD2-CD 4.38Å; D434-K438 PolarHBondContact O-N 3.01Å; L435-K438 PolarHBondContact O-N 3.1Å; K438-M441 PolarHBondContact O-N 3.49Å; K438-A442 VanDerWaalsContact O-CB 3.29Å; K438-A442 WeakPolarHBondContact O-CB 3.37Å; K438-A442 PolarHBondContact O-N 3.27Å; K438-L810 HydrophobicContact CB-CD2 4.36Å; K438-L810 WeakPolarHBondContact CD-O 3.41Å; K438-L810 PolarHBondContact NZ-O 3.05Å; K438-K811 PolarHBondContact NZ-O 2.94Å; K438-C812 HydrophobicContact CD-CB 4.47Å; K438-E823 WeakPolarHBondContact CE-OE1 3.23Å; K438-E823 IonicContact NZ-OE1 2.69Å; K438-E823 PolarHBondContact NZ-OE1 3.24Å |
| 439 | V | 80.4 | Confident | 66.2 | Low | 48 Ų | 48 | 93.8 Ų | 93.8 | 29% | 0.291 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 175.3 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | L435 K436 F437 S443 L810 | L435-V439 WeakPolarHBondContact O-CB 3.19Å; L435-V439 VanDerWaalsContact O-CG2 3.25Å; L435-V439 WeakPolarHBondContact O-CG2 3.49Å; L435-V439 PolarHBondContact O-N 3.31Å; K436-V439 PolarHBondContact O-N 3.4Å; F437-V439 VanDerWaalsContact C-N 3.32Å; F437-V439 PolarHBondContact O-N 3.19Å; V439-S443 WeakPolarHBondContact O-CB 3.23Å; V439-S443 PolarHBondContact O-N 3.35Å; V439-S443 VanDerWaalsContact O-N 3.1Å; V439-S443 PolarHBondContact O-OG 2.9Å; V439-L810 HydrophobicContact CB-CD2 4.32Å; V439-L810 HydrophobicContact CG2-CD1 4.36Å; V439-L810 HydrophobicContact CG2-CD2 3.57Å |
| 440 | I | 76.8 | Confident | 63.5 | Low | 81 Ų | 81 | 95.8 Ų | 95.8 | 42% | 0.415 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -50.6 | 176.3 | -72.6 | 163.2 | 0 | 0 | 0 | 110.2 | K436 F437 A442 S443 T444 | K436-I440 HydrophobicContact CG-CD1 4.11Å; K436-I440 WeakPolarHBondContact O-CB 3.28Å; K436-I440 WeakPolarHBondContact O-CD1 3.48Å; K436-I440 VanDerWaalsContact O-CG1 3.23Å; K436-I440 WeakPolarHBondContact O-CG1 3.47Å; K436-I440 PolarHBondContact O-N 3.1Å; F437-I440 PolarHBondContact O-N 3.49Å; F437-I440 VanDerWaalsContact O-N 3.17Å; I440-A442 VanDerWaalsContact C-N 3.27Å; I440-A442 PolarHBondContact O-N 3.21Å; I440-S443 WeakPolarHBondContact O-CA 3.47Å; I440-S443 WeakPolarHBondContact O-CB 3.46Å; I440-S443 PolarHBondContact O-N 3.37Å; I440-T444 HydrophobicContact CG2-CG2 4.44Å; I440-T444 PolarHBondContact O-N 3.31Å; I440-T444 VanDerWaalsContact O-N 3.11Å; I440-T444 PolarHBondContact O-OG1 3.1Å |
| 441 | M | 71.5 | Confident | 60.8 | Low | 121 Ų | 121 | 103.4 Ų | 103.4 | 60% | 0.596 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60 | -36.1 | 178.7 | -66.8 | -59 | -62 | 0 | 0 | 112.5 | F437 K438 S443 T444 | F437-M441 HydrophobicContact CD1-CG 4.37Å; F437-M441 WeakPolarHBondContact O-CG 3.47Å; F437-M441 PolarHBondContact O-N 3.16Å; K438-M441 PolarHBondContact O-N 3.49Å; M441-S443 VanDerWaalsContact C-N 3.29Å; M441-S443 PolarHBondContact O-N 3.11Å; M441-T444 PolarHBondContact O-OG1 3.49Å; M441-T444 VanDerWaalsContact O-OG1 3.09Å |
| 442 | A | 72.1 | Confident | 58.1 | Low | 49 Ų | 49 | 105.9 Ų | 105.9 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -11.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K438 I440 I809 L810 | K438-A442 VanDerWaalsContact O-CB 3.29Å; K438-A442 WeakPolarHBondContact O-CB 3.37Å; K438-A442 PolarHBondContact O-N 3.27Å; I440-A442 VanDerWaalsContact C-N 3.27Å; I440-A442 PolarHBondContact O-N 3.21Å; A442-I809 HydrophobicContact CB-CG2 3.92Å; A442-L810 HydrophobicContact CB-CD2 4.45Å |
| 443 | S | 57.4 | Low | 55.5 | Low | 65 Ų | 65 | 104.1 Ų | 104.1 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.5 | -16.8 | 178 | -56.7 | 0 | 0 | 0 | 0 | 113.6 | V439 I440 M441 R639 | V439-S443 WeakPolarHBondContact O-CB 3.23Å; V439-S443 PolarHBondContact O-N 3.35Å; V439-S443 VanDerWaalsContact O-N 3.1Å; V439-S443 PolarHBondContact O-OG 2.9Å; I440-S443 WeakPolarHBondContact O-CA 3.47Å; I440-S443 WeakPolarHBondContact O-CB 3.46Å; I440-S443 PolarHBondContact O-N 3.37Å; M441-S443 VanDerWaalsContact C-N 3.29Å; M441-S443 PolarHBondContact O-N 3.11Å; S443-R639 PolarHBondContact OG-NH2 3.21Å |
| 444 | T | 47.2 | Very low | 53 | Low | 46 Ų | 46 | 109.4 Ų | 109.4 | 28% | 0.282 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -86.1 | 125.8 | -176.3 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | I440 M441 Y446 | I440-T444 HydrophobicContact CG2-CG2 4.44Å; I440-T444 PolarHBondContact O-N 3.31Å; I440-T444 VanDerWaalsContact O-N 3.11Å; I440-T444 PolarHBondContact O-OG1 3.1Å; M441-T444 PolarHBondContact O-OG1 3.49Å; M441-T444 VanDerWaalsContact O-OG1 3.09Å; T444-Y446 VanDerWaalsContact CB-CD2 3.47Å; T444-Y446 HydrophobicContact CG2-CD2 4.16Å; T444-Y446 HydrophobicContact CG2-CE2 3.84Å; T444-Y446 PolarHBondContact O-N 2.92Å |
| 445 | P | 35.8 | Very low | 50.3 | Low | 133 Ų | 133 | 111.4 Ų | 111.4 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | trans | -80.1 | 62.9 | 178.8 | 34.4 | -36.5 | 0 | 0 | 0 | 112 | ||||
| 446 | Y | 33.5 | Very low | 47.7 | Very low | 177 Ų | 177 | 116.5 Ų | 116.5 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | trans | -90.5 | 117.1 | 179.8 | -78.4 | -57.8 | 0 | 0 | 0 | 113.5 | T444 L448 | T444-Y446 VanDerWaalsContact CB-CD2 3.47Å; T444-Y446 HydrophobicContact CG2-CD2 4.16Å; T444-Y446 HydrophobicContact CG2-CE2 3.84Å; T444-Y446 PolarHBondContact O-N 2.92Å; Y446-L448 HydrophobicContact CD1-CD1 4.2Å; Y446-L448 PolarHBondContact O-N 2.79Å | ||
| 447 | H | 29.4 | Very low | 45.4 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 83% | 0.829 | 63% | 0.626 | S | S | * | * | trans | -87.2 | 66.1 | 176.1 | -173.2 | -64.1 | 0 | 0 | 0 | 110.8 | ||||
| 448 | L | 32.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 120.7 Ų | 120.7 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | trans | -134.6 | 128.9 | 174.8 | -73.4 | 98.5 | 0 | 0 | 0 | 109.5 | Y446 | Y446-L448 HydrophobicContact CD1-CD1 4.2Å; Y446-L448 PolarHBondContact O-N 2.79Å | ||
| 449 | N | 26.9 | Very low | 40.4 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | 53.5 | 79.7 | 58.3 | -71.7 | -3.9 | 0 | 0 | 0 | 113.1 | |||||
| 450 | N | 29.1 | Very low | 37.8 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | trans | -167 | 56.2 | 155.6 | -101.3 | -22.6 | 0 | 0 | 0 | 112.8 | I452 | N450-I452 VanDerWaalsContact C-N 3.29Å; N450-I452 HydrophobicContact CB-CG1 4.29Å; N450-I452 PolarHBondContact O-N 2.94Å | ||
| 451 | D | 30.3 | Very low | 35.5 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 92% | 0.92 | 71% | 0.713 | S | S | * | * | trans | -76.8 | 90.8 | 148.7 | -78.8 | -45.6 | 0 | 0 | 0 | 106.9 | P453 | D451-P453 WeakPolarHBondContact O-CD 3.49Š| ||
| 452 | I | 29.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 65% | 0.651 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 117.3 | 179.9 | -62.8 | 179.1 | 0 | 0 | 0 | 108.1 | N450 | N450-I452 VanDerWaalsContact C-N 3.29Å; N450-I452 HydrophobicContact CB-CG1 4.29Å; N450-I452 PolarHBondContact O-N 2.94Å |
| 453 | P | 26.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 150.1 | 174 | 29.6 | -34.7 | 0 | 0 | 0 | 110.1 | D451 S455 | D451-P453 WeakPolarHBondContact O-CD 3.49Å; P453-S455 PolarHBondContact O-N 3.17Å |
| 454 | L | 28.9 | Very low | 30 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 93% | 0.927 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 131.8 | 178.1 | -80.4 | 163.2 | 0 | 0 | 0 | 111.2 | ||
| 455 | S | 26.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.1 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 112 | P453 | P453-S455 PolarHBondContact O-N 3.17Š|
| 456 | N | 28.3 | Very low | 28.9 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | -151.2 | 139.1 | 119.1 | -92 | -14 | 0 | 0 | 0 | 110.4 | |||||
| 457 | D | 30.4 | Very low | 28.9 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 54.2 | 81.4 | 154.6 | -50.8 | -27.4 | 0 | 0 | 0 | 119.6 | ||||
| 458 | Y | 26.7 | Very low | 28.9 | Very low | 231 Ų | 231 | 139 Ų | 139 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | trans | -87.1 | 128.2 | 146.2 | -92.8 | -88.6 | 0 | 0 | 0 | 110.2 | ||||
| 459 | T | 28.7 | Very low | 28.7 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -115.7 | 96.4 | 156.6 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 460 | I | 26.9 | Very low | 29 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | trans | 7.4 | 125.3 | 147.6 | -31.1 | 177.8 | 0 | 0 | 0 | 117.2 | ||||
| 461 | M | 28.8 | Very low | 28.9 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 89% | 0.892 | 76% | 0.76 | S | S | * | * | 156.9 | 146.7 | 122 | -82.9 | -61.4 | -81.8 | 0 | 0 | 112.5 | |||||
| 462 | G | 29.1 | Very low | 29 | Very low | 62 Ų | 62 | 141.2 Ų | 141.2 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | 111.8 | 55.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 463 | T | 28.2 | Very low | 28.9 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | 33.3 | 119.5 | 130.6 | 51.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 464 | N | 28 | Very low | 29.3 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | 101.6 | 112.1 | 125.8 | -64.5 | 25.7 | 0 | 0 | 0 | 123.2 | |||||
| 465 | E | 30.1 | Very low | 29.3 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | 83.8 | 119.5 | 117.5 | -69.9 | -177.1 | -101.1 | 0 | 0 | 125.7 | |||||
| 466 | N | 30.2 | Very low | 29.6 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | 88.2 | 117.3 | 126.4 | -61.1 | -14.7 | 0 | 0 | 0 | 125 | |||||
| 467 | L | 31.8 | Very low | 29.8 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | 62.9 | 105.8 | 129.1 | -73.9 | 159.7 | 0 | 0 | 0 | 123.7 | |||||
| 468 | L | 29.1 | Very low | 30 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | 27.7 | 144.4 | 115.4 | -147.9 | 76.3 | 0 | 0 | 0 | 122.5 | |||||
| 469 | E | 30 | Very low | 30.3 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | 92.8 | 121.1 | 139.5 | -135.7 | 169.6 | -109.7 | 0 | 0 | 121.4 | ||||
| 470 | K | 31.9 | Very low | 30.6 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | -159.5 | 155.1 | 125.9 | -113.4 | 166.3 | -169.7 | 170.5 | 0 | 113 | |||||
| 471 | T | 27.7 | Very low | 30.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | -95 | 168.3 | -172.2 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 472 | D | 31.7 | Very low | 31.1 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | 156.4 | 152.2 | 131.3 | -80.2 | -0.2 | 0 | 0 | 0 | 110.5 | ||||
| 473 | S | 28.5 | Very low | 31.3 | Very low | 83 Ų | 83 | 140 Ų | 140 | 58% | 0.58 | 73% | 0.73 | S | S | * | * | cis | -166.7 | 178.1 | -22.5 | 55.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 474 | H | 32.9 | Very low | 31.6 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | 73.5 | 156.2 | 176 | -58 | -87.5 | 0 | 0 | 0 | 119.1 | ||||
| 475 | K | 29.7 | Very low | 31.8 | Very low | 188 Ų | 188 | 143 Ų | 143 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | 170.3 | 91.9 | -51.9 | 172.5 | -176.2 | 178.6 | 180 | 0 | 111.1 | |||||
| 476 | S | 33.3 | Very low | 32 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -174.2 | 103.3 | 157.4 | 51.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 477 | N | 31.9 | Very low | 32 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | 70.7 | 118.6 | 76.9 | -94.2 | 18.5 | 0 | 0 | 0 | 116.9 | |||||
| 478 | I | 34.8 | Very low | 32 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | 85.1 | 108.2 | 137.8 | -64.8 | 169.7 | 0 | 0 | 0 | 118.4 | ||||
| 479 | N | 32.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | trans | 50.1 | 145.5 | 131 | -64.2 | 54.9 | 0 | 0 | 0 | 121.1 | ||||
| 480 | D | 34.8 | Very low | 32.5 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | cis | -139.8 | 178.1 | -14.4 | -81.3 | -43.3 | 0 | 0 | 0 | 105 | ||||
| 481 | E | 34.2 | Very low | 32.7 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | cis | -175.2 | 172.9 | 41.9 | -163.2 | -176.6 | -125.2 | 0 | 0 | 108.7 | ||||
| 482 | N | 33.8 | Very low | 33 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | 76.4 | 108.7 | 160.6 | -61.9 | -55.3 | 0 | 0 | 0 | 121.4 | ||||
| 483 | D | 33.4 | Very low | 33.2 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | 125.1 | 134.9 | 113.6 | -149.1 | 10.6 | 0 | 0 | 0 | 118.1 | |||||
| 484 | K | 33 | Very low | 33.4 | Very low | 170 Ų | 170 | 137 Ų | 137 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | 62.3 | 62 | 169.2 | -56.3 | -176.8 | -178.1 | 69.7 | 0 | 119.7 | ||||
| 485 | T | 33.5 | Very low | 33.4 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -75.4 | 139.1 | 159 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 486 | V | 33.4 | Very low | 33.8 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | trans | -68.8 | 132.5 | 171.9 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | T488 | V486-T488 PolarHBondContact O-N 3.49Å; V486-T488 VanDerWaalsContact O-N 3.15Å | ||
| 487 | C | 30 | Very low | 33.8 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -80.4 | 94.1 | 176.9 | -169 | 0 | 0 | 0 | 0 | 111 | ||||
| 488 | T | 31.5 | Very low | 34 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 134.1 | 164.5 | 37.6 | 0 | 0 | 0 | 0 | 110 | V486 | V486-T488 PolarHBondContact O-N 3.49Å; V486-T488 VanDerWaalsContact O-N 3.15Å |
| 489 | P | 33.9 | Very low | 34.1 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 145.1 | 169 | 29.5 | -33.6 | 0 | 0 | 0 | 109.7 | ||
| 490 | P | 37.3 | Very low | 34.4 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 152.7 | 178.6 | 29 | -35.4 | 0 | 0 | 0 | 111.2 | I492 | P490-I492 PolarHBondContact O-N 3.4Š|
| 491 | P | 34.9 | Very low | 34.6 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.4 | 169.5 | 27.3 | -33.2 | 0 | 0 | 0 | 109 | N493 | P491-N493 PolarHBondContact O-N 2.84Å; P491-N493 VanDerWaalsContact O-N 3.12Å |
| 492 | I | 34.2 | Very low | 35.3 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | -70.4 | 110.6 | 175.4 | -69.2 | 177.3 | 0 | 0 | 0 | 107.9 | P490 L494 | P490-I492 PolarHBondContact O-N 3.4Å; I492-L494 HydrophobicContact CG2-CD2 4.34Å; I492-L494 HydrophobicContact CG2-CG 4.41Å; I492-L494 PolarHBondContact O-N 3.14Å | ||
| 493 | N | 35.1 | Very low | 35.8 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -67.4 | 119.2 | 172.5 | -175.3 | -0.8 | 0 | 0 | 0 | 109.3 | P491 A495 | P491-N493 PolarHBondContact O-N 2.84Å; P491-N493 VanDerWaalsContact O-N 3.12Å; N493-A495 VanDerWaalsContact OD1-CB 3.23Å; N493-A495 WeakPolarHBondContact OD1-CB 3.29Å; N493-A495 PolarHBondContact OD1-N 2.78Å; N493-A495 VanDerWaalsContact OD1-N 3.08Å | ||
| 494 | L | 34.1 | Very low | 36.7 | Very low | 141 Ų | 141 | 131 Ų | 131 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -100.3 | 13.5 | -178.4 | -75.7 | 168.8 | 0 | 0 | 0 | 113.4 | I492 G496 | I492-L494 HydrophobicContact CG2-CD2 4.34Å; I492-L494 HydrophobicContact CG2-CG 4.41Å; I492-L494 PolarHBondContact O-N 3.14Å; L494-G496 PolarHBondContact O-N 3.37Å | ||
| 495 | A | 32.7 | Very low | 37.5 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 59.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N493 | N493-A495 VanDerWaalsContact OD1-CB 3.23Å; N493-A495 WeakPolarHBondContact OD1-CB 3.29Å; N493-A495 PolarHBondContact OD1-N 2.78Å; N493-A495 VanDerWaalsContact OD1-N 3.08Å |
| 496 | G | 38 | Very low | 38.7 | Very low | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.8 | 20.3 | -175 | 0 | 0 | 0 | 0 | 0 | 116.4 | L494 | L494-G496 PolarHBondContact O-N 3.37Š|
| 497 | Y | 32.6 | Very low | 40 | Very low | 222 Ų | 222 | 122.7 Ų | 122.7 | 87% | 0.871 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -123.2 | 125 | 163.3 | -103 | -93.7 | 0 | 0 | 0 | 109.4 | ||
| 498 | E | 35.7 | Very low | 41.6 | Very low | 190 Ų | 190 | 123.6 Ų | 123.6 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -75.4 | 152 | -170.3 | -66.5 | 174.4 | 125.3 | 0 | 0 | 112.7 | S500 | E498-S500 PolarHBondContact O-N 2.97Š| ||
| 499 | Q | 37.2 | Very low | 43.4 | Very low | 165 Ų | 165 | 121 Ų | 121 | 77% | 0.771 | 69% | 0.69 | S | S | * | * | trans | -83.6 | 100.2 | -170.8 | -177.2 | 174.8 | 2.5 | 0 | 0 | 110.9 | D501 | Q499-D501 HydrophobicContact CG-CB 4.26Å; Q499-D501 VanDerWaalsContact CG-CG 3.5Å; Q499-D501 WeakPolarHBondContact CG-OD2 3.46Å; Q499-D501 PolarHBondContact NE2-OD2 3.44Å; Q499-D501 PolarHBondContact O-N 2.74Å | ||
| 500 | S | 38.1 | Very low | 45.2 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | trans | -96 | 62.7 | -179.3 | 67.5 | 0 | 0 | 0 | 0 | 112.5 | E498 | E498-S500 PolarHBondContact O-N 2.97Š| ||
| 501 | D | 40.9 | Very low | 46.9 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 51% | 0.508 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -1 | -167.3 | -78.8 | -5.6 | 0 | 0 | 0 | 115.7 | Q499 L503 S504 | Q499-D501 HydrophobicContact CG-CB 4.26Å; Q499-D501 VanDerWaalsContact CG-CG 3.5Å; Q499-D501 WeakPolarHBondContact CG-OD2 3.46Å; Q499-D501 PolarHBondContact NE2-OD2 3.44Å; Q499-D501 PolarHBondContact O-N 2.74Å; D501-L503 VanDerWaalsContact C-N 3.31Å; D501-L503 PolarHBondContact O-N 3.01Å; D501-S504 PolarHBondContact O-OG 2.94Å |
| 502 | D | 48.6 | Very low | 48.6 | Very low | 147 Ų | 147 | 118.1 Ų | 118.1 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.9 | -17 | -173.3 | -74.7 | -40 | 0 | 0 | 0 | 115.6 | ||
| 503 | L | 44.7 | Very low | 50.4 | Low | 147 Ų | 147 | 113.9 Ų | 113.9 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -88.1 | -20.9 | -172.8 | -70.4 | 174.6 | 0 | 0 | 0 | 114.9 | D501 S506 | D501-L503 VanDerWaalsContact C-N 3.31Å; D501-L503 PolarHBondContact O-N 3.01Å; L503-S506 PolarHBondContact O-OG 2.85Å |
| 504 | S | 52.1 | Low | 52 | Low | 76 Ų | 76 | 110.7 Ų | 110.7 | 53% | 0.531 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -77.9 | -44.5 | 176.3 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | D501 S506 F507 E508 | D501-S504 PolarHBondContact O-OG 2.94Å; S504-S506 VanDerWaalsContact C-N 3.33Å; S504-S506 PolarHBondContact O-N 3.34Å; S504-F507 PolarHBondContact O-N 3.44Å; S504-F507 VanDerWaalsContact O-N 3.08Å; S504-E508 PolarHBondContact O-N 2.81Å; S504-E508 VanDerWaalsContact O-N 3.11Å |
| 505 | A | 49.1 | Very low | 53.7 | Low | 60 Ų | 60 | 108.7 Ų | 108.7 | 50% | 0.496 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59 | -38.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F507 A509 | A505-F507 VanDerWaalsContact C-N 3.32Å; A505-F507 PolarHBondContact O-N 3.42Å; A505-A509 VanDerWaalsContact O-CB 3.23Å; A505-A509 WeakPolarHBondContact O-CB 3.4Å; A505-A509 PolarHBondContact O-N 3.49Å |
| 506 | S | 58.1 | Low | 55.5 | Low | 65 Ų | 65 | 111.2 Ų | 111.2 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.9 | -32.1 | 177.5 | 58 | 0 | 0 | 0 | 0 | 113.2 | L503 S504 S510 | L503-S506 PolarHBondContact O-OG 2.85Å; S504-S506 VanDerWaalsContact C-N 3.33Å; S504-S506 PolarHBondContact O-N 3.34Å; S506-S510 WeakPolarHBondContact O-CB 3.44Å; S506-S510 PolarHBondContact O-N 3.13Å; S506-S510 VanDerWaalsContact O-N 3.14Å; S506-S510 PolarHBondContact O-OG 3.48Å |
| 507 | F | 61.2 | Low | 57 | Low | 141 Ų | 141 | 115.2 Ų | 115.2 | 62% | 0.618 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.8 | -46.5 | 177.3 | -177.5 | -99.3 | 0 | 0 | 0 | 111.3 | S504 A505 A509 S510 L511 | S504-F507 PolarHBondContact O-N 3.44Å; S504-F507 VanDerWaalsContact O-N 3.08Å; A505-F507 VanDerWaalsContact C-N 3.32Å; A505-F507 PolarHBondContact O-N 3.42Å; F507-A509 PolarHBondContact O-N 3.44Å; F507-S510 PolarHBondContact O-N 2.79Å; F507-L511 HydrophobicContact CE1-CD2 4.44Å; F507-L511 WeakPolarHBondContact O-CB 3.25Å; F507-L511 PolarHBondContact O-N 3.33Å |
| 508 | E | 64.1 | Low | 58.2 | Low | 142 Ų | 142 | 108.7 Ų | 108.7 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.6 | -43 | 174.6 | -74.7 | -154.6 | 137.8 | 0 | 0 | 112.1 | S504 S510 L511 L512 | S504-E508 PolarHBondContact O-N 2.81Å; S504-E508 VanDerWaalsContact O-N 3.11Å; E508-S510 VanDerWaalsContact C-N 3.33Å; E508-S510 PolarHBondContact O-N 2.78Å; E508-L511 PolarHBondContact O-N 3.06Å; E508-L512 VanDerWaalsContact O-CB 3.25Å; E508-L512 WeakPolarHBondContact O-CB 3.3Å; E508-L512 PolarHBondContact O-N 3.48Å |
| 509 | A | 69.2 | Low | 59.2 | Low | 60 Ų | 60 | 105.4 Ų | 105.4 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.8 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A505 F507 A513 | A505-A509 VanDerWaalsContact O-CB 3.23Å; A505-A509 WeakPolarHBondContact O-CB 3.4Å; A505-A509 PolarHBondContact O-N 3.49Å; F507-A509 PolarHBondContact O-N 3.44Å; A509-A513 VanDerWaalsContact O-CB 3.29Å; A509-A513 WeakPolarHBondContact O-CB 3.28Å; A509-A513 PolarHBondContact O-N 3.14Å |
| 510 | S | 70.6 | Confident | 60.1 | Low | 72 Ų | 72 | 103.4 Ų | 103.4 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.7 | -39.1 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | S506 F507 E508 S514 | S506-S510 WeakPolarHBondContact O-CB 3.44Å; S506-S510 PolarHBondContact O-N 3.13Å; S506-S510 VanDerWaalsContact O-N 3.14Å; S506-S510 PolarHBondContact O-OG 3.48Å; F507-S510 PolarHBondContact O-N 2.79Å; E508-S510 VanDerWaalsContact C-N 3.33Å; E508-S510 PolarHBondContact O-N 2.78Å; S510-S514 WeakPolarHBondContact O-CB 3.46Å; S510-S514 PolarHBondContact O-N 3.35Å; S510-S514 PolarHBondContact O-OG 2.87Å |
| 511 | L | 73.9 | Confident | 60 | Low | 86 Ų | 86 | 101.7 Ų | 101.7 | 45% | 0.45 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.3 | -43.9 | 175.6 | -172.3 | 70.4 | 0 | 0 | 0 | 111.2 | F507 E508 S514 L515 | F507-L511 HydrophobicContact CE1-CD2 4.44Å; F507-L511 WeakPolarHBondContact O-CB 3.25Å; F507-L511 PolarHBondContact O-N 3.33Å; E508-L511 PolarHBondContact O-N 3.06Å; L511-S514 PolarHBondContact O-N 3.44Å; L511-L515 HydrophobicContact CG-CD1 4.21Å; L511-L515 WeakPolarHBondContact O-CB 3.11Å; L511-L515 WeakPolarHBondContact O-CG 3.45Å; L511-L515 PolarHBondContact O-N 2.92Å |
| 512 | L | 70.4 | Confident | 59.9 | Low | 126 Ų | 126 | 105.8 Ų | 105.8 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.8 | -39.6 | 178.2 | -161 | 80.5 | 0 | 0 | 0 | 111.6 | E508 K516 | E508-L512 VanDerWaalsContact O-CB 3.25Å; E508-L512 WeakPolarHBondContact O-CB 3.3Å; E508-L512 PolarHBondContact O-N 3.48Å; L512-K516 VanDerWaalsContact O-CB 3.22Å; L512-K516 WeakPolarHBondContact O-CB 3.46Å; L512-K516 PolarHBondContact O-N 3Å |
| 513 | A | 71.7 | Confident | 59 | Low | 55 Ų | 55 | 103.9 Ų | 103.9 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.9 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A509 K516 Q517 | A509-A513 VanDerWaalsContact O-CB 3.29Å; A509-A513 WeakPolarHBondContact O-CB 3.28Å; A509-A513 PolarHBondContact O-N 3.14Å; A513-K516 PolarHBondContact O-N 3.01Å; A513-Q517 PolarHBondContact O-N 3.03Å |
| 514 | S | 69.7 | Low | 58.5 | Low | 71 Ų | 71 | 104.4 Ų | 104.4 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.4 | -44.9 | 177 | -56.8 | 0 | 0 | 0 | 0 | 112 | S510 L511 K516 Q517 A518 | S510-S514 WeakPolarHBondContact O-CB 3.46Å; S510-S514 PolarHBondContact O-N 3.35Å; S510-S514 PolarHBondContact O-OG 2.87Å; L511-S514 PolarHBondContact O-N 3.44Å; S514-K516 VanDerWaalsContact C-N 3.35Å; S514-K516 PolarHBondContact O-N 3.17Å; S514-Q517 PolarHBondContact O-N 2.99Å; S514-A518 WeakPolarHBondContact O-CB 3.46Å; S514-A518 PolarHBondContact O-N 3.23Å |
| 515 | L | 68.4 | Low | 57.5 | Low | 99 Ų | 99 | 109.4 Ų | 109.4 | 52% | 0.518 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.9 | -38.1 | 174.5 | -76.4 | 168 | 0 | 0 | 0 | 112.2 | L511 A518 V519 | L511-L515 HydrophobicContact CG-CD1 4.21Å; L511-L515 WeakPolarHBondContact O-CB 3.11Å; L511-L515 WeakPolarHBondContact O-CG 3.45Å; L511-L515 PolarHBondContact O-N 2.92Å; L515-A518 PolarHBondContact O-N 3.34Å; L515-V519 VanDerWaalsContact O-CG2 3.31Å; L515-V519 WeakPolarHBondContact O-CG2 3.48Å; L515-V519 PolarHBondContact O-N 3.16Å; L515-V519 VanDerWaalsContact O-N 3.07Å |
| 516 | K | 72.3 | Confident | 56.8 | Low | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67 | -38 | 177.9 | -172.2 | 172.3 | -178.7 | 179.5 | 0 | 112.2 | L512 A513 S514 V519 L520 | L512-K516 VanDerWaalsContact O-CB 3.22Å; L512-K516 WeakPolarHBondContact O-CB 3.46Å; L512-K516 PolarHBondContact O-N 3Å; A513-K516 PolarHBondContact O-N 3.01Å; S514-K516 VanDerWaalsContact C-N 3.35Å; S514-K516 PolarHBondContact O-N 3.17Å; K516-V519 PolarHBondContact O-N 3.43Å; K516-L520 HydrophobicContact CG-CD1 4.05Å; K516-L520 PolarHBondContact O-N 3.48Å |
| 517 | Q | 68.3 | Low | 55.4 | Low | 151 Ų | 151 | 116 Ų | 116 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.3 | -43.5 | 170.4 | -76.4 | -178.5 | -34.5 | 0 | 0 | 111.7 | A513 S514 V519 L520 G521 | A513-Q517 PolarHBondContact O-N 3.03Å; S514-Q517 PolarHBondContact O-N 2.99Å; Q517-V519 PolarHBondContact O-N 3.02Å; Q517-V519 VanDerWaalsContact O-N 3.13Å; Q517-L520 PolarHBondContact O-N 3.13Å; Q517-L520 VanDerWaalsContact O-N 3.11Å; Q517-G521 PolarHBondContact O-N 2.94Å; Q517-G521 VanDerWaalsContact O-N 3.15Å |
| 518 | A | 57.9 | Low | 53.8 | Low | 84 Ų | 84 | 117.2 Ų | 117.2 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.4 | -15.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S514 L515 | S514-A518 WeakPolarHBondContact O-CB 3.46Å; S514-A518 PolarHBondContact O-N 3.23Å; L515-A518 PolarHBondContact O-N 3.34Å |
| 519 | V | 56.4 | Low | 52.2 | Low | 122 Ų | 122 | 117.3 Ų | 117.3 | 74% | 0.739 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -98.1 | -16.5 | 176 | 169.6 | 0 | 0 | 0 | 0 | 112.9 | L515 K516 Q517 | L515-V519 VanDerWaalsContact O-CG2 3.31Å; L515-V519 WeakPolarHBondContact O-CG2 3.48Å; L515-V519 PolarHBondContact O-N 3.16Å; L515-V519 VanDerWaalsContact O-N 3.07Å; K516-V519 PolarHBondContact O-N 3.43Å; Q517-V519 PolarHBondContact O-N 3.02Å; Q517-V519 VanDerWaalsContact O-N 3.13Å |
| 520 | L | 56 | Low | 50.2 | Low | 123 Ų | 123 | 123.1 Ų | 123.1 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -112.3 | 1.6 | -176.4 | -75.9 | 165.6 | 0 | 0 | 0 | 114.4 | K516 Q517 E522 | K516-L520 HydrophobicContact CG-CD1 4.05Å; K516-L520 PolarHBondContact O-N 3.48Å; Q517-L520 PolarHBondContact O-N 3.13Å; Q517-L520 VanDerWaalsContact O-N 3.11Å; L520-E522 VanDerWaalsContact C-N 3.32Å; L520-E522 PolarHBondContact O-N 2.73Å |
| 521 | G | 36.3 | Very low | 48.2 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | -75.4 | 72.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | Q517 | Q517-G521 PolarHBondContact O-N 2.94Å; Q517-G521 VanDerWaalsContact O-N 3.15Å | ||
| 522 | E | 38.8 | Very low | 46 | Very low | 181 Ų | 181 | 129.2 Ų | 129.2 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -63.6 | 147.4 | 158.9 | -70.3 | -171.3 | 125.2 | 0 | 0 | 110.3 | L520 I524 | L520-E522 VanDerWaalsContact C-N 3.32Å; L520-E522 PolarHBondContact O-N 2.73Å; E522-I524 PolarHBondContact O-N 3.3Å | ||
| 523 | A | 29.6 | Very low | 44 | Very low | 106 Ų | 106 | 128 Ų | 128 | 88% | 0.876 | 73% | 0.728 | S | S | * | * | trans | -75 | 114.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 524 | I | 35.5 | Very low | 42.1 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | -129.5 | 130.4 | 166.6 | -58 | -178.4 | 0 | 0 | 0 | 108.6 | E522 | E522-I524 PolarHBondContact O-N 3.3Š| ||
| 525 | E | 31.1 | Very low | 40.3 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -76.4 | 133.7 | -177.7 | -169.9 | 168.5 | -153 | 0 | 0 | 111 | D527 | E525-D527 PolarHBondContact O-N 3.35Š| ||
| 526 | P | 33.9 | Very low | 38.7 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -86.2 | 100 | -172.7 | 32.5 | -33.9 | 0 | 0 | 0 | 112.4 | L528 | P526-L528 PolarHBondContact O-N 2.94Š| ||
| 527 | D | 28.2 | Very low | 36.9 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -71.7 | 118 | 174.7 | -148.7 | -8.7 | 0 | 0 | 0 | 110.9 | E525 Q529 | E525-D527 PolarHBondContact O-N 3.35Å; D527-Q529 PolarHBondContact O-N 2.55Å | ||
| 528 | L | 27.9 | Very low | 35.2 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -84.4 | 100.9 | -169.8 | -85.8 | 166.7 | 0 | 0 | 0 | 112.2 | P526 | P526-L528 PolarHBondContact O-N 2.94Š| ||
| 529 | Q | 30.9 | Very low | 33.9 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -135.7 | 116.2 | 171.8 | -72 | -160.1 | 24.9 | 0 | 0 | 115.2 | D527 | D527-Q529 PolarHBondContact O-N 2.55Š| ||
| 530 | F | 26.9 | Very low | 32.8 | Very low | 181 Ų | 181 | 139 Ų | 139 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 52.7 | 117.5 | 158.9 | -50.9 | -68.2 | 0 | 0 | 0 | 119.6 | ||||
| 531 | L | 28.6 | Very low | 31.8 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | -173.6 | 93.7 | 100.3 | -96.9 | 168.4 | 0 | 0 | 0 | 111.8 | |||||
| 532 | S | 27.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -131.8 | 127.9 | 157 | 64.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 533 | S | 29.1 | Very low | 31.9 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -152.8 | 89.3 | -176.2 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 534 | S | 32.3 | Very low | 32.2 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -162.5 | 100.1 | 153.7 | -90.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 535 | K | 30.7 | Very low | 32.4 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | trans | 70.7 | 146 | 139.4 | -67.7 | 176 | 174.8 | 172.6 | 0 | 120.9 | ||||
| 536 | Q | 34.5 | Very low | 32.7 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 71.6 | 135 | 163 | -67.2 | 161.5 | -15.8 | 0 | 0 | 116.4 | ||||
| 537 | Q | 34.2 | Very low | 32.8 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 71% | 0.71 | 78% | 0.778 | S | S | * | * | cis | -160.5 | 147.5 | -12 | -124.9 | 175.2 | -22.5 | 0 | 0 | 111.9 | ||||
| 538 | I | 34.3 | Very low | 33.2 | Very low | 130 Ų | 130 | 148 Ų | 148 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | trans | 61.3 | 91.7 | 145.7 | -65.8 | 160.7 | 0 | 0 | 0 | 119.3 | ||||
| 539 | T | 29.2 | Very low | 33.7 | Very low | 136 Ų | 136 | 148 Ų | 148 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 44.9 | 129.6 | 130.6 | 63.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 540 | G | 34.6 | Very low | 34 | Very low | 75 Ų | 75 | 145.9 Ų | 145.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -166.8 | 127 | 156.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 541 | N | 34.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -71.4 | 169.6 | 172.4 | -84 | 41.1 | 0 | 0 | 0 | 112.1 | ||||
| 542 | D | 36.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | cis | -163.8 | 177.4 | 12 | -134 | -45.3 | 0 | 0 | 0 | 115 | ||||
| 543 | H | 40 | Very low | 35.2 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | 71.6 | 96.5 | 147.3 | -65.8 | 0.2 | 0 | 0 | 0 | 124.2 | ||||
| 544 | N | 36.1 | Very low | 35.9 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 29.3 | 126.6 | 119.7 | -61.6 | -46.9 | 0 | 0 | 0 | 124 | |||||
| 545 | N | 39.1 | Very low | 36.1 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | 172.1 | 126.8 | 126.7 | -87.4 | -36.8 | 0 | 0 | 0 | 109 | |||||
| 546 | K | 37.7 | Very low | 36.4 | Very low | 189 Ų | 189 | 141 Ų | 141 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | cis | 94.1 | 102.8 | 25.4 | -168.1 | -171.7 | 178.6 | -176.5 | 0 | 115.6 | ||||
| 547 | L | 36.3 | Very low | 36.5 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | trans | -159.1 | 169.6 | 148.2 | -111.3 | 161.5 | 0 | 0 | 0 | 111.9 | ||||
| 548 | R | 36 | Very low | 36.6 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 75% | 0.751 | 75% | 0.752 | S | S | * | * | trans | -112.5 | -174.6 | -171.8 | -66.4 | 172.8 | 118.6 | -153.4 | 5.4 | 109.9 | ||||
| 549 | E | 39.5 | Very low | 36.6 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | cis | -150.3 | 146.9 | 32.2 | -67.3 | -178 | 138.1 | 0 | 0 | 111.8 | ||||
| 550 | T | 37.3 | Very low | 37 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | 56.9 | 131.7 | 72.9 | 10 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 551 | I | 36.7 | Very low | 37.4 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | cis | -130 | -157.5 | 9 | -13.6 | 177.1 | 0 | 0 | 0 | 109.7 | ||||
| 552 | T | 35.4 | Very low | 37.5 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | cis | -152.6 | -169 | 14.8 | -23 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 553 | T | 34.1 | Very low | 37.4 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | -155.1 | -164 | -162.2 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 554 | P | 44.8 | Very low | 37.1 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | -140.8 | -170.2 | -68.9 | 41 | -21.6 | 0 | 0 | 0 | 117.6 | |||||
| 555 | M | 35.5 | Very low | 37 | Very low | 163 Ų | 163 | 148 Ų | 148 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | trans | 81.9 | 162.4 | 159.9 | -31.9 | -143.4 | 82 | 0 | 0 | 119.8 | ||||
| 556 | T | 37 | Very low | 36.8 | Very low | 106 Ų | 106 | 145 Ų | 145 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | cis | -151.2 | 148.8 | 16.2 | 22.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 557 | N | 37.2 | Very low | 36.6 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 50 | 138.3 | 140.5 | -57.1 | -14.4 | 0 | 0 | 0 | 121.5 | ||||
| 558 | A | 37.5 | Very low | 36.5 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | cis | -160.6 | -158.5 | 0.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 559 | K | 34.3 | Very low | 36.2 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | cis | -154 | -134.2 | 11.1 | -151.7 | 178.8 | -173.9 | -178.6 | 0 | 112.8 | ||||
| 560 | Y | 37 | Very low | 35.9 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 86% | 0.863 | 76% | 0.761 | S | S | * | * | trans | -155.8 | 178.3 | -156.7 | -81.6 | -61.1 | 0 | 0 | 0 | 113.3 | ||||
| 561 | P | 43.1 | Very low | 35.5 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 60% | 0.597 | 77% | 0.768 | S | S | * | * | -149.6 | -143.5 | -88.9 | 43 | -16.4 | 0 | 0 | 0 | 114.9 | |||||
| 562 | H | 35.6 | Very low | 35.3 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | 108.8 | 143.6 | 149.5 | -70.4 | -54.6 | 0 | 0 | 0 | 123.1 | ||||
| 563 | S | 36.2 | Very low | 35.2 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 59 | 127.5 | 164.4 | 50.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 564 | E | 33 | Very low | 35.2 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | cis | 107.4 | 151.1 | 17.2 | -162.6 | 177.4 | -101.5 | 0 | 0 | 114.4 | ||||
| 565 | I | 34.2 | Very low | 34.4 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | 98.9 | 93.2 | 170 | -54.2 | -179.2 | 0 | 0 | 0 | 119.4 | ||||
| 566 | S | 34.6 | Very low | 34.5 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | 63.5 | 120.9 | 136.4 | 78 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 567 | K | 33.9 | Very low | 34.4 | Very low | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | 55 | 109.2 | 127.8 | -60.9 | 178.6 | -179.5 | 179.3 | 0 | 121.5 | |||||
| 568 | S | 34.5 | Very low | 34 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | -179.5 | 147.7 | 106 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 569 | I | 29.4 | Very low | 33.6 | Very low | 162 Ų | 162 | 141 Ų | 141 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -91.4 | 137.6 | 175.1 | -68.9 | 166.7 | 0 | 0 | 0 | 107.6 | ||||
| 570 | P | 32.4 | Very low | 33.5 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -154 | 161.6 | 73.5 | 40.2 | -18.8 | 0 | 0 | 0 | 120.7 | |||||
| 571 | V | 29.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 25.7 | 117.3 | 147.1 | -173 | 0 | 0 | 0 | 0 | 120 | ||||
| 572 | P | 33.4 | Very low | 32.5 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -90.8 | 126.3 | 157.8 | 34.1 | -28.3 | 0 | 0 | 0 | 112.1 | ||||
| 573 | S | 32.3 | Very low | 32.4 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | -106.8 | 171.2 | 162.7 | 70.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 574 | Q | 35.1 | Very low | 32.2 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 87.9 | 121.1 | 174.8 | -52.5 | 177.1 | 16 | 0 | 0 | 116.4 | ||||
| 575 | S | 28.1 | Very low | 32 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -106.3 | 165.6 | 164 | 55.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 576 | P | 36.4 | Very low | 31.8 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -137.6 | 155.5 | 146.7 | 37.1 | -24.9 | 0 | 0 | 0 | 114.8 | ||||
| 577 | S | 35.2 | Very low | 31.6 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 36.6 | 103.1 | 155.5 | 56.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 578 | L | 28.9 | Very low | 31.5 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | 73 | 128 | 51.4 | -159.9 | 77.2 | 0 | 0 | 0 | 114.9 | |||||
| 579 | N | 29 | Very low | 31.5 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 67.8 | 97.6 | 167.5 | -66 | -27.1 | 0 | 0 | 0 | 119.2 | ||||
| 580 | H | 33 | Very low | 31.8 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | S | Bend | -147.8 | 141.1 | 119.7 | -112.5 | -81.9 | 0 | 0 | 0 | 112 | |||
| 581 | L | 30.2 | Very low | 31.9 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | 56.4 | 82 | 162 | -74.2 | 154.1 | 0 | 0 | 0 | 119 | K583 | L581-K583 PolarHBondContact O-N 2.67Å; L581-K583 VanDerWaalsContact O-N 3.17Å | ||
| 582 | K | 28.3 | Very low | 32.4 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -55.1 | 112.3 | 145.7 | -77.2 | 178.6 | 173.3 | 177.7 | 0 | 110.3 | ||||
| 583 | K | 33.7 | Very low | 32.6 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 87% | 0.87 | 75% | 0.746 | S | S | * | * | trans | -148.3 | 48.2 | 143.6 | -128.6 | 174 | -175.1 | -179 | 0 | 114.1 | L581 | L581-K583 PolarHBondContact O-N 2.67Å; L581-K583 VanDerWaalsContact O-N 3.17Å | ||
| 584 | N | 31 | Very low | 32.8 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | trans | 59 | 115.6 | 151.9 | -56.3 | 2.4 | 0 | 0 | 0 | 118.3 | L586 | N584-L586 PolarHBondContact O-N 3.45Š| ||
| 585 | M | 29.3 | Very low | 33 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 90% | 0.901 | 73% | 0.728 | S | S | * | * | trans | -76.8 | 56.3 | 176.4 | -56.7 | 172.4 | 74.1 | 0 | 0 | 112.1 | ||||
| 586 | L | 29.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | trans | -94.5 | -21.9 | -172.2 | -136 | 73.9 | 0 | 0 | 0 | 114.1 | N584 | N584-L586 PolarHBondContact O-N 3.45Š| ||
| 587 | N | 30.9 | Very low | 33.6 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -104.7 | 37.1 | -165.5 | -64.6 | 33.4 | 0 | 0 | 0 | 113.9 | ||
| 588 | T | 32.7 | Very low | 34 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -142.5 | -11.8 | -177.7 | -34.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 589 | I | 34.1 | Very low | 34.6 | Very low | 116 Ų | 116 | 131 Ų | 131 | 60% | 0.595 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -96.3 | -15.6 | -176.7 | -63 | 175.4 | 0 | 0 | 0 | 112.5 | ||
| 590 | E | 35.7 | Very low | 35 | Very low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.4 | -27.3 | -173.8 | -61.9 | -174.2 | 140 | 0 | 0 | 113.7 | ||
| 591 | N | 35 | Very low | 35.2 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 69% | 0.69 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.1 | -44.7 | -176.9 | -72.8 | -6.3 | 0 | 0 | 0 | 113.2 | K593 C594 | N591-K593 PolarHBondContact O-N 2.77Å; N591-C594 PolarHBondContact O-N 2.84Å; N591-C594 VanDerWaalsContact O-N 3.13Å |
| 592 | E | 38.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.2 | -24.1 | -175.7 | -64.4 | -173.8 | 148.2 | 0 | 0 | 113.3 | ||
| 593 | K | 37.2 | Very low | 36.1 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 65% | 0.652 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.2 | -29.5 | 175 | -82 | -174.8 | 173.2 | -179.2 | 0 | 113.5 | N591 V597 | N591-K593 PolarHBondContact O-N 2.77Å; K593-V597 WeakPolarHBondContact O-CG2 3.5Å |
| 594 | C | 37.1 | Very low | 36.4 | Very low | 78 Ų | 78 | 119.4 Ų | 119.4 | 53% | 0.527 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.3 | -43.1 | -178.8 | -73.4 | 0 | 0 | 0 | 0 | 111.9 | N591 I596 V597 V598 | N591-C594 PolarHBondContact O-N 2.84Å; N591-C594 VanDerWaalsContact O-N 3.13Å; C594-I596 PolarHBondContact O-N 3.04Å; C594-V597 PolarHBondContact O-N 3.44Å; C594-V598 WeakPolarHBondContact O-CG2 3.25Å; C594-V598 PolarHBondContact O-N 3.45Å |
| 595 | D | 39.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 64% | 0.642 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.6 | -36.8 | -176.9 | -76.9 | -34.6 | 0 | 0 | 0 | 112.9 | V598 A599 | D595-V598 PolarHBondContact O-N 3.42Å; D595-A599 WeakPolarHBondContact O-CB 3.24Å; D595-A599 PolarHBondContact O-N 3.13Å |
| 596 | I | 39.4 | Very low | 36.7 | Very low | 110 Ų | 110 | 117.8 Ų | 117.8 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.2 | -42.3 | 177 | -62 | 174.3 | 0 | 0 | 0 | 111.1 | C594 A599 L600 | C594-I596 PolarHBondContact O-N 3.04Å; I596-A599 PolarHBondContact O-N 3.04Å; I596-L600 HydrophobicContact CG2-CD1 4.07Å; I596-L600 WeakPolarHBondContact O-CB 3.24Å; I596-L600 WeakPolarHBondContact O-CG 3.45Å; I596-L600 PolarHBondContact O-N 2.91Å |
| 597 | V | 37.5 | Very low | 36.7 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.6 | -43.9 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | K593 C594 L600 Q601 | K593-V597 WeakPolarHBondContact O-CG2 3.5Å; C594-V597 PolarHBondContact O-N 3.44Å; V597-L600 PolarHBondContact O-N 3.2Å; V597-Q601 VanDerWaalsContact O-CB 3.3Å; V597-Q601 WeakPolarHBondContact O-CB 3.42Å; V597-Q601 PolarHBondContact O-N 2.98Å |
| 598 | V | 43.3 | Very low | 36.6 | Very low | 61 Ų | 61 | 115 Ų | 115 | 37% | 0.37 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.2 | -35.2 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 112 | C594 D595 K602 | C594-V598 WeakPolarHBondContact O-CG2 3.25Å; C594-V598 PolarHBondContact O-N 3.45Å; D595-V598 PolarHBondContact O-N 3.42Å; V598-K602 HydrophobicContact CG1-CD 4.32Å; V598-K602 WeakPolarHBondContact O-CB 3.34Å; V598-K602 WeakPolarHBondContact O-CG 3.45Å; V598-K602 PolarHBondContact O-N 3.44Å |
| 599 | A | 40.7 | Very low | 36.4 | Very low | 49 Ų | 49 | 118.8 Ų | 118.8 | 41% | 0.405 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.5 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D595 I596 Q601 K602 Q603 | D595-A599 WeakPolarHBondContact O-CB 3.24Å; D595-A599 PolarHBondContact O-N 3.13Å; I596-A599 PolarHBondContact O-N 3.04Å; A599-Q601 VanDerWaalsContact C-N 3.35Å; A599-Q601 PolarHBondContact O-N 3.5Å; A599-K602 PolarHBondContact O-N 3.18Å; A599-Q603 WeakPolarHBondContact O-CG 3.41Å; A599-Q603 PolarHBondContact O-N 2.91Å |
| 600 | L | 38.3 | Very low | 36.2 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 47% | 0.471 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62 | -42 | 175.6 | -71.9 | 169.3 | 0 | 0 | 0 | 111.5 | I596 V597 K602 Q603 I604 | I596-L600 HydrophobicContact CG2-CD1 4.07Å; I596-L600 WeakPolarHBondContact O-CB 3.24Å; I596-L600 WeakPolarHBondContact O-CG 3.45Å; I596-L600 PolarHBondContact O-N 2.91Å; V597-L600 PolarHBondContact O-N 3.2Å; L600-K602 VanDerWaalsContact C-N 3.31Å; L600-K602 PolarHBondContact O-N 3.23Å; L600-Q603 PolarHBondContact O-N 3.09Å; L600-I604 WeakPolarHBondContact O-CB 3.4Å; L600-I604 VanDerWaalsContact O-CG1 3.28Å; L600-I604 WeakPolarHBondContact O-CG1 3.4Å; L600-I604 PolarHBondContact O-N 2.79Å |
| 601 | Q | 36.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 119.2 Ų | 119.2 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.2 | -32.8 | 178.3 | -162.4 | 169.9 | 24.7 | 0 | 0 | 112.5 | V597 A599 | V597-Q601 VanDerWaalsContact O-CB 3.3Å; V597-Q601 WeakPolarHBondContact O-CB 3.42Å; V597-Q601 PolarHBondContact O-N 2.98Å; A599-Q601 VanDerWaalsContact C-N 3.35Å; A599-Q601 PolarHBondContact O-N 3.5Å |
| 602 | K | 40.2 | Very low | 35.9 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.6 | -35.7 | 171.2 | -76.8 | 174.6 | 178.1 | 173.6 | 0 | 113.3 | V598 A599 L600 | V598-K602 HydrophobicContact CG1-CD 4.32Å; V598-K602 WeakPolarHBondContact O-CB 3.34Å; V598-K602 WeakPolarHBondContact O-CG 3.45Å; V598-K602 PolarHBondContact O-N 3.44Å; A599-K602 PolarHBondContact O-N 3.18Å; L600-K602 VanDerWaalsContact C-N 3.31Å; L600-K602 PolarHBondContact O-N 3.23Å |
| 603 | Q | 38.3 | Very low | 35.6 | Very low | 137 Ų | 137 | 119.9 Ų | 119.9 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.2 | -38 | 176.7 | -74.3 | 178.5 | -14.3 | 0 | 0 | 112.2 | A599 L600 L605 | A599-Q603 WeakPolarHBondContact O-CG 3.41Å; A599-Q603 PolarHBondContact O-N 2.91Å; L600-Q603 PolarHBondContact O-N 3.09Å; Q603-L605 VanDerWaalsContact C-N 3.28Å; Q603-L605 PolarHBondContact O-N 3.41Å |
| 604 | I | 38.9 | Very low | 35.6 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 68% | 0.677 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.1 | -23.7 | 179.8 | -69.6 | 165.4 | 0 | 0 | 0 | 112.7 | L600 | L600-I604 WeakPolarHBondContact O-CB 3.4Å; L600-I604 VanDerWaalsContact O-CG1 3.28Å; L600-I604 WeakPolarHBondContact O-CG1 3.4Å; L600-I604 PolarHBondContact O-N 2.79Å |
| 605 | L | 36.5 | Very low | 35.4 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 72% | 0.717 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -94.8 | -10.7 | -177.7 | -79.6 | 167.8 | 0 | 0 | 0 | 115.5 | Q603 | Q603-L605 VanDerWaalsContact C-N 3.28Å; Q603-L605 PolarHBondContact O-N 3.41Å |
| 606 | N | 31.2 | Very low | 35.3 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | trans | -102.7 | 8.1 | -171.7 | -86 | 3.3 | 0 | 0 | 0 | 115.2 | S608 | N606-S608 VanDerWaalsContact C-N 3.31Å; N606-S608 PolarHBondContact O-N 2.86Å | ||
| 607 | V | 29.8 | Very low | 35 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | trans | -82.7 | 74.7 | -179.7 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | F609 | V607-F609 HydrophobicContact CG1-CD2 3.73Å; V607-F609 HydrophobicContact CG1-CE2 3.31Å; V607-F609 HydrophobicContact CG1-CZ 3.89Å | ||
| 608 | S | 26.8 | Very low | 34.8 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -86.6 | 102.8 | 166.9 | -62 | 0 | 0 | 0 | 0 | 110.2 | N606 | N606-S608 VanDerWaalsContact C-N 3.31Å; N606-S608 PolarHBondContact O-N 2.86Å | ||
| 609 | F | 29.1 | Very low | 34.4 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 82% | 0.816 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 130.3 | 163.8 | -71.9 | -64 | 0 | 0 | 0 | 109.5 | V607 | V607-F609 HydrophobicContact CG1-CD2 3.73Å; V607-F609 HydrophobicContact CG1-CE2 3.31Å; V607-F609 HydrophobicContact CG1-CZ 3.89Å |
| 610 | S | 30.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 119 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 110 | N612 | S610-N612 PolarHBondContact O-N 2.82Š|
| 611 | D | 29.5 | Very low | 33.5 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.8 | 168.2 | -60.3 | -48.6 | 0 | 0 | 0 | 110 | ||
| 612 | N | 34.3 | Very low | 33.2 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -151.5 | 88.1 | 171.6 | -163.4 | 19.8 | 0 | 0 | 0 | 109.5 | S610 N614 | S610-N612 PolarHBondContact O-N 2.82Å; N612-N614 PolarHBondContact O-N 3.19Å | ||
| 613 | D | 32.3 | Very low | 32.6 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -63.1 | 128.6 | -176.3 | -65.6 | -62.7 | 0 | 0 | 0 | 112.6 | ||||
| 614 | N | 37.8 | Very low | 32.1 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -159.3 | 93.8 | 152.4 | -101.9 | -53.8 | 0 | 0 | 0 | 113.6 | N612 | N612-N614 PolarHBondContact O-N 3.19Š| ||
| 615 | Y | 33.5 | Very low | 31.7 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 45.7 | 136.1 | 135 | -75.5 | -81.9 | 0 | 0 | 0 | 123.6 | ||||
| 616 | N | 36.5 | Very low | 31.4 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | 93.9 | 96.3 | 147.7 | -57.4 | -26.5 | 0 | 0 | 0 | 120.6 | ||||
| 617 | A | 33.2 | Very low | 31.3 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | 42.8 | 126.5 | 120 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 618 | G | 34.2 | Very low | 31.3 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 176.1 | 141.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 619 | D | 34 | Very low | 31.7 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -81.2 | 153.7 | -168.6 | -59.5 | -58.7 | 0 | 0 | 0 | 115.7 | ||||
| 620 | D | 29.6 | Very low | 31.8 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 63.2 | 163.1 | 143.9 | -78.2 | -15.7 | 0 | 0 | 0 | 123.4 | ||||
| 621 | T | 31.3 | Very low | 32 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 77.6 | 82.3 | 168.9 | 63.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 622 | T | 28.5 | Very low | 32.3 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | 53.1 | 126 | 122.5 | 53.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 623 | T | 28.6 | Very low | 32.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | 82.4 | 146.3 | 147.1 | 61.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 624 | T | 27.8 | Very low | 32.3 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 94.4 | 44.8 | 163 | 68.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 625 | D | 30.6 | Very low | 32.1 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -132.9 | 133.1 | 170.9 | 57.7 | -47.5 | 0 | 0 | 0 | 112 | ||||
| 626 | G | 31.1 | Very low | 32.4 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | cis | -162.2 | 144 | -13.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G628 | G626-G628 PolarHBondContact O-N 2.93Š| ||
| 627 | L | 29.1 | Very low | 32.4 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 99% | 0.99 | 78% | 0.776 | S | S | * | * | trans | -73.9 | 109.4 | -176.3 | -84.4 | 161.2 | 0 | 0 | 0 | 112 | ||||
| 628 | G | 29.7 | Very low | 32.4 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -150.8 | 141.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G626 | G626-G628 PolarHBondContact O-N 2.93Š| ||
| 629 | S | 33.9 | Very low | 32.4 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 68.5 | 56.3 | 172.3 | -151.1 | 0 | 0 | 0 | 0 | 118 | V631 | S629-V631 VanDerWaalsContact C-N 3.31Å; S629-V631 PolarHBondContact O-N 3.4Å | ||
| 630 | L | 32.3 | Very low | 32.6 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -82.9 | 5.4 | 172.6 | -152.6 | 86.3 | 0 | 0 | 0 | 114.7 | ||||
| 631 | V | 35.2 | Very low | 32.8 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -84.9 | -33.1 | -163.5 | -178.5 | 0 | 0 | 0 | 0 | 113.7 | S629 | S629-V631 VanDerWaalsContact C-N 3.31Å; S629-V631 PolarHBondContact O-N 3.4Å |
| 632 | Y | 34.2 | Very low | 32.9 | Very low | 206 Ų | 206 | 143 Ų | 143 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -18.6 | -172.6 | -146.5 | -96.7 | 0 | 0 | 0 | 114.6 | ||
| 633 | L | 36.6 | Very low | 33.2 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 57% | 0.565 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -19.7 | -175.9 | -93 | 158.6 | 0 | 0 | 0 | 114.3 | Y635 H636 L637 | L633-Y635 VanDerWaalsContact C-N 3.29Å; L633-Y635 PolarHBondContact O-N 2.86Å; L633-H636 PolarHBondContact O-N 3.28Å; L633-L637 HydrophobicContact CB-CD1 4.43Å; L633-L637 HydrophobicContact CD2-CD1 4.21Å; L633-L637 PolarHBondContact O-N 2.98Å |
| 634 | R | 31 | Very low | 33.2 | Very low | 220 Ų | 220 | 149.2 Ų | 149.2 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -70.2 | -20.9 | -170.6 | -150.1 | 171.7 | -166.7 | 165.5 | 5.5 | 114.2 | ||
| 635 | Y | 34.3 | Very low | 33.2 | Very low | 213 Ų | 213 | 151 Ų | 151 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -86.8 | -21.1 | -179.2 | -143.2 | -100.3 | 0 | 0 | 0 | 114.1 | L633 | L633-Y635 VanDerWaalsContact C-N 3.29Å; L633-Y635 PolarHBondContact O-N 2.86Å |
| 636 | H | 39 | Very low | 33.2 | Very low | 141 Ų | 141 | 152.4 Ų | 152.4 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -97.5 | -34.4 | 179.8 | -83.1 | -65.7 | 0 | 0 | 0 | 113.9 | L633 A638 | L633-H636 PolarHBondContact O-N 3.28Å; H636-A638 VanDerWaalsContact C-N 3.31Å; H636-A638 PolarHBondContact O-N 2.87Å |
| 637 | L | 35.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 159 Ų | 159 | 53% | 0.534 | 77% | 0.768 | S | S | . | * | H | α-helix | trans | -68.2 | -28.3 | 177.2 | -80.9 | 162 | 0 | 0 | 0 | 113.3 | L633 R639 H640 | L633-L637 HydrophobicContact CB-CD1 4.43Å; L633-L637 HydrophobicContact CD2-CD1 4.21Å; L633-L637 PolarHBondContact O-N 2.98Å; L637-R639 PolarHBondContact O-N 3.45Å; L637-R639 VanDerWaalsContact O-N 3.07Å; L637-H640 PolarHBondContact O-N 3Å; L637-H640 VanDerWaalsContact O-N 3.16Å |
| 638 | A | 33.8 | Very low | 33 | Very low | 76 Ų | 76 | 158.2 Ų | 158.2 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -17.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H636 | H636-A638 VanDerWaalsContact C-N 3.31Å; H636-A638 PolarHBondContact O-N 2.87Å |
| 639 | R | 34.1 | Very low | 32.9 | Very low | 179 Ų | 179 | 162.3 Ų | 162.3 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -5.8 | -179.7 | -130.3 | 173.3 | -177.2 | 157.9 | -4.1 | 114.3 | S443 L637 | S443-R639 PolarHBondContact OG-NH2 3.21Å; L637-R639 PolarHBondContact O-N 3.45Å; L637-R639 VanDerWaalsContact O-N 3.07Å |
| 640 | H | 37.6 | Very low | 32.8 | Very low | 166 Ų | 166 | 166.5 Ų | 166.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -100.9 | -7.3 | -178.2 | -98.7 | -82.3 | 0 | 0 | 0 | 115 | L637 | L637-H640 PolarHBondContact O-N 3Å; L637-H640 VanDerWaalsContact O-N 3.16Å |
| 641 | H | 34.9 | Very low | 32.8 | Very low | 157 Ų | 157 | 164.8 Ų | 164.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -106.4 | 27.5 | -172.4 | -98.2 | -70.1 | 0 | 0 | 0 | 115.2 | ||
| 642 | H | 34.1 | Very low | 32.4 | Very low | 173 Ų | 173 | 165.8 Ų | 165.8 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -130.8 | 15 | -179.7 | -93.6 | 34.4 | 0 | 0 | 0 | 114.8 | ||
| 643 | H | 33.3 | Very low | 32.2 | Very low | 181 Ų | 181 | 165.8 Ų | 165.8 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -134 | 44.4 | 177.6 | -98.3 | 18.7 | 0 | 0 | 0 | 113.4 | ||
| 644 | H | 29.9 | Very low | 31.9 | Very low | 188 Ų | 188 | 167.7 Ų | 167.7 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -150.6 | 162.3 | 153 | -90.3 | -77.1 | 0 | 0 | 0 | 107.8 | ||
| 645 | Q | 27.2 | Very low | 31.6 | Very low | 182 Ų | 182 | 162.7 Ų | 162.7 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | 74.5 | 59.1 | -176.7 | -57.1 | -175.6 | -14.1 | 0 | 0 | 117.5 | ||||
| 646 | H | 31.2 | Very low | 31.4 | Very low | 184 Ų | 184 | 160.1 Ų | 160.1 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -150.7 | 136.5 | 138.1 | -88.7 | -85.3 | 0 | 0 | 0 | 107.1 | ||||
| 647 | Y | 28.7 | Very low | 30.9 | Very low | 212 Ų | 212 | 159.8 Ų | 159.8 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | cis | -156.5 | 147.8 | -25.6 | -141.7 | -93 | 0 | 0 | 0 | 104.3 | ||||
| 648 | E | 26.5 | Very low | 30.6 | Very low | 172 Ų | 172 | 164.9 Ų | 164.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -81.3 | 163.1 | -172.7 | -61.3 | 177.7 | 126.4 | 0 | 0 | 113.4 | ||||
| 649 | H | 28.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 166.3 Ų | 166.3 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 44.4 | 120.7 | 164.8 | -81.4 | -87.7 | 0 | 0 | 0 | 119.7 | D651 | H649-D651 IonicContact CE1-OD2 2.8Å; H649-D651 IonicContact ND1-OD2 3.96Å; H649-D651 PolarHBondContact ND1-OD2 3.4Å; H649-D651 VanDerWaalsContact ND1-OD2 3.09Å | ||
| 650 | E | 30.8 | Very low | 30.2 | Very low | 202 Ų | 202 | 164.8 Ų | 164.8 | 94% | 0.944 | 77% | 0.774 | S | S | * | * | -143.1 | 161.2 | 108.7 | -81.2 | -144.3 | 137 | 0 | 0 | 109.4 | |||||
| 651 | D | 31.6 | Very low | 30 | Very low | 114 Ų | 114 | 159.7 Ų | 159.7 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | trans | -104 | 167.3 | -163.2 | -88.9 | -86.7 | 0 | 0 | 0 | 114.9 | H649 | H649-D651 IonicContact CE1-OD2 2.8Å; H649-D651 IonicContact ND1-OD2 3.96Å; H649-D651 PolarHBondContact ND1-OD2 3.4Å; H649-D651 VanDerWaalsContact ND1-OD2 3.09Å | ||
| 652 | Q | 26.6 | Very low | 29.9 | Very low | 150 Ų | 150 | 160.8 Ų | 160.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -12.1 | 137.8 | 162.3 | -52.3 | 165 | 35.1 | 0 | 0 | 118 | ||||
| 653 | Y | 30.1 | Very low | 29.6 | Very low | 207 Ų | 207 | 157.1 Ų | 157.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | 176.3 | 148.1 | 122.9 | -96.1 | -58.8 | 0 | 0 | 0 | 114.6 | |||||
| 654 | L | 30.2 | Very low | 29.4 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 58.2 | 138.4 | 165.5 | -85 | 54.8 | 0 | 0 | 0 | 118.6 | ||||
| 655 | V | 26.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 153.9 Ų | 153.9 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | cis | 97 | 125.1 | 14.9 | -177.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 656 | H | 29.2 | Very low | 29.4 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 70.6 | 155.1 | 172.2 | -74.8 | 18.5 | 0 | 0 | 0 | 116.6 | ||||
| 657 | E | 29.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 149 Ų | 149 | 62% | 0.621 | 74% | 0.742 | S | S | * | * | cis | -158.3 | 135.7 | -14.2 | -116.3 | -175.3 | 128.2 | 0 | 0 | 108.8 | ||||
| 658 | R | 27.8 | Very low | 29.3 | Very low | 209 Ų | 209 | 144.2 Ų | 144.2 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | 76.2 | 154.5 | 102.2 | -92.3 | -174 | 170.8 | 172.5 | -7.1 | 120.6 | |||||
| 659 | C | 30.8 | Very low | 29.5 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 72% | 0.716 | 72% | 0.721 | S | S | * | * | trans | 78.3 | 148.5 | 162.8 | -64.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 660 | D | 30.5 | Very low | 29.6 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | cis | -172.1 | 158.9 | -29.3 | -113.8 | -49.8 | 0 | 0 | 0 | 113.5 | ||||
| 661 | G | 32.3 | Very low | 29.5 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 71% | 0.711 | S | S | * | * | trans | 79 | 162 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 662 | H | 33.5 | Very low | 29.4 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | cis | -161.8 | 127.6 | -12.3 | -94.2 | -64.3 | 0 | 0 | 0 | 108.4 | ||||
| 663 | S | 28.2 | Very low | 29.5 | Very low | 96 Ų | 96 | 137 Ų | 137 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | 88.3 | 144.6 | 77.3 | -56.6 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 664 | L | 28.8 | Very low | 29.7 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | 70.3 | 157.5 | 175.5 | -79.8 | 99.5 | 0 | 0 | 0 | 118.6 | ||||
| 665 | L | 27.1 | Very low | 29.7 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | cis | 178.3 | 177.1 | -41.5 | -120.6 | 164.2 | 0 | 0 | 0 | 107.6 | ||||
| 666 | D | 28.6 | Very low | 30.2 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | trans | 67.3 | 149.9 | 160.4 | -74.6 | 7.6 | 0 | 0 | 0 | 118.8 | ||||
| 667 | M | 29.3 | Very low | 30.2 | Very low | 136 Ų | 136 | 134 Ų | 134 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | cis | -164.2 | 162.3 | -11.1 | -109.6 | -101 | -120.9 | 0 | 0 | 111.6 | ||||
| 668 | N | 29.9 | Very low | 30.3 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 60% | 0.599 | 71% | 0.712 | S | S | * | * | trans | 70.1 | 118.7 | 142.4 | -80.9 | -30.1 | 0 | 0 | 0 | 124 | ||||
| 669 | N | 29.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 130 Ų | 130 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | 88.7 | 123.6 | 116.9 | -77.3 | -34.1 | 0 | 0 | 0 | 123.3 | |||||
| 670 | Q | 30.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | 68.1 | 144.6 | 134.8 | -58.8 | 172.6 | 49.1 | 0 | 0 | 116.5 | ||||
| 671 | L | 29.6 | Very low | 30 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | cis | -155.2 | -179 | 2.5 | -143.2 | 49.6 | 0 | 0 | 0 | 106.7 | ||||
| 672 | L | 30 | Very low | 29.9 | Very low | 135 Ų | 135 | 136 Ų | 136 | 71% | 0.707 | 72% | 0.719 | S | S | * | * | cis | -155 | 161.3 | 11.6 | 178.8 | 58.6 | 0 | 0 | 0 | 110.9 | ||||
| 673 | T | 28.9 | Very low | 29.6 | Very low | 101 Ų | 101 | 134 Ų | 134 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | trans | -52.1 | 157.1 | 169.5 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 674 | K | 34.5 | Very low | 29.6 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | -168 | 130.5 | 71.6 | -85.7 | 172.9 | -176.1 | 164.8 | 0 | 116.4 | |||||
| 675 | S | 29.6 | Very low | 29.8 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | trans | 20.1 | 140.7 | 132.3 | 66.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 676 | K | 35.4 | Very low | 29.8 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 79% | 0.787 | 71% | 0.71 | S | S | * | * | -169.7 | 132.9 | 70.9 | -99.9 | -168.5 | 177.5 | -179.1 | 0 | 112.4 | |||||
| 677 | T | 30.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 133 Ų | 133 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | 55 | 133.9 | 93.4 | 67.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 678 | N | 31.9 | Very low | 29.9 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | cis | -141.3 | 169.4 | 7.7 | -78.1 | -29.2 | 0 | 0 | 0 | 109.4 | ||||
| 679 | T | 26.3 | Very low | 30.2 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | cis | 91.2 | 76.2 | 7 | 73.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 680 | C | 29.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 88% | 0.878 | 73% | 0.732 | S | S | * | * | trans | -152.7 | 145.4 | 154.2 | -76.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 681 | Q | 27.1 | Very low | 30.8 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | cis | 103 | 133.4 | -1 | -139.6 | -160.9 | 56.9 | 0 | 0 | 118.9 | ||||
| 682 | Q | 28.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | trans | 95.7 | 127.1 | 155.8 | -63.6 | -165.2 | 14.3 | 0 | 0 | 123.6 | ||||
| 683 | N | 28.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | 62.9 | 149.8 | 143.5 | -48.5 | -17.9 | 0 | 0 | 0 | 120 | ||||
| 684 | G | 26.9 | Very low | 31.5 | Very low | 57 Ų | 57 | 138 Ų | 138 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | cis | 167.4 | 175.6 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 685 | Y | 32.6 | Very low | 31.4 | Very low | 220 Ų | 220 | 137.3 Ų | 137.3 | 86% | 0.863 | 75% | 0.746 | S | S | * | * | trans | 71.2 | 150.9 | 169.3 | -53.7 | -73.6 | 0 | 0 | 0 | 118.6 | ||||
| 686 | T | 28 | Very low | 31.3 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | cis | -170.4 | 142.3 | -44.8 | 18.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 687 | C | 27.8 | Very low | 31 | Very low | 114 Ų | 114 | 138 Ų | 138 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 51.1 | 122.2 | 151.5 | -55.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 688 | R | 32.7 | Very low | 31 | Very low | 220 Ų | 220 | 138.8 Ų | 138.8 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | -179.8 | 125.2 | 119.3 | -88.7 | -140.9 | 142.7 | 119.3 | -0.2 | 109.6 | |||||
| 689 | D | 34.6 | Very low | 30.7 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | 73.3 | 119.8 | 81.4 | -52.8 | -4.3 | 0 | 0 | 0 | 110.6 | |||||
| 690 | E | 37.1 | Very low | 30.7 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | cis | -148.9 | 171.5 | -0.2 | -55.5 | -172.1 | 124.2 | 0 | 0 | 110.9 | ||||
| 691 | D | 36.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 27.4 | 151.4 | 145.9 | -53.2 | -11.5 | 0 | 0 | 0 | 122.3 | ||||
| 692 | D | 36.6 | Very low | 30.7 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | cis | -153.3 | -179.1 | 20.2 | -135.5 | 1.5 | 0 | 0 | 0 | 109.8 | ||||
| 693 | P | 36.2 | Very low | 30.7 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -131.8 | -172.2 | -137.3 | 33.7 | -8.3 | 0 | 0 | 0 | 117.1 | ||||
| 694 | A | 31.2 | Very low | 30.6 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | 73.4 | 147.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 695 | I | 31.4 | Very low | 30.7 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | cis | -121.9 | 130.2 | 7.6 | -63.5 | 167.1 | 0 | 0 | 0 | 109.9 | ||||
| 696 | L | 28.1 | Very low | 30.8 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -97.7 | 141.7 | 169.3 | -81.2 | 169.9 | 0 | 0 | 0 | 111.2 | ||||
| 697 | T | 29 | Very low | 30.8 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -76.6 | 151.5 | 152.6 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 698 | P | 29.7 | Very low | 30.8 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -133.1 | 167.4 | 136 | 36 | -26.2 | 0 | 0 | 0 | 112.1 | ||||
| 699 | S | 26.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -115.1 | 168.1 | 170.9 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 700 | R | 26.7 | Very low | 30.8 | Very low | 242 Ų | 242 | 139.7 Ų | 139.7 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | trans | 91.2 | 127.3 | 153.7 | -145 | 177.4 | -173.7 | 146.8 | -0.1 | 118.4 | ||||
| 701 | A | 26 | Very low | 30.5 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 90.7 | 150.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 702 | S | 30.5 | Very low | 30.2 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 76.2 | 92.4 | 155.5 | -62.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 703 | S | 27.6 | Very low | 30 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 65.7 | 147.4 | 105.9 | -133.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 704 | L | 28 | Very low | 29.8 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | 68.4 | 100.3 | 152.7 | -75.2 | 158.9 | 0 | 0 | 0 | 121.2 | ||||
| 705 | V | 28.5 | Very low | 29.7 | Very low | 105 Ų | 105 | 137 Ų | 137 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | 48.3 | 124.6 | 118.5 | 175.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 706 | H | 33.7 | Very low | 29.7 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | -174.6 | 156.9 | 127.4 | -98 | 79.5 | 0 | 0 | 0 | 107.3 | |||||
| 707 | Q | 29.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 133 Ų | 133 | 57% | 0.565 | 74% | 0.735 | S | S | * | * | cis | 176.5 | 148.9 | -39.7 | -130.5 | -160.5 | 24.4 | 0 | 0 | 105.3 | ||||
| 708 | R | 27.8 | Very low | 29.8 | Very low | 215 Ų | 215 | 133.9 Ų | 133.9 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | 67.5 | 151.5 | 170 | -61.2 | -176.9 | 169.7 | 112.9 | -0.8 | 116 | ||||
| 709 | T | 32.2 | Very low | 30 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | -165.6 | 176.1 | -4.2 | 14.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 710 | H | 34.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | cis | -132.3 | 173.2 | 1.4 | -110.5 | -87.1 | 0 | 0 | 0 | 107 | ||||
| 711 | S | 31.2 | Very low | 30.3 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | 50 | 141 | 67.8 | 121.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 712 | T | 30.1 | Very low | 30.5 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 64% | 0.644 | 73% | 0.728 | S | S | * | * | cis | -160.7 | 156.5 | -4.9 | -2.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 713 | D | 31.7 | Very low | 30.3 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | 62.6 | 161.1 | 158.4 | -46.9 | -35 | 0 | 0 | 0 | 116.7 | ||||
| 714 | D | 33.4 | Very low | 30.4 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | cis | -145.8 | 168.7 | 22.2 | -134.5 | -33.8 | 0 | 0 | 0 | 114.7 | ||||
| 715 | V | 28.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -71.1 | 160.7 | -165.2 | -170.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 716 | S | 31.2 | Very low | 30.3 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | 107.9 | 146 | 152.1 | -56.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 717 | Q | 31 | Very low | 30.2 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | -166.4 | 149.5 | -12.1 | -114.1 | 170.6 | 73.9 | 0 | 0 | 111.3 | ||||
| 718 | L | 28.1 | Very low | 30.3 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 64.7 | 157.6 | 158.2 | -57.6 | 164.3 | 0 | 0 | 0 | 116.5 | ||||
| 719 | V | 32.4 | Very low | 30.4 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | cis | -131.5 | 156.3 | 15.9 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 720 | T | 31.7 | Very low | 30.2 | Very low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -58.7 | 164.8 | 172.6 | 50 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 721 | G | 28.6 | Very low | 29.8 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | 152.2 | -168.5 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 722 | F | 30.2 | Very low | 29.7 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 87% | 0.873 | 78% | 0.777 | S | S | * | * | trans | 76.2 | 117.7 | 173.1 | -77.1 | -82.9 | 0 | 0 | 0 | 120.9 | ||||
| 723 | E | 25.2 | Very low | 29.6 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | -79.8 | 169.3 | 155.2 | -51.5 | 162.1 | 115.1 | 0 | 0 | 110.2 | ||||
| 724 | L | 30.1 | Very low | 29.6 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | -178 | 160.4 | 111 | -97.6 | 169.8 | 0 | 0 | 0 | 113.2 | |||||
| 725 | S | 24.8 | Very low | 29.4 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -94.3 | 150.1 | 174.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 726 | S | 30.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | 179.7 | 171.1 | 129.3 | 40.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 727 | H | 29.9 | Very low | 29.8 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -83 | -178.7 | -171.9 | -98.3 | -106.9 | 0 | 0 | 0 | 115.2 | ||||
| 728 | W | 31.8 | Very low | 29.9 | Very low | 252 Ų | 252 | 139.7 Ų | 139.7 | 96% | 0.955 | 80% | 0.795 | S | S | * | * | trans | 97.8 | 153.1 | 153.9 | -56.5 | 98 | 0 | 0 | 0 | 117.7 | ||||
| 729 | G | 30.8 | Very low | 30.1 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 119.9 | 91.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 730 | T | 27.3 | Very low | 29.8 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -74.6 | 148.9 | 169.7 | 38.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 731 | E | 26.2 | Very low | 29.6 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 80.9 | 144.7 | 140.2 | -78.7 | 179.9 | 153.2 | 0 | 0 | 124.5 | ||||
| 732 | T | 29.2 | Very low | 29.4 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | 74.6 | 94.2 | 153.9 | 48.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 733 | A | 28.2 | Very low | 29.5 | Very low | 89 Ų | 89 | 142.7 Ų | 142.7 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | 94.2 | 155.2 | 112.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 734 | N | 31 | Very low | 29.6 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 79.6 | 81.2 | 163.2 | -61.5 | -11.4 | 0 | 0 | 0 | 120.6 | ||||
| 735 | S | 30.5 | Very low | 29.3 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | 57.3 | 115.2 | 119.5 | 66.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 736 | S | 34.9 | Very low | 29.6 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | -166.5 | 131.4 | 110.9 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 737 | N | 32.8 | Very low | 29.3 | Very low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 35.4 | 143.6 | 143 | -44.7 | -14.3 | 0 | 0 | 0 | 119.9 | ||||
| 738 | E | 33 | Very low | 29.3 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -149.3 | 167.5 | 34.4 | -72.9 | -178.7 | 138.5 | 0 | 0 | 114.1 | ||||
| 739 | S | 32.5 | Very low | 29 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 64.2 | 96.4 | 163.3 | 62.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 740 | I | 26.1 | Very low | 28.9 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | trans | -100.5 | 151.3 | 171.7 | -64.6 | 157.2 | 0 | 0 | 0 | 109.5 | ||||
| 741 | S | 27.5 | Very low | 29.1 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -163.7 | 107.1 | 141.5 | -83.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 742 | Y | 24.2 | Very low | 29.4 | Very low | 220 Ų | 220 | 134.6 Ų | 134.6 | 86% | 0.863 | 80% | 0.797 | S | S | * | * | trans | -107.8 | 141.8 | 159.3 | -87.7 | -101.9 | 0 | 0 | 0 | 108.6 | ||||
| 743 | S | 31.8 | Very low | 29.5 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -150.8 | 106.7 | 156.4 | 56.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 744 | V | 28.4 | Very low | 29.6 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | 65.4 | 123.3 | 67.7 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 745 | C | 23.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -76.5 | 134.8 | 174.8 | -59 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 746 | E | 30.1 | Very low | 29.5 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -141.4 | 134.5 | 165.8 | -126 | 176.4 | -162.5 | 0 | 0 | 109.7 | I748 | E746-I748 HydrophobicContact CG-CD1 4Š| ||
| 747 | S | 25.1 | Very low | 29.4 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -125.8 | 98.9 | -178.2 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 748 | I | 29.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -126.2 | 149.4 | 170.4 | -72.8 | 93.6 | 0 | 0 | 0 | 108.7 | E746 | E746-I748 HydrophobicContact CG-CD1 4Š| ||
| 749 | S | 25.8 | Very low | 28.7 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -106.8 | 175.9 | -166.2 | -50.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 750 | S | 29.1 | Very low | 28.4 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 87.9 | 159.6 | 156.4 | 84.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 751 | P | 32.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | cis | -124.8 | 174.3 | -12 | 17.7 | 6.6 | 0 | 0 | 0 | 115.1 | ||||
| 752 | L | 31.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -94.9 | 168 | 179 | -135.2 | 79.2 | 0 | 0 | 0 | 113.2 | ||||
| 753 | P | 32.6 | Very low | 28.6 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | -133.5 | 138.8 | 109.9 | 11.4 | 10.4 | 0 | 0 | 0 | 113 | |||||
| 754 | Q | 29.7 | Very low | 28.3 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 59.5 | 130.5 | 83.2 | -61.5 | -177.9 | 1.7 | 0 | 0 | 113.6 | |||||
| 755 | S | 28.1 | Very low | 28.2 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | cis | -141.9 | 172.6 | 14.9 | -64.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 756 | Y | 31.8 | Very low | 28.5 | Very low | 199 Ų | 199 | 140 Ų | 140 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | cis | -150.6 | 131.6 | 39.2 | -77.1 | -97.8 | 0 | 0 | 0 | 114.5 | ||||
| 757 | Q | 30.9 | Very low | 28.2 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 64.5 | 127.3 | 131.3 | -65.6 | -175.3 | -29.4 | 0 | 0 | 122.9 | ||||
| 758 | L | 23.5 | Very low | 28.4 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -89.8 | 157.2 | 168.3 | -63.4 | 73.9 | 0 | 0 | 0 | 111.1 | Q760 | L758-Q760 HydrophobicContact CD2-CG 4.15Š| ||
| 759 | V | 29.2 | Very low | 28.1 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -130 | 127.3 | 131.9 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 760 | Q | 26 | Very low | 28.4 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | trans | -86 | 154.1 | 171.7 | -58 | 163.1 | -68.5 | 0 | 0 | 109.3 | L758 | L758-Q760 HydrophobicContact CD2-CG 4.15Š| ||
| 761 | H | 29.1 | Very low | 28.2 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -158.4 | 125.8 | 136 | -99 | -62 | 0 | 0 | 0 | 110.9 | ||||
| 762 | T | 23.4 | Very low | 28.2 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -101 | 127.6 | 173.1 | 43.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 763 | S | 30 | Very low | 27.9 | Very low | 122 Ų | 122 | 149 Ų | 149 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -159.4 | 141.5 | 161 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 764 | S | 25.4 | Very low | 28 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -102.6 | -178.3 | -174.3 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 765 | V | 25.3 | Very low | 28 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | trans | 74.2 | 97.3 | 163 | -175.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 766 | N | 29.3 | Very low | 28.3 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -172.4 | 156.9 | 100.6 | -106.8 | -39.9 | 0 | 0 | 0 | 113.9 | |||||
| 767 | Q | 25.5 | Very low | 28.4 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -79.9 | 138.6 | 158.9 | -63.4 | 166.4 | -47.2 | 0 | 0 | 108.7 | ||||
| 768 | M | 27.6 | Very low | 28.6 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | trans | -161.2 | 136 | 133.3 | -113.4 | 170.6 | -170.1 | 0 | 0 | 112.7 | ||||
| 769 | E | 24.6 | Very low | 29 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 141.4 | 166.9 | 173.6 | -179.3 | -155 | 0 | 0 | 111.3 | ||||
| 770 | L | 30.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -156.5 | 121.7 | 159.1 | -117.2 | 166.4 | 0 | 0 | 0 | 111.8 | ||||
| 771 | Q | 26.3 | Very low | 29.6 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 66% | 0.659 | 78% | 0.781 | S | S | * | * | trans | -80.6 | 157.6 | 174.9 | -58.1 | 166.7 | 11.9 | 0 | 0 | 110.1 | ||||
| 772 | N | 30.7 | Very low | 29.7 | Very low | 162 Ų | 162 | 140 Ų | 140 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -141.4 | 95.2 | 168.5 | -102 | -45.5 | 0 | 0 | 0 | 111.3 | ||||
| 773 | T | 26.9 | Very low | 30.2 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -90.2 | 142 | 166.1 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 774 | V | 33.5 | Very low | 30.2 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | -107.3 | 131.9 | 168.4 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 775 | S | 31.1 | Very low | 30.7 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -85.4 | 168.4 | -167.7 | -34.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 776 | V | 33.4 | Very low | 31 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | 175.3 | 115.7 | 117.9 | 150.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 777 | N | 33.6 | Very low | 31.1 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | 47.5 | 146 | 141.2 | -51 | -15.7 | 0 | 0 | 0 | 120.5 | ||||
| 778 | K | 36.4 | Very low | 31.6 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | cis | -166.5 | 142.8 | 26.1 | -142.3 | 169.8 | 176.8 | -173.7 | 0 | 112 | ||||
| 779 | E | 31.7 | Very low | 32.1 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 33.7 | 143.5 | 135.1 | -60.1 | -174.8 | 116.8 | 0 | 0 | 121.4 | ||||
| 780 | V | 32.5 | Very low | 32.5 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | cis | -172.2 | 151.3 | 8.8 | 108.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 781 | V | 35.5 | Very low | 32.7 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | trans | 72.4 | 117.3 | 148.4 | 162.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 782 | N | 31.2 | Very low | 33 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | trans | 57 | 151.7 | 132 | -59.5 | 9.7 | 0 | 0 | 0 | 122.4 | ||||
| 783 | N | 32.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 62% | 0.62 | 74% | 0.741 | S | S | * | * | cis | -159.6 | 155.9 | -6.5 | -113.6 | 0.7 | 0 | 0 | 0 | 112.6 | ||||
| 784 | N | 32.1 | Very low | 33 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | 44.7 | 108.3 | 143.8 | -54.6 | -4.4 | 0 | 0 | 0 | 120.5 | ||||
| 785 | N | 35.5 | Very low | 33 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 170.2 | 124.9 | 93.8 | -88 | -43.5 | 0 | 0 | 0 | 114.8 | |||||
| 786 | N | 31.6 | Very low | 33 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | 61.6 | 121.8 | 135.1 | -52.9 | -16.9 | 0 | 0 | 0 | 122.8 | ||||
| 787 | N | 31.3 | Very low | 32.8 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | 106 | 148.3 | 143.1 | -58.1 | -21.2 | 0 | 0 | 0 | 120.5 | ||||
| 788 | S | 36.4 | Very low | 33 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 68 | 85.1 | 175 | 45.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 789 | S | 37.1 | Very low | 33.3 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 40.8 | 101 | 131 | 60.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 790 | D | 33.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | 41.8 | 86.3 | 108.8 | -61.1 | -4.5 | 0 | 0 | 0 | 120 | |||||
| 791 | K | 34.9 | Very low | 36 | Very low | 185 Ų | 185 | 132.5 Ų | 132.5 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | 165.5 | 148.1 | 97.3 | -91.5 | 174.9 | -179.1 | -179.4 | 0 | 112.6 | |||||
| 792 | P | 30.6 | Very low | 37.7 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | trans | -74.6 | 154.3 | 171.6 | 32.9 | -34.8 | 0 | 0 | 0 | 111.8 | ||||
| 793 | F | 28.6 | Very low | 40 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | trans | -82 | 127.1 | -175.7 | -69 | -99.8 | 0 | 0 | 0 | 112.7 | I795 | F793-I795 PolarHBondContact O-N 3.07Š| ||
| 794 | D | 30.9 | Very low | 42.4 | Very low | 155 Ų | 155 | 121 Ų | 121 | 83% | 0.829 | 66% | 0.657 | S | S | * | * | trans | -75 | 108 | 164 | -89.3 | -52.6 | 0 | 0 | 0 | 110.3 | N796 | D794-N796 PolarHBondContact O-N 3.03Å; D794-N796 VanDerWaalsContact O-N 3.15Å | ||
| 795 | I | 32.6 | Very low | 44.9 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 82% | 0.815 | 64% | 0.635 | S | S | * | * | trans | -86.6 | 78.2 | 175.5 | -53.8 | 176.6 | 0 | 0 | 0 | 108.5 | F793 | F793-I795 PolarHBondContact O-N 3.07Š| ||
| 796 | N | 30.6 | Very low | 47.2 | Very low | 151 Ų | 151 | 113.6 Ų | 113.6 | 81% | 0.807 | 61% | 0.613 | S | S | * | * | trans | -154.6 | 29.3 | -178.6 | -118.1 | -19.5 | 0 | 0 | 0 | 114.9 | D794 | D794-N796 PolarHBondContact O-N 3.03Å; D794-N796 VanDerWaalsContact O-N 3.15Å | ||
| 797 | S | 29.2 | Very low | 49.5 | Very low | 78 Ų | 78 | 109.4 Ų | 109.4 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | trans | -99.6 | 89 | -179.7 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | H799 | S797-H799 VanDerWaalsContact C-N 3.3Å; S797-H799 VanDerWaalsContact CB-NE2 3.3Å; S797-H799 WeakPolarHBondContact CB-NE2 3.36Å; S797-H799 PolarHBondContact O-CD2 2.69Å; S797-H799 VanDerWaalsContact O-CD2 3.22Å; S797-H799 PolarHBondContact O-N 3.24Å; S797-H799 PolarHBondContact OG-CD2 3.4Å; S797-H799 PolarHBondContact OG-NE2 3.14Å | ||
| 798 | N | 38.4 | Very low | 51.4 | Low | 171 Ų | 171 | 106 Ų | 106 | 91% | 0.914 | 58% | 0.577 | S | S | * | * | trans | -69 | 87.1 | 161.9 | -80.8 | -1.8 | 0 | 0 | 0 | 109.4 | ||||
| 799 | H | 42.9 | Very low | 53.3 | Low | 154 Ų | 154 | 106.8 Ų | 106.8 | 71% | 0.713 | 57% | 0.571 | S | S | * | * | trans | -74.2 | 135 | 178.3 | -71.1 | -88 | 0 | 0 | 0 | 112.3 | S797 L801 | S797-H799 VanDerWaalsContact C-N 3.3Å; S797-H799 VanDerWaalsContact CB-NE2 3.3Å; S797-H799 WeakPolarHBondContact CB-NE2 3.36Å; S797-H799 PolarHBondContact O-CD2 2.69Å; S797-H799 VanDerWaalsContact O-CD2 3.22Å; S797-H799 PolarHBondContact O-N 3.24Å; S797-H799 PolarHBondContact OG-CD2 3.4Å; S797-H799 PolarHBondContact OG-NE2 3.14Å; H799-L801 PolarHBondContact O-N 2.95Å | ||
| 800 | G | 56.7 | Low | 55.3 | Low | 37 Ų | 37 | 102.8 Ų | 102.8 | 38% | 0.381 | 54% | 0.541 | S | S | . | . | S | Bend | trans | 89.4 | -37 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | D423 H424 | D423-G800 WeakPolarHBondContact OD1-CA 3.15Å; H424-G800 PolarHBondContact N-O 2.61Å |
| 801 | L | 64.4 | Low | 57.6 | Low | 124 Ų | 124 | 102.7 Ų | 102.7 | 65% | 0.649 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.9 | -168.3 | -63.7 | 174 | 0 | 0 | 0 | 114.4 | H799 | H799-L801 PolarHBondContact O-N 2.95Å |
| 802 | I | 71.3 | Confident | 60 | Low | 25 Ų | 25 | 94 Ų | 94 | 13% | 0.128 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 134.6 | 172 | -51.2 | -177.7 | 0 | 0 | 0 | 109.6 | S421 I422 H424 L427 L804 D815 | S421-I802 VanDerWaalsContact CA-O 3.32Å; S421-I802 WeakPolarHBondContact CA-O 3.43Å; I422-I802 PolarHBondContact N-O 2.82Å; I422-I802 PolarHBondContact O-N 2.87Å; H424-I802 HydrophobicContact CB-CD1 4Å; H424-I802 HydrophobicContact CB-CG1 4.44Å; L427-I802 HydrophobicContact CD1-CB 4.48Å; L427-I802 HydrophobicContact CD1-CD1 3.99Å; I802-L804 HydrophobicContact CG2-CD2 3.86Å; I802-L804 HydrophobicContact CG2-CG 4.21Å; I802-D815 HydrophobicContact CG2-CB 4.47Å |
| 803 | E | 78.4 | Confident | 62.7 | Low | 84 Ų | 84 | 89.9 Ų | 89.9 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.4 | 166.9 | -87.5 | -165.9 | -139.4 | 0 | 0 | 111 | R419 P816 | R419-E803 IonicContact NH1-OE2 2.69Å; R419-E803 PolarHBondContact NH1-OE2 2.83Å; E803-P816 WeakPolarHBondContact O-CD 3.32Å |
| 804 | L | 83.2 | Confident | 65.5 | Low | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 149.8 | -178 | -67.1 | 179.8 | 0 | 0 | 0 | 112.2 | R419 I420 L427 I802 Y813 D815 Y822 | R419-L804 VanDerWaalsContact CA-O 3.24Å; R419-L804 WeakPolarHBondContact CA-O 3.47Å; I420-L804 HydrophobicContact CG1-CB 3.95Å; I420-L804 PolarHBondContact N-O 3.3Å; I420-L804 PolarHBondContact O-N 2.93Å; L427-L804 HydrophobicContact CD1-CD1 3.69Å; L427-L804 HydrophobicContact CD2-CD1 3.46Å; L427-L804 VanDerWaalsContact CD2-CD1 3.46Å; L427-L804 HydrophobicContact CG-CD1 4.24Å; I802-L804 HydrophobicContact CG2-CD2 3.86Å; I802-L804 HydrophobicContact CG2-CG 4.21Å; L804-Y813 HydrophobicContact CD1-CG 4.35Å; L804-D815 HydrophobicContact CD2-CB 3.7Å; L804-Y822 HydrophobicContact CD2-CD2 3.91Å |
| 805 | I | 84.3 | Confident | 68.2 | Low | 34 Ų | 34 | 77.4 Ų | 77.4 | 17% | 0.174 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.5 | 177.2 | -55.2 | 174.6 | 0 | 0 | 0 | 109 | L417 R419 Y813 Y814 P816 | L417-I805 HydrophobicContact CB-CG2 4.25Å; L417-I805 HydrophobicContact CD2-CG2 3.88Å; R419-I805 HydrophobicContact CG-CG1 4.43Å; I805-Y813 CarbonylContact O-C 3.55Å; I805-Y813 WeakPolarHBondContact O-CA 3.35Å; I805-Y814 PolarHBondContact N-O 2.89Å; I805-Y814 PolarHBondContact O-N 3.36Å; I805-P816 HydrophobicContact CD1-CB 4.23Å; I805-P816 HydrophobicContact CD1-CG 4.04Å; I805-P816 HydrophobicContact CG1-CG 4.49Å |
| 806 | Y | 83 | Confident | 70.3 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 25% | 0.247 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 130.3 | 176 | -172.4 | -120.3 | 0 | 0 | 0 | 112.5 | Q418 P808 C812 Y813 | Q418-Y806 PolarHBondContact O-N 2.89Å; Y806-P808 HydrophobicContact CD1-CB 4.5Å; Y806-P808 HydrophobicContact CD1-CG 4.07Å; Y806-P808 HydrophobicContact CE1-CB 4.17Å; Y806-P808 HydrophobicContact CE1-CG 4.24Å; Y806-P808 WeakPolarHBondContact O-CD 3.49Å; Y806-C812 VanDerWaalsContact CD2-O 3.28Å; Y806-C812 WeakPolarHBondContact CD2-O 3.38Å; Y806-Y813 AromaticContact CD2-CD1 3.73Å; Y806-Y813 HydrophobicContact CD2-CD1 3.73Å; Y806-Y813 AromaticContact CD2-CE1 3.32Å; Y806-Y813 HydrophobicContact CD2-CE1 3.32Å; Y806-Y813 HydrophobicContact CD2-CE2 4.28Å; Y806-Y813 HydrophobicContact CD2-CG 4.35Å; Y806-Y813 AromaticContact CD2-CZ 3.65Å; Y806-Y813 HydrophobicContact CE2-CE1 4.24Å; Y806-Y813 HydrophobicContact CG-CD1 4.29Å; Y806-Y813 AromaticContact CG-CE1 3.86Å; Y806-Y813 HydrophobicContact CG-CE1 3.86Å |
| 807 | D | 80.2 | Confident | 72.6 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 22% | 0.219 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109 | 167 | -174.7 | -27.5 | 0 | 0 | 0 | 109.7 | I809 L810 K811 C812 | D807-I809 VanDerWaalsContact C-N 3.28Å; D807-I809 PolarHBondContact O-N 2.69Å; D807-I809 WeakPolarHBondContact OD1-CA 3.29Å; D807-I809 VanDerWaalsContact OD1-CB 3.3Å; D807-I809 WeakPolarHBondContact OD1-CB 3.13Å; D807-I809 PolarHBondContact OD1-N 3.01Å; D807-L810 HydrophobicContact CB-CB 4.46Å; D807-L810 PolarHBondContact OD1-N 2.83Å; D807-L810 VanDerWaalsContact OD1-N 3.14Å; D807-K811 WeakPolarHBondContact O-CA 3.35Å; D807-K811 PolarHBondContact O-N 3.22Å; D807-C812 PolarHBondContact N-O 3.22Å; D807-C812 PolarHBondContact O-N 2.69Å |
| 808 | P | 72.1 | Confident | 75 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 53% | 0.532 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -17.7 | 179.2 | -17.9 | 32.6 | 0 | 0 | 0 | 114.8 | Y806 | Y806-P808 HydrophobicContact CD1-CB 4.5Å; Y806-P808 HydrophobicContact CD1-CG 4.07Å; Y806-P808 HydrophobicContact CE1-CB 4.17Å; Y806-P808 HydrophobicContact CE1-CG 4.24Å; Y806-P808 WeakPolarHBondContact O-CD 3.49Å |
| 809 | I | 76 | Confident | 77.1 | Confident | 127 Ų | 127 | 63.8 Ų | 63.8 | 65% | 0.651 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -47.2 | -179 | -57.2 | 175.2 | 0 | 0 | 0 | 109.4 | A442 D807 | A442-I809 HydrophobicContact CB-CG2 3.92Å; D807-I809 VanDerWaalsContact C-N 3.28Å; D807-I809 PolarHBondContact O-N 2.69Å; D807-I809 WeakPolarHBondContact OD1-CA 3.29Å; D807-I809 VanDerWaalsContact OD1-CB 3.3Å; D807-I809 WeakPolarHBondContact OD1-CB 3.13Å; D807-I809 PolarHBondContact OD1-N 3.01Å |
| 810 | L | 79.8 | Confident | 79.1 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.9 | -179.8 | -58.4 | -178.6 | 0 | 0 | 0 | 113.6 | L435 K438 V439 A442 D807 C812 F821 | L435-L810 HydrophobicContact CD1-CD1 3.99Å; K438-L810 HydrophobicContact CB-CD2 4.36Å; K438-L810 WeakPolarHBondContact CD-O 3.41Å; K438-L810 PolarHBondContact NZ-O 3.05Å; V439-L810 HydrophobicContact CB-CD2 4.32Å; V439-L810 HydrophobicContact CG2-CD1 4.36Å; V439-L810 HydrophobicContact CG2-CD2 3.57Å; A442-L810 HydrophobicContact CB-CD2 4.45Å; D807-L810 HydrophobicContact CB-CB 4.46Å; D807-L810 PolarHBondContact OD1-N 2.83Å; D807-L810 VanDerWaalsContact OD1-N 3.14Å; L810-C812 WeakPolarHBondContact CB-SG 3.43Å; L810-F821 HydrophobicContact CD1-CE1 4.23Å |
| 811 | K | 81.9 | Confident | 80.6 | Confident | 148 Ų | 148 | 62.7 Ų | 62.7 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 56.4 | -173.6 | -59.4 | -178.9 | -179 | -179.9 | 0 | 110.8 | K438 D807 | K438-K811 PolarHBondContact NZ-O 2.94Å; D807-K811 WeakPolarHBondContact O-CA 3.35Å; D807-K811 PolarHBondContact O-N 3.22Å |
| 812 | C | 85.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 175.2 | 176.5 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | L430 K438 Y806 D807 L810 Y822 | L430-C812 HydrophobicContact CD1-CB 3.42Å; L430-C812 VanDerWaalsContact CD1-CB 3.42Å; K438-C812 HydrophobicContact CD-CB 4.47Å; Y806-C812 VanDerWaalsContact CD2-O 3.28Å; Y806-C812 WeakPolarHBondContact CD2-O 3.38Å; D807-C812 PolarHBondContact N-O 3.22Å; D807-C812 PolarHBondContact O-N 2.69Å; L810-C812 WeakPolarHBondContact CB-SG 3.43Å; C812-Y822 WeakPolarHBondContact CB-O 3.44Å |
| 813 | Y | 87.5 | Confident | 82.4 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145.2 | 178.5 | -60.6 | -78.3 | 0 | 0 | 0 | 110.3 | I420 L804 I805 Y806 F821 Y822 L824 | I420-Y813 HydrophobicContact CD1-CD1 3.57Å; I420-Y813 HydrophobicContact CD1-CE1 3.22Å; I420-Y813 HydrophobicContact CD1-CE2 4.43Å; I420-Y813 HydrophobicContact CD1-CG 4.31Å; I420-Y813 HydrophobicContact CG1-CD1 4.32Å; I420-Y813 HydrophobicContact CG1-CE1 4.29Å; L804-Y813 HydrophobicContact CD1-CG 4.35Å; I805-Y813 CarbonylContact O-C 3.55Å; I805-Y813 WeakPolarHBondContact O-CA 3.35Å; Y806-Y813 AromaticContact CD2-CD1 3.73Å; Y806-Y813 HydrophobicContact CD2-CD1 3.73Å; Y806-Y813 AromaticContact CD2-CE1 3.32Å; Y806-Y813 HydrophobicContact CD2-CE1 3.32Å; Y806-Y813 HydrophobicContact CD2-CE2 4.28Å; Y806-Y813 HydrophobicContact CD2-CG 4.35Å; Y806-Y813 AromaticContact CD2-CZ 3.65Å; Y806-Y813 HydrophobicContact CE2-CE1 4.24Å; Y806-Y813 HydrophobicContact CG-CD1 4.29Å; Y806-Y813 AromaticContact CG-CE1 3.86Å; Y806-Y813 HydrophobicContact CG-CE1 3.86Å; Y813-F821 CarbonylContact O-C 3.59Å; Y813-F821 VanDerWaalsContact O-CA 3.25Å; Y813-F821 WeakPolarHBondContact O-CA 3.38Å; Y813-Y822 PolarHBondContact N-O 3.21Å; Y813-Y822 PolarHBondContact O-N 3.15Å; Y813-L824 HydrophobicContact CD2-CD1 4.45Å; Y813-L824 HydrophobicContact CD2-CG 4.16Å; Y813-L824 HydrophobicContact CE2-CD1 3.5Å; Y813-L824 HydrophobicContact CE2-CG 3.63Å |
| 814 | Y | 87 | Confident | 82.6 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.4 | 176.7 | 174 | -103.2 | 0 | 0 | 0 | 109.4 | I805 P816 F821 | I805-Y814 PolarHBondContact N-O 2.89Å; I805-Y814 PolarHBondContact O-N 3.36Å; Y814-P816 HydrophobicContact CE1-CB 4.11Å; Y814-P816 WeakPolarHBondContact O-CD 3.48Å; Y814-F821 HydrophobicContact CD2-CD1 4.05Å; Y814-F821 HydrophobicContact CD2-CD2 4.25Å; Y814-F821 AromaticContact CD2-CE1 3.68Å; Y814-F821 HydrophobicContact CD2-CE1 3.68Å; Y814-F821 AromaticContact CD2-CE2 3.88Å; Y814-F821 HydrophobicContact CD2-CE2 3.88Å; Y814-F821 HydrophobicContact CD2-CG 4.34Å; Y814-F821 AromaticContact CD2-CZ 3.59Å; Y814-F821 HydrophobicContact CD2-CZ 3.59Å; Y814-F821 HydrophobicContact CE2-CE2 4.25Å; Y814-F821 HydrophobicContact CE2-CZ 4.19Å; Y814-F821 HydrophobicContact CG-CE1 4.16Å; Y814-F821 HydrophobicContact CG-CZ 4.42Å |
| 815 | D | 87 | Confident | 82.3 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.032 | 35% | 0.345 | C | S | . | . | trans | -91.9 | 113.2 | 172.4 | 175.1 | 7.6 | 0 | 0 | 0 | 109.8 | I802 L804 T817 S818 G819 R820 Y822 | I802-D815 HydrophobicContact CG2-CB 4.47Å; L804-D815 HydrophobicContact CD2-CB 3.7Å; D815-T817 VanDerWaalsContact CG-OG1 3.31Å; D815-T817 PolarHBondContact O-N 2.83Å; D815-T817 WeakPolarHBondContact OD1-CA 3.35Å; D815-T817 WeakPolarHBondContact OD1-CB 3.3Å; D815-T817 PolarHBondContact OD1-N 3.17Å; D815-T817 PolarHBondContact OD1-OG1 2.86Å; D815-T817 PolarHBondContact OD2-OG1 2.98Å; D815-S818 VanDerWaalsContact CG-OG 3.28Å; D815-S818 PolarHBondContact OD1-N 3.39Å; D815-S818 WeakPolarHBondContact OD2-CB 3.5Å; D815-S818 PolarHBondContact OD2-N 3.36Å; D815-S818 VanDerWaalsContact OD2-N 3.1Å; D815-S818 PolarHBondContact OD2-OG 3.07Å; D815-G819 VanDerWaalsContact O-CA 3.28Å; D815-G819 WeakPolarHBondContact O-CA 3.41Å; D815-G819 PolarHBondContact O-N 3.4Å; D815-R820 PolarHBondContact N-O 3.34Å; D815-Y822 HydrophobicContact CB-CD2 4.11Å; D815-Y822 HydrophobicContact CB-CE2 3.71Å | ||
| 816 | P | 77.6 | Confident | 82.3 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.3 | 178 | 32.5 | -36.4 | 0 | 0 | 0 | 113.9 | E803 I805 Y814 | E803-P816 WeakPolarHBondContact O-CD 3.32Å; I805-P816 HydrophobicContact CD1-CB 4.23Å; I805-P816 HydrophobicContact CD1-CG 4.04Å; I805-P816 HydrophobicContact CG1-CG 4.49Å; Y814-P816 HydrophobicContact CE1-CB 4.11Å; Y814-P816 WeakPolarHBondContact O-CD 3.48Å |
| 817 | T | 77.9 | Confident | 82.2 | Confident | 118 Ų | 118 | 68.6 Ų | 68.6 | 72% | 0.724 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -44.9 | -179.4 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | D815 | D815-T817 VanDerWaalsContact CG-OG1 3.31Å; D815-T817 PolarHBondContact O-N 2.83Å; D815-T817 WeakPolarHBondContact OD1-CA 3.35Å; D815-T817 WeakPolarHBondContact OD1-CB 3.3Å; D815-T817 PolarHBondContact OD1-N 3.17Å; D815-T817 PolarHBondContact OD1-OG1 2.86Å; D815-T817 PolarHBondContact OD2-OG1 2.98Å |
| 818 | S | 80.8 | Confident | 82.3 | Confident | 53 Ų | 53 | 70.1 Ų | 70.1 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -16.4 | 173 | 69.2 | 0 | 0 | 0 | 0 | 114.4 | D815 R820 | D815-S818 VanDerWaalsContact CG-OG 3.28Å; D815-S818 PolarHBondContact OD1-N 3.39Å; D815-S818 WeakPolarHBondContact OD2-CB 3.5Å; D815-S818 PolarHBondContact OD2-N 3.36Å; D815-S818 VanDerWaalsContact OD2-N 3.1Å; D815-S818 PolarHBondContact OD2-OG 3.07Å; S818-R820 PolarHBondContact O-N 3.14Å; S818-R820 WeakPolarHBondContact OG-CB 3.45Å; S818-R820 PolarHBondContact OG-N 3.04Å |
| 819 | G | 82.7 | Confident | 82.9 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | trans | 73.6 | 10.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D815 | D815-G819 VanDerWaalsContact O-CA 3.28Å; D815-G819 WeakPolarHBondContact O-CA 3.41Å; D815-G819 PolarHBondContact O-N 3.4Å | ||
| 820 | R | 84.7 | Confident | 83.4 | Confident | 122 Ų | 122 | 65.8 Ų | 65.8 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | trans | -95.2 | 160.5 | -175.1 | -63.9 | 171.4 | 174.6 | -129.5 | -13.4 | 112.2 | E429 D815 S818 Y822 | E429-R820 IonicContact OE1-CZ 3.4Å; E429-R820 IonicContact OE1-NE 3.89Å; E429-R820 IonicContact OE1-NH1 2.69Å; E429-R820 PolarHBondContact OE1-NH1 2.88Å; E429-R820 WeakPolarHBondContact OE2-CD 3.3Å; E429-R820 IonicContact OE2-CZ 3.66Å; E429-R820 IonicContact OE2-NE 3.94Å; E429-R820 IonicContact OE2-NH1 2.69Å; E429-R820 PolarHBondContact OE2-NH1 2.74Å; D815-R820 PolarHBondContact N-O 3.34Å; S818-R820 PolarHBondContact O-N 3.14Å; S818-R820 WeakPolarHBondContact OG-CB 3.45Å; S818-R820 PolarHBondContact OG-N 3.04Å; R820-Y822 HydrophobicContact CB-CD2 4.49Å; R820-Y822 HydrophobicContact CB-CE2 3.66Å; R820-Y822 WeakPolarHBondContact CD-OH 3.37Å | ||
| 821 | F | 87.6 | Confident | 83.6 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141.2 | 173.9 | -69.1 | -91 | 0 | 0 | 0 | 110.9 | L430 L435 L810 Y813 Y814 | L430-F821 HydrophobicContact CB-CB 4.22Å; L430-F821 HydrophobicContact CD1-CB 4.17Å; L430-F821 PolarHBondContact N-O 3.22Å; L435-F821 HydrophobicContact CD1-CB 3.9Å; L435-F821 HydrophobicContact CD1-CD1 3.89Å; L435-F821 HydrophobicContact CD1-CD2 3.69Å; L435-F821 HydrophobicContact CD1-CE1 4.3Å; L435-F821 HydrophobicContact CD1-CE2 4.14Å; L435-F821 HydrophobicContact CD1-CG 3.55Å; L435-F821 HydrophobicContact CD1-CZ 4.42Å; L435-F821 HydrophobicContact CD2-CD2 3.69Å; L435-F821 HydrophobicContact CD2-CE2 3.75Å; L435-F821 HydrophobicContact CD2-CG 4.42Å; L435-F821 HydrophobicContact CG-CD2 4.36Å; L810-F821 HydrophobicContact CD1-CE1 4.23Å; Y813-F821 CarbonylContact O-C 3.59Å; Y813-F821 VanDerWaalsContact O-CA 3.25Å; Y813-F821 WeakPolarHBondContact O-CA 3.38Å; Y814-F821 HydrophobicContact CD2-CD1 4.05Å; Y814-F821 HydrophobicContact CD2-CD2 4.25Å; Y814-F821 AromaticContact CD2-CE1 3.68Å; Y814-F821 HydrophobicContact CD2-CE1 3.68Å; Y814-F821 AromaticContact CD2-CE2 3.88Å; Y814-F821 HydrophobicContact CD2-CE2 3.88Å; Y814-F821 HydrophobicContact CD2-CG 4.34Å; Y814-F821 AromaticContact CD2-CZ 3.59Å; Y814-F821 HydrophobicContact CD2-CZ 3.59Å; Y814-F821 HydrophobicContact CE2-CE2 4.25Å; Y814-F821 HydrophobicContact CE2-CZ 4.19Å; Y814-F821 HydrophobicContact CG-CE1 4.16Å; Y814-F821 HydrophobicContact CG-CZ 4.42Å |
| 822 | Y | 88.2 | Confident | 83.7 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.2 | -175.1 | -64.3 | -83.5 | 0 | 0 | 0 | 111.9 | L427 K428 E429 L804 C812 Y813 D815 R820 | L427-Y822 HydrophobicContact CB-CD1 3.96Å; L427-Y822 HydrophobicContact CB-CG 4.44Å; K428-Y822 CarbonylContact O-C 3.53Å; K428-Y822 VanDerWaalsContact O-CA 3.3Å; K428-Y822 WeakPolarHBondContact O-CA 3.45Å; E429-Y822 HydrophobicContact CB-CD1 4.12Å; E429-Y822 HydrophobicContact CB-CE1 3.85Å; E429-Y822 HydrophobicContact CG-CE1 4.15Å; L804-Y822 HydrophobicContact CD2-CD2 3.91Å; C812-Y822 WeakPolarHBondContact CB-O 3.44Å; Y813-Y822 PolarHBondContact N-O 3.21Å; Y813-Y822 PolarHBondContact O-N 3.15Å; D815-Y822 HydrophobicContact CB-CD2 4.11Å; D815-Y822 HydrophobicContact CB-CE2 3.71Å; R820-Y822 HydrophobicContact CB-CD2 4.49Å; R820-Y822 HydrophobicContact CB-CE2 3.66Å; R820-Y822 WeakPolarHBondContact CD-OH 3.37Å |
| 823 | E | 85.8 | Confident | 83.6 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.3 | 169.8 | -164.5 | 154.7 | -117 | 0 | 0 | 108.2 | K428 L430 K438 | K428-E823 PolarHBondContact N-O 3.14Å; K428-E823 PolarHBondContact O-N 2.95Å; L430-E823 HydrophobicContact CD1-CB 4.26Å; L430-E823 HydrophobicContact CD2-CB 4.26Å; L430-E823 HydrophobicContact CG-CB 4.21Å; K438-E823 WeakPolarHBondContact CE-OE1 3.23Å; K438-E823 IonicContact NZ-OE1 2.69Å; K438-E823 PolarHBondContact NZ-OE1 3.24Å |
| 824 | L | 82.6 | Confident | 83.3 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 143.3 | 175.5 | -72.9 | 166.8 | 0 | 0 | 0 | 109.9 | I422 L427 Y813 | I422-L824 HydrophobicContact CD1-CD1 4.39Å; I422-L824 HydrophobicContact CD1-CD2 3.63Å; I422-L824 HydrophobicContact CG2-CD2 4.12Å; L427-L824 HydrophobicContact CD2-CD2 3.73Å; Y813-L824 HydrophobicContact CD2-CD1 4.45Å; Y813-L824 HydrophobicContact CD2-CG 4.16Å; Y813-L824 HydrophobicContact CE2-CD1 3.5Å; Y813-L824 HydrophobicContact CE2-CG 3.63Å |
| 825 | I | 77.4 | Confident | 82.9 | Confident | 171 Ų | 171 | 69.5 Ų | 69.5 | 88% | 0.877 | 38% | 0.381 | S | S | * | . | trans | -88.9 | 0 | 178.3 | -58.4 | 177.4 | 0 | 0 | 0 | 110.4 | S426 K428 | S426-I825 PolarHBondContact O-N 3.32Å; S426-I825 VanDerWaalsContact O-N 3.14Å; K428-I825 HydrophobicContact CB-CD1 4.16Å; K428-I825 HydrophobicContact CB-CG1 3.85Å |
Retrieved 825 of 825 residues in 1254.9 ms
(Link to these results)