| 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 | 36.5 | Very low | 36.4 | Very low | 242 Ų | 242 | 161.5 Ų | 161.5 | 100% | 1.192 | 84% | 0.843 | S | S | * | * | 0 | 102.1 | 0 | -71 | 171.3 | 177.3 | 0 | 0 | 105.1 | |||||
| 2 | T | 37.6 | Very low | 36.3 | Very low | 134 Ų | 134 | 154.3 Ų | 154.3 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | -156.1 | 128.4 | 62.2 | -51.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 3 | F | 34.4 | Very low | 36.1 | Very low | 193 Ų | 193 | 160.2 Ų | 160.2 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | trans | -84 | 134.7 | 172.3 | -101.3 | -102.6 | 0 | 0 | 0 | 109.4 | ||||
| 4 | V | 46.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 157.9 Ų | 157.9 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -105.2 | 105.8 | 162.7 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 5 | N | 34.5 | Very low | 35.8 | Very low | 134 Ų | 134 | 156 Ų | 156 | 72% | 0.717 | 83% | 0.826 | S | S | * | * | trans | -83.7 | 123.6 | 168.8 | -85.1 | -31.4 | 0 | 0 | 0 | 108.9 | ||||
| 6 | L | 42.2 | Very low | 35.8 | Very low | 160 Ų | 160 | 158.5 Ų | 158.5 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -110.9 | 108.5 | 158.6 | -148.3 | 85.9 | 0 | 0 | 0 | 108.5 | ||||
| 7 | L | 33 | Very low | 35.6 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | trans | -81.6 | 123 | 172.8 | -89.7 | 150.1 | 0 | 0 | 0 | 109.5 | ||||
| 8 | L | 34.5 | Very low | 35.5 | Very low | 163 Ų | 163 | 159.6 Ų | 159.6 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -122.8 | 112.1 | 154.7 | -86.7 | 165.6 | 0 | 0 | 0 | 108.9 | ||||
| 9 | K | 32.6 | Very low | 35.3 | Very low | 186 Ų | 186 | 161.1 Ų | 161.1 | 81% | 0.809 | 82% | 0.82 | S | S | * | * | trans | -70.3 | 121.8 | 167.8 | -78.9 | 174.6 | 170.9 | 177 | 0 | 108.8 | ||||
| 10 | N | 33.2 | Very low | 35.4 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | -179.3 | 139 | 125.4 | -101.8 | -17.9 | 0 | 0 | 0 | 111.8 | |||||
| 11 | T | 36.3 | Very low | 35.7 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 63.4 | 106.2 | 158.2 | 58.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 12 | G | 35.1 | Very low | 36 | Very low | 76 Ų | 76 | 151.8 Ų | 151.8 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | 74.6 | 120.5 | 128.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 13 | R | 32.8 | Very low | 36.8 | Very low | 231 Ų | 231 | 149.7 Ų | 149.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | 73.6 | 99.6 | 172.2 | -73.1 | -179.4 | 168.9 | 173.3 | -3.5 | 116.4 | N15 | R13-N15 VanDerWaalsContact C-N 3.33Å; R13-N15 PolarHBondContact O-N 3.42Å | ||
| 14 | V | 33.9 | Very low | 38.3 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -72.4 | 89.9 | 158.1 | -178.1 | 0 | 0 | 0 | 0 | 108 | F16 | V14-F16 HydrophobicContact CG1-CD2 4.02Å; V14-F16 HydrophobicContact CG1-CE2 3.94Å | ||
| 15 | N | 34.5 | Very low | 40.3 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -82 | 114.2 | 158.3 | -84.9 | -19.2 | 0 | 0 | 0 | 107.3 | R13 V17 | R13-N15 VanDerWaalsContact C-N 3.33Å; R13-N15 PolarHBondContact O-N 3.42Å; N15-V17 HydrophobicContact CB-CG2 4.48Å; N15-V17 PolarHBondContact O-N 2.66Å | ||
| 16 | F | 35.3 | Very low | 43.1 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -66.3 | 85.4 | 164.1 | -85.2 | -89.8 | 0 | 0 | 0 | 108.5 | V14 R18 | V14-F16 HydrophobicContact CG1-CD2 4.02Å; V14-F16 HydrophobicContact CG1-CE2 3.94Å; F16-R18 PolarHBondContact O-N 3.35Å; F16-R18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | V | 33.2 | Very low | 45.7 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | trans | -72.4 | 99.1 | 162.4 | -179.5 | 0 | 0 | 0 | 0 | 105.7 | N15 F19 | N15-V17 HydrophobicContact CB-CG2 4.48Å; N15-V17 PolarHBondContact O-N 2.66Å; V17-F19 VanDerWaalsContact C-N 3.29Å; V17-F19 HydrophobicContact CG1-CD2 4.32Å; V17-F19 HydrophobicContact CG1-CE2 4.31Å; V17-F19 PolarHBondContact O-N 2.74Å | ||
| 18 | R | 32.7 | Very low | 48.7 | Very low | 238 Ų | 238 | 130.6 Ų | 130.6 | 90% | 0.898 | 68% | 0.681 | S | S | * | * | trans | -59 | 101.2 | 159.2 | -90.4 | -175.6 | 173.6 | -176.5 | -1.6 | 106.1 | F16 S20 | F16-R18 PolarHBondContact O-N 3.35Å; F16-R18 VanDerWaalsContact O-N 3.09Å; R18-S20 PolarHBondContact O-N 3.34Å | ||
| 19 | F | 32.4 | Very low | 51.6 | Low | 189 Ų | 189 | 123.1 Ų | 123.1 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | trans | -62.7 | 93 | 157.6 | -80.3 | -87.4 | 0 | 0 | 0 | 106.3 | V17 | V17-F19 VanDerWaalsContact C-N 3.29Å; V17-F19 HydrophobicContact CG1-CD2 4.32Å; V17-F19 HydrophobicContact CG1-CE2 4.31Å; V17-F19 PolarHBondContact O-N 2.74Å | ||
| 20 | S | 37.6 | Very low | 54.6 | Low | 94 Ų | 94 | 121.3 Ų | 121.3 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | trans | -58.4 | 127.3 | 156.5 | -170.4 | 0 | 0 | 0 | 0 | 105.4 | R18 I22 | R18-S20 PolarHBondContact O-N 3.34Å; S20-I22 PolarHBondContact O-N 3.16Å; S20-I22 VanDerWaalsContact O-N 3.12Å | ||
| 21 | P | 42.2 | Very low | 57.6 | Low | 109 Ų | 109 | 116.8 Ų | 116.8 | 71% | 0.708 | 61% | 0.608 | S | S | * | * | trans | -54.7 | 128.5 | 170.1 | 25.5 | -30.8 | 0 | 0 | 0 | 105.8 | S23 | P21-S23 PolarHBondContact O-N 3.03Š| ||
| 22 | I | 42 | Very low | 60.2 | Low | 165 Ų | 165 | 111.8 Ų | 111.8 | 85% | 0.846 | 58% | 0.575 | S | S | * | * | trans | -56.3 | 98.8 | 173.2 | -63 | 168.9 | 0 | 0 | 0 | 105.3 | S20 R24 | S20-I22 PolarHBondContact O-N 3.16Å; S20-I22 VanDerWaalsContact O-N 3.12Å; I22-R24 PolarHBondContact O-N 3.44Å | ||
| 23 | S | 54.3 | Low | 62.6 | Low | 91 Ų | 91 | 116.1 Ų | 116.1 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | trans | -60.2 | 107.8 | 173.3 | 174.1 | 0 | 0 | 0 | 0 | 104.8 | P21 S25 | P21-S23 PolarHBondContact O-N 3.03Å; S23-S25 PolarHBondContact O-N 3.31Å | ||
| 24 | R | 65.4 | Low | 65.5 | Low | 227 Ų | 227 | 109 Ų | 109 | 86% | 0.857 | 56% | 0.556 | S | S | * | * | trans | -57.7 | 113.5 | 170.5 | -88.7 | -176.9 | 174.6 | 175.2 | -2.3 | 105.9 | I22 V26 | I22-R24 PolarHBondContact O-N 3.44Å; R24-V26 PolarHBondContact O-N 2.93Å | ||
| 25 | S | 87.8 | Confident | 68.4 | Low | 92 Ų | 92 | 106.1 Ų | 106.1 | 64% | 0.643 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 121.5 | 174.2 | 54.9 | 0 | 0 | 0 | 0 | 108.8 | S23 | S23-S25 PolarHBondContact O-N 3.31Š|
| 26 | V | 95 | Very high | 71.3 | Confident | 10 Ų | 10 | 100.7 Ų | 100.7 | 6% | 0.061 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 127.3 | 177.5 | 177 | 0 | 0 | 0 | 0 | 108.4 | R24 T35 L36 D307 M308 L311 | R24-V26 PolarHBondContact O-N 2.93Å; V26-T35 CarbonylContact O-C 3.52Å; V26-T35 WeakPolarHBondContact O-CA 3.28Å; V26-T35 WeakPolarHBondContact O-CB 3.1Å; V26-L36 PolarHBondContact O-N 3.46Å; V26-D307 HydrophobicContact CG2-CB 4.35Å; V26-M308 HydrophobicContact CG1-CB 3.89Å; V26-L311 HydrophobicContact CB-CD2 3.86Å; V26-L311 HydrophobicContact CG2-CB 4.21Å; V26-L311 HydrophobicContact CG2-CD2 3.73Å |
| 27 | A | 95.8 | Very high | 74.2 | Confident | 37 Ų | 37 | 95.1 Ų | 95.1 | 31% | 0.306 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 151.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S29 M308 | A27-S29 WeakPolarHBondContact CB-O 3.34Å; A27-S29 PolarHBondContact O-N 3.47Å; A27-M308 WeakPolarHBondContact O-CE 3.22Å |
| 28 | L | 95.8 | Very high | 77.3 | Confident | 4 Ų | 4 | 90.7 Ų | 90.7 | 2% | 0.021 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -28.8 | 174.3 | -69.7 | -178.3 | 0 | 0 | 0 | 112.3 | K34 L36 P114 F176 M308 | L28-K34 HydrophobicContact CD1-CB 3.98Å; L28-K34 HydrophobicContact CD1-CD 3.63Å; L28-K34 HydrophobicContact CD1-CG 3.69Å; L28-K34 HydrophobicContact CG-CB 4.43Å; L28-K34 HydrophobicContact CG-CG 4.36Å; L28-K34 WeakPolarHBondContact CG-O 3.44Å; L28-K34 PolarHBondContact N-O 3.33Å; L28-L36 HydrophobicContact CD2-CB 4.02Å; L28-L36 HydrophobicContact CD2-CD1 4.19Å; L28-P114 HydrophobicContact CD1-CG 4.43Å; L28-F176 HydrophobicContact CD2-CD1 4.47Å; L28-F176 HydrophobicContact CD2-CE1 3.69Å; L28-F176 HydrophobicContact CD2-CE2 4.4Å; L28-F176 HydrophobicContact CD2-CZ 3.65Å; L28-M308 WeakPolarHBondContact O-CE 3.42Å |
| 29 | S | 96.5 | Very high | 80.3 | Confident | 6 Ų | 6 | 84.3 Ų | 84.3 | 4% | 0.042 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 172.9 | 166.6 | 75.4 | 0 | 0 | 0 | 0 | 110.4 | A27 F31 E32 N173 | A27-S29 WeakPolarHBondContact CB-O 3.34Å; A27-S29 PolarHBondContact O-N 3.47Å; S29-F31 PolarHBondContact O-N 3.33Å; S29-F31 VanDerWaalsContact O-N 3.08Å; S29-F31 PolarHBondContact OG-N 3.04Å; S29-E32 WeakPolarHBondContact CB-OE2 3.48Å; S29-E32 PolarHBondContact O-N 3.1Å; S29-E32 PolarHBondContact OG-OE1 2.95Å; S29-E32 PolarHBondContact OG-OE2 3.33Å; S29-N173 VanDerWaalsContact CB-O 3.23Å; S29-N173 WeakPolarHBondContact CB-O 3.39Å |
| 30 | K | 94.8 | Very high | 83.4 | Confident | 149 Ų | 149 | 81.3 Ų | 81.3 | 65% | 0.648 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -7.2 | 173.3 | 69.1 | -175.2 | -179.4 | -170.2 | 0 | 114.7 | N173 | K30-N173 WeakPolarHBondContact CE-OD1 3.22Å; K30-N173 PolarHBondContact NZ-OD1 3.08Å |
| 31 | F | 95.5 | Very high | 86.3 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 23% | 0.228 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -6 | -174.8 | -56.3 | -74.7 | 0 | 0 | 0 | 113.5 | S29 W159 N173 Y174 Y538 | S29-F31 PolarHBondContact O-N 3.33Å; S29-F31 VanDerWaalsContact O-N 3.08Å; S29-F31 PolarHBondContact OG-N 3.04Å; F31-W159 HydrophobicContact CE1-CZ2 4.39Å; F31-W159 HydrophobicContact CE2-CH2 4.23Å; F31-W159 AromaticContact CE2-CZ2 3.71Å; F31-W159 HydrophobicContact CE2-CZ2 3.71Å; F31-W159 AromaticContact CZ-CH2 3.66Å; F31-W159 HydrophobicContact CZ-CH2 3.66Å; F31-W159 AromaticContact CZ-CZ2 3.51Å; F31-W159 HydrophobicContact CZ-CZ2 3.51Å; F31-N173 HydrophobicContact CE2-CB 3.92Å; F31-Y174 HydrophobicContact CD2-CD1 4.48Å; F31-Y174 AromaticContact CD2-CE1 3.45Å; F31-Y174 HydrophobicContact CD2-CE1 3.45Å; F31-Y174 VanDerWaalsContact CD2-CE1 3.45Å; F31-Y174 AromaticContact CD2-CZ 3.7Å; F31-Y174 WeakPolarHBondContact CD2-OH 3.25Å; F31-Y174 HydrophobicContact CE2-CE1 4.01Å; F31-Y174 AromaticContact CE2-CZ 3.88Å; F31-Y174 HydrophobicContact CG-CE1 4.35Å; F31-Y538 HydrophobicContact CB-CE1 4.15Å; F31-Y538 AromaticContact CD1-CD1 3.45Å; F31-Y538 HydrophobicContact CD1-CD1 3.45Å; F31-Y538 VanDerWaalsContact CD1-CD1 3.45Å; F31-Y538 HydrophobicContact CD1-CD2 4.45Å; F31-Y538 AromaticContact CD1-CE1 3.34Å; F31-Y538 HydrophobicContact CD1-CE1 3.34Å; F31-Y538 HydrophobicContact CD1-CE2 4.37Å; F31-Y538 HydrophobicContact CD1-CG 4.02Å; F31-Y538 AromaticContact CD1-CZ 3.84Å; F31-Y538 AromaticContact CE1-CD1 3.54Å; F31-Y538 HydrophobicContact CE1-CD1 3.54Å; F31-Y538 HydrophobicContact CE1-CD2 4.31Å; F31-Y538 AromaticContact CE1-CE1 3.94Å; F31-Y538 HydrophobicContact CE1-CE1 3.94Å; F31-Y538 AromaticContact CE1-CG 3.73Å; F31-Y538 HydrophobicContact CE1-CG 3.73Å; F31-Y538 HydrophobicContact CG-CD1 4.45Å; F31-Y538 HydrophobicContact CG-CE1 4.02Å; F31-Y538 HydrophobicContact CZ-CG 4.41Å |
| 32 | E | 91.1 | Very high | 89 | Confident | 27 Ų | 27 | 74 Ų | 74 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 139.3 | -164.9 | -62.6 | 137.8 | -179.3 | 0 | 0 | 110.8 | S29 K34 R88 P114 Y174 | S29-E32 WeakPolarHBondContact CB-OE2 3.48Å; S29-E32 PolarHBondContact O-N 3.1Å; S29-E32 PolarHBondContact OG-OE1 2.95Å; S29-E32 PolarHBondContact OG-OE2 3.33Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 2.99Å; E32-R88 IonicContact OE1-CZ 3.71Å; E32-R88 VanDerWaalsContact OE1-CZ 3.31Å; E32-R88 IonicContact OE1-NH1 3.53Å; E32-R88 PolarHBondContact OE1-NH1 2.81Å; E32-R88 IonicContact OE1-NH2 3.56Å; E32-R88 PolarHBondContact OE1-NH2 3.15Å; E32-R88 IonicContact OE2-NH1 3.99Å; E32-R88 PolarHBondContact OE2-NH1 3.21Å; E32-R88 VanDerWaalsContact OE2-NH1 3.11Å; E32-P114 HydrophobicContact CG-CB 4.05Å; E32-P114 HydrophobicContact CG-CG 4.39Å; E32-Y174 WeakPolarHBondContact OE1-CE1 3.5Å |
| 33 | D | 87 | Confident | 91.6 | Very high | 166 Ų | 166 | 71.6 Ų | 71.6 | 89% | 0.888 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -10.7 | 177 | -60.5 | -38.6 | 0 | 0 | 0 | 113.2 | T35 | D33-T35 PolarHBondContact O-N 3.47Å |
| 34 | K | 92.5 | Very high | 93.7 | Very high | 82 Ų | 82 | 68.3 Ų | 68.3 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.3 | -178.5 | -171.3 | 174.6 | 173 | -168.1 | 0 | 109.4 | L28 E32 D87 P114 | L28-K34 HydrophobicContact CD1-CB 3.98Å; L28-K34 HydrophobicContact CD1-CD 3.63Å; L28-K34 HydrophobicContact CD1-CG 3.69Å; L28-K34 HydrophobicContact CG-CB 4.43Å; L28-K34 HydrophobicContact CG-CG 4.36Å; L28-K34 WeakPolarHBondContact CG-O 3.44Å; L28-K34 PolarHBondContact N-O 3.33Å; E32-K34 VanDerWaalsContact C-N 3.29Å; E32-K34 PolarHBondContact O-N 2.99Å; K34-D87 PolarHBondContact NZ-O 3.05Å; K34-P114 HydrophobicContact CB-CG 4.18Å; K34-P114 HydrophobicContact CD-CG 3.78Å |
| 35 | T | 95.1 | Very high | 95.3 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 147.2 | -175.1 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | V26 D33 | V26-T35 CarbonylContact O-C 3.52Å; V26-T35 WeakPolarHBondContact O-CA 3.28Å; V26-T35 WeakPolarHBondContact O-CB 3.1Å; D33-T35 PolarHBondContact O-N 3.47Å |
| 36 | L | 95.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -72 | 126.8 | 171.5 | -179.4 | 51.3 | 0 | 0 | 0 | 110.5 | V26 L28 Y38 F176 M308 L311 | V26-L36 PolarHBondContact O-N 3.46Å; L28-L36 HydrophobicContact CD2-CB 4.02Å; L28-L36 HydrophobicContact CD2-CD1 4.19Å; L36-Y38 HydrophobicContact CD1-CD1 4.17Å; L36-Y38 HydrophobicContact CD1-CE1 3.92Å; L36-Y38 HydrophobicContact CD1-CE2 4.34Å; L36-Y38 HydrophobicContact CD1-CG 4.47Å; L36-Y38 HydrophobicContact CD2-CD2 4.21Å; L36-Y38 HydrophobicContact CD2-CE1 4.4Å; L36-Y38 HydrophobicContact CD2-CE2 3.53Å; L36-Y38 HydrophobicContact CG-CD2 4.13Å; L36-Y38 HydrophobicContact CG-CE1 4.42Å; L36-Y38 HydrophobicContact CG-CE2 3.94Å; L36-Y38 HydrophobicContact CG-CG 4.47Å; L36-F176 HydrophobicContact CD1-CD2 4Å; L36-F176 HydrophobicContact CD1-CE2 3.48Å; L36-F176 VanDerWaalsContact CD1-CE2 3.48Å; L36-F176 HydrophobicContact CD1-CZ 4.16Å; L36-F176 HydrophobicContact CD2-CD2 4.23Å; L36-M308 HydrophobicContact CD2-CG 4.25Å; L36-L311 HydrophobicContact CB-CD2 4.46Å; L36-L311 HydrophobicContact CD2-CD2 4.08Å; L36-L311 HydrophobicContact CG-CD2 4.19Å |
| 37 | D | 95.7 | Very high | 96 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | trans | -127.2 | 79.3 | -177.6 | -173.5 | -7.8 | 0 | 0 | 0 | 110.5 | D39 K40 L41 | D37-D39 VanDerWaalsContact C-N 3.27Å; D37-D39 PolarHBondContact O-N 3.39Å; D37-D39 PolarHBondContact OD1-N 3.47Å; D37-K40 HydrophobicContact CB-CB 4.23Å; D37-K40 VanDerWaalsContact CG-CB 3.4Å; D37-K40 PolarHBondContact O-N 3.31Å; D37-K40 WeakPolarHBondContact OD1-CB 3.39Å; D37-K40 PolarHBondContact OD1-N 3.19Å; D37-K40 WeakPolarHBondContact OD2-CB 3.49Å; D37-L41 PolarHBondContact O-N 2.99Å | ||
| 38 | Y | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -29.5 | 176 | -74.1 | -51.6 | 0 | 0 | 0 | 112.8 | L36 K40 L41 E42 P177 L311 A312 H315 L319 L320 | L36-Y38 HydrophobicContact CD1-CD1 4.17Å; L36-Y38 HydrophobicContact CD1-CE1 3.92Å; L36-Y38 HydrophobicContact CD1-CE2 4.34Å; L36-Y38 HydrophobicContact CD1-CG 4.47Å; L36-Y38 HydrophobicContact CD2-CD2 4.21Å; L36-Y38 HydrophobicContact CD2-CE1 4.4Å; L36-Y38 HydrophobicContact CD2-CE2 3.53Å; L36-Y38 HydrophobicContact CG-CD2 4.13Å; L36-Y38 HydrophobicContact CG-CE1 4.42Å; L36-Y38 HydrophobicContact CG-CE2 3.94Å; L36-Y38 HydrophobicContact CG-CG 4.47Å; Y38-K40 VanDerWaalsContact C-N 3.3Å; Y38-K40 PolarHBondContact O-N 3.13Å; Y38-L41 HydrophobicContact CD1-CD1 4.09Å; Y38-L41 PolarHBondContact O-N 3.1Å; Y38-L41 VanDerWaalsContact O-N 3.12Å; Y38-E42 WeakPolarHBondContact O-CB 3.39Å; Y38-E42 WeakPolarHBondContact O-CG 3.4Å; Y38-E42 PolarHBondContact O-N 3.42Å; Y38-P177 VanDerWaalsContact CE1-O 3.31Å; Y38-P177 WeakPolarHBondContact CE1-O 3.19Å; Y38-P177 PolarHBondContact OH-O 2.77Å; Y38-L311 HydrophobicContact CD2-CD1 4.45Å; Y38-L311 HydrophobicContact CD2-CD2 4.06Å; Y38-L311 HydrophobicContact CD2-CG 3.8Å; Y38-L311 HydrophobicContact CE2-CD2 4.25Å; Y38-L311 HydrophobicContact CE2-CG 3.95Å; Y38-A312 HydrophobicContact CE2-CB 4.21Å; Y38-H315 HydrophobicContact CD2-CB 4.26Å; Y38-H315 AromaticContact CD2-CD2 3.4Å; Y38-H315 VanDerWaalsContact CD2-CD2 3.4Å; Y38-H315 WeakPolarHBondContact CD2-CD2 3.49Å; Y38-H315 AromaticContact CD2-CG 3.9Å; Y38-H315 HydrophobicContact CG-CB 4.27Å; Y38-H315 AromaticContact CG-CD2 3.84Å; Y38-H315 AromaticContact CG-CG 3.94Å; Y38-L319 HydrophobicContact CD1-CD2 3.58Å; Y38-L319 HydrophobicContact CE1-CD2 4.17Å; Y38-L319 HydrophobicContact CG-CD2 4.45Å; Y38-L320 HydrophobicContact CE1-CD2 4.1Å |
| 39 | D | 96.6 | Very high | 96.1 | Very high | 105 Ų | 105 | 58.5 Ų | 58.5 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 179.2 | -68.7 | -34.1 | 0 | 0 | 0 | 110.7 | D37 H43 H315 | D37-D39 VanDerWaalsContact C-N 3.27Å; D37-D39 PolarHBondContact O-N 3.39Å; D37-D39 PolarHBondContact OD1-N 3.47Å; D39-H43 VanDerWaalsContact O-CB 3.31Å; D39-H43 WeakPolarHBondContact O-CB 3.37Å; D39-H43 PolarHBondContact O-N 2.88Å; D39-H315 IonicContact OD1-CE1 3.73Å; D39-H315 PolarHBondContact OD1-CE1 3.23Å |
| 40 | K | 97.2 | Very high | 96.2 | Very high | 126 Ų | 126 | 66.9 Ų | 66.9 | 55% | 0.548 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 171.7 | 178.9 | -175.2 | 175.5 | -171.6 | 0 | 112.2 | D37 Y38 H43 N44 | D37-K40 HydrophobicContact CB-CB 4.23Å; D37-K40 VanDerWaalsContact CG-CB 3.4Å; D37-K40 PolarHBondContact O-N 3.31Å; D37-K40 WeakPolarHBondContact OD1-CB 3.39Å; D37-K40 PolarHBondContact OD1-N 3.19Å; D37-K40 WeakPolarHBondContact OD2-CB 3.49Å; Y38-K40 VanDerWaalsContact C-N 3.3Å; Y38-K40 PolarHBondContact O-N 3.13Å; K40-H43 WeakPolarHBondContact O-CB 3.49Å; K40-H43 PolarHBondContact O-N 3.49Å; K40-N44 PolarHBondContact O-N 2.84Å |
| 41 | L | 98.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.9 | -67 | -177.3 | 0 | 0 | 0 | 111.4 | D37 Y38 N44 L45 S65 H66 L319 | D37-L41 PolarHBondContact O-N 2.99Å; Y38-L41 HydrophobicContact CD1-CD1 4.09Å; Y38-L41 PolarHBondContact O-N 3.1Å; Y38-L41 VanDerWaalsContact O-N 3.12Å; L41-N44 PolarHBondContact O-N 3.09Å; L41-L45 WeakPolarHBondContact O-CB 3.44Å; L41-L45 PolarHBondContact O-N 2.8Å; L41-S65 WeakPolarHBondContact O-CB 3.14Å; L41-H66 VanDerWaalsContact CD2-CE1 3.5Å; L41-H66 WeakPolarHBondContact CD2-CE1 3.42Å; L41-L319 HydrophobicContact CB-CD2 3.83Å; L41-L319 HydrophobicContact CD1-CD2 4.2Å |
| 42 | E | 98.2 | Very high | 96.4 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 174.8 | -74.5 | -174.3 | 177.8 | 0 | 0 | 112.6 | Y38 L45 N46 H315 S318 L319 | Y38-E42 WeakPolarHBondContact O-CB 3.39Å; Y38-E42 WeakPolarHBondContact O-CG 3.4Å; Y38-E42 PolarHBondContact O-N 3.42Å; E42-L45 PolarHBondContact O-N 2.94Å; E42-N46 VanDerWaalsContact O-CB 3.28Å; E42-N46 WeakPolarHBondContact O-CB 3.29Å; E42-N46 PolarHBondContact O-N 3.14Å; E42-N46 PolarHBondContact O-ND2 3.24Å; E42-H315 VanDerWaalsContact CD-ND1 3.33Å; E42-H315 IonicContact OE1-CE1 3.51Å; E42-H315 IonicContact OE1-CG 3.55Å; E42-H315 IonicContact OE1-ND1 3.49Å; E42-H315 PolarHBondContact OE1-ND1 3.45Å; E42-H315 IonicContact OE2-ND1 3.9Å; E42-S318 WeakPolarHBondContact OE1-CB 3.16Å; E42-S318 PolarHBondContact OE1-OG 3.28Å; E42-L319 HydrophobicContact CG-CB 4.19Å; E42-L319 HydrophobicContact CG-CD2 4.41Å |
| 43 | H | 98.3 | Very high | 96.6 | Very high | 115 Ų | 115 | 66.4 Ų | 66.4 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58 | -50 | 174.6 | 179.6 | 79.2 | 0 | 0 | 0 | 111.1 | D39 K40 N46 I47 | D39-H43 VanDerWaalsContact O-CB 3.31Å; D39-H43 WeakPolarHBondContact O-CB 3.37Å; D39-H43 PolarHBondContact O-N 2.88Å; K40-H43 WeakPolarHBondContact O-CB 3.49Å; K40-H43 PolarHBondContact O-N 3.49Å; H43-N46 PolarHBondContact O-N 3.48Å; H43-I47 WeakPolarHBondContact O-CG1 3.41Å; H43-I47 PolarHBondContact O-N 2.73Å; H43-I47 VanDerWaalsContact O-N 3.16Å |
| 44 | N | 98.4 | Very high | 97 | Very high | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.5 | -72.6 | -9 | 0 | 0 | 0 | 111.5 | K40 L41 N46 I47 V48 S65 P70 | K40-N44 PolarHBondContact O-N 2.84Å; L41-N44 PolarHBondContact O-N 3.09Å; N44-N46 VanDerWaalsContact C-N 3.31Å; N44-N46 PolarHBondContact O-N 3.43Å; N44-I47 WeakPolarHBondContact O-CB 3.29Å; N44-I47 PolarHBondContact O-N 2.8Å; N44-V48 PolarHBondContact O-N 3.25Å; N44-V48 VanDerWaalsContact O-N 3.15Å; N44-S65 VanDerWaalsContact CB-O 3.27Å; N44-S65 WeakPolarHBondContact CB-O 3.4Å; N44-S65 PolarHBondContact ND2-O 3.35Å; N44-P70 HydrophobicContact CB-CB 4.32Å; N44-P70 HydrophobicContact CB-CG 4.19Å |
| 45 | L | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 178 | -177.8 | 58.5 | 0 | 0 | 0 | 111.9 | L41 E42 I47 V48 K49 L56 K61 L319 | L41-L45 WeakPolarHBondContact O-CB 3.44Å; L41-L45 PolarHBondContact O-N 2.8Å; E42-L45 PolarHBondContact O-N 2.94Å; L45-I47 VanDerWaalsContact C-N 3.33Å; L45-I47 PolarHBondContact O-N 2.82Å; L45-V48 PolarHBondContact O-N 3.4Å; L45-V48 VanDerWaalsContact O-N 3.14Å; L45-K49 HydrophobicContact CD1-CG 4.25Å; L45-K49 HydrophobicContact CG-CD 4.21Å; L45-K49 HydrophobicContact CG-CG 4.26Å; L45-K49 WeakPolarHBondContact O-CB 3.35Å; L45-K49 WeakPolarHBondContact O-CG 3.43Å; L45-K49 PolarHBondContact O-N 3.19Å; L45-L56 HydrophobicContact CD1-CD1 3.64Å; L45-K61 HydrophobicContact CD1-CB 4.19Å; L45-K61 HydrophobicContact CD1-CG 4.16Å; L45-K61 HydrophobicContact CD2-CB 3.94Å; L45-K61 HydrophobicContact CD2-CD 4.23Å; L45-K61 HydrophobicContact CD2-CG 3.9Å; L45-L319 HydrophobicContact CD2-CD1 3.72Å |
| 46 | N | 98.3 | Very high | 97.4 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 179.4 | -77.3 | -37.6 | 0 | 0 | 0 | 112.5 | E42 H43 N44 K50 | E42-N46 VanDerWaalsContact O-CB 3.28Å; E42-N46 WeakPolarHBondContact O-CB 3.29Å; E42-N46 PolarHBondContact O-N 3.14Å; E42-N46 PolarHBondContact O-ND2 3.24Å; H43-N46 PolarHBondContact O-N 3.48Å; N44-N46 VanDerWaalsContact C-N 3.31Å; N44-N46 PolarHBondContact O-N 3.43Å; N46-K50 VanDerWaalsContact O-CG 3.27Å; N46-K50 WeakPolarHBondContact O-CG 3.36Å; N46-K50 PolarHBondContact O-N 3.42Å |
| 47 | I | 98.4 | Very high | 97.6 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 170.5 | -67.2 | 168.3 | 0 | 0 | 0 | 109.7 | H43 N44 L45 K50 R51 P70 K71 | H43-I47 WeakPolarHBondContact O-CG1 3.41Å; H43-I47 PolarHBondContact O-N 2.73Å; H43-I47 VanDerWaalsContact O-N 3.16Å; N44-I47 WeakPolarHBondContact O-CB 3.29Å; N44-I47 PolarHBondContact O-N 2.8Å; L45-I47 VanDerWaalsContact C-N 3.33Å; L45-I47 PolarHBondContact O-N 2.82Å; I47-K50 PolarHBondContact O-N 3.17Å; I47-R51 WeakPolarHBondContact O-CG 3.48Å; I47-R51 PolarHBondContact O-N 3.12Å; I47-P70 HydrophobicContact CB-CB 4.33Å; I47-P70 HydrophobicContact CD1-CG 4.11Å; I47-P70 HydrophobicContact CG2-CB 4.17Å; I47-P70 WeakPolarHBondContact CG2-O 3.47Å; I47-K71 HydrophobicContact CD1-CG 4.33Å; I47-K71 HydrophobicContact CG2-CB 4.5Å; I47-K71 HydrophobicContact CG2-CG 3.87Å |
| 48 | V | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.3 | -45.2 | -178 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | N44 L45 K50 R51 L52 Y64 L67 P70 I75 | N44-V48 PolarHBondContact O-N 3.25Å; N44-V48 VanDerWaalsContact O-N 3.15Å; L45-V48 PolarHBondContact O-N 3.4Å; L45-V48 VanDerWaalsContact O-N 3.14Å; V48-K50 VanDerWaalsContact C-N 3.28Å; V48-K50 PolarHBondContact O-N 2.91Å; V48-R51 WeakPolarHBondContact O-CB 3.32Å; V48-R51 PolarHBondContact O-N 2.6Å; V48-L52 HydrophobicContact CG1-CD1 3.58Å; V48-L52 HydrophobicContact CG1-CG 3.96Å; V48-L52 PolarHBondContact O-N 3Å; V48-Y64 HydrophobicContact CG1-CD2 3.84Å; V48-Y64 HydrophobicContact CG1-CG 4.1Å; V48-L67 HydrophobicContact CG2-CD1 3.88Å; V48-P70 HydrophobicContact CG2-CB 3.83Å; V48-I75 HydrophobicContact CG1-CD1 3.55Å; V48-I75 HydrophobicContact CG2-CD1 4.31Å |
| 49 | K | 97.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.9 | -43.1 | 176.7 | -78.6 | -173 | 171.7 | -167.8 | 0 | 111.9 | L45 R51 L52 G53 L56 D323 | L45-K49 HydrophobicContact CD1-CG 4.25Å; L45-K49 HydrophobicContact CG-CD 4.21Å; L45-K49 HydrophobicContact CG-CG 4.26Å; L45-K49 WeakPolarHBondContact O-CB 3.35Å; L45-K49 WeakPolarHBondContact O-CG 3.43Å; L45-K49 PolarHBondContact O-N 3.19Å; K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.09Å; K49-L52 PolarHBondContact O-N 3.5Å; K49-G53 PolarHBondContact O-N 2.84Å; K49-L56 HydrophobicContact CD-CD1 4.44Å; K49-L56 HydrophobicContact CG-CD1 3.58Å; K49-L56 HydrophobicContact CG-CG 4.29Å; K49-D323 VanDerWaalsContact CE-OD2 3.26Å; K49-D323 WeakPolarHBondContact CE-OD2 3.33Å; K49-D323 IonicContact NZ-OD1 3.42Å; K49-D323 PolarHBondContact NZ-OD1 3.36Å; K49-D323 IonicContact NZ-OD2 3.6Å; K49-D323 PolarHBondContact NZ-OD2 2.99Å; K49-D323 VanDerWaalsContact NZ-OD2 3.1Å |
| 50 | K | 97.2 | Very high | 97.9 | Very high | 182 Ų | 182 | 48.9 Ų | 48.9 | 79% | 0.791 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.9 | -34.3 | 176.6 | -73.5 | 174.9 | -175.7 | -178.6 | 0 | 113 | N46 I47 V48 | N46-K50 VanDerWaalsContact O-CG 3.27Å; N46-K50 WeakPolarHBondContact O-CG 3.36Å; N46-K50 PolarHBondContact O-N 3.42Å; I47-K50 PolarHBondContact O-N 3.17Å; V48-K50 VanDerWaalsContact C-N 3.28Å; V48-K50 PolarHBondContact O-N 2.91Å |
| 51 | R | 97.7 | Very high | 98 | Very high | 104 Ų | 104 | 42.9 Ų | 42.9 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -75.2 | -42.1 | 178.6 | -69.6 | 173.2 | 61 | -141.6 | -6.8 | 112.4 | I47 V48 K49 P70 K71 S73 | I47-R51 WeakPolarHBondContact O-CG 3.48Å; I47-R51 PolarHBondContact O-N 3.12Å; V48-R51 WeakPolarHBondContact O-CB 3.32Å; V48-R51 PolarHBondContact O-N 2.6Å; K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.09Å; R51-P70 PolarHBondContact NH1-O 3.04Å; R51-K71 WeakPolarHBondContact CD-O 3.14Å; R51-K71 VanDerWaalsContact CZ-O 3.31Å; R51-K71 PolarHBondContact NE-O 2.86Å; R51-K71 VanDerWaalsContact NE-O 3.14Å; R51-S73 PolarHBondContact NH1-O 3.34Å; R51-S73 PolarHBondContact NH2-O 3.23Å |
| 52 | L | 96.9 | Very high | 98 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -81.8 | -33.1 | -174.7 | -65.3 | -176.4 | 0 | 0 | 0 | 113 | V48 K49 H54 L56 Y64 I75 | V48-L52 HydrophobicContact CG1-CD1 3.58Å; V48-L52 HydrophobicContact CG1-CG 3.96Å; V48-L52 PolarHBondContact O-N 3Å; K49-L52 PolarHBondContact O-N 3.5Å; L52-H54 PolarHBondContact O-CD2 2.82Å; L52-H54 VanDerWaalsContact O-CD2 3.29Å; L52-H54 PolarHBondContact O-N 3.19Å; L52-L56 HydrophobicContact CD1-CD2 3.92Å; L52-Y64 HydrophobicContact CD1-CD2 4.17Å; L52-Y64 HydrophobicContact CD1-CE2 3.93Å; L52-I75 HydrophobicContact CD1-CD1 4.41Å; L52-I75 HydrophobicContact CD1-CG2 4.27Å; L52-I75 HydrophobicContact CD2-CB 4.35Å |
| 53 | G | 95.6 | Very high | 98 | Very high | 70 Ų | 70 | 40.8 Ų | 40.8 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | trans | 67.3 | 16.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K49 | K49-G53 PolarHBondContact O-N 2.84Š| ||
| 54 | H | 96 | Very high | 98 | Very high | 89 Ų | 89 | 35.5 Ų | 35.5 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -134.7 | 159.8 | 177.1 | 65.4 | 75.5 | 0 | 0 | 0 | 112.1 | L52 | L52-H54 PolarHBondContact O-CD2 2.82Å; L52-H54 VanDerWaalsContact O-CD2 3.29Å; L52-H54 PolarHBondContact O-N 3.19Å |
| 55 | P | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 34.4 Ų | 34.4 | 36% | 0.357 | 18% | 0.181 | S | C | . | . | trans | -61.3 | 143 | 175 | -21.3 | 33.4 | 0 | 0 | 0 | 111.8 | D323 V324 C326 | P55-D323 HydrophobicContact CB-CB 3.73Å; P55-V324 WeakPolarHBondContact CB-O 3.35Å; P55-C326 HydrophobicContact CB-CB 4.4Å | ||
| 56 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -108 | 142.4 | -177.9 | -58.9 | -178.2 | 0 | 0 | 0 | 111.6 | L45 K49 L52 E60 K61 Y64 D323 C326 | L45-L56 HydrophobicContact CD1-CD1 3.64Å; K49-L56 HydrophobicContact CD-CD1 4.44Å; K49-L56 HydrophobicContact CG-CD1 3.58Å; K49-L56 HydrophobicContact CG-CG 4.29Å; L52-L56 HydrophobicContact CD1-CD2 3.92Å; L56-E60 WeakPolarHBondContact CA-OE2 3.47Å; L56-E60 HydrophobicContact CB-CB 4.02Å; L56-E60 HydrophobicContact CD2-CB 4.39Å; L56-K61 HydrophobicContact CB-CG 3.92Å; L56-K61 HydrophobicContact CD1-CG 4.48Å; L56-Y64 HydrophobicContact CD1-CD2 4.16Å; L56-Y64 HydrophobicContact CD2-CD2 4.38Å; L56-Y64 HydrophobicContact CD2-CE2 4.19Å; L56-D323 PolarHBondContact N-OD2 3Å; L56-D323 WeakPolarHBondContact O-CB 3.08Å; L56-D323 PolarHBondContact O-N 2.74Å; L56-C326 WeakPolarHBondContact O-CB 3.45Å | ||
| 57 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -69.7 | 167.2 | 168.3 | 86.9 | 0 | 0 | 0 | 0 | 110 | A59 E60 K61 V222 E259 C326 K327 Y328 | T57-A59 VanDerWaalsContact C-N 3.35Å; T57-A59 PolarHBondContact OG1-N 2.84Å; T57-E60 PolarHBondContact N-OE2 3.05Å; T57-E60 WeakPolarHBondContact O-CB 3.41Å; T57-E60 PolarHBondContact O-N 3.1Å; T57-E60 PolarHBondContact OG1-N 3.25Å; T57-K61 WeakPolarHBondContact O-CG 3.35Å; T57-K61 PolarHBondContact O-N 2.98Å; T57-V222 HydrophobicContact CG2-CB 4.34Å; T57-V222 HydrophobicContact CG2-CG1 4.19Å; T57-V222 HydrophobicContact CG2-CG2 4.32Å; T57-E259 WeakPolarHBondContact CB-OE1 3.49Å; T57-E259 WeakPolarHBondContact CB-OE2 3.31Å; T57-E259 PolarHBondContact OG1-OE2 2.99Å; T57-C326 HydrophobicContact CG2-CB 4.01Å; T57-K327 WeakPolarHBondContact CG2-O 3.5Å; T57-Y328 HydrophobicContact CG2-CD1 3.99Å; T57-Y328 HydrophobicContact CG2-CE1 3.92Å | ||
| 58 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 175.9 | 175.2 | 60.3 | 0 | 0 | 0 | 111.8 | E60 K61 V62 E259 I289 F290 P291 L320 | L58-E60 VanDerWaalsContact C-N 3.25Å; L58-E60 PolarHBondContact O-N 3.48Å; L58-K61 PolarHBondContact O-N 3.47Å; L58-K61 VanDerWaalsContact O-N 3.1Å; L58-V62 HydrophobicContact CD1-CG2 4.04Å; L58-V62 WeakPolarHBondContact O-CG2 3.27Å; L58-V62 PolarHBondContact O-N 2.94Å; L58-E259 HydrophobicContact CB-CG 4.34Å; L58-E259 WeakPolarHBondContact CB-OE1 3.39Å; L58-E259 VanDerWaalsContact N-CD 3.28Å; L58-E259 PolarHBondContact N-OE1 3.43Å; L58-E259 PolarHBondContact N-OE2 2.81Å; L58-I289 HydrophobicContact CD2-CD1 3.83Å; L58-I289 HydrophobicContact CD2-CG1 3.83Å; L58-I289 HydrophobicContact CD2-CG2 4.44Å; L58-I289 HydrophobicContact CG-CD1 3.84Å; L58-I289 HydrophobicContact CG-CG1 4.34Å; L58-F290 WeakPolarHBondContact CD2-O 3.46Å; L58-P291 VanDerWaalsContact CD2-CA 3.47Å; L58-P291 HydrophobicContact CD2-CB 4.08Å; L58-L320 VanDerWaalsContact CD1-C 3.44Å |
| 59 | A | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.7 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T57 L63 L197 V222 I257 E259 I289 | T57-A59 VanDerWaalsContact C-N 3.35Å; T57-A59 PolarHBondContact OG1-N 2.84Å; A59-L63 WeakPolarHBondContact O-CB 3.5Å; A59-L63 WeakPolarHBondContact O-CG 3.41Å; A59-L63 PolarHBondContact O-N 3.43Å; A59-L197 WeakPolarHBondContact O-CD1 3.44Å; A59-V222 HydrophobicContact CB-CG1 4.42Å; A59-V222 HydrophobicContact CB-CG2 4.45Å; A59-I257 HydrophobicContact CB-CB 4.11Å; A59-I257 HydrophobicContact CB-CD1 4.08Å; A59-I257 HydrophobicContact CB-CG2 3.67Å; A59-E259 WeakPolarHBondContact CB-OE2 3.4Å; A59-E259 PolarHBondContact N-OE2 2.8Å; A59-I289 HydrophobicContact CB-CG2 4.38Å |
| 60 | E | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 174.8 | -71.4 | -171 | 127.5 | 0 | 0 | 112.7 | L56 T57 L58 V62 L63 Y64 R77 V222 | L56-E60 WeakPolarHBondContact CA-OE2 3.47Å; L56-E60 HydrophobicContact CB-CB 4.02Å; L56-E60 HydrophobicContact CD2-CB 4.39Å; T57-E60 PolarHBondContact N-OE2 3.05Å; T57-E60 WeakPolarHBondContact O-CB 3.41Å; T57-E60 PolarHBondContact O-N 3.1Å; T57-E60 PolarHBondContact OG1-N 3.25Å; L58-E60 VanDerWaalsContact C-N 3.25Å; L58-E60 PolarHBondContact O-N 3.48Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 3.09Å; E60-L63 PolarHBondContact O-N 3.35Å; E60-Y64 HydrophobicContact CB-CD2 3.85Å; E60-Y64 HydrophobicContact CB-CE2 3.46Å; E60-Y64 VanDerWaalsContact CB-CE2 3.46Å; E60-Y64 HydrophobicContact CG-CD2 4.49Å; E60-Y64 HydrophobicContact CG-CE2 3.63Å; E60-Y64 WeakPolarHBondContact O-CB 3.5Å; E60-Y64 VanDerWaalsContact O-CD2 3.28Å; E60-Y64 WeakPolarHBondContact O-CD2 3.08Å; E60-Y64 PolarHBondContact O-N 2.76Å; E60-Y64 PolarHBondContact OE1-OH 3.22Å; E60-R77 IonicContact OE1-CZ 2.95Å; E60-R77 VanDerWaalsContact OE1-CZ 3.29Å; E60-R77 IonicContact OE1-NE 2.71Å; E60-R77 PolarHBondContact OE1-NE 3.29Å; E60-R77 IonicContact OE1-NH2 3.03Å; E60-R77 PolarHBondContact OE1-NH2 2.82Å; E60-R77 IonicContact OE2-CZ 2.93Å; E60-R77 IonicContact OE2-NH2 3.37Å; E60-R77 PolarHBondContact OE2-NH2 3.09Å; E60-V222 HydrophobicContact CG-CG2 4.44Å |
| 61 | K | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 178.4 | -71 | -177.2 | -179 | -168 | 0 | 111.8 | L45 L56 T57 L58 S65 S318 L319 T321 D323 | L45-K61 HydrophobicContact CD1-CB 4.19Å; L45-K61 HydrophobicContact CD1-CG 4.16Å; L45-K61 HydrophobicContact CD2-CB 3.94Å; L45-K61 HydrophobicContact CD2-CD 4.23Å; L45-K61 HydrophobicContact CD2-CG 3.9Å; L56-K61 HydrophobicContact CB-CG 3.92Å; L56-K61 HydrophobicContact CD1-CG 4.48Å; T57-K61 WeakPolarHBondContact O-CG 3.35Å; T57-K61 PolarHBondContact O-N 2.98Å; L58-K61 PolarHBondContact O-N 3.47Å; L58-K61 VanDerWaalsContact O-N 3.1Å; K61-S65 VanDerWaalsContact O-CB 3.28Å; K61-S65 WeakPolarHBondContact O-CB 3.41Å; K61-S65 PolarHBondContact O-N 3.06Å; K61-S65 VanDerWaalsContact O-N 3.12Å; K61-S65 PolarHBondContact O-OG 3.22Å; K61-S318 PolarHBondContact NZ-O 3.49Å; K61-L319 HydrophobicContact CB-CD1 4.36Å; K61-L319 WeakPolarHBondContact CD-O 3.49Å; K61-T321 VanDerWaalsContact CD-O 3.25Å; K61-T321 WeakPolarHBondContact CD-O 3.48Å; K61-T321 VanDerWaalsContact CE-O 3.23Å; K61-T321 WeakPolarHBondContact CE-O 3.44Å; K61-T321 PolarHBondContact NZ-O 2.88Å; K61-D323 WeakPolarHBondContact CE-OD1 3.42Å; K61-D323 WeakPolarHBondContact CE-OD2 3.43Å; K61-D323 IonicContact NZ-OD1 2.89Å; K61-D323 PolarHBondContact NZ-OD1 3.4Å; K61-D323 IonicContact NZ-OD2 2.72Å |
| 62 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.3 | -46.3 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | L58 E60 Y64 S65 H66 L197 I289 | L58-V62 HydrophobicContact CD1-CG2 4.04Å; L58-V62 WeakPolarHBondContact O-CG2 3.27Å; L58-V62 PolarHBondContact O-N 2.94Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 3.09Å; V62-Y64 PolarHBondContact O-N 2.84Å; V62-S65 PolarHBondContact O-OG 3.22Å; V62-H66 PolarHBondContact O-ND1 3.38Å; V62-L197 HydrophobicContact CB-CD1 3.64Å; V62-L197 HydrophobicContact CB-CG 3.82Å; V62-L197 HydrophobicContact CG1-CB 3.95Å; V62-L197 HydrophobicContact CG1-CD1 3.69Å; V62-L197 HydrophobicContact CG1-CG 3.63Å; V62-I289 HydrophobicContact CG2-CD1 4.23Å |
| 63 | L | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -49 | 177.1 | -77.4 | 176.8 | 0 | 0 | 0 | 112.4 | A59 E60 S65 H66 L82 L84 L180 L197 I199 L217 P220 I257 | A59-L63 WeakPolarHBondContact O-CB 3.5Å; A59-L63 WeakPolarHBondContact O-CG 3.41Å; A59-L63 PolarHBondContact O-N 3.43Å; E60-L63 PolarHBondContact O-N 3.35Å; L63-S65 PolarHBondContact O-N 2.83Å; L63-H66 PolarHBondContact O-N 3.17Å; L63-H66 VanDerWaalsContact O-N 3.09Å; L63-L82 HydrophobicContact CB-CD1 4.49Å; L63-L82 HydrophobicContact CD1-CD1 4.26Å; L63-L84 HydrophobicContact CD2-CD1 3.82Å; L63-L84 VanDerWaalsContact O-CD2 3.28Å; L63-L84 WeakPolarHBondContact O-CD2 3.16Å; L63-L180 HydrophobicContact CD2-CD1 4.45Å; L63-L197 HydrophobicContact CB-CD1 4.38Å; L63-L197 HydrophobicContact CD1-CD1 4.45Å; L63-L197 HydrophobicContact CD2-CD1 3.79Å; L63-L197 HydrophobicContact CG-CD1 3.5Å; L63-L197 VanDerWaalsContact CG-CD1 3.5Å; L63-I199 HydrophobicContact CD2-CD1 4.49Å; L63-L217 HydrophobicContact CD2-CD2 3.88Å; L63-P220 HydrophobicContact CD1-CG 4.01Å; L63-I257 HydrophobicContact CD1-CD1 3.79Å; L63-I257 HydrophobicContact CG-CD1 4.39Å |
| 64 | Y | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -76 | -25.2 | -169.3 | -58.5 | -17.6 | 0 | 0 | 0 | 112.9 | V48 L52 L56 E60 V62 H66 L67 I75 L82 | V48-Y64 HydrophobicContact CG1-CD2 3.84Å; V48-Y64 HydrophobicContact CG1-CG 4.1Å; L52-Y64 HydrophobicContact CD1-CD2 4.17Å; L52-Y64 HydrophobicContact CD1-CE2 3.93Å; L56-Y64 HydrophobicContact CD1-CD2 4.16Å; L56-Y64 HydrophobicContact CD2-CD2 4.38Å; L56-Y64 HydrophobicContact CD2-CE2 4.19Å; E60-Y64 HydrophobicContact CB-CD2 3.85Å; E60-Y64 HydrophobicContact CB-CE2 3.46Å; E60-Y64 VanDerWaalsContact CB-CE2 3.46Å; E60-Y64 HydrophobicContact CG-CD2 4.49Å; E60-Y64 HydrophobicContact CG-CE2 3.63Å; E60-Y64 WeakPolarHBondContact O-CB 3.5Å; E60-Y64 VanDerWaalsContact O-CD2 3.28Å; E60-Y64 WeakPolarHBondContact O-CD2 3.08Å; E60-Y64 PolarHBondContact O-N 2.76Å; E60-Y64 PolarHBondContact OE1-OH 3.22Å; V62-Y64 PolarHBondContact O-N 2.84Å; Y64-H66 PolarHBondContact O-N 3.32Å; Y64-L67 HydrophobicContact CD1-CD1 4.41Å; Y64-L67 PolarHBondContact O-N 3.25Å; Y64-I75 HydrophobicContact CD1-CD1 4.38Å; Y64-I75 HydrophobicContact CD1-CG2 4.37Å; Y64-I75 HydrophobicContact CE1-CG2 3.64Å; Y64-I75 HydrophobicContact CE2-CG2 3.9Å; Y64-I75 HydrophobicContact CG-CD1 4.37Å; Y64-I75 WeakPolarHBondContact OH-CG2 3.32Å; Y64-L82 HydrophobicContact CD1-CD1 4.34Å; Y64-L82 HydrophobicContact CE1-CD1 3.99Å |
| 65 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.6 | -22.4 | 169 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | L41 N44 K61 V62 L63 | L41-S65 WeakPolarHBondContact O-CB 3.14Å; N44-S65 VanDerWaalsContact CB-O 3.27Å; N44-S65 WeakPolarHBondContact CB-O 3.4Å; N44-S65 PolarHBondContact ND2-O 3.35Å; K61-S65 VanDerWaalsContact O-CB 3.28Å; K61-S65 WeakPolarHBondContact O-CB 3.41Å; K61-S65 PolarHBondContact O-N 3.06Å; K61-S65 VanDerWaalsContact O-N 3.12Å; K61-S65 PolarHBondContact O-OG 3.22Å; V62-S65 PolarHBondContact O-OG 3.22Å; L63-S65 PolarHBondContact O-N 2.83Å |
| 66 | H | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 9.5 | 179.8 | -69.9 | 81.6 | 0 | 0 | 0 | 114.4 | L41 V62 L63 Y64 D68 L84 R85 D87 G178 L180 | L41-H66 VanDerWaalsContact CD2-CE1 3.5Å; L41-H66 WeakPolarHBondContact CD2-CE1 3.42Å; V62-H66 PolarHBondContact O-ND1 3.38Å; L63-H66 PolarHBondContact O-N 3.17Å; L63-H66 VanDerWaalsContact O-N 3.09Å; Y64-H66 PolarHBondContact O-N 3.32Å; H66-D68 PolarHBondContact O-N 3.19Å; H66-L84 HydrophobicContact CB-CD2 4.42Å; H66-L84 CarbonylContact O-C 3.59Å; H66-L84 WeakPolarHBondContact O-CA 3.36Å; H66-R85 PolarHBondContact CD2-O 3.35Å; H66-R85 PolarHBondContact O-N 3.37Å; H66-D87 IonicContact CD2-OD2 2.73Å; H66-D87 IonicContact NE2-OD1 3.49Å; H66-D87 IonicContact NE2-OD2 3.93Å; H66-D87 PolarHBondContact NE2-OD2 2.87Å; H66-D87 VanDerWaalsContact NE2-OD2 3.14Å; H66-G178 PolarHBondContact CE1-O 3.47Å; H66-G178 VanDerWaalsContact CE1-O 3.25Å; H66-L180 HydrophobicContact CB-CB 4.41Å; H66-L180 HydrophobicContact CB-CD2 3.6Å |
| 67 | L | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -62 | 136 | 174.8 | -72.1 | 166.5 | 0 | 0 | 0 | 110.9 | V48 Y64 N69 P70 I75 L82 M83 L84 | V48-L67 HydrophobicContact CG2-CD1 3.88Å; Y64-L67 HydrophobicContact CD1-CD1 4.41Å; Y64-L67 PolarHBondContact O-N 3.25Å; L67-N69 VanDerWaalsContact C-N 3.27Å; L67-N69 PolarHBondContact O-N 3.49Å; L67-P70 HydrophobicContact CB-CB 4.39Å; L67-I75 HydrophobicContact CD1-CD1 3.69Å; L67-I75 HydrophobicContact CD1-CG1 4.33Å; L67-L82 HydrophobicContact CD2-CB 3.98Å; L67-L82 HydrophobicContact CD2-CD2 4.15Å; L67-M83 WeakPolarHBondContact CA-O 3.26Å; L67-L84 HydrophobicContact CD2-CD2 3.9Å; L67-L84 HydrophobicContact CG-CD2 4.35Å |
| 68 | D | 98.1 | Very high | 97.7 | Very high | 72 Ų | 72 | 34.5 Ų | 34.5 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -62.4 | -36.9 | 173.9 | -176.4 | 64.9 | 0 | 0 | 0 | 111.4 | H66 M83 R85 P214 | H66-D68 PolarHBondContact O-N 3.19Å; D68-M83 HydrophobicContact CB-CB 4.27Å; D68-M83 PolarHBondContact N-O 3.43Å; D68-R85 HydrophobicContact CB-CG 4.18Å; D68-R85 IonicContact OD1-CZ 2.8Å; D68-R85 IonicContact OD1-NE 3.21Å; D68-R85 PolarHBondContact OD1-NE 3.01Å; D68-R85 IonicContact OD1-NH2 2.73Å; D68-R85 PolarHBondContact OD1-NH2 3.26Å; D68-P214 HydrophobicContact CB-CB 4.14Å; D68-P214 HydrophobicContact CB-CG 4.42Å |
| 69 | N | 97.6 | Very high | 97.5 | Very high | 69 Ų | 69 | 41 Ų | 41 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | trans | -134 | 82.5 | 175.2 | -166.4 | -20.4 | 0 | 0 | 0 | 112.7 | L67 K71 T72 S73 | L67-N69 VanDerWaalsContact C-N 3.27Å; L67-N69 PolarHBondContact O-N 3.49Å; N69-K71 PolarHBondContact O-N 3.21Å; N69-K71 PolarHBondContact OD1-N 2.88Å; N69-T72 PolarHBondContact ND2-OG1 3.21Å; N69-T72 PolarHBondContact O-N 2.95Å; N69-T72 PolarHBondContact OD1-N 3.39Å; N69-T72 PolarHBondContact OD1-OG1 3.02Å; N69-S73 WeakPolarHBondContact O-CB 3.47Å; N69-S73 PolarHBondContact O-N 3.17Å; N69-S73 PolarHBondContact O-OG 3.26Å | ||
| 70 | P | 97.7 | Very high | 97.4 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.3 | -175.6 | 26.2 | -35.5 | 0 | 0 | 0 | 114 | N44 I47 V48 R51 L67 | N44-P70 HydrophobicContact CB-CB 4.32Å; N44-P70 HydrophobicContact CB-CG 4.19Å; I47-P70 HydrophobicContact CB-CB 4.33Å; I47-P70 HydrophobicContact CD1-CG 4.11Å; I47-P70 HydrophobicContact CG2-CB 4.17Å; I47-P70 WeakPolarHBondContact CG2-O 3.47Å; V48-P70 HydrophobicContact CG2-CB 3.83Å; R51-P70 PolarHBondContact NH1-O 3.04Å; L67-P70 HydrophobicContact CB-CB 4.39Å |
| 71 | K | 97.7 | Very high | 97.3 | Very high | 145 Ų | 145 | 43.4 Ų | 43.4 | 63% | 0.63 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -35.3 | -179.7 | -66.5 | 179.2 | -178.4 | 175.7 | 0 | 112.8 | I47 R51 N69 | I47-K71 HydrophobicContact CD1-CG 4.33Å; I47-K71 HydrophobicContact CG2-CB 4.5Å; I47-K71 HydrophobicContact CG2-CG 3.87Å; R51-K71 WeakPolarHBondContact CD-O 3.14Å; R51-K71 VanDerWaalsContact CZ-O 3.31Å; R51-K71 PolarHBondContact NE-O 2.86Å; R51-K71 VanDerWaalsContact NE-O 3.14Å; N69-K71 PolarHBondContact O-N 3.21Å; N69-K71 PolarHBondContact OD1-N 2.88Å |
| 72 | T | 96.4 | Very high | 97.2 | Very high | 99 Ų | 99 | 43.4 Ų | 43.4 | 61% | 0.607 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -13.9 | -170.5 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | N69 N74 | N69-T72 PolarHBondContact ND2-OG1 3.21Å; N69-T72 PolarHBondContact O-N 2.95Å; N69-T72 PolarHBondContact OD1-N 3.39Å; N69-T72 PolarHBondContact OD1-OG1 3.02Å; T72-N74 PolarHBondContact O-N 2.68Å |
| 73 | S | 95.2 | Very high | 97.2 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | trans | -53.1 | 128 | 178.8 | -71.7 | 0 | 0 | 0 | 0 | 111.3 | R51 N69 | R51-S73 PolarHBondContact NH1-O 3.34Å; R51-S73 PolarHBondContact NH2-O 3.23Å; N69-S73 WeakPolarHBondContact O-CB 3.47Å; N69-S73 PolarHBondContact O-N 3.17Å; N69-S73 PolarHBondContact O-OG 3.26Å | ||
| 74 | N | 94.9 | Very high | 97.2 | Very high | 105 Ų | 105 | 45.6 Ų | 45.6 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | trans | -71.9 | 131.3 | 168.7 | -173.7 | 27.7 | 0 | 0 | 0 | 108.8 | T72 S80 | T72-N74 PolarHBondContact O-N 2.68Å; N74-S80 PolarHBondContact O-OG 3.01Å | ||
| 75 | I | 97.2 | Very high | 97.2 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | trans | -130.5 | 102.4 | -175.8 | -58.2 | 171.3 | 0 | 0 | 0 | 107.6 | V48 L52 Y64 L67 L82 | V48-I75 HydrophobicContact CG1-CD1 3.55Å; V48-I75 HydrophobicContact CG2-CD1 4.31Å; L52-I75 HydrophobicContact CD1-CD1 4.41Å; L52-I75 HydrophobicContact CD1-CG2 4.27Å; L52-I75 HydrophobicContact CD2-CB 4.35Å; Y64-I75 HydrophobicContact CD1-CD1 4.38Å; Y64-I75 HydrophobicContact CD1-CG2 4.37Å; Y64-I75 HydrophobicContact CE1-CG2 3.64Å; Y64-I75 HydrophobicContact CE2-CG2 3.9Å; Y64-I75 HydrophobicContact CG-CD1 4.37Å; Y64-I75 WeakPolarHBondContact OH-CG2 3.32Å; L67-I75 HydrophobicContact CD1-CD1 3.69Å; L67-I75 HydrophobicContact CD1-CG1 4.33Å; I75-L82 HydrophobicContact CG1-CD2 4.23Å | ||
| 76 | E | 96.6 | Very high | 97.2 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | trans | -143.5 | 113.6 | 174.1 | -167.7 | 179.7 | 179 | 0 | 0 | 108.4 | K79 S80 A219 | E76-K79 HydrophobicContact CB-CB 4.41Å; E76-K79 HydrophobicContact CG-CB 4.31Å; E76-K79 HydrophobicContact CG-CD 3.95Å; E76-K79 PolarHBondContact O-N 3.34Å; E76-K79 WeakPolarHBondContact OE1-CD 3.16Å; E76-K79 WeakPolarHBondContact OE1-CE 3.46Å; E76-K79 IonicContact OE1-NZ 2.77Å; E76-K79 PolarHBondContact OE1-NZ 3.37Å; E76-K79 WeakPolarHBondContact OE2-CD 3.44Å; E76-S80 PolarHBondContact N-OG 3.02Å; E76-S80 PolarHBondContact O-N 3.28Å; E76-S80 PolarHBondContact O-OG 2.75Å; E76-A219 WeakPolarHBondContact O-CB 3.31Å | ||
| 77 | R | 97.7 | Very high | 97.2 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 140.2 | -179.1 | -59.5 | -170.7 | -171.4 | 169.2 | 3.4 | 110.5 | E60 K79 P220 L221 K327 D329 | E60-R77 IonicContact OE1-CZ 2.95Å; E60-R77 VanDerWaalsContact OE1-CZ 3.29Å; E60-R77 IonicContact OE1-NE 2.71Å; E60-R77 PolarHBondContact OE1-NE 3.29Å; E60-R77 IonicContact OE1-NH2 3.03Å; E60-R77 PolarHBondContact OE1-NH2 2.82Å; E60-R77 IonicContact OE2-CZ 2.93Å; E60-R77 IonicContact OE2-NH2 3.37Å; E60-R77 PolarHBondContact OE2-NH2 3.09Å; R77-K79 PolarHBondContact O-N 3.4Å; R77-P220 WeakPolarHBondContact CB-O 3.32Å; R77-P220 WeakPolarHBondContact CG-O 3.38Å; R77-L221 HydrophobicContact CB-CD2 3.98Å; R77-K327 PolarHBondContact NH1-O 3.26Å; R77-K327 PolarHBondContact NH2-O 3.36Å; R77-D329 WeakPolarHBondContact CD-OD2 3.33Å; R77-D329 IonicContact CZ-OD2 3.03Å; R77-D329 IonicContact NE-OD2 3.15Å; R77-D329 IonicContact NH1-OD1 3.1Å; R77-D329 IonicContact NH1-OD2 2.79Å; R77-D329 PolarHBondContact NH1-OD2 2.6Å |
| 78 | G | 96.2 | Very high | 97.2 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | -1.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K218 A219 | G78-K218 VanDerWaalsContact C-CE 3.43Å; G78-K218 WeakPolarHBondContact O-CE 3.42Å; G78-K218 PolarHBondContact O-NZ 3.16Å; G78-A219 WeakPolarHBondContact CA-O 3.33Å; G78-A219 PolarHBondContact N-O 2.94Å |
| 79 | K | 94.9 | Very high | 97.2 | Very high | 137 Ų | 137 | 46.8 Ų | 46.8 | 60% | 0.596 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132 | -58.7 | -173.3 | -72.3 | 170.5 | 177.9 | -178.8 | 0 | 113.9 | E76 R77 | E76-K79 HydrophobicContact CB-CB 4.41Å; E76-K79 HydrophobicContact CG-CB 4.31Å; E76-K79 HydrophobicContact CG-CD 3.95Å; E76-K79 PolarHBondContact O-N 3.34Å; E76-K79 WeakPolarHBondContact OE1-CD 3.16Å; E76-K79 WeakPolarHBondContact OE1-CE 3.46Å; E76-K79 IonicContact OE1-NZ 2.77Å; E76-K79 PolarHBondContact OE1-NZ 3.37Å; E76-K79 WeakPolarHBondContact OE2-CD 3.44Å; R77-K79 PolarHBondContact O-N 3.4Å |
| 80 | S | 95.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | trans | -69.3 | 156.5 | -176.1 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | N74 E76 K218 A219 | N74-S80 PolarHBondContact O-OG 3.01Å; E76-S80 PolarHBondContact N-OG 3.02Å; E76-S80 PolarHBondContact O-N 3.28Å; E76-S80 PolarHBondContact O-OG 2.75Å; S80-K218 CarbonylContact O-C 3.6Å; S80-K218 WeakPolarHBondContact O-CA 3.4Å; S80-A219 WeakPolarHBondContact O-CB 3.5Å; S80-A219 PolarHBondContact O-N 2.72Å; S80-A219 VanDerWaalsContact OG-CB 3.26Å; S80-A219 WeakPolarHBondContact OG-CB 3.37Å | ||
| 81 | Y | 97 | Very high | 97.4 | Very high | 50 Ų | 50 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123 | 167.5 | -77.5 | -84.1 | 0 | 0 | 0 | 109.5 | E216 K218 K694 T751 N753 Q756 | Y81-E216 WeakPolarHBondContact CB-OE1 3.44Å; Y81-E216 HydrophobicContact CD1-CG 3.69Å; Y81-E216 WeakPolarHBondContact CD1-OE1 3.44Å; Y81-E216 HydrophobicContact CG-CG 4.07Å; Y81-K218 HydrophobicContact CD1-CB 3.94Å; Y81-K218 HydrophobicContact CE1-CB 3.73Å; Y81-K218 HydrophobicContact CE1-CG 4.44Å; Y81-K694 PolarHBondContact OH-NZ 3.08Å; Y81-T751 VanDerWaalsContact CE2-O 3.3Å; Y81-T751 WeakPolarHBondContact CE2-O 3.32Å; Y81-T751 PolarHBondContact OH-O 2.95Å; Y81-T751 PolarHBondContact OH-OG1 3.06Å; Y81-N753 HydrophobicContact CD2-CB 4.08Å; Y81-N753 HydrophobicContact CE2-CB 4.28Å; Y81-Q756 PolarHBondContact OH-OE1 3.09Å |
| 82 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.8 | 177.4 | -52.1 | -179.8 | 0 | 0 | 0 | 108.9 | L63 Y64 L67 I75 L84 E216 L217 A219 | L63-L82 HydrophobicContact CB-CD1 4.49Å; L63-L82 HydrophobicContact CD1-CD1 4.26Å; Y64-L82 HydrophobicContact CD1-CD1 4.34Å; Y64-L82 HydrophobicContact CE1-CD1 3.99Å; L67-L82 HydrophobicContact CD2-CB 3.98Å; L67-L82 HydrophobicContact CD2-CD2 4.15Å; I75-L82 HydrophobicContact CG1-CD2 4.23Å; L82-L84 HydrophobicContact CB-CD1 4.27Å; L82-L84 HydrophobicContact CB-CD2 4.11Å; L82-L84 HydrophobicContact CB-CG 3.97Å; L82-E216 WeakPolarHBondContact O-CA 3.32Å; L82-L217 WeakPolarHBondContact CB-O 3.12Å; L82-L217 PolarHBondContact N-O 3.39Å; L82-L217 PolarHBondContact O-N 3.21Å; L82-A219 HydrophobicContact CD1-CB 4.1Å; L82-A219 HydrophobicContact CD2-CB 4Å; L82-A219 HydrophobicContact CG-CB 3.88Å |
| 83 | M | 98 | Very high | 97.5 | Very high | 50 Ų | 50 | 31.6 Ų | 31.6 | 25% | 0.246 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.1 | 167.6 | -57.1 | -55.9 | -66.5 | 0 | 0 | 108.2 | L67 D68 P214 E216 | L67-M83 WeakPolarHBondContact CA-O 3.26Å; D68-M83 HydrophobicContact CB-CB 4.27Å; D68-M83 PolarHBondContact N-O 3.43Å; M83-P214 HydrophobicContact CB-CB 3.99Å; M83-P214 HydrophobicContact CE-CB 3.73Å; M83-P214 HydrophobicContact CE-CG 4.21Å; M83-E216 HydrophobicContact CE-CB 4.43Å; M83-E216 HydrophobicContact SD-CB 4.01Å; M83-E216 HydrophobicContact SD-CG 3.86Å |
| 84 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 159 | -168.5 | -62.8 | 169.7 | 0 | 0 | 0 | 111.7 | L63 H66 L67 L82 L180 P214 W215 L217 | L63-L84 HydrophobicContact CD2-CD1 3.82Å; L63-L84 VanDerWaalsContact O-CD2 3.28Å; L63-L84 WeakPolarHBondContact O-CD2 3.16Å; H66-L84 HydrophobicContact CB-CD2 4.42Å; H66-L84 CarbonylContact O-C 3.59Å; H66-L84 WeakPolarHBondContact O-CA 3.36Å; L67-L84 HydrophobicContact CD2-CD2 3.9Å; L67-L84 HydrophobicContact CG-CD2 4.35Å; L82-L84 HydrophobicContact CB-CD1 4.27Å; L82-L84 HydrophobicContact CB-CD2 4.11Å; L82-L84 HydrophobicContact CB-CG 3.97Å; L84-L180 HydrophobicContact CB-CD2 4.01Å; L84-L180 HydrophobicContact CD1-CD2 4.31Å; L84-P214 CarbonylContact O-C 3.51Å; L84-P214 WeakPolarHBondContact O-CA 3.43Å; L84-W215 HydrophobicContact CB-CE3 4.08Å; L84-W215 HydrophobicContact CD1-CE3 3.87Å; L84-W215 HydrophobicContact CD1-CZ3 3.74Å; L84-W215 PolarHBondContact N-O 3.47Å; L84-W215 PolarHBondContact O-N 3.21Å; L84-L217 HydrophobicContact CD1-CB 3.74Å; L84-L217 HydrophobicContact CD1-CD2 3.93Å; L84-L217 HydrophobicContact CD1-CG 4.48Å |
| 85 | R | 98.5 | Very high | 97.7 | Very high | 81 Ų | 81 | 26.1 Ų | 26.1 | 31% | 0.306 | 12% | 0.124 | S | C | . | . | trans | -121 | 87.9 | 174.7 | -67.8 | -63.1 | -171.3 | 168.7 | -0.4 | 110.6 | H66 D68 N212 | H66-R85 PolarHBondContact CD2-O 3.35Å; H66-R85 PolarHBondContact O-N 3.37Å; D68-R85 HydrophobicContact CB-CG 4.18Å; D68-R85 IonicContact OD1-CZ 2.8Å; D68-R85 IonicContact OD1-NE 3.21Å; D68-R85 PolarHBondContact OD1-NE 3.01Å; D68-R85 IonicContact OD1-NH2 2.73Å; D68-R85 PolarHBondContact OD1-NH2 3.26Å; R85-N212 VanDerWaalsContact NH1-C 3.32Å; R85-N212 PolarHBondContact NH1-O 3.35Å; R85-N212 PolarHBondContact NH1-OD1 3.36Å | ||
| 86 | P | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | trans | -59.5 | 146.7 | 174.3 | -26.3 | 38.3 | 0 | 0 | 0 | 112.4 | L180 I182 V209 W215 | P86-L180 CarbonylContact C-O 3.59Å; P86-L180 WeakPolarHBondContact CA-O 3.37Å; P86-L180 HydrophobicContact CB-CD2 4.35Å; P86-L180 HydrophobicContact CB-CG 4.12Å; P86-L180 HydrophobicContact CG-CD2 4.03Å; P86-L180 HydrophobicContact CG-CG 4.21Å; P86-I182 HydrophobicContact CB-CG1 4.22Å; P86-I182 HydrophobicContact CB-CG2 4.21Å; P86-I182 HydrophobicContact CG-CG1 4.35Å; P86-I182 HydrophobicContact CG-CG2 3.87Å; P86-V209 HydrophobicContact CB-CG1 4.13Å; P86-V209 HydrophobicContact CB-CG2 4.48Å; P86-V209 HydrophobicContact CG-CG1 4.32Å; P86-V209 HydrophobicContact CG-CG2 3.87Å; P86-W215 HydrophobicContact CG-CB 4.18Å; P86-W215 HydrophobicContact CG-CD2 4.35Å; P86-W215 HydrophobicContact CG-CE3 3.75Å | ||
| 87 | D | 98.5 | Very high | 97.9 | Very high | 23 Ų | 23 | 21 Ų | 21 | 12% | 0.123 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -72.2 | -34.6 | -178.5 | -67.2 | -56.5 | 0 | 0 | 0 | 112.6 | K34 H66 F176 L180 | K34-D87 PolarHBondContact NZ-O 3.05Å; H66-D87 IonicContact CD2-OD2 2.73Å; H66-D87 IonicContact NE2-OD1 3.49Å; H66-D87 IonicContact NE2-OD2 3.93Å; H66-D87 PolarHBondContact NE2-OD2 2.87Å; H66-D87 VanDerWaalsContact NE2-OD2 3.14Å; D87-F176 HydrophobicContact CB-CZ 4.32Å; D87-L180 PolarHBondContact N-O 2.86Å; D87-L180 PolarHBondContact OD2-N 3Å |
| 88 | R | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 166.1 | -175.5 | 71.8 | 177.2 | -55.8 | 118.3 | 7.8 | 112.8 | E32 P114 Y174 I181 I182 | E32-R88 IonicContact OE1-CZ 3.71Å; E32-R88 VanDerWaalsContact OE1-CZ 3.31Å; E32-R88 IonicContact OE1-NH1 3.53Å; E32-R88 PolarHBondContact OE1-NH1 2.81Å; E32-R88 IonicContact OE1-NH2 3.56Å; E32-R88 PolarHBondContact OE1-NH2 3.15Å; E32-R88 IonicContact OE2-NH1 3.99Å; E32-R88 PolarHBondContact OE2-NH1 3.21Å; E32-R88 VanDerWaalsContact OE2-NH1 3.11Å; R88-P114 CarbonylContact C-O 3.52Å; R88-P114 WeakPolarHBondContact CA-O 2.94Å; R88-P114 HydrophobicContact CB-CB 4.17Å; R88-P114 VanDerWaalsContact CB-O 3.25Å; R88-P114 WeakPolarHBondContact CB-O 3.5Å; R88-Y174 VanDerWaalsContact CZ-CG 3.45Å; R88-I181 HydrophobicContact CG-CB 4.23Å; R88-I181 HydrophobicContact CG-CD1 4.21Å; R88-I181 HydrophobicContact CG-CG1 3.78Å; R88-I181 HydrophobicContact CG-CG2 3.9Å; R88-I182 PolarHBondContact O-N 3.24Å |
| 89 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.5 | 172.8 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | M91 V113 P114 S115 T116 I182 A206 V209 M210 | V89-M91 HydrophobicContact CG1-CE 4.46Å; V89-M91 HydrophobicContact CG1-CG 4.02Å; V89-M91 HydrophobicContact CG1-SD 4.47Å; V89-V113 HydrophobicContact CG2-CG2 3.85Å; V89-P114 PolarHBondContact N-O 3.25Å; V89-S115 VanDerWaalsContact O-CA 3.25Å; V89-S115 WeakPolarHBondContact O-CA 3.49Å; V89-T116 PolarHBondContact O-N 2.85Å; V89-T116 VanDerWaalsContact O-N 3.07Å; V89-I182 WeakPolarHBondContact CA-O 3.41Å; V89-I182 HydrophobicContact CG2-CD1 4.08Å; V89-I182 HydrophobicContact CG2-CG1 3.93Å; V89-A206 HydrophobicContact CG1-CB 3.77Å; V89-V209 HydrophobicContact CG2-CB 3.93Å; V89-V209 HydrophobicContact CG2-CG1 3.83Å; V89-M210 HydrophobicContact CB-CG 4.35Å; V89-M210 HydrophobicContact CG1-CG 4.37Å; V89-M210 HydrophobicContact CG1-SD 4.48Å; V89-M210 HydrophobicContact CG2-CG 4.06Å |
| 90 | A | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 2% | 0.017 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I166 V170 I182 G183 T184 | A90-I166 HydrophobicContact CB-CD1 3.98Å; A90-I166 HydrophobicContact CB-CG1 4.37Å; A90-V170 HydrophobicContact CB-CG2 4.01Å; A90-I182 PolarHBondContact N-O 2.87Å; A90-G183 CarbonylContact O-C 3.49Å; A90-G183 WeakPolarHBondContact O-CA 3.31Å; A90-T184 PolarHBondContact O-N 2.92Å |
| 91 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.2 | -178.2 | -60.3 | 173 | -79.5 | 0 | 0 | 111.1 | V89 A96 A99 L100 T116 V117 H118 I156 T184 M210 | V89-M91 HydrophobicContact CG1-CE 4.46Å; V89-M91 HydrophobicContact CG1-CG 4.02Å; V89-M91 HydrophobicContact CG1-SD 4.47Å; M91-A96 HydrophobicContact CB-CB 3.79Å; M91-A99 HydrophobicContact SD-CB 3.77Å; M91-L100 HydrophobicContact CE-CD2 4.07Å; M91-L100 HydrophobicContact SD-CD2 4.44Å; M91-T116 PolarHBondContact N-O 3.47Å; M91-V117 HydrophobicContact CB-CG2 4.36Å; M91-V117 HydrophobicContact CE-CG2 3.93Å; M91-V117 CarbonylContact O-C 3.57Å; M91-V117 VanDerWaalsContact O-CA 3.26Å; M91-V117 WeakPolarHBondContact O-CA 3.21Å; M91-H118 PolarHBondContact O-CD2 3.39Å; M91-H118 PolarHBondContact O-N 3Å; M91-I156 HydrophobicContact CE-CD1 4.26Å; M91-I156 HydrophobicContact CE-CG2 4.31Å; M91-T184 VanDerWaalsContact CA-OG1 3.27Å; M91-T184 WeakPolarHBondContact CA-OG1 3.43Å; M91-T184 WeakPolarHBondContact CB-OG1 3.21Å; M91-T184 HydrophobicContact CG-CG2 3.86Å; M91-M210 HydrophobicContact CE-CE 4.24Å; M91-M210 HydrophobicContact CE-SD 3.66Å; M91-M210 HydrophobicContact SD-CE 4Å; M91-M210 HydrophobicContact SD-SD 4.18Å |
| 92 | Q | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 8.5 Ų | 8.5 | 2% | 0.019 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 151.3 | 173.6 | 50.1 | 82.1 | -15 | 0 | 0 | 110.4 | A94 T95 A96 H118 D120 H121 I166 D185 | Q92-A94 VanDerWaalsContact C-N 3.27Å; Q92-A94 PolarHBondContact O-N 3.27Å; Q92-A94 VanDerWaalsContact O-N 3.12Å; Q92-A94 VanDerWaalsContact OE1-CA 3.24Å; Q92-A94 VanDerWaalsContact OE1-CB 3.22Å; Q92-T95 PolarHBondContact NE2-OG1 2.8Å; Q92-T95 CarbonylContact O-C 3.59Å; Q92-T95 PolarHBondContact O-N 2.97Å; Q92-T95 PolarHBondContact O-OG1 3.14Å; Q92-A96 WeakPolarHBondContact O-CB 3.19Å; Q92-A96 PolarHBondContact O-N 3.11Å; Q92-H118 CarbonylContact C-O 3.47Å; Q92-H118 WeakPolarHBondContact CA-O 3.37Å; Q92-D120 WeakPolarHBondContact CB-OD1 3.15Å; Q92-H121 VanDerWaalsContact CG-CE1 3.47Å; Q92-H121 WeakPolarHBondContact CG-CE1 3.35Å; Q92-H121 PolarHBondContact NE2-NE2 2.93Å; Q92-H121 PolarHBondContact OE1-ND1 3.38Å; Q92-I166 HydrophobicContact CB-CB 4.33Å; Q92-I166 HydrophobicContact CB-CD1 4.04Å; Q92-I166 HydrophobicContact CB-CG2 4.18Å; Q92-I166 HydrophobicContact CG-CD1 4.44Å; Q92-D185 HydrophobicContact CG-CB 4.06Å; Q92-D185 PolarHBondContact NE2-OD2 3.08Å |
| 93 | D | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -58.7 | -26.2 | -167.3 | 60.4 | -11.7 | 0 | 0 | 0 | 115.8 | Q97 H118 C119 D120 H121 L122 L147 | D93-Q97 WeakPolarHBondContact O-CG 3.5Å; D93-Q97 PolarHBondContact O-NE2 3.45Å; D93-H118 PolarHBondContact N-O 3.35Å; D93-C119 HydrophobicContact CB-CB 4.43Å; D93-C119 WeakPolarHBondContact OD2-CA 3.48Å; D93-D120 PolarHBondContact OD1-N 2.88Å; D93-D120 PolarHBondContact OD2-N 3.47Å; D93-H121 WeakPolarHBondContact OD1-CA 3.2Å; D93-H121 WeakPolarHBondContact OD1-CB 3.27Å; D93-H121 IonicContact OD1-CG 2.75Å; D93-H121 PolarHBondContact OD1-N 2.83Å; D93-H121 IonicContact OD1-ND1 3.79Å; D93-L122 HydrophobicContact CB-CD1 4.43Å; D93-L122 WeakPolarHBondContact OD2-CG 3.38Å; D93-L147 HydrophobicContact CB-CD1 3.55Å |
| 94 | A | 97.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 7.9 Ų | 7.9 | 2% | 0.017 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -75.3 | -24.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q92 H121 L598 R601 | Q92-A94 VanDerWaalsContact C-N 3.27Å; Q92-A94 PolarHBondContact O-N 3.27Å; Q92-A94 VanDerWaalsContact O-N 3.12Å; Q92-A94 VanDerWaalsContact OE1-CA 3.24Å; Q92-A94 VanDerWaalsContact OE1-CB 3.22Å; A94-H121 HydrophobicContact CB-CB 3.64Å; A94-L598 HydrophobicContact CB-CD2 4.12Å; A94-R601 HydrophobicContact CB-CG 4.25Å; A94-R601 VanDerWaalsContact O-CB 3.26Å; A94-R601 WeakPolarHBondContact O-CB 3.47Å; A94-R601 WeakPolarHBondContact O-CD 3.45Å; A94-R601 WeakPolarHBondContact O-CG 3.39Å |
| 95 | T | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 9 Ų | 9 | 3% | 0.031 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -107.8 | -26.1 | 175.9 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | Q92 Q97 M98 A99 T184 | Q92-T95 PolarHBondContact NE2-OG1 2.8Å; Q92-T95 CarbonylContact O-C 3.59Å; Q92-T95 PolarHBondContact O-N 2.97Å; Q92-T95 PolarHBondContact O-OG1 3.14Å; T95-Q97 PolarHBondContact O-N 2.94Å; T95-M98 PolarHBondContact O-N 2.71Å; T95-A99 PolarHBondContact O-N 3.2Å; T95-A99 VanDerWaalsContact O-N 3.09Å; T95-T184 WeakPolarHBondContact CB-O 3.37Å; T95-T184 WeakPolarHBondContact CG2-O 3.49Å; T95-T184 VanDerWaalsContact OG1-CB 3.3Å; T95-T184 WeakPolarHBondContact OG1-CB 3.48Å; T95-T184 PolarHBondContact OG1-O 2.76Å; T95-T184 PolarHBondContact OG1-OG1 3.32Å |
| 96 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -59 | -36.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M91 Q92 M98 A99 L100 V117 L147 | M91-A96 HydrophobicContact CB-CB 3.79Å; Q92-A96 WeakPolarHBondContact O-CB 3.19Å; Q92-A96 PolarHBondContact O-N 3.11Å; A96-M98 PolarHBondContact O-N 3.42Å; A96-A99 PolarHBondContact O-N 3.48Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.46Å; A96-L100 VanDerWaalsContact O-CG 3.24Å; A96-L100 WeakPolarHBondContact O-CG 3.24Å; A96-L100 PolarHBondContact O-N 2.97Å; A96-V117 HydrophobicContact CB-CG1 3.98Å; A96-V117 HydrophobicContact CB-CG2 4Å; A96-L147 HydrophobicContact CB-CD2 3.87Å |
| 97 | Q | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -52.1 | -54.9 | 177 | -75.5 | 170.5 | 76.6 | 0 | 0 | 111.4 | D93 T95 L101 V143 L147 L559 | D93-Q97 WeakPolarHBondContact O-CG 3.5Å; D93-Q97 PolarHBondContact O-NE2 3.45Å; T95-Q97 PolarHBondContact O-N 2.94Å; Q97-L101 WeakPolarHBondContact O-CD1 3.32Å; Q97-L101 WeakPolarHBondContact O-CG 3.35Å; Q97-L101 PolarHBondContact O-N 3.49Å; Q97-L101 VanDerWaalsContact O-N 3.07Å; Q97-V143 VanDerWaalsContact CD-CG1 3.43Å; Q97-V143 HydrophobicContact CG-CG1 3.76Å; Q97-L147 HydrophobicContact CG-CD2 4.2Å; Q97-L559 HydrophobicContact CG-CD2 4.34Å |
| 98 | M | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -74.6 | -37.1 | -176.8 | -167.5 | 56.8 | 62.6 | 0 | 0 | 112.4 | T95 A96 L100 L101 Q102 L562 R601 L604 E666 L670 | T95-M98 PolarHBondContact O-N 2.71Å; A96-M98 PolarHBondContact O-N 3.42Å; M98-L100 PolarHBondContact O-N 2.86Å; M98-L101 HydrophobicContact CE-CD1 4.45Å; M98-L101 PolarHBondContact O-N 2.84Å; M98-L101 HydrophobicContact SD-CD1 4.44Å; M98-Q102 WeakPolarHBondContact O-CG 3.31Å; M98-Q102 PolarHBondContact O-N 2.72Å; M98-Q102 PolarHBondContact O-NE2 2.96Å; M98-L562 HydrophobicContact CE-CD2 4.4Å; M98-L562 HydrophobicContact SD-CD1 3.71Å; M98-L562 HydrophobicContact SD-CD2 3.73Å; M98-L562 HydrophobicContact SD-CG 4.04Å; M98-R601 WeakPolarHBondContact CE-O 3.4Å; M98-L604 HydrophobicContact CE-CB 4.31Å; M98-E666 WeakPolarHBondContact CB-OE1 3.24Å; M98-E666 HydrophobicContact CG-CG 4.31Å; M98-E666 VanDerWaalsContact CG-OE1 3.26Å; M98-E666 WeakPolarHBondContact CG-OE1 3.37Å; M98-L670 HydrophobicContact CE-CD1 4.43Å; M98-L670 HydrophobicContact CG-CD1 3.48Å; M98-L670 VanDerWaalsContact CG-CD1 3.48Å; M98-L670 HydrophobicContact SD-CD1 3.91Å |
| 99 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M91 T95 A96 Q102 F103 V207 | M91-A99 HydrophobicContact SD-CB 3.77Å; T95-A99 PolarHBondContact O-N 3.2Å; T95-A99 VanDerWaalsContact O-N 3.09Å; A96-A99 PolarHBondContact O-N 3.48Å; A99-Q102 PolarHBondContact O-N 2.91Å; A99-F103 PolarHBondContact O-N 3.19Å; A99-V207 VanDerWaalsContact O-CG2 3.24Å; A99-V207 WeakPolarHBondContact O-CG2 3.27Å |
| 100 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.4 | -34.8 | 178.5 | -65.7 | -174.4 | 0 | 0 | 0 | 112.5 | M91 A96 M98 Q102 F103 I104 V117 F146 L147 A150 I156 | M91-L100 HydrophobicContact CE-CD2 4.07Å; M91-L100 HydrophobicContact SD-CD2 4.44Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.46Å; A96-L100 VanDerWaalsContact O-CG 3.24Å; A96-L100 WeakPolarHBondContact O-CG 3.24Å; A96-L100 PolarHBondContact O-N 2.97Å; M98-L100 PolarHBondContact O-N 2.86Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.11Å; L100-F103 PolarHBondContact O-N 2.75Å; L100-I104 WeakPolarHBondContact O-CB 3.29Å; L100-I104 WeakPolarHBondContact O-CD1 3.46Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 3.39Å; L100-V117 HydrophobicContact CD1-CG2 4.27Å; L100-F146 HydrophobicContact CB-CE1 4.34Å; L100-F146 HydrophobicContact CB-CZ 4.1Å; L100-L147 HydrophobicContact CD1-CD2 3.86Å; L100-A150 HydrophobicContact CD1-CB 3.81Å; L100-I156 HydrophobicContact CD2-CD1 3.46Å; L100-I156 VanDerWaalsContact CD2-CD1 3.46Å |
| 101 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 172 | -71.9 | 165.5 | 0 | 0 | 0 | 112.1 | Q97 M98 S105 F146 V552 Q560 L561 L562 G602 | Q97-L101 WeakPolarHBondContact O-CD1 3.32Å; Q97-L101 WeakPolarHBondContact O-CG 3.35Å; Q97-L101 PolarHBondContact O-N 3.49Å; Q97-L101 VanDerWaalsContact O-N 3.07Å; M98-L101 HydrophobicContact CE-CD1 4.45Å; M98-L101 PolarHBondContact O-N 2.84Å; M98-L101 HydrophobicContact SD-CD1 4.44Å; L101-S105 PolarHBondContact O-N 3.28Å; L101-S105 VanDerWaalsContact O-N 3.17Å; L101-S105 PolarHBondContact O-OG 2.87Å; L101-F146 HydrophobicContact CD2-CE2 4.31Å; L101-F146 HydrophobicContact CD2-CZ 4.09Å; L101-F146 HydrophobicContact CG-CZ 4.08Å; L101-V552 HydrophobicContact CD2-CG2 4.19Å; L101-Q560 WeakPolarHBondContact CD1-O 3.43Å; L101-L561 HydrophobicContact CD2-CD2 4.01Å; L101-L562 HydrophobicContact CB-CD1 4.21Å; L101-L562 HydrophobicContact CB-CG 4.33Å; L101-G602 VanDerWaalsContact CD1-O 3.31Å; L101-G602 WeakPolarHBondContact CD1-O 3.2Å |
| 102 | Q | 96.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 172.2 | -71.4 | 178.9 | 97.5 | 0 | 0 | 111.5 | M98 A99 L100 S105 S106 V207 L562 E666 L766 | M98-Q102 WeakPolarHBondContact O-CG 3.31Å; M98-Q102 PolarHBondContact O-N 2.72Å; M98-Q102 PolarHBondContact O-NE2 2.96Å; A99-Q102 PolarHBondContact O-N 2.91Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.11Å; Q102-S105 WeakPolarHBondContact O-CB 3.39Å; Q102-S105 PolarHBondContact O-N 3.02Å; Q102-S105 VanDerWaalsContact O-N 3.12Å; Q102-S106 PolarHBondContact O-N 3.13Å; Q102-V207 HydrophobicContact CB-CG2 3.86Å; Q102-L562 HydrophobicContact CB-CD1 4.43Å; Q102-L562 HydrophobicContact CG-CD1 3.44Å; Q102-L562 VanDerWaalsContact CG-CD1 3.44Å; Q102-E666 PolarHBondContact NE2-OE1 3.11Å; Q102-E666 PolarHBondContact NE2-OE2 3.45Å; Q102-L766 HydrophobicContact CB-CD2 4.29Å; Q102-L766 HydrophobicContact CG-CD2 4.21Å |
| 103 | F | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.3 | -170.1 | -99 | 0 | 0 | 0 | 112.3 | A99 L100 S105 S106 L108 V111 Y154 V207 M210 | A99-F103 PolarHBondContact O-N 3.19Å; L100-F103 PolarHBondContact O-N 2.75Å; F103-S105 PolarHBondContact O-N 2.83Å; F103-S106 VanDerWaalsContact O-CB 3.29Å; F103-S106 WeakPolarHBondContact O-CB 3.37Å; F103-S106 PolarHBondContact O-N 3.48Å; F103-S106 PolarHBondContact O-OG 2.84Å; F103-L108 HydrophobicContact CE1-CB 4.42Å; F103-L108 HydrophobicContact CE2-CB 4.28Å; F103-L108 HydrophobicContact CE2-CD1 4.2Å; F103-L108 HydrophobicContact CZ-CB 3.82Å; F103-L108 HydrophobicContact CZ-CD1 4.49Å; F103-V111 HydrophobicContact CE1-CG1 4.16Å; F103-V111 HydrophobicContact CE2-CG1 4.25Å; F103-V111 HydrophobicContact CZ-CG1 3.93Å; F103-Y154 HydrophobicContact CD1-CD1 4.04Å; F103-Y154 HydrophobicContact CD1-CD2 4.35Å; F103-Y154 HydrophobicContact CD1-CE1 4.43Å; F103-Y154 AromaticContact CD1-CG 4Å; F103-Y154 HydrophobicContact CD1-CG 4Å; F103-Y154 AromaticContact CE1-CD1 3.61Å; F103-Y154 HydrophobicContact CE1-CD1 3.61Å; F103-Y154 HydrophobicContact CE1-CE1 4.24Å; F103-Y154 AromaticContact CE1-CG 3.84Å; F103-Y154 HydrophobicContact CE1-CG 3.84Å; F103-V207 HydrophobicContact CB-CG2 4.26Å; F103-V207 HydrophobicContact CD2-CG1 4.35Å; F103-M210 HydrophobicContact CB-CE 4.34Å; F103-M210 HydrophobicContact CD2-CB 3.88Å; F103-M210 HydrophobicContact CD2-CE 4.25Å; F103-M210 HydrophobicContact CE2-CB 3.77Å; F103-M210 HydrophobicContact CG-CE 4.46Å |
| 104 | I | 93.7 | Very high | 95.1 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 19% | 0.19 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.2 | -41.5 | 172.8 | -71.8 | 161.2 | 0 | 0 | 0 | 110.3 | L100 S106 G107 F146 Y154 V550 | L100-I104 WeakPolarHBondContact O-CB 3.29Å; L100-I104 WeakPolarHBondContact O-CD1 3.46Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 3.39Å; I104-S106 PolarHBondContact O-N 3.14Å; I104-G107 PolarHBondContact O-N 3.39Å; I104-G107 VanDerWaalsContact O-N 3.15Å; I104-F146 HydrophobicContact CD1-CE2 3.84Å; I104-F146 HydrophobicContact CD1-CZ 4.08Å; I104-Y154 HydrophobicContact CD1-CE2 4.33Å; I104-Y154 HydrophobicContact CG1-CE2 3.58Å; I104-Y154 WeakPolarHBondContact CG1-OH 3.38Å; I104-V550 HydrophobicContact CD1-CG1 4.09Å |
| 105 | S | 89.7 | Confident | 95.2 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 16% | 0.161 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.2 | -18 | -179.6 | -57.4 | 0 | 0 | 0 | 0 | 113.9 | L101 Q102 F103 G107 R770 | L101-S105 PolarHBondContact O-N 3.28Å; L101-S105 VanDerWaalsContact O-N 3.17Å; L101-S105 PolarHBondContact O-OG 2.87Å; Q102-S105 WeakPolarHBondContact O-CB 3.39Å; Q102-S105 PolarHBondContact O-N 3.02Å; Q102-S105 VanDerWaalsContact O-N 3.12Å; F103-S105 PolarHBondContact O-N 2.83Å; S105-G107 VanDerWaalsContact C-N 3.27Å; S105-R770 PolarHBondContact O-NE 3.46Å |
| 106 | S | 86.8 | Confident | 95.2 | Very high | 25 Ų | 25 | 26.5 Ų | 26.5 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.1 | -25 | 172.1 | 78.3 | 0 | 0 | 0 | 0 | 112.5 | Q102 F103 I104 L108 | Q102-S106 PolarHBondContact O-N 3.13Å; F103-S106 VanDerWaalsContact O-CB 3.29Å; F103-S106 WeakPolarHBondContact O-CB 3.37Å; F103-S106 PolarHBondContact O-N 3.48Å; F103-S106 PolarHBondContact O-OG 2.84Å; I104-S106 PolarHBondContact O-N 3.14Å; S106-L108 VanDerWaalsContact C-N 3.25Å; S106-L108 PolarHBondContact O-N 3.1Å; S106-L108 WeakPolarHBondContact OG-CB 3.22Å; S106-L108 PolarHBondContact OG-N 3.07Å |
| 107 | G | 87.2 | Confident | 95.3 | Very high | 65 Ų | 65 | 26.5 Ų | 26.5 | 67% | 0.67 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 1.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I104 S105 | I104-G107 PolarHBondContact O-N 3.39Å; I104-G107 VanDerWaalsContact O-N 3.15Å; S105-G107 VanDerWaalsContact C-N 3.27Å |
| 108 | L | 89.9 | Confident | 95.3 | Very high | 65 Ų | 65 | 26.5 Ų | 26.5 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | trans | -69 | 143.6 | 179.7 | -68.7 | 174.1 | 0 | 0 | 0 | 112.2 | F103 S106 Y154 A211 | F103-L108 HydrophobicContact CE1-CB 4.42Å; F103-L108 HydrophobicContact CE2-CB 4.28Å; F103-L108 HydrophobicContact CE2-CD1 4.2Å; F103-L108 HydrophobicContact CZ-CB 3.82Å; F103-L108 HydrophobicContact CZ-CD1 4.49Å; S106-L108 VanDerWaalsContact C-N 3.25Å; S106-L108 PolarHBondContact O-N 3.1Å; S106-L108 WeakPolarHBondContact OG-CB 3.22Å; S106-L108 PolarHBondContact OG-N 3.07Å; L108-Y154 WeakPolarHBondContact O-CE1 3.26Å; L108-A211 HydrophobicContact CD1-CB 3.43Å; L108-A211 VanDerWaalsContact CD1-CB 3.43Å | ||
| 109 | P | 91.5 | Very high | 95.3 | Very high | 99 Ų | 99 | 26.5 Ų | 26.5 | 64% | 0.643 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -80.4 | -28.3 | -173.3 | 30.6 | -35.5 | 0 | 0 | 0 | 113.8 | Y154 | P109-Y154 WeakPolarHBondContact O-CD1 3.38Š|
| 110 | R | 94.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 26.5 Ų | 26.5 | 46% | 0.457 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -154.4 | 159 | 179.4 | -69.6 | -160.9 | -156.9 | 172.5 | 6.5 | 111.4 | Y154 T543 | R110-Y154 CarbonylContact C-O 3.58Å; R110-Y154 VanDerWaalsContact CA-O 3.29Å; R110-Y154 WeakPolarHBondContact CA-O 3.38Å; R110-T543 PolarHBondContact NH2-O 3.29Å |
| 111 | V | 96.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | trans | -70.6 | 148.1 | 172.4 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | F103 V113 Y154 I156 M210 | F103-V111 HydrophobicContact CE1-CG1 4.16Å; F103-V111 HydrophobicContact CE2-CG1 4.25Å; F103-V111 HydrophobicContact CZ-CG1 3.93Å; V111-V113 WeakPolarHBondContact CG2-O 3.43Å; V111-Y154 PolarHBondContact N-O 2.87Å; V111-I156 HydrophobicContact CG1-CD1 3.78Å; V111-I156 HydrophobicContact CG1-CG1 3.68Å; V111-I156 HydrophobicContact CG2-CG1 4.08Å; V111-M210 CarbonylContact C-O 3.54Å; V111-M210 WeakPolarHBondContact CA-O 3.26Å; V111-M210 HydrophobicContact CB-CB 4.12Å; V111-M210 HydrophobicContact CB-CG 4.19Å; V111-M210 HydrophobicContact CG1-CB 3.89Å; V111-M210 HydrophobicContact CG1-CG 3.87Å; V111-M210 HydrophobicContact CG1-SD 3.7Å | ||
| 112 | A | 96.7 | Very high | 95.4 | Very high | 52 Ų | 52 | 27.4 Ų | 27.4 | 43% | 0.43 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -88 | -19.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M210 N212 | A112-M210 WeakPolarHBondContact CB-O 3.43Å; A112-M210 PolarHBondContact N-O 3.48Å; A112-N212 HydrophobicContact CB-CB 3.53Å |
| 113 | V | 97.1 | Very high | 95.4 | Very high | 19 Ų | 19 | 27.3 Ų | 27.3 | 12% | 0.115 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -128.5 | 155.3 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 110.2 | V89 V111 S115 V209 | V89-V113 HydrophobicContact CG2-CG2 3.85Å; V111-V113 WeakPolarHBondContact CG2-O 3.43Å; V113-S115 PolarHBondContact O-N 3.48Å; V113-S115 PolarHBondContact O-OG 3.36Å; V113-V209 HydrophobicContact CG1-CG1 4.18Å; V113-V209 HydrophobicContact CG2-CG1 3.61Å |
| 114 | P | 98.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | trans | -46.1 | 127.3 | 170.5 | -29.7 | 36.1 | 0 | 0 | 0 | 111.1 | L28 E32 K34 R88 V89 | L28-P114 HydrophobicContact CD1-CG 4.43Å; E32-P114 HydrophobicContact CG-CB 4.05Å; E32-P114 HydrophobicContact CG-CG 4.39Å; K34-P114 HydrophobicContact CB-CG 4.18Å; K34-P114 HydrophobicContact CD-CG 3.78Å; R88-P114 CarbonylContact C-O 3.52Å; R88-P114 WeakPolarHBondContact CA-O 2.94Å; R88-P114 HydrophobicContact CB-CB 4.17Å; R88-P114 VanDerWaalsContact CB-O 3.25Å; R88-P114 WeakPolarHBondContact CB-O 3.5Å; V89-P114 PolarHBondContact N-O 3.25Å | ||
| 115 | S | 98.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 141.9 | -174.6 | -60 | 0 | 0 | 0 | 0 | 109.4 | V89 V113 I156 G157 | V89-S115 VanDerWaalsContact O-CA 3.25Å; V89-S115 WeakPolarHBondContact O-CA 3.49Å; V113-S115 PolarHBondContact O-N 3.48Å; V113-S115 PolarHBondContact O-OG 3.36Å; S115-I156 CarbonylContact O-C 3.45Å; S115-I156 WeakPolarHBondContact O-CA 3.2Å; S115-I156 VanDerWaalsContact O-CG2 3.27Å; S115-I156 WeakPolarHBondContact O-CG2 3.39Å; S115-G157 PolarHBondContact O-N 3.03Å |
| 116 | T | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.9 | 176.8 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | V89 M91 H118 G157 Y174 | V89-T116 PolarHBondContact O-N 2.85Å; V89-T116 VanDerWaalsContact O-N 3.07Å; M91-T116 PolarHBondContact N-O 3.47Å; T116-H118 WeakPolarHBondContact CB-NE2 3.47Å; T116-H118 PolarHBondContact OG1-NE2 3.39Å; T116-G157 CarbonylContact C-O 3.57Å; T116-G157 VanDerWaalsContact CA-O 3.25Å; T116-G157 WeakPolarHBondContact CA-O 3.4Å; T116-Y174 HydrophobicContact CG2-CE1 4.34Å; T116-Y174 HydrophobicContact CG2-CE2 4.06Å |
| 117 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.2 | 167.5 | 171 | 0 | 0 | 0 | 0 | 108.9 | M91 A96 L100 L147 I156 G157 F158 W159 | M91-V117 HydrophobicContact CB-CG2 4.36Å; M91-V117 HydrophobicContact CE-CG2 3.93Å; M91-V117 CarbonylContact O-C 3.57Å; M91-V117 VanDerWaalsContact O-CA 3.26Å; M91-V117 WeakPolarHBondContact O-CA 3.21Å; A96-V117 HydrophobicContact CB-CG1 3.98Å; A96-V117 HydrophobicContact CB-CG2 4Å; L100-V117 HydrophobicContact CD1-CG2 4.27Å; V117-L147 HydrophobicContact CG1-CB 4.31Å; V117-L147 HydrophobicContact CG1-CD1 4.13Å; V117-L147 HydrophobicContact CG1-CD2 4.41Å; V117-I156 HydrophobicContact CG2-CG2 4.03Å; V117-G157 PolarHBondContact N-O 3.4Å; V117-F158 HydrophobicContact CB-CD2 4.04Å; V117-F158 HydrophobicContact CG1-CD2 3.91Å; V117-F158 HydrophobicContact CG1-CE2 4.01Å; V117-W159 PolarHBondContact O-N 3.29Å |
| 118 | H | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.2 | -178.9 | -57.6 | -100.2 | 0 | 0 | 0 | 110.7 | M91 Q92 D93 T116 D120 W159 I166 | M91-H118 PolarHBondContact O-CD2 3.39Å; M91-H118 PolarHBondContact O-N 3Å; Q92-H118 CarbonylContact C-O 3.47Å; Q92-H118 WeakPolarHBondContact CA-O 3.37Å; D93-H118 PolarHBondContact N-O 3.35Å; T116-H118 WeakPolarHBondContact CB-NE2 3.47Å; T116-H118 PolarHBondContact OG1-NE2 3.39Å; H118-D120 PolarHBondContact O-N 3.42Å; H118-W159 AromaticContact CE1-CD1 3.35Å; H118-W159 AromaticContact CE1-NE1 3.68Å; H118-W159 AromaticContact ND1-CD1 3.44Å; H118-W159 AromaticContact ND1-CG 3.74Å; H118-I166 HydrophobicContact CB-CB 3.89Å; H118-I166 HydrophobicContact CB-CG1 4.31Å |
| 119 | C | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -96.4 | 84 | -177.6 | -72.1 | 0 | 0 | 0 | 0 | 113 | D93 Y144 F158 W159 P161 | D93-C119 HydrophobicContact CB-CB 4.43Å; D93-C119 WeakPolarHBondContact OD2-CA 3.48Å; C119-Y144 HydrophobicContact CB-CD1 4.38Å; C119-Y144 HydrophobicContact CB-CE1 4.01Å; C119-F158 WeakPolarHBondContact SG-CE2 3.35Å; C119-F158 VanDerWaalsContact SG-CZ 3.51Å; C119-W159 PolarHBondContact N-O 3.12Å; C119-P161 HydrophobicContact CB-CB 4.21Å; C119-P161 HydrophobicContact CB-CG 3.8Å | ||
| 120 | D | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -133 | -13.8 | -170.3 | 61.4 | -11.1 | 0 | 0 | 0 | 115.3 | Q92 D93 H118 I165 I166 A441 C442 | Q92-D120 WeakPolarHBondContact CB-OD1 3.15Å; D93-D120 PolarHBondContact OD1-N 2.88Å; D93-D120 PolarHBondContact OD2-N 3.47Å; H118-D120 PolarHBondContact O-N 3.42Å; D120-I165 WeakPolarHBondContact OD2-CA 3.04Å; D120-I165 WeakPolarHBondContact OD2-CG2 3.13Å; D120-I166 WeakPolarHBondContact OD2-CG2 3.46Å; D120-I166 PolarHBondContact OD2-N 3.38Å; D120-A441 WeakPolarHBondContact O-CB 3.44Å; D120-C442 WeakPolarHBondContact O-CB 3.37Å; D120-C442 PolarHBondContact O-N 3.05Å | ||
| 121 | H | 98.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -96.7 | -9.8 | -177.4 | -72.2 | 60.7 | 0 | 0 | 0 | 114.3 | Q92 D93 A94 D185 C442 Q448 L598 | Q92-H121 VanDerWaalsContact CG-CE1 3.47Å; Q92-H121 WeakPolarHBondContact CG-CE1 3.35Å; Q92-H121 PolarHBondContact NE2-NE2 2.93Å; Q92-H121 PolarHBondContact OE1-ND1 3.38Å; D93-H121 WeakPolarHBondContact OD1-CA 3.2Å; D93-H121 WeakPolarHBondContact OD1-CB 3.27Å; D93-H121 IonicContact OD1-CG 2.75Å; D93-H121 PolarHBondContact OD1-N 2.83Å; D93-H121 IonicContact OD1-ND1 3.79Å; A94-H121 HydrophobicContact CB-CB 3.64Å; H121-D185 IonicContact CE1-OD2 2.73Å; H121-D185 IonicContact NE2-OD2 3.66Å; H121-C442 PolarHBondContact CE1-SG 3.05Å; H121-Q448 WeakPolarHBondContact O-CG 3.37Å; H121-L598 WeakPolarHBondContact O-CD1 3.35Å |
| 122 | L | 98 | Very high | 96.6 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -105.6 | 7.3 | -174.6 | -59.1 | -178.8 | 0 | 0 | 0 | 114.5 | D93 N140 V143 Y144 L598 | D93-L122 HydrophobicContact CB-CD1 4.43Å; D93-L122 WeakPolarHBondContact OD2-CG 3.38Å; L122-N140 HydrophobicContact CD1-CB 4.43Å; L122-N140 PolarHBondContact O-ND2 3.38Å; L122-V143 HydrophobicContact CD1-CB 4.4Å; L122-V143 HydrophobicContact CD1-CG1 3.81Å; L122-Y144 HydrophobicContact CB-CE1 4.31Å; L122-Y144 WeakPolarHBondContact CB-OH 3.44Å; L122-Y144 HydrophobicContact CD1-CE1 4.11Å; L122-L598 HydrophobicContact CD2-CB 3.85Å |
| 123 | I | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | trans | -96 | 106.9 | 178.1 | -56.9 | 164.6 | 0 | 0 | 0 | 109.4 | D132 L133 A136 P161 A439 A441 | I123-D132 HydrophobicContact CG2-CB 4.41Å; I123-L133 HydrophobicContact CD1-CD1 3.84Å; I123-L133 HydrophobicContact CG1-CD1 4.46Å; I123-A136 HydrophobicContact CB-CB 4.12Å; I123-A136 HydrophobicContact CG1-CB 3.72Å; I123-A136 HydrophobicContact CG2-CB 4.12Å; I123-P161 HydrophobicContact CD1-CB 4.3Å; I123-A439 HydrophobicContact CG2-CB 3.79Å; I123-A441 HydrophobicContact CB-CB 3.74Å; I123-A441 HydrophobicContact CD1-CB 3.71Å; I123-A441 HydrophobicContact CG1-CB 4.23Å; I123-A441 HydrophobicContact CG2-CB 4.24Å | ||
| 124 | E | 97.4 | Very high | 96.7 | Very high | 68 Ų | 68 | 29 Ų | 29 | 32% | 0.318 | 17% | 0.169 | S | C | . | . | trans | -78.4 | 120.7 | 178.4 | -170.2 | -170.5 | -135.1 | 0 | 0 | 111.2 | D132 R135 | E124-D132 WeakPolarHBondContact O-CB 3.35Å; E124-R135 PolarHBondContact O-NH2 3.41Å; E124-R135 IonicContact OE2-NE 3.29Å | ||
| 125 | A | 96.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -70.5 | 129.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | D132 L438 P444 Q448 W449 S450 | A125-D132 WeakPolarHBondContact CA-OD2 3.31Å; A125-L438 HydrophobicContact CB-CD1 3.9Å; A125-L438 HydrophobicContact CB-CD2 4.02Å; A125-P444 HydrophobicContact CB-CG 4.01Å; A125-Q448 PolarHBondContact N-O 3.1Å; A125-W449 WeakPolarHBondContact O-CA 3.42Å; A125-S450 PolarHBondContact O-N 2.73Å |
| 126 | K | 93.7 | Very high | 96.6 | Very high | 99 Ų | 99 | 30.6 Ų | 30.6 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -154 | -58 | 176.7 | -174.9 | -176.6 | 162.6 | -157.7 | 0 | 112.9 | D132 | K126-D132 PolarHBondContact N-OD1 2.93Å; K126-D132 PolarHBondContact N-OD2 3.3Å |
| 127 | D | 89.4 | Confident | 96.6 | Very high | 88 Ų | 88 | 33.3 Ų | 33.3 | 47% | 0.471 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -117 | -5.5 | -166.7 | -55.3 | -59.4 | 0 | 0 | 0 | 112.2 | T131 D132 R135 | D127-T131 HydrophobicContact CB-CG2 3.94Å; D127-D132 PolarHBondContact N-OD1 3.5Å; D127-D132 PolarHBondContact N-OD2 3.13Å; D127-R135 IonicContact OD2-NH1 3.37Å; D127-R135 PolarHBondContact OD2-NH1 3.26Å |
| 128 | G | 91.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | trans | 114.8 | 164.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G130 T131 D132 | G128-G130 PolarHBondContact O-N 3.11Å; G128-T131 PolarHBondContact O-N 3.19Å; G128-D132 PolarHBondContact N-OD2 3.24Å; G128-D132 VanDerWaalsContact O-CB 3.26Å; G128-D132 WeakPolarHBondContact O-CB 3.27Å; G128-D132 PolarHBondContact O-N 3.38Å | ||
| 129 | A | 93.5 | Very high | 96.4 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 22% | 0.223 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -47.6 | -54.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L133 V437 A439 | A129-L133 VanDerWaalsContact O-CB 3.28Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 PolarHBondContact O-N 3.41Å; A129-V437 PolarHBondContact N-O 2.83Å; A129-V437 VanDerWaalsContact N-O 3.11Å; A129-A439 HydrophobicContact CB-CB 4.47Å |
| 130 | G | 94 | Very high | 96.4 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.2 | -47.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | G128 L133 N134 | G128-G130 PolarHBondContact O-N 3.11Å; G130-L133 PolarHBondContact O-N 3.45Å; G130-N134 VanDerWaalsContact O-CG 3.32Å; G130-N134 PolarHBondContact O-N 3.34Å; G130-N134 PolarHBondContact O-ND2 2.96Å |
| 131 | T | 96.2 | Very high | 96.3 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 179 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | D127 G128 N134 R135 | D127-T131 HydrophobicContact CB-CG2 3.94Å; G128-T131 PolarHBondContact O-N 3.19Å; T131-N134 PolarHBondContact O-N 2.86Å; T131-R135 WeakPolarHBondContact O-CB 3.49Å; T131-R135 PolarHBondContact O-N 3.34Å |
| 132 | D | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | -179.1 | -67.1 | -18.4 | 0 | 0 | 0 | 111.5 | I123 E124 A125 K126 D127 G128 R135 A136 | I123-D132 HydrophobicContact CG2-CB 4.41Å; E124-D132 WeakPolarHBondContact O-CB 3.35Å; A125-D132 WeakPolarHBondContact CA-OD2 3.31Å; K126-D132 PolarHBondContact N-OD1 2.93Å; K126-D132 PolarHBondContact N-OD2 3.3Å; D127-D132 PolarHBondContact N-OD1 3.5Å; D127-D132 PolarHBondContact N-OD2 3.13Å; G128-D132 PolarHBondContact N-OD2 3.24Å; G128-D132 VanDerWaalsContact O-CB 3.26Å; G128-D132 WeakPolarHBondContact O-CB 3.27Å; G128-D132 PolarHBondContact O-N 3.38Å; D132-R135 IonicContact OD1-CZ 4Å; D132-R135 IonicContact OD1-NH1 3.89Å; D132-R135 PolarHBondContact OD1-NH1 3.08Å; D132-R135 IonicContact OD1-NH2 3.99Å; D132-R135 PolarHBondContact OD1-NH2 3.5Å; D132-A136 WeakPolarHBondContact O-CB 3.49Å; D132-A136 PolarHBondContact O-N 3.28Å |
| 133 | L | 97.5 | Very high | 96.4 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 176.4 | -179.7 | 58.8 | 0 | 0 | 0 | 112.2 | I123 A129 G130 R135 A136 N137 P161 | I123-L133 HydrophobicContact CD1-CD1 3.84Å; I123-L133 HydrophobicContact CG1-CD1 4.46Å; A129-L133 VanDerWaalsContact O-CB 3.28Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 PolarHBondContact O-N 3.41Å; G130-L133 PolarHBondContact O-N 3.45Å; L133-R135 PolarHBondContact O-N 3.26Å; L133-A136 PolarHBondContact O-N 2.91Å; L133-N137 PolarHBondContact O-N 2.89Å; L133-N137 PolarHBondContact O-ND2 2.8Å; L133-P161 HydrophobicContact CD1-CB 3.84Å |
| 134 | N | 97.7 | Very high | 96.4 | Very high | 102 Ų | 102 | 52.7 Ų | 52.7 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.8 | -73.6 | -17.8 | 0 | 0 | 0 | 111.1 | G130 T131 A136 N137 D138 | G130-N134 VanDerWaalsContact O-CG 3.32Å; G130-N134 PolarHBondContact O-N 3.34Å; G130-N134 PolarHBondContact O-ND2 2.96Å; T131-N134 PolarHBondContact O-N 2.86Å; N134-A136 VanDerWaalsContact C-N 3.29Å; N134-A136 PolarHBondContact O-N 3.35Å; N134-N137 PolarHBondContact O-N 3.44Å; N134-D138 PolarHBondContact O-N 3.48Å; N134-D138 VanDerWaalsContact O-N 3.16Å |
| 135 | R | 97.9 | Very high | 96.4 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 21% | 0.211 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 175.6 | -179.3 | 175.1 | 62.9 | -113.4 | -4.9 | 112 | E124 D127 T131 D132 L133 D138 T139 | E124-R135 PolarHBondContact O-NH2 3.41Å; E124-R135 IonicContact OE2-NE 3.29Å; D127-R135 IonicContact OD2-NH1 3.37Å; D127-R135 PolarHBondContact OD2-NH1 3.26Å; T131-R135 WeakPolarHBondContact O-CB 3.49Å; T131-R135 PolarHBondContact O-N 3.34Å; D132-R135 IonicContact OD1-CZ 4Å; D132-R135 IonicContact OD1-NH1 3.89Å; D132-R135 PolarHBondContact OD1-NH1 3.08Å; D132-R135 IonicContact OD1-NH2 3.99Å; D132-R135 PolarHBondContact OD1-NH2 3.5Å; L133-R135 PolarHBondContact O-N 3.26Å; R135-D138 PolarHBondContact O-N 3.12Å; R135-T139 VanDerWaalsContact O-CB 3.24Å; R135-T139 WeakPolarHBondContact O-CB 3.28Å; R135-T139 PolarHBondContact O-N 3.05Å; R135-T139 PolarHBondContact O-OG1 2.98Å |
| 136 | A | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I123 D132 L133 N134 D138 T139 N140 Y144 | I123-A136 HydrophobicContact CB-CB 4.12Å; I123-A136 HydrophobicContact CG1-CB 3.72Å; I123-A136 HydrophobicContact CG2-CB 4.12Å; D132-A136 WeakPolarHBondContact O-CB 3.49Å; D132-A136 PolarHBondContact O-N 3.28Å; L133-A136 PolarHBondContact O-N 2.91Å; N134-A136 VanDerWaalsContact C-N 3.29Å; N134-A136 PolarHBondContact O-N 3.35Å; A136-D138 VanDerWaalsContact C-N 3.3Å; A136-D138 PolarHBondContact O-N 3.44Å; A136-T139 PolarHBondContact O-N 2.56Å; A136-N140 VanDerWaalsContact O-CB 3.32Å; A136-N140 WeakPolarHBondContact O-CB 3.27Å; A136-N140 PolarHBondContact O-N 3Å; A136-N140 PolarHBondContact O-ND2 2.88Å; A136-Y144 WeakPolarHBondContact O-CE2 3.4Å |
| 137 | N | 98 | Very high | 96.6 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 176 | -76.7 | -33.6 | 0 | 0 | 0 | 112 | L133 N134 K141 P161 | L133-N137 PolarHBondContact O-N 2.89Å; L133-N137 PolarHBondContact O-ND2 2.8Å; N134-N137 PolarHBondContact O-N 3.44Å; N137-K141 WeakPolarHBondContact O-CA 3.5Å; N137-K141 WeakPolarHBondContact O-CB 2.83Å; N137-K141 PolarHBondContact O-N 2.98Å; N137-P161 WeakPolarHBondContact OD1-CB 3.42Å; N137-P161 WeakPolarHBondContact OD1-CG 3.43Å |
| 138 | D | 97.8 | Very high | 97 | Very high | 127 Ų | 127 | 46.5 Ų | 46.5 | 68% | 0.679 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -72.3 | -49.2 | 176.5 | -67.5 | -25.8 | 0 | 0 | 0 | 111.7 | N134 R135 A136 N140 K141 | N134-D138 PolarHBondContact O-N 3.48Å; N134-D138 VanDerWaalsContact O-N 3.16Å; R135-D138 PolarHBondContact O-N 3.12Å; A136-D138 VanDerWaalsContact C-N 3.3Å; A136-D138 PolarHBondContact O-N 3.44Å; D138-N140 VanDerWaalsContact C-N 3.33Å; D138-N140 PolarHBondContact O-N 3.48Å; D138-K141 PolarHBondContact O-N 2.82Å |
| 139 | T | 96.9 | Very high | 97.3 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.2 | -30.2 | -173.1 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | R135 A136 R558 | R135-T139 VanDerWaalsContact O-CB 3.24Å; R135-T139 WeakPolarHBondContact O-CB 3.28Å; R135-T139 PolarHBondContact O-N 3.05Å; R135-T139 PolarHBondContact O-OG1 2.98Å; A136-T139 PolarHBondContact O-N 2.56Å; T139-R558 PolarHBondContact O-NH1 3.08Å |
| 140 | N | 97.9 | Very high | 97.5 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 14.1 | -176.8 | -58.2 | -61.4 | 0 | 0 | 0 | 113.1 | L122 A136 D138 E142 V143 Y144 R558 | L122-N140 HydrophobicContact CD1-CB 4.43Å; L122-N140 PolarHBondContact O-ND2 3.38Å; A136-N140 VanDerWaalsContact O-CB 3.32Å; A136-N140 WeakPolarHBondContact O-CB 3.27Å; A136-N140 PolarHBondContact O-N 3Å; A136-N140 PolarHBondContact O-ND2 2.88Å; D138-N140 VanDerWaalsContact C-N 3.33Å; D138-N140 PolarHBondContact O-N 3.48Å; N140-E142 VanDerWaalsContact C-N 3.27Å; N140-E142 PolarHBondContact O-N 2.87Å; N140-E142 VanDerWaalsContact O-N 3.17Å; N140-V143 PolarHBondContact O-N 2.86Å; N140-Y144 HydrophobicContact CB-CD2 3.96Å; N140-Y144 HydrophobicContact CB-CE1 4.21Å; N140-Y144 HydrophobicContact CB-CE2 3.58Å; N140-Y144 HydrophobicContact CB-CG 4.45Å; N140-Y144 PolarHBondContact O-N 2.59Å; N140-R558 PolarHBondContact OD1-NH1 3.02Å; N140-R558 PolarHBondContact OD1-NH2 2.7Å |
| 141 | K | 97.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 44 Ų | 44 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -45.2 | -50.5 | -178.5 | -176.4 | 173.4 | 175.9 | 177.4 | 0 | 113 | N137 D138 V143 Y144 E145 | N137-K141 WeakPolarHBondContact O-CA 3.5Å; N137-K141 WeakPolarHBondContact O-CB 2.83Å; N137-K141 PolarHBondContact O-N 2.98Å; D138-K141 PolarHBondContact O-N 2.82Å; K141-V143 VanDerWaalsContact C-N 3.34Å; K141-V143 PolarHBondContact O-N 3.08Å; K141-Y144 PolarHBondContact O-N 2.91Å; K141-E145 WeakPolarHBondContact CE-OE1 3.21Å; K141-E145 HydrophobicContact CG-CG 4.28Å; K141-E145 IonicContact NZ-OE1 2.74Å; K141-E145 WeakPolarHBondContact O-CB 3.41Å; K141-E145 WeakPolarHBondContact O-CG 3.35Å; K141-E145 PolarHBondContact O-N 3.22Å |
| 142 | E | 97.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.2 | -45.7 | 179.5 | -173.7 | -168.5 | 170.2 | 0 | 0 | 112.6 | N140 F146 S556 R558 L559 | N140-E142 VanDerWaalsContact C-N 3.27Å; N140-E142 PolarHBondContact O-N 2.87Å; N140-E142 VanDerWaalsContact O-N 3.17Å; E142-F146 WeakPolarHBondContact O-CB 3.12Å; E142-F146 PolarHBondContact O-N 3.49Å; E142-S556 WeakPolarHBondContact OE1-CB 3.01Å; E142-S556 PolarHBondContact OE1-OG 2.79Å; E142-R558 WeakPolarHBondContact OE2-CB 3.34Å; E142-R558 WeakPolarHBondContact OE2-CG 3.34Å; E142-L559 HydrophobicContact CG-CD1 4.08Å |
| 143 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.3 | -42.9 | -179.4 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | Q97 L122 N140 K141 F146 L147 R558 | Q97-V143 VanDerWaalsContact CD-CG1 3.43Å; Q97-V143 HydrophobicContact CG-CG1 3.76Å; L122-V143 HydrophobicContact CD1-CB 4.4Å; L122-V143 HydrophobicContact CD1-CG1 3.81Å; N140-V143 PolarHBondContact O-N 2.86Å; K141-V143 VanDerWaalsContact C-N 3.34Å; K141-V143 PolarHBondContact O-N 3.08Å; V143-F146 PolarHBondContact O-N 3.18Å; V143-L147 HydrophobicContact CG1-CD1 4.06Å; V143-L147 HydrophobicContact CG1-CG 4.36Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.32Å; V143-L147 PolarHBondContact O-N 3.31Å; V143-R558 HydrophobicContact CG2-CB 4.14Å |
| 144 | Y | 98.2 | Very high | 97.6 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 178.6 | -62.5 | -31.7 | 0 | 0 | 0 | 112.3 | C119 L122 A136 N140 K141 L147 A148 P161 | C119-Y144 HydrophobicContact CB-CD1 4.38Å; C119-Y144 HydrophobicContact CB-CE1 4.01Å; L122-Y144 HydrophobicContact CB-CE1 4.31Å; L122-Y144 WeakPolarHBondContact CB-OH 3.44Å; L122-Y144 HydrophobicContact CD1-CE1 4.11Å; A136-Y144 WeakPolarHBondContact O-CE2 3.4Å; N140-Y144 HydrophobicContact CB-CD2 3.96Å; N140-Y144 HydrophobicContact CB-CE1 4.21Å; N140-Y144 HydrophobicContact CB-CE2 3.58Å; N140-Y144 HydrophobicContact CB-CG 4.45Å; N140-Y144 PolarHBondContact O-N 2.59Å; K141-Y144 PolarHBondContact O-N 2.91Å; Y144-L147 PolarHBondContact O-N 2.78Å; Y144-A148 WeakPolarHBondContact O-CB 3.45Å; Y144-A148 PolarHBondContact O-N 2.98Å; Y144-P161 HydrophobicContact CD1-CG 3.85Å; Y144-P161 HydrophobicContact CD2-CB 4.49Å; Y144-P161 HydrophobicContact CD2-CG 3.46Å; Y144-P161 VanDerWaalsContact CD2-CG 3.46Å; Y144-P161 HydrophobicContact CE1-CG 3.75Å; Y144-P161 HydrophobicContact CE2-CB 3.92Å; Y144-P161 HydrophobicContact CE2-CG 3.31Å; Y144-P161 HydrophobicContact CG-CG 3.72Å; Y144-P161 VanDerWaalsContact CZ-CG 3.48Å |
| 145 | E | 97.5 | Very high | 97.6 | Very high | 109 Ų | 109 | 38.7 Ų | 38.7 | 51% | 0.509 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 173.8 | -74 | 177.7 | 168.3 | 0 | 0 | 111.8 | K141 S149 | K141-E145 WeakPolarHBondContact CE-OE1 3.21Å; K141-E145 HydrophobicContact CG-CG 4.28Å; K141-E145 IonicContact NZ-OE1 2.74Å; K141-E145 WeakPolarHBondContact O-CB 3.41Å; K141-E145 WeakPolarHBondContact O-CG 3.35Å; K141-E145 PolarHBondContact O-N 3.22Å; E145-S149 VanDerWaalsContact O-CB 3.26Å; E145-S149 WeakPolarHBondContact O-CB 3.45Å; E145-S149 PolarHBondContact O-N 2.92Å; E145-S149 PolarHBondContact O-OG 3.37Å |
| 146 | F | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -52.1 | 172.4 | 164.9 | -102.1 | 0 | 0 | 0 | 111.7 | L100 L101 I104 E142 V143 A148 S149 A150 V550 V552 L559 | L100-F146 HydrophobicContact CB-CE1 4.34Å; L100-F146 HydrophobicContact CB-CZ 4.1Å; L101-F146 HydrophobicContact CD2-CE2 4.31Å; L101-F146 HydrophobicContact CD2-CZ 4.09Å; L101-F146 HydrophobicContact CG-CZ 4.08Å; I104-F146 HydrophobicContact CD1-CE2 3.84Å; I104-F146 HydrophobicContact CD1-CZ 4.08Å; E142-F146 WeakPolarHBondContact O-CB 3.12Å; E142-F146 PolarHBondContact O-N 3.49Å; V143-F146 PolarHBondContact O-N 3.18Å; F146-A148 PolarHBondContact O-N 3Å; F146-S149 PolarHBondContact O-N 3.37Å; F146-S149 PolarHBondContact O-OG 3.46Å; F146-S149 VanDerWaalsContact O-OG 3.11Å; F146-A150 HydrophobicContact CE2-CB 4.41Å; F146-A150 WeakPolarHBondContact O-CB 3.5Å; F146-A150 PolarHBondContact O-N 2.91Å; F146-V550 HydrophobicContact CD2-CG1 3.82Å; F146-V550 HydrophobicContact CE2-CG1 3.74Å; F146-V552 HydrophobicContact CD2-CG2 4.03Å; F146-V552 HydrophobicContact CE2-CG2 3.95Å; F146-L559 HydrophobicContact CB-CD1 3.44Å; F146-L559 VanDerWaalsContact CB-CD1 3.44Å; F146-L559 HydrophobicContact CB-CD2 4.47Å; F146-L559 HydrophobicContact CD1-CD1 4.24Å; F146-L559 HydrophobicContact CD1-CD2 3.74Å; F146-L559 HydrophobicContact CD2-CD1 4.23Å; F146-L559 HydrophobicContact CE1-CD2 4.17Å; F146-L559 HydrophobicContact CG-CD1 3.7Å; F146-L559 HydrophobicContact CG-CD2 4.03Å |
| 147 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | -178.6 | -67.7 | 176.4 | 0 | 0 | 0 | 111.5 | D93 A96 Q97 L100 V117 V143 Y144 S151 F158 | D93-L147 HydrophobicContact CB-CD1 3.55Å; A96-L147 HydrophobicContact CB-CD2 3.87Å; Q97-L147 HydrophobicContact CG-CD2 4.2Å; L100-L147 HydrophobicContact CD1-CD2 3.86Å; V117-L147 HydrophobicContact CG1-CB 4.31Å; V117-L147 HydrophobicContact CG1-CD1 4.13Å; V117-L147 HydrophobicContact CG1-CD2 4.41Å; V143-L147 HydrophobicContact CG1-CD1 4.06Å; V143-L147 HydrophobicContact CG1-CG 4.36Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.32Å; V143-L147 PolarHBondContact O-N 3.31Å; Y144-L147 PolarHBondContact O-N 2.78Å; L147-S151 WeakPolarHBondContact O-CB 3.38Å; L147-S151 PolarHBondContact O-N 2.89Å; L147-S151 PolarHBondContact O-OG 2.79Å; L147-S151 VanDerWaalsContact O-OG 3.1Å; L147-F158 HydrophobicContact CB-CD2 4.32Å; L147-F158 HydrophobicContact CB-CE2 3.64Å; L147-F158 HydrophobicContact CB-CZ 4.41Å |
| 148 | A | 97.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y144 F146 A152 F158 | Y144-A148 WeakPolarHBondContact O-CB 3.45Å; Y144-A148 PolarHBondContact O-N 2.98Å; F146-A148 PolarHBondContact O-N 3Å; A148-A152 WeakPolarHBondContact O-CB 3.36Å; A148-A152 PolarHBondContact O-N 2.7Å; A148-F158 HydrophobicContact CB-CD1 3.85Å; A148-F158 HydrophobicContact CB-CE1 3.63Å; A148-F158 HydrophobicContact CB-CE2 4.41Å; A148-F158 HydrophobicContact CB-CG 4.33Å; A148-F158 HydrophobicContact CB-CZ 3.94Å |
| 149 | S | 96.9 | Very high | 97.7 | Very high | 31 Ų | 31 | 28.6 Ų | 28.6 | 22% | 0.217 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.5 | -39.3 | 179.7 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | E145 F146 A152 K153 I548 | E145-S149 VanDerWaalsContact O-CB 3.26Å; E145-S149 WeakPolarHBondContact O-CB 3.45Å; E145-S149 PolarHBondContact O-N 2.92Å; E145-S149 PolarHBondContact O-OG 3.37Å; F146-S149 PolarHBondContact O-N 3.37Å; F146-S149 PolarHBondContact O-OG 3.46Å; F146-S149 VanDerWaalsContact O-OG 3.11Å; S149-A152 PolarHBondContact O-N 3.47Å; S149-K153 WeakPolarHBondContact O-CB 3.21Å; S149-K153 PolarHBondContact O-N 3.47Å; S149-I548 WeakPolarHBondContact O-CG2 3.49Å |
| 150 | A | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L100 F146 A152 K153 Y154 V550 | L100-A150 HydrophobicContact CD1-CB 3.81Å; F146-A150 HydrophobicContact CE2-CB 4.41Å; F146-A150 WeakPolarHBondContact O-CB 3.5Å; F146-A150 PolarHBondContact O-N 2.91Å; A150-A152 PolarHBondContact O-N 3.23Å; A150-K153 PolarHBondContact O-N 3.14Å; A150-Y154 HydrophobicContact CB-CD2 4.3Å; A150-Y154 HydrophobicContact CB-CE2 4.48Å; A150-Y154 WeakPolarHBondContact O-CB 3.32Å; A150-Y154 WeakPolarHBondContact O-CD2 3.17Å; A150-Y154 PolarHBondContact O-N 3.49Å; A150-V550 VanDerWaalsContact CA-CG2 3.48Å; A150-V550 HydrophobicContact CB-CG1 4.04Å; A150-V550 HydrophobicContact CB-CG2 4.09Å |
| 151 | S | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.9 | -77.6 | 0 | 0 | 0 | 0 | 112.2 | L147 K153 Y154 G155 I156 | L147-S151 WeakPolarHBondContact O-CB 3.38Å; L147-S151 PolarHBondContact O-N 2.89Å; L147-S151 PolarHBondContact O-OG 2.79Å; L147-S151 VanDerWaalsContact O-OG 3.1Å; S151-K153 VanDerWaalsContact C-N 3.35Å; S151-K153 PolarHBondContact O-N 3.12Å; S151-Y154 PolarHBondContact O-N 3.42Å; S151-G155 PolarHBondContact O-N 3.46Å; S151-G155 VanDerWaalsContact O-N 3.13Å; S151-I156 CarbonylContact C-O 3.49Å; S151-I156 WeakPolarHBondContact CB-O 3.45Å; S151-I156 PolarHBondContact O-N 3.31Å |
| 152 | A | 96.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 5% | 0.05 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A148 S149 A150 V542 I548 | A148-A152 WeakPolarHBondContact O-CB 3.36Å; A148-A152 PolarHBondContact O-N 2.7Å; S149-A152 PolarHBondContact O-N 3.47Å; A150-A152 PolarHBondContact O-N 3.23Å; A152-V542 HydrophobicContact CB-CG2 4.43Å; A152-V542 WeakPolarHBondContact O-CG2 3.34Å; A152-I548 HydrophobicContact CB-CD1 3.53Å |
| 153 | K | 96.5 | Very high | 97.8 | Very high | 63 Ų | 63 | 20.4 Ų | 20.4 | 27% | 0.274 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 179.8 | -178.8 | 166.7 | -176.9 | 150 | 0 | 113.2 | S149 A150 S151 T545 I548 V550 | S149-K153 WeakPolarHBondContact O-CB 3.21Å; S149-K153 PolarHBondContact O-N 3.47Å; A150-K153 PolarHBondContact O-N 3.14Å; S151-K153 VanDerWaalsContact C-N 3.35Å; S151-K153 PolarHBondContact O-N 3.12Å; K153-T545 VanDerWaalsContact O-CG2 3.22Å; K153-T545 WeakPolarHBondContact O-CG2 3.16Å; K153-I548 HydrophobicContact CB-CB 4.36Å; K153-I548 HydrophobicContact CB-CG2 3.8Å; K153-V550 HydrophobicContact CB-CG2 3.81Å; K153-V550 HydrophobicContact CD-CB 4.39Å; K153-V550 HydrophobicContact CD-CG2 3.54Å; K153-V550 HydrophobicContact CG-CG2 4.28Å |
| 154 | Y | 97.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 20.4 Ų | 20.4 | 7% | 0.071 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -98.2 | 4.9 | -168.9 | -63.6 | -62.8 | 0 | 0 | 0 | 113.8 | F103 I104 L108 P109 R110 V111 A150 S151 V550 | F103-Y154 HydrophobicContact CD1-CD1 4.04Å; F103-Y154 HydrophobicContact CD1-CD2 4.35Å; F103-Y154 HydrophobicContact CD1-CE1 4.43Å; F103-Y154 AromaticContact CD1-CG 4Å; F103-Y154 HydrophobicContact CD1-CG 4Å; F103-Y154 AromaticContact CE1-CD1 3.61Å; F103-Y154 HydrophobicContact CE1-CD1 3.61Å; F103-Y154 HydrophobicContact CE1-CE1 4.24Å; F103-Y154 AromaticContact CE1-CG 3.84Å; F103-Y154 HydrophobicContact CE1-CG 3.84Å; I104-Y154 HydrophobicContact CD1-CE2 4.33Å; I104-Y154 HydrophobicContact CG1-CE2 3.58Å; I104-Y154 WeakPolarHBondContact CG1-OH 3.38Å; L108-Y154 WeakPolarHBondContact O-CE1 3.26Å; P109-Y154 WeakPolarHBondContact O-CD1 3.38Å; R110-Y154 CarbonylContact C-O 3.58Å; R110-Y154 VanDerWaalsContact CA-O 3.29Å; R110-Y154 WeakPolarHBondContact CA-O 3.38Å; V111-Y154 PolarHBondContact N-O 2.87Å; A150-Y154 HydrophobicContact CB-CD2 4.3Å; A150-Y154 HydrophobicContact CB-CE2 4.48Å; A150-Y154 WeakPolarHBondContact O-CB 3.32Å; A150-Y154 WeakPolarHBondContact O-CD2 3.17Å; A150-Y154 PolarHBondContact O-N 3.49Å; S151-Y154 PolarHBondContact O-N 3.42Å; Y154-V550 HydrophobicContact CE2-CG2 4.24Å |
| 155 | G | 96.6 | Very high | 97.8 | Very high | 21 Ų | 21 | 19.7 Ų | 19.7 | 22% | 0.216 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S151 | S151-G155 PolarHBondContact O-N 3.46Å; S151-G155 VanDerWaalsContact O-N 3.13Å |
| 156 | I | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | trans | -111 | 136.1 | -176.5 | -51 | 174.7 | 0 | 0 | 0 | 108.4 | M91 L100 V111 S115 V117 S151 M210 | M91-I156 HydrophobicContact CE-CD1 4.26Å; M91-I156 HydrophobicContact CE-CG2 4.31Å; L100-I156 HydrophobicContact CD2-CD1 3.46Å; L100-I156 VanDerWaalsContact CD2-CD1 3.46Å; V111-I156 HydrophobicContact CG1-CD1 3.78Å; V111-I156 HydrophobicContact CG1-CG1 3.68Å; V111-I156 HydrophobicContact CG2-CG1 4.08Å; S115-I156 CarbonylContact O-C 3.45Å; S115-I156 WeakPolarHBondContact O-CA 3.2Å; S115-I156 VanDerWaalsContact O-CG2 3.27Å; S115-I156 WeakPolarHBondContact O-CG2 3.39Å; V117-I156 HydrophobicContact CG2-CG2 4.03Å; S151-I156 CarbonylContact C-O 3.49Å; S151-I156 WeakPolarHBondContact CB-O 3.45Å; S151-I156 PolarHBondContact O-N 3.31Å; I156-M210 HydrophobicContact CD1-SD 4.39Å | ||
| 157 | G | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S115 T116 V117 Y538 | S115-G157 PolarHBondContact O-N 3.03Å; T116-G157 CarbonylContact C-O 3.57Å; T116-G157 VanDerWaalsContact CA-O 3.25Å; T116-G157 WeakPolarHBondContact CA-O 3.4Å; V117-G157 PolarHBondContact N-O 3.4Å; G157-Y538 WeakPolarHBondContact CA-OH 3.18Å |
| 158 | F | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 15 Ų | 15 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.2 | -176.8 | 179.4 | -106.2 | 0 | 0 | 0 | 111.2 | V117 C119 L147 A148 K160 Q539 | V117-F158 HydrophobicContact CB-CD2 4.04Å; V117-F158 HydrophobicContact CG1-CD2 3.91Å; V117-F158 HydrophobicContact CG1-CE2 4.01Å; C119-F158 WeakPolarHBondContact SG-CE2 3.35Å; C119-F158 VanDerWaalsContact SG-CZ 3.51Å; L147-F158 HydrophobicContact CB-CD2 4.32Å; L147-F158 HydrophobicContact CB-CE2 3.64Å; L147-F158 HydrophobicContact CB-CZ 4.41Å; A148-F158 HydrophobicContact CB-CD1 3.85Å; A148-F158 HydrophobicContact CB-CE1 3.63Å; A148-F158 HydrophobicContact CB-CE2 4.41Å; A148-F158 HydrophobicContact CB-CG 4.33Å; A148-F158 HydrophobicContact CB-CZ 3.94Å; F158-K160 HydrophobicContact CD1-CG 4.07Å; F158-K160 HydrophobicContact CE1-CB 4.46Å; F158-K160 HydrophobicContact CE1-CG 3.84Å; F158-Q539 HydrophobicContact CB-CB 4.16Å; F158-Q539 HydrophobicContact CD1-CB 4.18Å; F158-Q539 PolarHBondContact N-O 2.88Å; F158-Q539 PolarHBondContact O-N 3.19Å |
| 159 | W | 98.8 | Very high | 98 | Very high | 21 Ų | 21 | 14.2 Ų | 14.2 | 8% | 0.08 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 114.4 | 172.2 | -71.6 | 92.7 | 0 | 0 | 0 | 109.7 | F31 V117 H118 C119 I169 Y174 Y538 | F31-W159 HydrophobicContact CE1-CZ2 4.39Å; F31-W159 HydrophobicContact CE2-CH2 4.23Å; F31-W159 AromaticContact CE2-CZ2 3.71Å; F31-W159 HydrophobicContact CE2-CZ2 3.71Å; F31-W159 AromaticContact CZ-CH2 3.66Å; F31-W159 HydrophobicContact CZ-CH2 3.66Å; F31-W159 AromaticContact CZ-CZ2 3.51Å; F31-W159 HydrophobicContact CZ-CZ2 3.51Å; V117-W159 PolarHBondContact O-N 3.29Å; H118-W159 AromaticContact CE1-CD1 3.35Å; H118-W159 AromaticContact CE1-NE1 3.68Å; H118-W159 AromaticContact ND1-CD1 3.44Å; H118-W159 AromaticContact ND1-CG 3.74Å; C119-W159 PolarHBondContact N-O 3.12Å; W159-I169 HydrophobicContact CB-CD1 4.37Å; W159-I169 HydrophobicContact CD2-CD1 4.04Å; W159-I169 HydrophobicContact CD2-CG2 3.9Å; W159-I169 VanDerWaalsContact CE2-CG2 3.44Å; W159-I169 HydrophobicContact CE3-CD1 4.1Å; W159-I169 HydrophobicContact CE3-CG2 4.42Å; W159-I169 HydrophobicContact CG-CD1 4.2Å; W159-I169 HydrophobicContact CG-CG2 4.38Å; W159-I169 HydrophobicContact CH2-CG2 4.07Å; W159-I169 HydrophobicContact CZ2-CG2 3.54Å; W159-I169 HydrophobicContact CZ3-CG2 4.49Å; W159-Y174 HydrophobicContact CZ2-CE2 4.13Å; W159-Y174 WeakPolarHBondContact CZ2-OH 3.25Å; W159-Y174 AromaticContact NE1-CE2 3.44Å; W159-Y174 AromaticContact NE1-CZ 3.55Å; W159-Y174 PolarHBondContact NE1-OH 2.83Å; W159-Y538 AromaticContact CD1-CD2 3.95Å; W159-Y538 AromaticContact CD2-CD2 3.83Å; W159-Y538 HydrophobicContact CD2-CD2 3.83Å; W159-Y538 AromaticContact CE2-CD2 3.54Å; W159-Y538 HydrophobicContact CE3-CD2 4.42Å; W159-Y538 HydrophobicContact CG-CD2 4.11Å; W159-Y538 AromaticContact CZ2-CD2 3.98Å; W159-Y538 HydrophobicContact CZ2-CD2 3.98Å; W159-Y538 HydrophobicContact CZ2-CG 4.47Å; W159-Y538 AromaticContact NE1-CD2 3.57Å; W159-Y538 AromaticContact NE1-CE2 3.8Å |
| 160 | K | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 13 Ų | 13 | 39% | 0.391 | 7% | 0.068 | S | C | . | . | trans | -65 | 158.9 | -174.9 | -68.9 | 174.9 | -175.5 | 172.5 | 0 | 112.2 | F158 G162 S163 T537 | F158-K160 HydrophobicContact CD1-CG 4.07Å; F158-K160 HydrophobicContact CE1-CB 4.46Å; F158-K160 HydrophobicContact CE1-CG 3.84Å; K160-G162 PolarHBondContact O-N 3.16Å; K160-S163 WeakPolarHBondContact O-CB 3.33Å; K160-S163 PolarHBondContact O-N 3.49Å; K160-S163 PolarHBondContact O-OG 3.32Å; K160-T537 WeakPolarHBondContact CB-O 3.33Å; K160-T537 VanDerWaalsContact CG-O 3.31Å; K160-T537 WeakPolarHBondContact CG-O 3.25Å; K160-T537 PolarHBondContact N-O 3.19Å | ||
| 161 | P | 98.4 | Very high | 98.2 | Very high | 17 Ų | 17 | 13 Ų | 13 | 11% | 0.11 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 132.7 | 173.7 | -25.1 | 33.6 | 0 | 0 | 0 | 111.9 | C119 I123 L133 N137 Y144 | C119-P161 HydrophobicContact CB-CB 4.21Å; C119-P161 HydrophobicContact CB-CG 3.8Å; I123-P161 HydrophobicContact CD1-CB 4.3Å; L133-P161 HydrophobicContact CD1-CB 3.84Å; N137-P161 WeakPolarHBondContact OD1-CB 3.42Å; N137-P161 WeakPolarHBondContact OD1-CG 3.43Å; Y144-P161 HydrophobicContact CD1-CG 3.85Å; Y144-P161 HydrophobicContact CD2-CB 4.49Å; Y144-P161 HydrophobicContact CD2-CG 3.46Å; Y144-P161 VanDerWaalsContact CD2-CG 3.46Å; Y144-P161 HydrophobicContact CE1-CG 3.75Å; Y144-P161 HydrophobicContact CE2-CB 3.92Å; Y144-P161 HydrophobicContact CE2-CG 3.31Å; Y144-P161 HydrophobicContact CG-CG 3.72Å; Y144-P161 VanDerWaalsContact CZ-CG 3.48Å |
| 162 | G | 97.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 13.2 Ų | 13.2 | 5% | 0.052 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -4.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K160 G164 N440 | K160-G162 PolarHBondContact O-N 3.16Å; G162-G164 VanDerWaalsContact C-N 3.26Å; G162-G164 PolarHBondContact O-N 3.15Å; G162-N440 PolarHBondContact O-ND2 3.14Å |
| 163 | S | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -59.7 | -35.7 | 175.2 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | K160 I169 S414 E415 T537 | K160-S163 WeakPolarHBondContact O-CB 3.33Å; K160-S163 PolarHBondContact O-N 3.49Å; K160-S163 PolarHBondContact O-OG 3.32Å; S163-I169 WeakPolarHBondContact OG-CD1 3.43Å; S163-S414 WeakPolarHBondContact O-CA 3.43Å; S163-E415 WeakPolarHBondContact O-CB 3.26Å; S163-E415 PolarHBondContact O-N 3.45Å; S163-T537 WeakPolarHBondContact CA-OG1 3.14Å; S163-T537 VanDerWaalsContact CB-OG1 3.24Å; S163-T537 WeakPolarHBondContact CB-OG1 3.44Å |
| 164 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | B | Isolated β-bridge | trans | 134 | 164 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114 | G162 I169 G413 N440 | G162-G164 VanDerWaalsContact C-N 3.26Å; G162-G164 PolarHBondContact O-N 3.15Å; G164-I169 VanDerWaalsContact O-CD1 3.31Å; G164-I169 WeakPolarHBondContact O-CD1 3.45Å; G164-G413 CarbonylContact C-O 3.54Å; G164-G413 WeakPolarHBondContact CA-O 3.46Å; G164-N440 CarbonylContact C-O 3.58Å; G164-N440 VanDerWaalsContact CA-O 3.26Å; G164-N440 WeakPolarHBondContact CA-O 3.35Å; G164-N440 PolarHBondContact N-O 3.27Å |
| 165 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -74.2 | 136 | 177.8 | -55.2 | 169.9 | 0 | 0 | 0 | 109.2 | D120 H167 Q168 I169 C379 T411 G413 | D120-I165 WeakPolarHBondContact OD2-CA 3.04Å; D120-I165 WeakPolarHBondContact OD2-CG2 3.13Å; I165-H167 VanDerWaalsContact C-N 3.26Å; I165-H167 PolarHBondContact O-N 3.21Å; I165-H167 VanDerWaalsContact O-N 3.07Å; I165-Q168 PolarHBondContact O-N 3.45Å; I165-I169 PolarHBondContact O-N 3.02Å; I165-I169 VanDerWaalsContact O-N 3.1Å; I165-C379 HydrophobicContact CB-CB 4.49Å; I165-C379 HydrophobicContact CG2-CB 3.69Å; I165-T411 HydrophobicContact CD1-CG2 4.15Å; I165-G413 PolarHBondContact N-O 3.05Å | ||
| 166 | I | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 8.8 Ų | 8.8 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -42 | -50 | -173.9 | 178.2 | 168.4 | 0 | 0 | 0 | 113.2 | A90 Q92 H118 D120 I169 V170 | A90-I166 HydrophobicContact CB-CD1 3.98Å; A90-I166 HydrophobicContact CB-CG1 4.37Å; Q92-I166 HydrophobicContact CB-CB 4.33Å; Q92-I166 HydrophobicContact CB-CD1 4.04Å; Q92-I166 HydrophobicContact CB-CG2 4.18Å; Q92-I166 HydrophobicContact CG-CD1 4.44Å; H118-I166 HydrophobicContact CB-CB 3.89Å; H118-I166 HydrophobicContact CB-CG1 4.31Å; D120-I166 WeakPolarHBondContact OD2-CG2 3.46Å; D120-I166 PolarHBondContact OD2-N 3.38Å; I166-I169 PolarHBondContact O-N 3Å; I166-V170 HydrophobicContact CG1-CG2 4.25Å; I166-V170 WeakPolarHBondContact O-CB 3.47Å; I166-V170 WeakPolarHBondContact O-CG2 3.44Å; I166-V170 PolarHBondContact O-N 3.34Å |
| 167 | H | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 8.7 Ų | 8.7 | 3% | 0.028 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68.9 | -38.4 | -174 | -56.7 | -46.5 | 0 | 0 | 0 | 113 | I165 V170 L171 D185 H187 T188 N190 C379 | I165-H167 VanDerWaalsContact C-N 3.26Å; I165-H167 PolarHBondContact O-N 3.21Å; I165-H167 VanDerWaalsContact O-N 3.07Å; H167-V170 PolarHBondContact O-N 2.85Å; H167-L171 WeakPolarHBondContact O-CB 3.36Å; H167-L171 PolarHBondContact O-N 3.36Å; H167-D185 IonicContact CD2-OD1 2.82Å; H167-D185 IonicContact CE1-OD1 3.84Å; H167-D185 PolarHBondContact CE1-OD1 2.76Å; H167-D185 IonicContact NE2-OD1 3.84Å; H167-D185 PolarHBondContact NE2-OD1 3.43Å; H167-H187 PolarHBondContact ND1-O 3Å; H167-H187 VanDerWaalsContact NE2-CB 3.34Å; H167-H187 WeakPolarHBondContact NE2-CB 3.46Å; H167-T188 VanDerWaalsContact CE1-CA 3.45Å; H167-T188 WeakPolarHBondContact CE1-CA 3.36Å; H167-T188 PolarHBondContact CE1-N 3.19Å; H167-N190 HydrophobicContact CB-CB 3.92Å; H167-N190 PolarHBondContact O-OD1 2.79Å; H167-C379 HydrophobicContact CB-CB 3.93Å |
| 168 | Q | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 8.6 Ų | 8.6 | 3% | 0.028 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66.1 | -47.1 | 176.7 | -172.6 | 69.6 | 26.8 | 0 | 0 | 110 | I165 V170 L171 E172 G413 I417 | I165-Q168 PolarHBondContact O-N 3.45Å; Q168-V170 VanDerWaalsContact C-N 3.29Å; Q168-V170 PolarHBondContact O-N 3.25Å; Q168-L171 PolarHBondContact O-N 2.95Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.5Å; Q168-E172 PolarHBondContact NE2-OE1 3.1Å; Q168-E172 WeakPolarHBondContact O-CB 3.33Å; Q168-E172 VanDerWaalsContact O-CG 3.26Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 3.17Å; Q168-G413 WeakPolarHBondContact CB-O 3.48Å; Q168-I417 HydrophobicContact CG-CG1 4.49Å |
| 169 | I | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.5 | -63.4 | 178.5 | 0 | 0 | 0 | 110.5 | W159 S163 G164 I165 I166 E172 N173 Y174 | W159-I169 HydrophobicContact CB-CD1 4.37Å; W159-I169 HydrophobicContact CD2-CD1 4.04Å; W159-I169 HydrophobicContact CD2-CG2 3.9Å; W159-I169 VanDerWaalsContact CE2-CG2 3.44Å; W159-I169 HydrophobicContact CE3-CD1 4.1Å; W159-I169 HydrophobicContact CE3-CG2 4.42Å; W159-I169 HydrophobicContact CG-CD1 4.2Å; W159-I169 HydrophobicContact CG-CG2 4.38Å; W159-I169 HydrophobicContact CH2-CG2 4.07Å; W159-I169 HydrophobicContact CZ2-CG2 3.54Å; W159-I169 HydrophobicContact CZ3-CG2 4.49Å; S163-I169 WeakPolarHBondContact OG-CD1 3.43Å; G164-I169 VanDerWaalsContact O-CD1 3.31Å; G164-I169 WeakPolarHBondContact O-CD1 3.45Å; I165-I169 PolarHBondContact O-N 3.02Å; I165-I169 VanDerWaalsContact O-N 3.1Å; I166-I169 PolarHBondContact O-N 3Å; I169-E172 PolarHBondContact O-N 2.48Å; I169-N173 WeakPolarHBondContact O-CB 3.46Å; I169-N173 PolarHBondContact O-N 3.3Å; I169-N173 PolarHBondContact O-ND2 3.42Å; I169-Y174 HydrophobicContact CG2-CD2 4.38Å; I169-Y174 HydrophobicContact CG2-CE2 3.88Å |
| 170 | V | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 7.3 Ų | 7.3 | 3% | 0.03 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 175.7 | 166 | 0 | 0 | 0 | 0 | 111.3 | A90 I166 H167 Q168 E172 N173 Y174 A175 I181 | A90-V170 HydrophobicContact CB-CG2 4.01Å; I166-V170 HydrophobicContact CG1-CG2 4.25Å; I166-V170 WeakPolarHBondContact O-CB 3.47Å; I166-V170 WeakPolarHBondContact O-CG2 3.44Å; I166-V170 PolarHBondContact O-N 3.34Å; H167-V170 PolarHBondContact O-N 2.85Å; Q168-V170 VanDerWaalsContact C-N 3.29Å; Q168-V170 PolarHBondContact O-N 3.25Å; V170-E172 VanDerWaalsContact C-N 3.33Å; V170-E172 PolarHBondContact O-N 2.96Å; V170-N173 PolarHBondContact O-N 3.24Å; V170-Y174 HydrophobicContact CG2-CD2 4.13Å; V170-Y174 CarbonylContact O-C 3.52Å; V170-Y174 WeakPolarHBondContact O-CA 3.34Å; V170-Y174 PolarHBondContact O-N 2.82Å; V170-A175 HydrophobicContact CG1-CB 4.2Å; V170-A175 PolarHBondContact O-N 2.96Å; V170-I181 HydrophobicContact CG1-CD1 4.39Å |
| 171 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 3.1 Ų | 3.1 | 1% | 0.005 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 177.8 | -168.4 | 69.4 | 0 | 0 | 0 | 111.7 | H167 Q168 N173 L194 T271 A274 Y299 R305 | H167-L171 WeakPolarHBondContact O-CB 3.36Å; H167-L171 PolarHBondContact O-N 3.36Å; Q168-L171 PolarHBondContact O-N 2.95Å; L171-N173 PolarHBondContact O-N 3.24Å; L171-L194 HydrophobicContact CD1-CB 3.81Å; L171-L194 HydrophobicContact CD1-CD2 4.4Å; L171-T271 HydrophobicContact CD2-CG2 4.17Å; L171-A274 HydrophobicContact CD1-CB 4.07Å; L171-A274 HydrophobicContact CD2-CB 3.57Å; L171-A274 HydrophobicContact CG-CB 4.48Å; L171-Y299 HydrophobicContact CG-CE1 4.05Å; L171-R305 PolarHBondContact O-NH1 3.36Å; L171-R305 PolarHBondContact O-NH2 2.82Å |
| 172 | E | 98.4 | Very high | 98.6 | Very high | 4 Ų | 4 | 2.3 Ų | 2.3 | 2% | 0.019 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -68.7 | -30.1 | -177.7 | -74.2 | 168.7 | 179.3 | 0 | 0 | 113.6 | Q168 I169 V170 Y299 R305 S414 I417 | Q168-E172 WeakPolarHBondContact CG-OE1 3.5Å; Q168-E172 PolarHBondContact NE2-OE1 3.1Å; Q168-E172 WeakPolarHBondContact O-CB 3.33Å; Q168-E172 VanDerWaalsContact O-CG 3.26Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 3.17Å; I169-E172 PolarHBondContact O-N 2.48Å; V170-E172 VanDerWaalsContact C-N 3.33Å; V170-E172 PolarHBondContact O-N 2.96Å; E172-Y299 VanDerWaalsContact CG-OH 3.31Å; E172-Y299 WeakPolarHBondContact CG-OH 3.42Å; E172-R305 PolarHBondContact O-NE 3.29Å; E172-R305 PolarHBondContact O-NH2 2.94Å; E172-S414 VanDerWaalsContact CD-OG 3.29Å; E172-S414 PolarHBondContact OE1-OG 3.07Å; E172-S414 VanDerWaalsContact OE2-CB 3.26Å; E172-S414 WeakPolarHBondContact OE2-CB 3.41Å; E172-S414 PolarHBondContact OE2-OG 3.32Å; E172-I417 WeakPolarHBondContact OE1-CG1 3.46Å |
| 173 | N | 98.4 | Very high | 98.7 | Very high | 13 Ų | 13 | 2 Ų | 2 | 7% | 0.07 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -129 | -26.6 | -166.6 | -61 | -86.5 | 0 | 0 | 0 | 115.7 | S29 K30 F31 I169 V170 L171 | S29-N173 VanDerWaalsContact CB-O 3.23Å; S29-N173 WeakPolarHBondContact CB-O 3.39Å; K30-N173 WeakPolarHBondContact CE-OD1 3.22Å; K30-N173 PolarHBondContact NZ-OD1 3.08Å; F31-N173 HydrophobicContact CE2-CB 3.92Å; I169-N173 WeakPolarHBondContact O-CB 3.46Å; I169-N173 PolarHBondContact O-N 3.3Å; I169-N173 PolarHBondContact O-ND2 3.42Å; V170-N173 PolarHBondContact O-N 3.24Å; L171-N173 PolarHBondContact O-N 3.24Å |
| 174 | Y | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.01 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -27.9 | -160.3 | -60.3 | -53.8 | 0 | 0 | 0 | 115.4 | F31 E32 R88 T116 W159 I169 V170 F176 | F31-Y174 HydrophobicContact CD2-CD1 4.48Å; F31-Y174 AromaticContact CD2-CE1 3.45Å; F31-Y174 HydrophobicContact CD2-CE1 3.45Å; F31-Y174 VanDerWaalsContact CD2-CE1 3.45Å; F31-Y174 AromaticContact CD2-CZ 3.7Å; F31-Y174 WeakPolarHBondContact CD2-OH 3.25Å; F31-Y174 HydrophobicContact CE2-CE1 4.01Å; F31-Y174 AromaticContact CE2-CZ 3.88Å; F31-Y174 HydrophobicContact CG-CE1 4.35Å; E32-Y174 WeakPolarHBondContact OE1-CE1 3.5Å; R88-Y174 VanDerWaalsContact CZ-CG 3.45Å; T116-Y174 HydrophobicContact CG2-CE1 4.34Å; T116-Y174 HydrophobicContact CG2-CE2 4.06Å; W159-Y174 HydrophobicContact CZ2-CE2 4.13Å; W159-Y174 WeakPolarHBondContact CZ2-OH 3.25Å; W159-Y174 AromaticContact NE1-CE2 3.44Å; W159-Y174 AromaticContact NE1-CZ 3.55Å; W159-Y174 PolarHBondContact NE1-OH 2.83Å; I169-Y174 HydrophobicContact CG2-CD2 4.38Å; I169-Y174 HydrophobicContact CG2-CE2 3.88Å; V170-Y174 HydrophobicContact CG2-CD2 4.13Å; V170-Y174 CarbonylContact O-C 3.52Å; V170-Y174 WeakPolarHBondContact O-CA 3.34Å; V170-Y174 PolarHBondContact O-N 2.82Å; Y174-F176 WeakPolarHBondContact O-CD1 3.23Å |
| 175 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.012 | C | C | . | . | trans | -71.4 | 145.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | V170 I181 L194 R305 | V170-A175 HydrophobicContact CG1-CB 4.2Å; V170-A175 PolarHBondContact O-N 2.96Å; A175-I181 HydrophobicContact CB-CD1 4.35Å; A175-L194 HydrophobicContact CB-CB 4.26Å; A175-L194 HydrophobicContact CB-CD2 4.05Å; A175-L194 VanDerWaalsContact O-CD2 3.25Å; A175-L194 WeakPolarHBondContact O-CD2 3.5Å; A175-R305 PolarHBondContact O-NH1 3.48Å | ||
| 176 | F | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 0% | 0.004 | 2% | 0.015 | C | C | . | . | trans | -154.2 | 159.7 | 175.5 | 62.3 | -91.4 | 0 | 0 | 0 | 110.9 | L28 L36 D87 Y174 G178 A179 L194 M308 | L28-F176 HydrophobicContact CD2-CD1 4.47Å; L28-F176 HydrophobicContact CD2-CE1 3.69Å; L28-F176 HydrophobicContact CD2-CE2 4.4Å; L28-F176 HydrophobicContact CD2-CZ 3.65Å; L36-F176 HydrophobicContact CD1-CD2 4Å; L36-F176 HydrophobicContact CD1-CE2 3.48Å; L36-F176 VanDerWaalsContact CD1-CE2 3.48Å; L36-F176 HydrophobicContact CD1-CZ 4.16Å; L36-F176 HydrophobicContact CD2-CD2 4.23Å; D87-F176 HydrophobicContact CB-CZ 4.32Å; Y174-F176 WeakPolarHBondContact O-CD1 3.23Å; F176-G178 PolarHBondContact O-N 3.28Å; F176-A179 HydrophobicContact CD1-CB 3.7Å; F176-A179 HydrophobicContact CD2-CB 3.78Å; F176-A179 HydrophobicContact CE1-CB 3.44Å; F176-A179 VanDerWaalsContact CE1-CB 3.44Å; F176-A179 VanDerWaalsContact CE2-CA 3.47Å; F176-A179 HydrophobicContact CE2-CB 3.53Å; F176-A179 HydrophobicContact CG-CB 3.84Å; F176-A179 HydrophobicContact CZ-CB 3.34Å; F176-A179 VanDerWaalsContact O-CB 3.26Å; F176-A179 WeakPolarHBondContact O-CB 3.39Å; F176-A179 PolarHBondContact O-N 3.44Å; F176-A179 VanDerWaalsContact O-N 3.12Å; F176-L194 CarbonylContact C-O 3.28Å; F176-L194 VanDerWaalsContact C-O 3.3Å; F176-M308 HydrophobicContact CB-CE 3.88Å; F176-M308 HydrophobicContact CB-CG 4.26Å; F176-M308 HydrophobicContact CB-SD 3.28Å; F176-M308 WeakPolarHBondContact CB-SD 3.44Å; F176-M308 HydrophobicContact CD1-CE 4.42Å; F176-M308 HydrophobicContact CG-CE 4.23Å; F176-M308 HydrophobicContact CG-SD 4.23Å | ||
| 177 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 126.6 | 179.3 | -26.1 | 36 | 0 | 0 | 0 | 111.9 | Y38 A179 L194 F292 L300 A312 L320 | Y38-P177 VanDerWaalsContact CE1-O 3.31Å; Y38-P177 WeakPolarHBondContact CE1-O 3.19Å; Y38-P177 PolarHBondContact OH-O 2.77Å; P177-A179 VanDerWaalsContact C-N 3.31Å; P177-A179 PolarHBondContact O-N 3.15Å; P177-L194 WeakPolarHBondContact CA-O 3.4Å; P177-L194 VanDerWaalsContact N-O 3.15Å; P177-F292 HydrophobicContact CB-CB 4.24Å; P177-F292 HydrophobicContact CB-CD2 3.76Å; P177-F292 HydrophobicContact CB-CE2 4.39Å; P177-F292 HydrophobicContact CB-CG 4.09Å; P177-F292 HydrophobicContact CG-CD2 3.29Å; P177-F292 HydrophobicContact CG-CE2 3.55Å; P177-F292 HydrophobicContact CG-CG 4.1Å; P177-L300 HydrophobicContact CG-CD1 4.24Å; P177-A312 HydrophobicContact CB-CB 4.13Å; P177-A312 HydrophobicContact CG-CB 4.01Å; P177-L320 HydrophobicContact CB-CD1 3.79Å; P177-L320 HydrophobicContact CB-CD2 3.99Å; P177-L320 HydrophobicContact CB-CG 4.42Å |
| 178 | G | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 3.1 Ų | 3.1 | 1% | 0.01 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 5.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | H66 F176 G195 | H66-G178 PolarHBondContact CE1-O 3.47Å; H66-G178 VanDerWaalsContact CE1-O 3.25Å; F176-G178 PolarHBondContact O-N 3.28Å; G178-G195 PolarHBondContact N-O 2.79Å |
| 179 | A | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.016 | C | C | . | . | trans | -63 | 146.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | F176 P177 I181 G196 L197 | F176-A179 HydrophobicContact CD1-CB 3.7Å; F176-A179 HydrophobicContact CD2-CB 3.78Å; F176-A179 HydrophobicContact CE1-CB 3.44Å; F176-A179 VanDerWaalsContact CE1-CB 3.44Å; F176-A179 VanDerWaalsContact CE2-CA 3.47Å; F176-A179 HydrophobicContact CE2-CB 3.53Å; F176-A179 HydrophobicContact CG-CB 3.84Å; F176-A179 HydrophobicContact CZ-CB 3.34Å; F176-A179 VanDerWaalsContact O-CB 3.26Å; F176-A179 WeakPolarHBondContact O-CB 3.39Å; F176-A179 PolarHBondContact O-N 3.44Å; F176-A179 VanDerWaalsContact O-N 3.12Å; P177-A179 VanDerWaalsContact C-N 3.31Å; P177-A179 PolarHBondContact O-N 3.15Å; A179-I181 HydrophobicContact CB-CD1 4.1Å; A179-I181 HydrophobicContact CB-CG1 3.9Å; A179-G196 CarbonylContact O-C 3.54Å; A179-G196 WeakPolarHBondContact O-CA 3.39Å; A179-L197 PolarHBondContact O-N 2.83Å | ||
| 180 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 104.1 | 158.2 | -179.2 | 61.4 | 0 | 0 | 0 | 109.5 | L63 H66 L84 P86 D87 L197 I199 W215 | L63-L180 HydrophobicContact CD2-CD1 4.45Å; H66-L180 HydrophobicContact CB-CB 4.41Å; H66-L180 HydrophobicContact CB-CD2 3.6Å; L84-L180 HydrophobicContact CB-CD2 4.01Å; L84-L180 HydrophobicContact CD1-CD2 4.31Å; P86-L180 CarbonylContact C-O 3.59Å; P86-L180 WeakPolarHBondContact CA-O 3.37Å; P86-L180 HydrophobicContact CB-CD2 4.35Å; P86-L180 HydrophobicContact CB-CG 4.12Å; P86-L180 HydrophobicContact CG-CD2 4.03Å; P86-L180 HydrophobicContact CG-CG 4.21Å; D87-L180 PolarHBondContact N-O 2.86Å; D87-L180 PolarHBondContact OD2-N 3Å; L180-L197 WeakPolarHBondContact CA-O 3.48Å; L180-L197 HydrophobicContact CD1-CB 4.05Å; L180-I199 HydrophobicContact CD1-CD1 4.23Å; L180-W215 HydrophobicContact CD1-CZ3 4.36Å |
| 181 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 1% | 0.005 | 2% | 0.016 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.8 | -179.4 | -56.7 | -177.5 | 0 | 0 | 0 | 108.5 | R88 V170 A175 A179 L197 C198 I199 | R88-I181 HydrophobicContact CG-CB 4.23Å; R88-I181 HydrophobicContact CG-CD1 4.21Å; R88-I181 HydrophobicContact CG-CG1 3.78Å; R88-I181 HydrophobicContact CG-CG2 3.9Å; V170-I181 HydrophobicContact CG1-CD1 4.39Å; A175-I181 HydrophobicContact CB-CD1 4.35Å; A179-I181 HydrophobicContact CB-CD1 4.1Å; A179-I181 HydrophobicContact CB-CG1 3.9Å; I181-L197 PolarHBondContact N-O 2.86Å; I181-C198 HydrophobicContact CB-CB 4.28Å; I181-C198 CarbonylContact O-C 3.56Å; I181-C198 VanDerWaalsContact O-CA 3.28Å; I181-C198 WeakPolarHBondContact O-CA 3.44Å; I181-I199 PolarHBondContact O-N 3.41Å |
| 182 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.016 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142.4 | 164 | 61.5 | 163.3 | 0 | 0 | 0 | 110.3 | P86 R88 V89 A90 I199 V201 V209 W215 | P86-I182 HydrophobicContact CB-CG1 4.22Å; P86-I182 HydrophobicContact CB-CG2 4.21Å; P86-I182 HydrophobicContact CG-CG1 4.35Å; P86-I182 HydrophobicContact CG-CG2 3.87Å; R88-I182 PolarHBondContact O-N 3.24Å; V89-I182 WeakPolarHBondContact CA-O 3.41Å; V89-I182 HydrophobicContact CG2-CD1 4.08Å; V89-I182 HydrophobicContact CG2-CG1 3.93Å; A90-I182 PolarHBondContact N-O 2.87Å; I182-I199 WeakPolarHBondContact CA-O 3.34Å; I182-V201 HydrophobicContact CB-CG1 4.26Å; I182-V201 HydrophobicContact CB-CG2 4.07Å; I182-V201 HydrophobicContact CD1-CG2 4.2Å; I182-V201 HydrophobicContact CG2-CG1 4.25Å; I182-V209 HydrophobicContact CD1-CB 3.9Å; I182-V209 HydrophobicContact CD1-CG2 3.38Å; I182-V209 HydrophobicContact CG1-CG2 4.36Å; I182-W215 HydrophobicContact CG2-CD2 4.05Å; I182-W215 HydrophobicContact CG2-CE3 3.84Å; I182-W215 HydrophobicContact CG2-CH2 3.88Å; I182-W215 HydrophobicContact CG2-CZ2 4.09Å; I182-W215 HydrophobicContact CG2-CZ3 3.76Å |
| 183 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.015 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 141.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A90 D185 T188 I199 G200 V201 | A90-G183 CarbonylContact O-C 3.49Å; A90-G183 WeakPolarHBondContact O-CA 3.31Å; G183-D185 PolarHBondContact O-N 3.4Å; G183-T188 WeakPolarHBondContact CA-OG1 3.34Å; G183-T188 PolarHBondContact O-OG1 2.89Å; G183-I199 PolarHBondContact N-O 2.91Å; G183-G200 CarbonylContact O-C 3.59Å; G183-G200 WeakPolarHBondContact O-CA 3.04Å; G183-V201 PolarHBondContact O-N 3.14Å |
| 184 | T | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.012 | C | C | . | . | S | Bend | trans | -78.3 | 43.1 | 179.9 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | A90 M91 T95 V201 A206 S664 | A90-T184 PolarHBondContact O-N 2.92Å; M91-T184 VanDerWaalsContact CA-OG1 3.27Å; M91-T184 WeakPolarHBondContact CA-OG1 3.43Å; M91-T184 WeakPolarHBondContact CB-OG1 3.21Å; M91-T184 HydrophobicContact CG-CG2 3.86Å; T95-T184 WeakPolarHBondContact CB-O 3.37Å; T95-T184 WeakPolarHBondContact CG2-O 3.49Å; T95-T184 VanDerWaalsContact OG1-CB 3.3Å; T95-T184 WeakPolarHBondContact OG1-CB 3.48Å; T95-T184 PolarHBondContact OG1-O 2.76Å; T95-T184 PolarHBondContact OG1-OG1 3.32Å; T184-V201 WeakPolarHBondContact CA-O 3.42Å; T184-A206 HydrophobicContact CG2-CB 3.51Å; T184-S664 PolarHBondContact O-OG 3.05Å |
| 185 | D | 98.4 | Very high | 98.6 | Very high | 8 Ų | 8 | 2.1 Ų | 2.1 | 4% | 0.043 | 1% | 0.013 | C | C | . | . | S | Bend | trans | -150.9 | 143.1 | -178 | -166.8 | -87.8 | 0 | 0 | 0 | 110.9 | Q92 H121 H167 G183 H187 T188 G200 S664 | Q92-D185 HydrophobicContact CG-CB 4.06Å; Q92-D185 PolarHBondContact NE2-OD2 3.08Å; H121-D185 IonicContact CE1-OD2 2.73Å; H121-D185 IonicContact NE2-OD2 3.66Å; H167-D185 IonicContact CD2-OD1 2.82Å; H167-D185 IonicContact CE1-OD1 3.84Å; H167-D185 PolarHBondContact CE1-OD1 2.76Å; H167-D185 IonicContact NE2-OD1 3.84Å; H167-D185 PolarHBondContact NE2-OD1 3.43Å; G183-D185 PolarHBondContact O-N 3.4Å; D185-H187 VanDerWaalsContact C-N 3.26Å; D185-H187 PolarHBondContact O-N 2.95Å; D185-H187 PolarHBondContact OD1-N 3.32Å; D185-H187 IonicContact OD1-ND1 2.95Å; D185-T188 WeakPolarHBondContact O-CB 3.39Å; D185-T188 PolarHBondContact O-N 3.39Å; D185-T188 PolarHBondContact O-OG1 3.09Å; D185-G200 WeakPolarHBondContact O-CA 3.4Å; D185-S664 WeakPolarHBondContact CA-OG 3.5Å; D185-S664 PolarHBondContact N-OG 2.67Å |
| 186 | S | 96.4 | Very high | 98.6 | Very high | 8 Ų | 8 | 2.1 Ų | 2.1 | 6% | 0.056 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.4 | -177.8 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | T188 P189 A281 S664 | S186-T188 VanDerWaalsContact C-N 3.32Å; S186-P189 WeakPolarHBondContact O-CD 3.5Å; S186-A281 VanDerWaalsContact O-CB 3.29Å; S186-A281 WeakPolarHBondContact O-CB 3.37Å; S186-S664 PolarHBondContact N-OG 3.31Å |
| 187 | H | 98.4 | Very high | 98.6 | Very high | 11 Ų | 11 | 2.1 Ų | 2.1 | 5% | 0.051 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 9.1 | -175.1 | -64.6 | 101 | 0 | 0 | 0 | 113.6 | H167 D185 P189 N190 N278 E282 N467 | H167-H187 PolarHBondContact ND1-O 3Å; H167-H187 VanDerWaalsContact NE2-CB 3.34Å; H167-H187 WeakPolarHBondContact NE2-CB 3.46Å; D185-H187 VanDerWaalsContact C-N 3.26Å; D185-H187 PolarHBondContact O-N 2.95Å; D185-H187 PolarHBondContact OD1-N 3.32Å; D185-H187 IonicContact OD1-ND1 2.95Å; H187-P189 VanDerWaalsContact O-N 3.11Å; H187-N190 VanDerWaalsContact O-CB 3.29Å; H187-N190 WeakPolarHBondContact O-CB 3.3Å; H187-N190 PolarHBondContact O-N 3.25Å; H187-N278 PolarHBondContact CD2-O 3.43Å; H187-N278 PolarHBondContact CD2-OD1 2.93Å; H187-N278 VanDerWaalsContact CD2-OD1 3.22Å; H187-E282 IonicContact CD2-OE2 3.4Å; H187-E282 IonicContact CE1-OE1 3.34Å; H187-E282 PolarHBondContact CE1-OE1 3Å; H187-E282 VanDerWaalsContact NE2-CD 3.26Å; H187-E282 IonicContact NE2-OE1 2.73Å; H187-E282 PolarHBondContact NE2-OE1 2.77Å; H187-E282 IonicContact NE2-OE2 3.51Å; H187-E282 PolarHBondContact NE2-OE2 3.3Å; H187-N467 PolarHBondContact CD2-ND2 3.47Å; H187-N467 PolarHBondContact CE1-ND2 2.95Å; H187-N467 VanDerWaalsContact CE1-ND2 3.29Å; H187-N467 VanDerWaalsContact NE2-CG 3.28Å; H187-N467 PolarHBondContact NE2-ND2 3.4Å |
| 188 | T | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 2.1 Ų | 2.1 | 3% | 0.031 | 1% | 0.013 | C | C | . | . | G | 310 helix | trans | -48.1 | -32.8 | 169.6 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | H167 G183 D185 S186 N190 G191 C198 | H167-T188 VanDerWaalsContact CE1-CA 3.45Å; H167-T188 WeakPolarHBondContact CE1-CA 3.36Å; H167-T188 PolarHBondContact CE1-N 3.19Å; G183-T188 WeakPolarHBondContact CA-OG1 3.34Å; G183-T188 PolarHBondContact O-OG1 2.89Å; D185-T188 WeakPolarHBondContact O-CB 3.39Å; D185-T188 PolarHBondContact O-N 3.39Å; D185-T188 PolarHBondContact O-OG1 3.09Å; S186-T188 VanDerWaalsContact C-N 3.32Å; T188-N190 PolarHBondContact O-N 2.71Å; T188-G191 PolarHBondContact O-N 2.79Å; T188-C198 CarbonylContact C-O 3.44Å; T188-C198 HydrophobicContact CG2-CB 3.91Å; T188-C198 WeakPolarHBondContact O-CB 3.47Å |
| 189 | P | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 2 Ų | 2 | 1% | 0.013 | 1% | 0.012 | C | C | . | . | G | 310 helix | trans | -50.4 | -18 | 171.8 | -33.6 | 40.7 | 0 | 0 | 0 | 116.2 | S186 H187 G191 G192 C198 C277 | S186-P189 WeakPolarHBondContact O-CD 3.5Å; H187-P189 VanDerWaalsContact O-N 3.11Å; P189-G191 PolarHBondContact O-N 3.33Å; P189-G191 VanDerWaalsContact O-N 3.11Å; P189-G192 PolarHBondContact O-N 3.28Å; P189-C198 WeakPolarHBondContact CA-O 3.21Å; P189-C198 WeakPolarHBondContact CD-O 3.48Å; P189-C198 WeakPolarHBondContact CG-O 3.44Å; P189-C277 VanDerWaalsContact CB-O 3.3Å; P189-C277 WeakPolarHBondContact CB-O 3.45Å; P189-C277 WeakPolarHBondContact O-CB 3.3Å |
| 190 | N | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 2.1 Ų | 2.1 | 2% | 0.021 | 1% | 0.013 | C | C | . | . | G | 310 helix | trans | -46.8 | -39.1 | 172.9 | -178 | -109.2 | 0 | 0 | 0 | 113.8 | H167 H187 T188 G192 G193 A274 N278 | H167-N190 HydrophobicContact CB-CB 3.92Å; H167-N190 PolarHBondContact O-OD1 2.79Å; H187-N190 VanDerWaalsContact O-CB 3.29Å; H187-N190 WeakPolarHBondContact O-CB 3.3Å; H187-N190 PolarHBondContact O-N 3.25Å; T188-N190 PolarHBondContact O-N 2.71Å; N190-G192 PolarHBondContact O-N 2.86Å; N190-G192 VanDerWaalsContact O-N 3.09Å; N190-G193 PolarHBondContact O-N 3.38Å; N190-G193 VanDerWaalsContact O-N 3.09Å; N190-A274 VanDerWaalsContact ND2-C 3.32Å; N190-A274 WeakPolarHBondContact ND2-CB 3.21Å; N190-A274 PolarHBondContact ND2-O 3.44Å; N190-A274 WeakPolarHBondContact O-CA 3.41Å; N190-A274 WeakPolarHBondContact O-CB 3.37Å; N190-N278 HydrophobicContact CB-CB 3.91Å |
| 191 | G | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 2.1 Ų | 2.1 | 1% | 0.01 | 1% | 0.013 | C | C | . | . | G | 310 helix | trans | -64.2 | -13.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T188 P189 G193 L194 C198 | T188-G191 PolarHBondContact O-N 2.79Å; P189-G191 PolarHBondContact O-N 3.33Å; P189-G191 VanDerWaalsContact O-N 3.11Å; G191-G193 PolarHBondContact O-N 3.32Å; G191-L194 PolarHBondContact O-N 2.93Å; G191-C198 VanDerWaalsContact C-SG 3.58Å; G191-C198 VanDerWaalsContact CA-SG 3.55Å |
| 192 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | G | 310 helix | trans | -60.7 | -20.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P189 N190 L194 G195 G196 C277 S288 F290 | P189-G192 PolarHBondContact O-N 3.28Å; N190-G192 PolarHBondContact O-N 2.86Å; N190-G192 VanDerWaalsContact O-N 3.09Å; G192-L194 PolarHBondContact O-N 3.24Å; G192-G195 PolarHBondContact O-N 2.84Å; G192-G195 VanDerWaalsContact O-N 3.15Å; G192-G196 WeakPolarHBondContact CA-O 3.49Å; G192-C277 VanDerWaalsContact C-SG 3.55Å; G192-S288 WeakPolarHBondContact CA-O 3.27Å; G192-F290 PolarHBondContact O-N 3.49Å; G192-F290 VanDerWaalsContact O-N 3.17Å |
| 193 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.014 | C | C | . | . | G | 310 helix | trans | -67.1 | -11.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N190 G191 C270 M296 | N190-G193 PolarHBondContact O-N 3.38Å; N190-G193 VanDerWaalsContact O-N 3.09Å; G191-G193 PolarHBondContact O-N 3.32Å; G193-C270 PolarHBondContact O-SG 2.9Å; G193-M296 WeakPolarHBondContact O-CE 3.49Å |
| 194 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.017 | C | C | . | . | G | 310 helix | trans | -116.5 | 25.6 | 173.9 | -159.6 | 62.8 | 0 | 0 | 0 | 111.8 | L171 A175 F176 P177 G191 G192 G196 C270 M296 Y299 L300 | L171-L194 HydrophobicContact CD1-CB 3.81Å; L171-L194 HydrophobicContact CD1-CD2 4.4Å; A175-L194 HydrophobicContact CB-CB 4.26Å; A175-L194 HydrophobicContact CB-CD2 4.05Å; A175-L194 VanDerWaalsContact O-CD2 3.25Å; A175-L194 WeakPolarHBondContact O-CD2 3.5Å; F176-L194 CarbonylContact C-O 3.28Å; F176-L194 VanDerWaalsContact C-O 3.3Å; P177-L194 WeakPolarHBondContact CA-O 3.4Å; P177-L194 VanDerWaalsContact N-O 3.15Å; G191-L194 PolarHBondContact O-N 2.93Å; G192-L194 PolarHBondContact O-N 3.24Å; L194-G196 VanDerWaalsContact C-N 3.33Å; L194-G196 PolarHBondContact O-N 3.31Å; L194-C270 WeakPolarHBondContact CD1-SG 3.43Å; L194-M296 VanDerWaalsContact C-SD 3.51Å; L194-M296 HydrophobicContact CD1-CB 3.79Å; L194-M296 HydrophobicContact CD1-CG 4.08Å; L194-Y299 HydrophobicContact CD1-CD1 4.01Å; L194-Y299 HydrophobicContact CD2-CD1 4.34Å; L194-Y299 HydrophobicContact CD2-CE1 4.49Å; L194-L300 HydrophobicContact CD1-CD2 4.44Å; L194-L300 HydrophobicContact CD1-CG 4.15Å; L194-L300 HydrophobicContact CD2-CD2 4.01Å |
| 195 | G | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 2.7 Ų | 2.7 | 3% | 0.031 | 2% | 0.018 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 11.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G178 G192 F290 | G178-G195 PolarHBondContact N-O 2.79Å; G192-G195 PolarHBondContact O-N 2.84Å; G192-G195 VanDerWaalsContact O-N 3.15Å; G195-F290 WeakPolarHBondContact CA-O 3.28Å |
| 196 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 2% | 0.016 | C | C | . | . | trans | -98.3 | 156.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A179 G192 L194 | A179-G196 CarbonylContact O-C 3.54Å; A179-G196 WeakPolarHBondContact O-CA 3.39Å; G192-G196 WeakPolarHBondContact CA-O 3.49Å; L194-G196 VanDerWaalsContact C-N 3.33Å; L194-G196 PolarHBondContact O-N 3.31Å | ||
| 197 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 108.8 | 165 | -69.9 | -176.6 | 0 | 0 | 0 | 109.9 | A59 V62 L63 A179 L180 I181 I257 T287 I289 | A59-L197 WeakPolarHBondContact O-CD1 3.44Å; V62-L197 HydrophobicContact CB-CD1 3.64Å; V62-L197 HydrophobicContact CB-CG 3.82Å; V62-L197 HydrophobicContact CG1-CB 3.95Å; V62-L197 HydrophobicContact CG1-CD1 3.69Å; V62-L197 HydrophobicContact CG1-CG 3.63Å; L63-L197 HydrophobicContact CB-CD1 4.38Å; L63-L197 HydrophobicContact CD1-CD1 4.45Å; L63-L197 HydrophobicContact CD2-CD1 3.79Å; L63-L197 HydrophobicContact CG-CD1 3.5Å; L63-L197 VanDerWaalsContact CG-CD1 3.5Å; A179-L197 PolarHBondContact O-N 2.83Å; L180-L197 WeakPolarHBondContact CA-O 3.48Å; L180-L197 HydrophobicContact CD1-CB 4.05Å; I181-L197 PolarHBondContact N-O 2.86Å; L197-I257 HydrophobicContact CD1-CD1 4.23Å; L197-I257 HydrophobicContact CD2-CD1 4.13Å; L197-I257 HydrophobicContact CD2-CG2 4.25Å; L197-T287 HydrophobicContact CB-CG2 4.48Å; L197-T287 HydrophobicContact CD2-CG2 3.67Å; L197-I289 HydrophobicContact CD2-CB 3.9Å; L197-I289 HydrophobicContact CD2-CD1 3.61Å; L197-I289 HydrophobicContact CD2-CG1 4.31Å; L197-I289 HydrophobicContact CD2-CG2 4.1Å; L197-I289 HydrophobicContact CG-CD1 3.93Å |
| 198 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 103.2 | -175.8 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | I181 T188 P189 G191 T287 | I181-C198 HydrophobicContact CB-CB 4.28Å; I181-C198 CarbonylContact O-C 3.56Å; I181-C198 VanDerWaalsContact O-CA 3.28Å; I181-C198 WeakPolarHBondContact O-CA 3.44Å; T188-C198 CarbonylContact C-O 3.44Å; T188-C198 HydrophobicContact CG2-CB 3.91Å; T188-C198 WeakPolarHBondContact O-CB 3.47Å; P189-C198 WeakPolarHBondContact CA-O 3.21Å; P189-C198 WeakPolarHBondContact CD-O 3.48Å; P189-C198 WeakPolarHBondContact CG-O 3.44Å; G191-C198 VanDerWaalsContact C-SG 3.58Å; G191-C198 VanDerWaalsContact CA-SG 3.55Å; C198-T287 PolarHBondContact O-OG1 2.85Å |
| 199 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128 | -166.8 | -62 | 168.7 | 0 | 0 | 0 | 111.2 | L63 L180 I181 I182 G183 V201 W215 L217 T286 T287 | L63-I199 HydrophobicContact CD2-CD1 4.49Å; L180-I199 HydrophobicContact CD1-CD1 4.23Å; I181-I199 PolarHBondContact O-N 3.41Å; I182-I199 WeakPolarHBondContact CA-O 3.34Å; G183-I199 PolarHBondContact N-O 2.91Å; I199-V201 HydrophobicContact CG2-CG1 4.35Å; I199-W215 HydrophobicContact CB-CH2 3.9Å; I199-W215 HydrophobicContact CD1-CH2 3.64Å; I199-W215 HydrophobicContact CD1-CZ3 4.05Å; I199-W215 HydrophobicContact CG1-CH2 4.35Å; I199-W215 HydrophobicContact CG2-CH2 3.71Å; I199-W215 HydrophobicContact CG2-CZ2 4.03Å; I199-L217 HydrophobicContact CD1-CD2 3.77Å; I199-T286 HydrophobicContact CD1-CG2 4.1Å; I199-T286 HydrophobicContact CG1-CG2 4.31Å; I199-T286 HydrophobicContact CG2-CG2 4.07Å; I199-T287 HydrophobicContact CD1-CG2 4.19Å; I199-T287 HydrophobicContact CG1-CG2 3.67Å |
| 200 | G | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 2 Ų | 2 | 2% | 0.021 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G183 D185 R687 I688 | G183-G200 CarbonylContact O-C 3.59Å; G183-G200 WeakPolarHBondContact O-CA 3.04Å; D185-G200 WeakPolarHBondContact O-CA 3.4Å; G200-R687 PolarHBondContact O-NH2 3.38Å; G200-I688 WeakPolarHBondContact O-CD1 3.15Å |
| 201 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.019 | C | C | . | . | trans | -138.4 | 169.8 | -177 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | I182 G183 T184 I199 D205 W215 S664 | I182-V201 HydrophobicContact CB-CG1 4.26Å; I182-V201 HydrophobicContact CB-CG2 4.07Å; I182-V201 HydrophobicContact CD1-CG2 4.2Å; I182-V201 HydrophobicContact CG2-CG1 4.25Å; G183-V201 PolarHBondContact O-N 3.14Å; T184-V201 WeakPolarHBondContact CA-O 3.42Å; I199-V201 HydrophobicContact CG2-CG1 4.35Å; V201-D205 HydrophobicContact CB-CB 3.7Å; V201-D205 HydrophobicContact CG1-CB 4.17Å; V201-D205 HydrophobicContact CG2-CB 3.95Å; V201-W215 HydrophobicContact CG1-CZ2 3.65Å; V201-S664 WeakPolarHBondContact O-CB 3.23Å | ||
| 202 | G | 97.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | trans | -80.7 | 169.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A204 D205 A206 N692 | G202-A204 VanDerWaalsContact C-N 3.34Å; G202-A204 PolarHBondContact O-N 3.07Å; G202-D205 PolarHBondContact O-N 2.79Å; G202-A206 PolarHBondContact O-N 3.21Å; G202-N692 WeakPolarHBondContact CA-OD1 3.17Å | ||
| 203 | G | 97 | Very high | 97.6 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D205 A206 V207 E666 | G203-D205 VanDerWaalsContact C-N 3.33Å; G203-D205 PolarHBondContact O-N 3.31Å; G203-A206 WeakPolarHBondContact O-CB 3.28Å; G203-A206 PolarHBondContact O-N 2.86Å; G203-A206 VanDerWaalsContact O-N 3.13Å; G203-V207 WeakPolarHBondContact O-CG2 3.17Å; G203-V207 PolarHBondContact O-N 3.33Å; G203-E666 WeakPolarHBondContact CA-OE1 3.25Å; G203-E666 WeakPolarHBondContact CA-OE2 3.35Å; G203-E666 PolarHBondContact N-OE2 2.8Å |
| 204 | A | 95.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 12 Ų | 12 | 6% | 0.058 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.6 | -36.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G202 V207 D208 E666 K695 | G202-A204 VanDerWaalsContact C-N 3.34Å; G202-A204 PolarHBondContact O-N 3.07Å; A204-V207 PolarHBondContact O-N 2.98Å; A204-D208 PolarHBondContact O-N 2.85Å; A204-D208 VanDerWaalsContact O-N 3.13Å; A204-E666 PolarHBondContact N-OE2 3.02Å; A204-K695 HydrophobicContact CB-CB 3.92Å; A204-K695 HydrophobicContact CB-CD 3.93Å; A204-K695 HydrophobicContact CB-CG 3.91Å |
| 205 | D | 98 | Very high | 97.4 | Very high | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.016 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.8 | -38.9 | 174.3 | -82.3 | 13.1 | 0 | 0 | 0 | 111.2 | V201 G202 G203 V207 D208 V209 W215 T691 K695 | V201-D205 HydrophobicContact CB-CB 3.7Å; V201-D205 HydrophobicContact CG1-CB 4.17Å; V201-D205 HydrophobicContact CG2-CB 3.95Å; G202-D205 PolarHBondContact O-N 2.79Å; G203-D205 VanDerWaalsContact C-N 3.33Å; G203-D205 PolarHBondContact O-N 3.31Å; D205-V207 VanDerWaalsContact C-N 3.28Å; D205-V207 PolarHBondContact O-N 3.12Å; D205-D208 WeakPolarHBondContact O-CB 3.16Å; D205-D208 PolarHBondContact O-N 2.83Å; D205-V209 PolarHBondContact O-N 3.01Å; D205-W215 PolarHBondContact OD2-NE1 3.43Å; D205-T691 WeakPolarHBondContact OD1-CG2 3.28Å; D205-K695 WeakPolarHBondContact OD1-CE 3.22Å; D205-K695 IonicContact OD1-NZ 2.86Å |
| 206 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -38.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | V89 T184 G202 G203 D208 V209 M210 | V89-A206 HydrophobicContact CG1-CB 3.77Å; T184-A206 HydrophobicContact CG2-CB 3.51Å; G202-A206 PolarHBondContact O-N 3.21Å; G203-A206 WeakPolarHBondContact O-CB 3.28Å; G203-A206 PolarHBondContact O-N 2.86Å; G203-A206 VanDerWaalsContact O-N 3.13Å; A206-D208 PolarHBondContact O-N 3.41Å; A206-V209 PolarHBondContact O-N 2.93Å; A206-M210 HydrophobicContact CB-CE 4.44Å; A206-M210 WeakPolarHBondContact O-CB 3.42Å; A206-M210 VanDerWaalsContact O-CG 3.29Å; A206-M210 WeakPolarHBondContact O-CG 3.47Å; A206-M210 PolarHBondContact O-N 2.61Å |
| 207 | V | 97.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.018 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | A99 Q102 F103 G203 A204 D205 V209 M210 A211 M769 | A99-V207 VanDerWaalsContact O-CG2 3.24Å; A99-V207 WeakPolarHBondContact O-CG2 3.27Å; Q102-V207 HydrophobicContact CB-CG2 3.86Å; F103-V207 HydrophobicContact CB-CG2 4.26Å; F103-V207 HydrophobicContact CD2-CG1 4.35Å; G203-V207 WeakPolarHBondContact O-CG2 3.17Å; G203-V207 PolarHBondContact O-N 3.33Å; A204-V207 PolarHBondContact O-N 2.98Å; D205-V207 VanDerWaalsContact C-N 3.28Å; D205-V207 PolarHBondContact O-N 3.12Å; V207-V209 VanDerWaalsContact C-N 3.34Å; V207-V209 PolarHBondContact O-N 2.86Å; V207-M210 HydrophobicContact CG2-CE 3.93Å; V207-M210 PolarHBondContact O-N 3.11Å; V207-A211 WeakPolarHBondContact O-CB 3.35Å; V207-A211 PolarHBondContact O-N 2.85Å; V207-M769 HydrophobicContact CG1-CE 4.02Å; V207-M769 HydrophobicContact CG1-SD 4.43Å |
| 208 | D | 95.7 | Very high | 97.3 | Very high | 12 Ų | 12 | 16.7 Ų | 16.7 | 6% | 0.064 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.3 | -51.6 | 175.2 | -72.5 | -7.8 | 0 | 0 | 0 | 111.3 | A204 D205 A206 A211 N212 L213 K695 | A204-D208 PolarHBondContact O-N 2.85Å; A204-D208 VanDerWaalsContact O-N 3.13Å; D205-D208 WeakPolarHBondContact O-CB 3.16Å; D205-D208 PolarHBondContact O-N 2.83Å; A206-D208 PolarHBondContact O-N 3.41Å; D208-A211 CarbonylContact O-C 3.5Å; D208-A211 WeakPolarHBondContact O-CA 3.46Å; D208-A211 PolarHBondContact O-N 2.88Å; D208-A211 VanDerWaalsContact O-N 3.1Å; D208-N212 PolarHBondContact O-N 2.99Å; D208-L213 HydrophobicContact CB-CB 4.11Å; D208-L213 WeakPolarHBondContact O-CB 3.35Å; D208-L213 PolarHBondContact O-N 3.29Å; D208-K695 IonicContact OD1-NZ 3.98Å; D208-K695 PolarHBondContact OD1-NZ 3.08Å; D208-K695 VanDerWaalsContact OD1-NZ 3.08Å; D208-K695 IonicContact OD2-NZ 3.25Å; D208-K695 PolarHBondContact OD2-NZ 3.18Å |
| 209 | V | 97.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.03 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.5 | -42.6 | -177.4 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | P86 V89 V113 I182 D205 A206 V207 A211 N212 W215 | P86-V209 HydrophobicContact CB-CG1 4.13Å; P86-V209 HydrophobicContact CB-CG2 4.48Å; P86-V209 HydrophobicContact CG-CG1 4.32Å; P86-V209 HydrophobicContact CG-CG2 3.87Å; V89-V209 HydrophobicContact CG2-CB 3.93Å; V89-V209 HydrophobicContact CG2-CG1 3.83Å; V113-V209 HydrophobicContact CG1-CG1 4.18Å; V113-V209 HydrophobicContact CG2-CG1 3.61Å; I182-V209 HydrophobicContact CD1-CB 3.9Å; I182-V209 HydrophobicContact CD1-CG2 3.38Å; I182-V209 HydrophobicContact CG1-CG2 4.36Å; D205-V209 PolarHBondContact O-N 3.01Å; A206-V209 PolarHBondContact O-N 2.93Å; V207-V209 VanDerWaalsContact C-N 3.34Å; V207-V209 PolarHBondContact O-N 2.86Å; V209-A211 PolarHBondContact O-N 2.94Å; V209-N212 PolarHBondContact O-N 3.13Å; V209-W215 HydrophobicContact CG2-CB 3.6Å; V209-W215 HydrophobicContact CG2-CG 4.3Å |
| 210 | M | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.7 | -29.7 | 172.8 | -72.3 | -169.5 | -61.7 | 0 | 0 | 111.8 | V89 M91 F103 V111 A112 I156 A206 V207 N212 | V89-M210 HydrophobicContact CB-CG 4.35Å; V89-M210 HydrophobicContact CG1-CG 4.37Å; V89-M210 HydrophobicContact CG1-SD 4.48Å; V89-M210 HydrophobicContact CG2-CG 4.06Å; M91-M210 HydrophobicContact CE-CE 4.24Å; M91-M210 HydrophobicContact CE-SD 3.66Å; M91-M210 HydrophobicContact SD-CE 4Å; M91-M210 HydrophobicContact SD-SD 4.18Å; F103-M210 HydrophobicContact CB-CE 4.34Å; F103-M210 HydrophobicContact CD2-CB 3.88Å; F103-M210 HydrophobicContact CD2-CE 4.25Å; F103-M210 HydrophobicContact CE2-CB 3.77Å; F103-M210 HydrophobicContact CG-CE 4.46Å; V111-M210 CarbonylContact C-O 3.54Å; V111-M210 WeakPolarHBondContact CA-O 3.26Å; V111-M210 HydrophobicContact CB-CB 4.12Å; V111-M210 HydrophobicContact CB-CG 4.19Å; V111-M210 HydrophobicContact CG1-CB 3.89Å; V111-M210 HydrophobicContact CG1-CG 3.87Å; V111-M210 HydrophobicContact CG1-SD 3.7Å; A112-M210 WeakPolarHBondContact CB-O 3.43Å; A112-M210 PolarHBondContact N-O 3.48Å; I156-M210 HydrophobicContact CD1-SD 4.39Å; A206-M210 HydrophobicContact CB-CE 4.44Å; A206-M210 WeakPolarHBondContact O-CB 3.42Å; A206-M210 VanDerWaalsContact O-CG 3.29Å; A206-M210 WeakPolarHBondContact O-CG 3.47Å; A206-M210 PolarHBondContact O-N 2.61Å; V207-M210 HydrophobicContact CG2-CE 3.93Å; V207-M210 PolarHBondContact O-N 3.11Å; M210-N212 VanDerWaalsContact C-N 3.33Å |
| 211 | A | 95.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 20 Ų | 20 | 12% | 0.124 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 9.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L108 V207 D208 V209 L213 M769 | L108-A211 HydrophobicContact CD1-CB 3.43Å; L108-A211 VanDerWaalsContact CD1-CB 3.43Å; V207-A211 WeakPolarHBondContact O-CB 3.35Å; V207-A211 PolarHBondContact O-N 2.85Å; D208-A211 CarbonylContact O-C 3.5Å; D208-A211 WeakPolarHBondContact O-CA 3.46Å; D208-A211 PolarHBondContact O-N 2.88Å; D208-A211 VanDerWaalsContact O-N 3.1Å; V209-A211 PolarHBondContact O-N 2.94Å; A211-L213 VanDerWaalsContact C-N 3.25Å; A211-L213 HydrophobicContact CB-CG 4.43Å; A211-L213 PolarHBondContact O-N 3.39Å; A211-M769 HydrophobicContact CB-CE 4.32Å; A211-M769 HydrophobicContact CB-SD 4.05Å |
| 212 | N | 95.3 | Very high | 97.2 | Very high | 100 Ų | 100 | 20.2 Ų | 20.2 | 54% | 0.535 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 25.4 | -176.7 | -160.1 | 30.2 | 0 | 0 | 0 | 114.9 | R85 A112 D208 V209 M210 | R85-N212 VanDerWaalsContact NH1-C 3.32Å; R85-N212 PolarHBondContact NH1-O 3.35Å; R85-N212 PolarHBondContact NH1-OD1 3.36Å; A112-N212 HydrophobicContact CB-CB 3.53Å; D208-N212 PolarHBondContact O-N 2.99Å; V209-N212 PolarHBondContact O-N 3.13Å; M210-N212 VanDerWaalsContact C-N 3.33Å |
| 213 | L | 95 | Very high | 97.3 | Very high | 68 Ų | 68 | 20.5 Ų | 20.5 | 36% | 0.356 | 11% | 0.11 | S | C | . | . | P | Polyproline II helix | trans | -89.3 | 146.1 | 170 | -58.4 | 178.4 | 0 | 0 | 0 | 109.8 | D208 A211 W215 M769 | D208-L213 HydrophobicContact CB-CB 4.11Å; D208-L213 WeakPolarHBondContact O-CB 3.35Å; D208-L213 PolarHBondContact O-N 3.29Å; A211-L213 VanDerWaalsContact C-N 3.25Å; A211-L213 HydrophobicContact CB-CG 4.43Å; A211-L213 PolarHBondContact O-N 3.39Å; L213-W215 PolarHBondContact O-N 2.96Å; L213-M769 HydrophobicContact CD1-CE 3.55Å; L213-M769 HydrophobicContact CD1-CG 4.12Å; L213-M769 HydrophobicContact CD1-SD 4.29Å |
| 214 | P | 96.5 | Very high | 97.4 | Very high | 30 Ų | 30 | 20.4 Ų | 20.4 | 20% | 0.195 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 134.5 | 171.2 | -9.3 | 21.6 | 0 | 0 | 0 | 109.8 | D68 M83 L84 | D68-P214 HydrophobicContact CB-CB 4.14Å; D68-P214 HydrophobicContact CB-CG 4.42Å; M83-P214 HydrophobicContact CB-CB 3.99Å; M83-P214 HydrophobicContact CE-CB 3.73Å; M83-P214 HydrophobicContact CE-CG 4.21Å; L84-P214 CarbonylContact O-C 3.51Å; L84-P214 WeakPolarHBondContact O-CA 3.43Å |
| 215 | W | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 135.4 | 176.7 | 170.2 | 60.9 | 0 | 0 | 0 | 110.4 | L84 P86 L180 I182 I199 V201 D205 V209 L213 L217 | L84-W215 HydrophobicContact CB-CE3 4.08Å; L84-W215 HydrophobicContact CD1-CE3 3.87Å; L84-W215 HydrophobicContact CD1-CZ3 3.74Å; L84-W215 PolarHBondContact N-O 3.47Å; L84-W215 PolarHBondContact O-N 3.21Å; P86-W215 HydrophobicContact CG-CB 4.18Å; P86-W215 HydrophobicContact CG-CD2 4.35Å; P86-W215 HydrophobicContact CG-CE3 3.75Å; L180-W215 HydrophobicContact CD1-CZ3 4.36Å; I182-W215 HydrophobicContact CG2-CD2 4.05Å; I182-W215 HydrophobicContact CG2-CE3 3.84Å; I182-W215 HydrophobicContact CG2-CH2 3.88Å; I182-W215 HydrophobicContact CG2-CZ2 4.09Å; I182-W215 HydrophobicContact CG2-CZ3 3.76Å; I199-W215 HydrophobicContact CB-CH2 3.9Å; I199-W215 HydrophobicContact CD1-CH2 3.64Å; I199-W215 HydrophobicContact CD1-CZ3 4.05Å; I199-W215 HydrophobicContact CG1-CH2 4.35Å; I199-W215 HydrophobicContact CG2-CH2 3.71Å; I199-W215 HydrophobicContact CG2-CZ2 4.03Å; V201-W215 HydrophobicContact CG1-CZ2 3.65Å; D205-W215 PolarHBondContact OD2-NE1 3.43Å; V209-W215 HydrophobicContact CG2-CB 3.6Å; V209-W215 HydrophobicContact CG2-CG 4.3Å; L213-W215 PolarHBondContact O-N 2.96Å; W215-L217 HydrophobicContact CH2-CB 3.97Å; W215-L217 HydrophobicContact CH2-CD1 3.92Å; W215-L217 HydrophobicContact CH2-CD2 3.85Å; W215-L217 HydrophobicContact CH2-CG 4.11Å; W215-L217 HydrophobicContact CZ2-CB 4.18Å; W215-L217 HydrophobicContact CZ2-CD1 3.99Å; W215-L217 HydrophobicContact CZ2-CG 4.49Å; W215-L217 HydrophobicContact CZ3-CB 4.15Å; W215-L217 HydrophobicContact CZ3-CD2 4.13Å |
| 216 | E | 97.2 | Very high | 97.6 | Very high | 14 Ų | 14 | 21.2 Ų | 21.2 | 7% | 0.065 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.3 | -175.8 | -168.2 | -175.4 | -178.2 | 0 | 0 | 111.6 | Y81 L82 M83 N753 Q756 | Y81-E216 WeakPolarHBondContact CB-OE1 3.44Å; Y81-E216 HydrophobicContact CD1-CG 3.69Å; Y81-E216 WeakPolarHBondContact CD1-OE1 3.44Å; Y81-E216 HydrophobicContact CG-CG 4.07Å; L82-E216 WeakPolarHBondContact O-CA 3.32Å; M83-E216 HydrophobicContact CE-CB 4.43Å; M83-E216 HydrophobicContact SD-CB 4.01Å; M83-E216 HydrophobicContact SD-CG 3.86Å; E216-N753 VanDerWaalsContact OE1-CG 3.29Å; E216-N753 PolarHBondContact OE1-ND2 3.49Å; E216-Q756 PolarHBondContact OE1-NE2 2.86Å; E216-Q756 VanDerWaalsContact OE1-NE2 3.08Å; E216-Q756 PolarHBondContact OE2-NE2 3.46Å |
| 217 | L | 98 | Very high | 97.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.9 | 175.7 | -179.9 | 66.7 | 0 | 0 | 0 | 110.5 | L63 L82 L84 I199 W215 A219 P220 T286 | L63-L217 HydrophobicContact CD2-CD2 3.88Å; L82-L217 WeakPolarHBondContact CB-O 3.12Å; L82-L217 PolarHBondContact N-O 3.39Å; L82-L217 PolarHBondContact O-N 3.21Å; L84-L217 HydrophobicContact CD1-CB 3.74Å; L84-L217 HydrophobicContact CD1-CD2 3.93Å; L84-L217 HydrophobicContact CD1-CG 4.48Å; I199-L217 HydrophobicContact CD1-CD2 3.77Å; W215-L217 HydrophobicContact CH2-CB 3.97Å; W215-L217 HydrophobicContact CH2-CD1 3.92Å; W215-L217 HydrophobicContact CH2-CD2 3.85Å; W215-L217 HydrophobicContact CH2-CG 4.11Å; W215-L217 HydrophobicContact CZ2-CB 4.18Å; W215-L217 HydrophobicContact CZ2-CD1 3.99Å; W215-L217 HydrophobicContact CZ2-CG 4.49Å; W215-L217 HydrophobicContact CZ3-CB 4.15Å; W215-L217 HydrophobicContact CZ3-CD2 4.13Å; L217-A219 PolarHBondContact O-N 3.47Å; L217-P220 HydrophobicContact CD2-CG 4.1Å; L217-T286 HydrophobicContact CD1-CG2 3.91Å; L217-T286 HydrophobicContact CD2-CG2 4.31Å |
| 218 | K | 96.7 | Very high | 97.7 | Very high | 86 Ų | 86 | 23 Ų | 23 | 37% | 0.374 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 122.6 | 169.4 | -172.9 | 174.1 | 180 | -178.5 | 0 | 108.9 | G78 S80 Y81 P220 | G78-K218 VanDerWaalsContact C-CE 3.43Å; G78-K218 WeakPolarHBondContact O-CE 3.42Å; G78-K218 PolarHBondContact O-NZ 3.16Å; S80-K218 CarbonylContact O-C 3.6Å; S80-K218 WeakPolarHBondContact O-CA 3.4Å; Y81-K218 HydrophobicContact CD1-CB 3.94Å; Y81-K218 HydrophobicContact CE1-CB 3.73Å; Y81-K218 HydrophobicContact CE1-CG 4.44Å; K218-P220 WeakPolarHBondContact O-CD 3.41Å |
| 219 | A | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | trans | -51.9 | 113.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | E76 G78 S80 L82 L217 | E76-A219 WeakPolarHBondContact O-CB 3.31Å; G78-A219 WeakPolarHBondContact CA-O 3.33Å; G78-A219 PolarHBondContact N-O 2.94Å; S80-A219 WeakPolarHBondContact O-CB 3.5Å; S80-A219 PolarHBondContact O-N 2.72Å; S80-A219 VanDerWaalsContact OG-CB 3.26Å; S80-A219 WeakPolarHBondContact OG-CB 3.37Å; L82-A219 HydrophobicContact CD1-CB 4.1Å; L82-A219 HydrophobicContact CD2-CB 4Å; L82-A219 HydrophobicContact CG-CB 3.88Å; L217-A219 PolarHBondContact O-N 3.47Å | ||
| 220 | P | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | trans | -71.8 | 152.2 | -173.1 | -22 | 35.6 | 0 | 0 | 0 | 112.5 | L63 R77 L217 K218 G255 I257 T286 | L63-P220 HydrophobicContact CD1-CG 4.01Å; R77-P220 WeakPolarHBondContact CB-O 3.32Å; R77-P220 WeakPolarHBondContact CG-O 3.38Å; L217-P220 HydrophobicContact CD2-CG 4.1Å; K218-P220 WeakPolarHBondContact O-CD 3.41Å; P220-G255 VanDerWaalsContact CA-O 3.29Å; P220-G255 WeakPolarHBondContact CA-O 3.46Å; P220-I257 HydrophobicContact CB-CD1 4.14Å; P220-I257 HydrophobicContact CB-CG1 3.81Å; P220-I257 HydrophobicContact CG-CD1 3.89Å; P220-I257 HydrophobicContact CG-CG1 3.98Å; P220-T286 HydrophobicContact CG-CG2 4.26Å | ||
| 221 | L | 98.8 | Very high | 97.7 | Very high | 67 Ų | 67 | 31.9 Ų | 31.9 | 35% | 0.351 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 168.1 | 155.1 | -60.9 | 170.5 | 0 | 0 | 0 | 109.4 | R77 G255 A256 I257 D329 | R77-L221 HydrophobicContact CB-CD2 3.98Å; L221-G255 PolarHBondContact N-O 3.28Å; L221-A256 HydrophobicContact CB-CB 3.94Å; L221-A256 CarbonylContact O-C 3.3Å; L221-A256 WeakPolarHBondContact O-CA 3.35Å; L221-I257 PolarHBondContact O-N 3.34Å; L221-D329 WeakPolarHBondContact CA-OD2 3.31Å; L221-D329 HydrophobicContact CB-CB 4.2Å; L221-D329 HydrophobicContact CD2-CB 4.24Å |
| 222 | V | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.2 | 175.9 | -166.5 | 0 | 0 | 0 | 0 | 110.3 | T57 A59 E60 I257 E259 Y328 D329 | T57-V222 HydrophobicContact CG2-CB 4.34Å; T57-V222 HydrophobicContact CG2-CG1 4.19Å; T57-V222 HydrophobicContact CG2-CG2 4.32Å; A59-V222 HydrophobicContact CB-CG1 4.42Å; A59-V222 HydrophobicContact CB-CG2 4.45Å; E60-V222 HydrophobicContact CG-CG2 4.44Å; V222-I257 WeakPolarHBondContact CA-O 3.45Å; V222-E259 HydrophobicContact CG1-CB 3.83Å; V222-Y328 HydrophobicContact CB-CD1 4.3Å; V222-Y328 HydrophobicContact CG1-CD1 3.71Å; V222-Y328 HydrophobicContact CG1-CE1 4.08Å; V222-D329 PolarHBondContact N-OD2 2.82Å; V222-D329 PolarHBondContact O-N 3.4Å |
| 223 | I | 98.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117 | 172.7 | -59.3 | 170.6 | 0 | 0 | 0 | 107.5 | L248 G252 A256 I257 V258 E259 K330 I332 | I223-L248 HydrophobicContact CD1-CD1 4.04Å; I223-L248 HydrophobicContact CD1-CD2 4.34Å; I223-L248 HydrophobicContact CG2-CD1 4.43Å; I223-G252 WeakPolarHBondContact CD1-O 3.26Å; I223-A256 HydrophobicContact CD1-CB 3.76Å; I223-A256 HydrophobicContact CG1-CB 3.82Å; I223-I257 PolarHBondContact N-O 2.8Å; I223-V258 HydrophobicContact CB-CG2 4.49Å; I223-V258 CarbonylContact O-C 3.55Å; I223-V258 WeakPolarHBondContact O-CA 3.33Å; I223-E259 PolarHBondContact O-N 2.87Å; I223-K330 CarbonylContact C-O 3.54Å; I223-K330 WeakPolarHBondContact CA-O 3.47Å; I223-K330 HydrophobicContact CG1-CB 4.26Å; I223-K330 HydrophobicContact CG2-CB 4.34Å; I223-I332 HydrophobicContact CG2-CD1 4.1Å; I223-I332 HydrophobicContact CG2-CG1 4.44Å |
| 224 | G | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E259 K330 I331 I332 | G224-E259 CarbonylContact C-O 3.58Å; G224-E259 WeakPolarHBondContact CA-O 3.44Å; G224-K330 PolarHBondContact N-O 3Å; G224-I331 CarbonylContact O-C 3.53Å; G224-I331 VanDerWaalsContact O-CA 3.32Å; G224-I331 WeakPolarHBondContact O-CA 3.46Å; G224-I332 PolarHBondContact O-N 2.93Å |
| 225 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 105.2 | 169.4 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | L227 V244 V258 E259 Y260 Y261 I332 I334 | V225-L227 HydrophobicContact CG1-CD2 3.78Å; V225-V244 HydrophobicContact CG1-CG2 4.09Å; V225-V244 HydrophobicContact CG2-CG2 4.31Å; V225-V258 HydrophobicContact CG2-CG1 3.53Å; V225-E259 PolarHBondContact N-O 2.86Å; V225-Y260 HydrophobicContact CB-CD1 3.65Å; V225-Y260 HydrophobicContact CB-CE1 3.76Å; V225-Y260 HydrophobicContact CB-CG 4.45Å; V225-Y260 HydrophobicContact CG1-CD1 3.83Å; V225-Y260 HydrophobicContact CG1-CE1 3.79Å; V225-Y260 HydrophobicContact CG2-CD1 4.36Å; V225-Y260 HydrophobicContact CG2-CE1 4.03Å; V225-Y260 WeakPolarHBondContact O-CA 3.49Å; V225-Y261 PolarHBondContact O-N 3.01Å; V225-I332 CarbonylContact C-O 3.52Å; V225-I332 WeakPolarHBondContact CA-O 3.4Å; V225-I332 HydrophobicContact CG2-CB 4.29Å; V225-I334 HydrophobicContact CG1-CD1 4.09Å; V225-I334 HydrophobicContact CG1-CG1 4.4Å |
| 226 | N | 98.8 | Very high | 97.7 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 14% | 0.139 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.9 | 178.1 | -169 | 12.8 | 0 | 0 | 0 | 109.9 | Y261 G262 I332 E333 I334 | N226-Y261 CarbonylContact C-O 3.49Å; N226-Y261 WeakPolarHBondContact CA-O 3.36Å; N226-Y261 HydrophobicContact CB-CD1 4.48Å; N226-Y261 HydrophobicContact CB-CE1 3.82Å; N226-Y261 HydrophobicContact CB-CE2 3.87Å; N226-Y261 VanDerWaalsContact CB-CZ 3.49Å; N226-G262 WeakPolarHBondContact OD1-CA 3.33Å; N226-I332 PolarHBondContact N-O 2.89Å; N226-E333 WeakPolarHBondContact CB-OE1 3.36Å; N226-E333 VanDerWaalsContact CB-OE2 3.27Å; N226-E333 WeakPolarHBondContact CB-OE2 3.42Å; N226-E333 VanDerWaalsContact CG-OE2 3.31Å; N226-E333 VanDerWaalsContact ND2-CD 3.29Å; N226-E333 PolarHBondContact ND2-OE1 3.39Å; N226-E333 PolarHBondContact ND2-OE2 2.94Å; N226-I334 PolarHBondContact O-N 2.73Å |
| 227 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.7 | 177.8 | -56.7 | -176.2 | 0 | 0 | 0 | 109.2 | V225 I240 Y260 Y261 G262 P263 G264 V265 I268 F290 I334 L336 | V225-L227 HydrophobicContact CG1-CD2 3.78Å; L227-I240 HydrophobicContact CD1-CD1 4.45Å; L227-I240 HydrophobicContact CD2-CG2 3.93Å; L227-Y260 HydrophobicContact CD1-CD1 4.02Å; L227-Y260 HydrophobicContact CD2-CD1 4.43Å; L227-Y260 HydrophobicContact CG-CD1 4.31Å; L227-Y261 PolarHBondContact N-O 2.82Å; L227-G262 CarbonylContact O-C 3.45Å; L227-G262 VanDerWaalsContact O-C 3.3Å; L227-P263 WeakPolarHBondContact O-CD 3.37Å; L227-G264 WeakPolarHBondContact O-CA 3.49Å; L227-G264 PolarHBondContact O-N 3Å; L227-V265 HydrophobicContact CD1-CG2 4.22Å; L227-I268 HydrophobicContact CD1-CD1 3.55Å; L227-F290 HydrophobicContact CD1-CE1 3.99Å; L227-F290 HydrophobicContact CD1-CZ 4.29Å; L227-I334 HydrophobicContact CD2-CB 3.98Å; L227-I334 HydrophobicContact CD2-CG2 4.42Å; L227-L336 HydrophobicContact CB-CD1 4.4Å; L227-L336 HydrophobicContact CD2-CD2 4.42Å |
| 228 | T | 98.8 | Very high | 97.8 | Very high | 41 Ų | 41 | 28.1 Ų | 28.1 | 25% | 0.252 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 161.5 | 176.5 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | P263 I334 N335 L336 | T228-P263 HydrophobicContact CG2-CG 4.33Å; T228-I334 PolarHBondContact N-O 3.4Å; T228-I334 PolarHBondContact OG1-O 3.19Å; T228-N335 WeakPolarHBondContact OG1-CA 3.48Å; T228-L336 VanDerWaalsContact O-CB 3.26Å; T228-L336 WeakPolarHBondContact O-CB 3.39Å; T228-L336 WeakPolarHBondContact O-CG 3.43Å; T228-L336 PolarHBondContact O-N 3.09Å |
| 229 | G | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 24 Ų | 24 | 23% | 0.227 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 71.7 | -160.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G264 D337 | G229-G264 WeakPolarHBondContact O-CA 3.19Å; G229-D337 WeakPolarHBondContact CA-OD1 3.29Å; G229-D337 VanDerWaalsContact CA-OD2 3.31Å; G229-D337 WeakPolarHBondContact CA-OD2 3.35Å |
| 230 | K | 97.7 | Very high | 98 | Very high | 146 Ų | 146 | 24 Ų | 24 | 64% | 0.635 | 14% | 0.142 | S | C | * | . | trans | -139.5 | 143.4 | 177.5 | -59.5 | -176.7 | -178.8 | 179.4 | 0 | 111.4 | S232 L336 D337 | K230-S232 PolarHBondContact O-N 2.85Å; K230-L336 CarbonylContact O-C 3.52Å; K230-D337 PolarHBondContact N-OD1 2.9Å | ||
| 231 | L | 95 | Very high | 98 | Very high | 37 Ų | 37 | 23.8 Ų | 23.8 | 19% | 0.194 | 14% | 0.141 | C | C | . | . | trans | -58.4 | 136 | 170.8 | -70.6 | 171.7 | 0 | 0 | 0 | 110.3 | T235 P237 I240 I268 L336 L339 | L231-T235 HydrophobicContact CD2-CG2 3.55Å; L231-P237 HydrophobicContact CD1-CG 4.01Å; L231-I240 HydrophobicContact CD1-CD1 4.17Å; L231-I240 HydrophobicContact CD2-CD1 4.17Å; L231-I240 HydrophobicContact CD2-CG1 4.31Å; L231-I240 HydrophobicContact CG-CD1 4.39Å; L231-I268 HydrophobicContact CD1-CG1 4.21Å; L231-L336 HydrophobicContact CD2-CD2 4.15Å; L231-L336 HydrophobicContact CG-CD1 4.38Å; L231-L339 HydrophobicContact CD2-CD2 4.43Å | ||
| 232 | S | 93.3 | Very high | 98 | Very high | 70 Ų | 70 | 20.6 Ų | 20.6 | 49% | 0.49 | 12% | 0.124 | S | C | . | . | trans | -143.7 | 151.3 | -178.9 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | K230 W234 T235 | K230-S232 PolarHBondContact O-N 2.85Å; S232-W234 PolarHBondContact O-N 3.31Å; S232-T235 PolarHBondContact O-N 3.4Å; S232-T235 VanDerWaalsContact O-N 3.14Å; S232-T235 PolarHBondContact O-OG1 3.42Å | ||
| 233 | G | 95.7 | Very high | 98 | Very high | 38 Ų | 38 | 23 Ų | 23 | 39% | 0.392 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -116.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | R389 | G233-R389 PolarHBondContact O-NH2 3.13Š|
| 234 | W | 97.7 | Very high | 98 | Very high | 17 Ų | 17 | 22.6 Ų | 22.6 | 6% | 0.064 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -20.8 | -178 | -75 | 88.9 | 0 | 0 | 0 | 113.6 | S232 P341 L393 A492 P503 L504 F518 P521 | S232-W234 PolarHBondContact O-N 3.31Å; W234-P341 HydrophobicContact CB-CG 3.42Å; W234-P341 VanDerWaalsContact CB-CG 3.42Å; W234-L393 HydrophobicContact CH2-CD1 3.73Å; W234-L393 HydrophobicContact CH2-CD2 3.63Å; W234-L393 HydrophobicContact CH2-CG 4.36Å; W234-L393 HydrophobicContact CZ2-CD2 4.23Å; W234-L393 HydrophobicContact CZ3-CD1 3.56Å; W234-L393 HydrophobicContact CZ3-CD2 4.23Å; W234-A492 HydrophobicContact CH2-CB 3.92Å; W234-A492 HydrophobicContact CZ3-CB 3.84Å; W234-P503 HydrophobicContact CE3-CG 4.23Å; W234-P503 HydrophobicContact CH2-CB 3.52Å; W234-P503 HydrophobicContact CH2-CG 3.92Å; W234-P503 HydrophobicContact CZ2-CB 3.75Å; W234-P503 HydrophobicContact CZ2-CG 4.3Å; W234-P503 HydrophobicContact CZ3-CB 4.01Å; W234-P503 HydrophobicContact CZ3-CG 3.86Å; W234-L504 HydrophobicContact CB-CD1 4Å; W234-L504 HydrophobicContact CD2-CD1 3.84Å; W234-L504 HydrophobicContact CG-CD1 3.56Å; W234-L504 HydrophobicContact CG-CG 4.1Å; W234-F518 HydrophobicContact CH2-CB 3.78Å; W234-F518 HydrophobicContact CH2-CG 4.27Å; W234-F518 HydrophobicContact CZ2-CB 3.57Å; W234-P521 HydrophobicContact CE3-CG 4.42Å |
| 235 | T | 97.7 | Very high | 98 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 7% | 0.074 | 13% | 0.133 | C | C | . | . | trans | -69.9 | 135.5 | -177.3 | -44.1 | 0 | 0 | 0 | 0 | 109.7 | L231 S232 D239 L339 | L231-T235 HydrophobicContact CD2-CG2 3.55Å; S232-T235 PolarHBondContact O-N 3.4Å; S232-T235 VanDerWaalsContact O-N 3.14Å; S232-T235 PolarHBondContact O-OG1 3.42Å; T235-D239 HydrophobicContact CG2-CB 3.9Å; T235-L339 WeakPolarHBondContact CB-O 3.39Å; T235-L339 HydrophobicContact CG2-CB 3.99Å; T235-L339 HydrophobicContact CG2-CD2 3.78Å; T235-L339 HydrophobicContact CG2-CG 3.68Å; T235-L339 WeakPolarHBondContact CG2-O 3.36Å; T235-L339 PolarHBondContact OG1-O 3.09Å | ||
| 236 | S | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | trans | -126.2 | 167 | -171.6 | 73 | 0 | 0 | 0 | 0 | 110.3 | K238 D239 S486 E488 | S236-K238 PolarHBondContact O-N 3.33Å; S236-K238 VanDerWaalsContact O-N 3.16Å; S236-K238 WeakPolarHBondContact OG-CB 3.22Å; S236-K238 PolarHBondContact OG-N 3.02Å; S236-D239 WeakPolarHBondContact CA-OD2 3.21Å; S236-D239 WeakPolarHBondContact CB-OD2 3.08Å; S236-D239 PolarHBondContact N-OD2 2.84Å; S236-D239 PolarHBondContact O-N 2.97Å; S236-D239 VanDerWaalsContact O-N 3.08Å; S236-D239 PolarHBondContact OG-OD2 3.14Å; S236-S486 WeakPolarHBondContact OG-CB 3.01Å; S236-E488 WeakPolarHBondContact CB-OE1 3.35Å | ||
| 237 | P | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 8% | 0.078 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.2 | -32 | 172.2 | -25.4 | 35 | 0 | 0 | 0 | 112.9 | L231 D239 I240 I268 G272 I276 | L231-P237 HydrophobicContact CD1-CG 4.01Å; P237-D239 VanDerWaalsContact C-N 3.27Å; P237-D239 PolarHBondContact O-N 2.8Å; P237-I240 WeakPolarHBondContact O-CB 3.36Å; P237-I240 PolarHBondContact O-N 2.79Å; P237-I268 HydrophobicContact CB-CG2 4.12Å; P237-I268 HydrophobicContact CG-CG2 4.09Å; P237-G272 VanDerWaalsContact CB-CA 3.43Å; P237-G272 WeakPolarHBondContact CB-O 3.44Å; P237-I276 HydrophobicContact CB-CD1 4.1Å; P237-I276 HydrophobicContact CB-CG1 4.22Å; P237-I276 WeakPolarHBondContact O-CG1 3.34Å |
| 238 | K | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.3 | -38.4 | 177.9 | -177.1 | 55.6 | 163.6 | -66.6 | 0 | 112.1 | S236 I240 I241 L242 T275 M279 T380 N381 S465 Y466 T485 | S236-K238 PolarHBondContact O-N 3.33Å; S236-K238 VanDerWaalsContact O-N 3.16Å; S236-K238 WeakPolarHBondContact OG-CB 3.22Å; S236-K238 PolarHBondContact OG-N 3.02Å; K238-I240 PolarHBondContact O-N 3.49Å; K238-I241 HydrophobicContact CD-CG2 4.08Å; K238-I241 WeakPolarHBondContact O-CG2 3.47Å; K238-I241 PolarHBondContact O-N 2.89Å; K238-L242 HydrophobicContact CD-CD2 4.49Å; K238-L242 HydrophobicContact CD-CG 4.32Å; K238-L242 HydrophobicContact CG-CD1 4.06Å; K238-L242 HydrophobicContact CG-CG 4.22Å; K238-L242 WeakPolarHBondContact O-CG 3.3Å; K238-L242 PolarHBondContact O-N 2.57Å; K238-T275 HydrophobicContact CB-CG2 4.04Å; K238-T275 HydrophobicContact CD-CG2 3.92Å; K238-M279 HydrophobicContact CD-SD 4.12Å; K238-M279 WeakPolarHBondContact CE-SD 3.36Å; K238-T380 HydrophobicContact CD-CG2 4.48Å; K238-N381 WeakPolarHBondContact CD-OD1 3.35Å; K238-N381 PolarHBondContact NZ-OD1 2.83Å; K238-S465 PolarHBondContact NZ-O 2.95Å; K238-Y466 WeakPolarHBondContact CE-O 3.41Å; K238-Y466 PolarHBondContact NZ-O 3.49Å; K238-T485 PolarHBondContact NZ-O 2.89Å |
| 239 | D | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -28.3 | -176.6 | -57.3 | -59.3 | 0 | 0 | 0 | 112.4 | T235 S236 P237 L242 K243 L339 P341 H342 | T235-D239 HydrophobicContact CG2-CB 3.9Å; S236-D239 WeakPolarHBondContact CA-OD2 3.21Å; S236-D239 WeakPolarHBondContact CB-OD2 3.08Å; S236-D239 PolarHBondContact N-OD2 2.84Å; S236-D239 PolarHBondContact O-N 2.97Å; S236-D239 VanDerWaalsContact O-N 3.08Å; S236-D239 PolarHBondContact OG-OD2 3.14Å; P237-D239 VanDerWaalsContact C-N 3.27Å; P237-D239 PolarHBondContact O-N 2.8Å; D239-L242 PolarHBondContact O-N 3.39Å; D239-K243 WeakPolarHBondContact O-CB 3.49Å; D239-K243 PolarHBondContact O-N 2.66Å; D239-L339 HydrophobicContact CB-CD2 4.01Å; D239-L339 HydrophobicContact CB-CG 4.29Å; D239-P341 WeakPolarHBondContact OD1-CA 3.39Å; D239-H342 PolarHBondContact OD1-N 3.23Å |
| 240 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -50.6 | 176 | -62.4 | 169.1 | 0 | 0 | 0 | 109.8 | L227 L231 P237 K238 K243 V244 Y260 I268 I276 I334 L336 L339 | L227-I240 HydrophobicContact CD1-CD1 4.45Å; L227-I240 HydrophobicContact CD2-CG2 3.93Å; L231-I240 HydrophobicContact CD1-CD1 4.17Å; L231-I240 HydrophobicContact CD2-CD1 4.17Å; L231-I240 HydrophobicContact CD2-CG1 4.31Å; L231-I240 HydrophobicContact CG-CD1 4.39Å; P237-I240 WeakPolarHBondContact O-CB 3.36Å; P237-I240 PolarHBondContact O-N 2.79Å; K238-I240 PolarHBondContact O-N 3.49Å; I240-K243 PolarHBondContact O-N 2.93Å; I240-V244 WeakPolarHBondContact O-CG2 3.27Å; I240-V244 PolarHBondContact O-N 3.48Å; I240-Y260 HydrophobicContact CG2-CE1 4.33Å; I240-I268 HydrophobicContact CD1-CD1 3.5Å; I240-I268 VanDerWaalsContact CD1-CD1 3.5Å; I240-I268 HydrophobicContact CD1-CG1 4.31Å; I240-I276 HydrophobicContact CB-CD1 4.06Å; I240-I276 HydrophobicContact CB-CG1 4.23Å; I240-I276 HydrophobicContact CD1-CD1 3.71Å; I240-I276 HydrophobicContact CG1-CD1 4.46Å; I240-I276 HydrophobicContact CG2-CD1 4.22Å; I240-I334 HydrophobicContact CG2-CD1 4.32Å; I240-L336 HydrophobicContact CD1-CD2 3.47Å; I240-L336 VanDerWaalsContact CD1-CD2 3.47Å; I240-L336 HydrophobicContact CG1-CD2 3.58Å; I240-L339 HydrophobicContact CB-CD2 4.42Å; I240-L339 HydrophobicContact CG1-CD2 3.66Å |
| 241 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73.8 | -30 | -179 | -173.8 | 54.8 | 0 | 0 | 0 | 112.4 | K238 K243 V244 A245 I276 M279 | K238-I241 HydrophobicContact CD-CG2 4.08Å; K238-I241 WeakPolarHBondContact O-CG2 3.47Å; K238-I241 PolarHBondContact O-N 2.89Å; I241-K243 VanDerWaalsContact C-N 3.3Å; I241-K243 PolarHBondContact O-N 3.5Å; I241-V244 HydrophobicContact CD1-CB 4.05Å; I241-V244 HydrophobicContact CD1-CG1 4.14Å; I241-V244 PolarHBondContact O-N 2.74Å; I241-A245 VanDerWaalsContact O-CB 3.29Å; I241-A245 WeakPolarHBondContact O-CB 3.37Å; I241-A245 PolarHBondContact O-N 3.33Å; I241-I276 HydrophobicContact CB-CB 4.45Å; I241-I276 HydrophobicContact CB-CG2 4.21Å; I241-I276 WeakPolarHBondContact CG1-O 3.49Å; I241-M279 HydrophobicContact CB-CB 4.43Å; I241-M279 HydrophobicContact CG1-CB 3.61Å; I241-M279 HydrophobicContact CG1-CG 3.99Å; I241-M279 HydrophobicContact CG2-CB 3.95Å; I241-M279 HydrophobicContact CG2-CG 4.43Å; I241-M279 HydrophobicContact CG2-SD 4.12Å |
| 242 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 170.1 | -65.8 | -178.5 | 0 | 0 | 0 | 111.6 | K238 D239 A245 E246 M279 H342 N344 V484 | K238-L242 HydrophobicContact CD-CD2 4.49Å; K238-L242 HydrophobicContact CD-CG 4.32Å; K238-L242 HydrophobicContact CG-CD1 4.06Å; K238-L242 HydrophobicContact CG-CG 4.22Å; K238-L242 WeakPolarHBondContact O-CG 3.3Å; K238-L242 PolarHBondContact O-N 2.57Å; D239-L242 PolarHBondContact O-N 3.39Å; L242-A245 PolarHBondContact O-N 2.91Å; L242-E246 PolarHBondContact O-N 3.25Å; L242-E246 VanDerWaalsContact O-N 3.07Å; L242-M279 HydrophobicContact CD2-CE 3.49Å; L242-M279 VanDerWaalsContact CD2-CE 3.49Å; L242-M279 HydrophobicContact CD2-SD 3.69Å; L242-H342 HydrophobicContact CB-CB 3.85Å; L242-H342 HydrophobicContact CD1-CB 3.84Å; L242-H342 VanDerWaalsContact CD1-O 3.22Å; L242-H342 WeakPolarHBondContact CD1-O 3.24Å; L242-N344 HydrophobicContact CD2-CB 4.07Å; L242-N344 PolarHBondContact O-ND2 3.3Å; L242-N344 VanDerWaalsContact O-ND2 3.1Å; L242-V484 HydrophobicContact CD2-CG2 4.22Å |
| 243 | K | 98.7 | Very high | 97.7 | Very high | 52 Ų | 52 | 22.2 Ų | 22.2 | 23% | 0.226 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.3 | -40.3 | 175.1 | -175 | 56.1 | 174.4 | -175 | 0 | 112.6 | D239 I240 I241 A245 E246 I247 I334 L339 | D239-K243 WeakPolarHBondContact O-CB 3.49Å; D239-K243 PolarHBondContact O-N 2.66Å; I240-K243 PolarHBondContact O-N 2.93Å; I241-K243 VanDerWaalsContact C-N 3.3Å; I241-K243 PolarHBondContact O-N 3.5Å; K243-A245 VanDerWaalsContact C-N 3.28Å; K243-A245 PolarHBondContact O-N 3.44Å; K243-E246 WeakPolarHBondContact CD-OE2 3.32Å; K243-E246 WeakPolarHBondContact CE-OE2 3.44Å; K243-E246 IonicContact NZ-OE1 2.97Å; K243-E246 PolarHBondContact NZ-OE1 3.31Å; K243-E246 IonicContact NZ-OE2 3.82Å; K243-E246 PolarHBondContact NZ-OE2 3.4Å; K243-E246 WeakPolarHBondContact O-CB 3.17Å; K243-E246 PolarHBondContact O-N 2.76Å; K243-I247 HydrophobicContact CD-CD1 4.4Å; K243-I247 HydrophobicContact CG-CD1 4.11Å; K243-I247 VanDerWaalsContact O-CG1 3.31Å; K243-I247 WeakPolarHBondContact O-CG1 3.21Å; K243-I247 PolarHBondContact O-N 3.01Å; K243-I247 VanDerWaalsContact O-N 3.09Å; K243-I334 HydrophobicContact CB-CD1 4.44Å; K243-I334 HydrophobicContact CG-CD1 4.24Å; K243-L339 HydrophobicContact CB-CD1 3.94Å; K243-L339 HydrophobicContact CG-CD1 4.1Å |
| 244 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 173.5 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | V225 I240 I241 I247 L248 Y260 I283 I334 | V225-V244 HydrophobicContact CG1-CG2 4.09Å; V225-V244 HydrophobicContact CG2-CG2 4.31Å; I240-V244 WeakPolarHBondContact O-CG2 3.27Å; I240-V244 PolarHBondContact O-N 3.48Å; I241-V244 HydrophobicContact CD1-CB 4.05Å; I241-V244 HydrophobicContact CD1-CG1 4.14Å; I241-V244 PolarHBondContact O-N 2.74Å; V244-I247 PolarHBondContact O-N 3.5Å; V244-L248 HydrophobicContact CG1-CD1 3.83Å; V244-L248 HydrophobicContact CG1-CG 4.41Å; V244-L248 WeakPolarHBondContact O-CB 3.34Å; V244-L248 PolarHBondContact O-N 2.76Å; V244-Y260 HydrophobicContact CG2-CE1 4.48Å; V244-I283 HydrophobicContact CG1-CD1 4.18Å; V244-I334 HydrophobicContact CG2-CD1 3.46Å; V244-I334 VanDerWaalsContact CG2-CD1 3.46Å |
| 245 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I241 L242 K243 I247 T249 I283 D350 | I241-A245 VanDerWaalsContact O-CB 3.29Å; I241-A245 WeakPolarHBondContact O-CB 3.37Å; I241-A245 PolarHBondContact O-N 3.33Å; L242-A245 PolarHBondContact O-N 2.91Å; K243-A245 VanDerWaalsContact C-N 3.28Å; K243-A245 PolarHBondContact O-N 3.44Å; A245-I247 PolarHBondContact O-N 3.09Å; A245-T249 VanDerWaalsContact O-CA 3.24Å; A245-T249 WeakPolarHBondContact O-CA 3.21Å; A245-T249 PolarHBondContact O-N 2.89Å; A245-I283 HydrophobicContact CB-CG2 3.88Å; A245-D350 HydrophobicContact CB-CB 4.48Å; A245-D350 VanDerWaalsContact O-CB 3.25Å; A245-D350 WeakPolarHBondContact O-CB 3.42Å |
| 246 | E | 98.1 | Very high | 97.8 | Very high | 74 Ų | 74 | 23.2 Ų | 23.2 | 35% | 0.346 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -56.9 | -48.6 | 170.5 | -171.6 | -165.9 | 141.9 | 0 | 0 | 111.9 | L242 K243 H342 A352 | L242-E246 PolarHBondContact O-N 3.25Å; L242-E246 VanDerWaalsContact O-N 3.07Å; K243-E246 WeakPolarHBondContact CD-OE2 3.32Å; K243-E246 WeakPolarHBondContact CE-OE2 3.44Å; K243-E246 IonicContact NZ-OE1 2.97Å; K243-E246 PolarHBondContact NZ-OE1 3.31Å; K243-E246 IonicContact NZ-OE2 3.82Å; K243-E246 PolarHBondContact NZ-OE2 3.4Å; K243-E246 WeakPolarHBondContact O-CB 3.17Å; K243-E246 PolarHBondContact O-N 2.76Å; E246-H342 IonicContact OE2-NE2 2.83Å; E246-A352 HydrophobicContact CB-CB 3.58Å; E246-A352 HydrophobicContact CG-CB 3.71Å |
| 247 | I | 98.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 23.2 Ų | 23.2 | 36% | 0.359 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -70.6 | -39.7 | -173.9 | -66.2 | 165.6 | 0 | 0 | 0 | 111.7 | K243 V244 A245 I332 | K243-I247 HydrophobicContact CD-CD1 4.4Å; K243-I247 HydrophobicContact CG-CD1 4.11Å; K243-I247 VanDerWaalsContact O-CG1 3.31Å; K243-I247 WeakPolarHBondContact O-CG1 3.21Å; K243-I247 PolarHBondContact O-N 3.01Å; K243-I247 VanDerWaalsContact O-N 3.09Å; V244-I247 PolarHBondContact O-N 3.5Å; A245-I247 PolarHBondContact O-N 3.09Å; I247-I332 HydrophobicContact CD1-CG2 3.78Å; I247-I332 HydrophobicContact CG2-CD1 3.84Å; I247-I332 HydrophobicContact CG2-CG1 4.2Å; I247-I332 HydrophobicContact CG2-CG2 4.28Å |
| 248 | L | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -93.3 | -21.9 | -175.4 | -73.8 | 179.3 | 0 | 0 | 0 | 113.6 | I223 V244 G252 I283 K330 I332 | I223-L248 HydrophobicContact CD1-CD1 4.04Å; I223-L248 HydrophobicContact CD1-CD2 4.34Å; I223-L248 HydrophobicContact CG2-CD1 4.43Å; V244-L248 HydrophobicContact CG1-CD1 3.83Å; V244-L248 HydrophobicContact CG1-CG 4.41Å; V244-L248 WeakPolarHBondContact O-CB 3.34Å; V244-L248 PolarHBondContact O-N 2.76Å; L248-G252 WeakPolarHBondContact O-CA 3.1Å; L248-G252 PolarHBondContact O-N 3.18Å; L248-I283 HydrophobicContact CB-CB 4.4Å; L248-I283 HydrophobicContact CB-CG2 4.26Å; L248-I283 HydrophobicContact CD1-CD1 3.58Å; L248-K330 HydrophobicContact CD2-CD 4.23Å; L248-K330 VanDerWaalsContact CD2-NZ 3.3Å; L248-I332 HydrophobicContact CD1-CD1 3.79Å; L248-I332 HydrophobicContact CD2-CD1 3.71Å; L248-I332 HydrophobicContact CG-CD1 3.58Å |
| 249 | T | 97.9 | Very high | 97.9 | Very high | 63 Ų | 63 | 22.7 Ų | 22.7 | 39% | 0.387 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 174.8 | -167.7 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | A245 K251 G252 I283 D350 | A245-T249 VanDerWaalsContact O-CA 3.24Å; A245-T249 WeakPolarHBondContact O-CA 3.21Å; A245-T249 PolarHBondContact O-N 2.89Å; T249-K251 PolarHBondContact O-N 3.46Å; T249-K251 PolarHBondContact OG1-N 2.77Å; T249-G252 PolarHBondContact O-N 2.79Å; T249-I283 WeakPolarHBondContact O-CA 3.38Å; T249-I283 WeakPolarHBondContact O-CB 3.5Å; T249-I283 WeakPolarHBondContact O-CG2 3.49Å; T249-D350 VanDerWaalsContact CA-OD2 3.23Å; T249-D350 WeakPolarHBondContact CA-OD2 3.4Å; T249-D350 VanDerWaalsContact CB-OD2 3.26Å; T249-D350 WeakPolarHBondContact CB-OD2 3.2Å |
| 250 | V | 95.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 22.7 Ų | 22.7 | 7% | 0.073 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -10.6 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 115.2 | E282 I283 P349 D350 | V250-E282 WeakPolarHBondContact CA-O 3.48Å; V250-I283 CarbonylContact O-C 3.49Å; V250-P349 HydrophobicContact CG1-CG 3.83Å; V250-D350 HydrophobicContact CG1-CB 4.29Å; V250-D350 PolarHBondContact N-OD2 3.5Å |
| 251 | K | 92.9 | Very high | 97.9 | Very high | 77 Ų | 77 | 25 Ų | 25 | 34% | 0.335 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -24.8 | -177.9 | -63 | 179.2 | -177.3 | 161.7 | 0 | 113.8 | T249 G253 T254 E657 N658 | T249-K251 PolarHBondContact O-N 3.46Å; T249-K251 PolarHBondContact OG1-N 2.77Å; K251-G253 VanDerWaalsContact C-N 3.25Å; K251-G253 PolarHBondContact O-N 2.74Å; K251-T254 VanDerWaalsContact O-CB 3.31Å; K251-T254 WeakPolarHBondContact O-CB 3.33Å; K251-T254 PolarHBondContact O-N 2.81Å; K251-T254 PolarHBondContact O-OG1 2.9Å; K251-E657 IonicContact NZ-OE2 3.69Å; K251-E657 PolarHBondContact NZ-OE2 2.82Å; K251-N658 HydrophobicContact CD-CB 4.12Å; K251-N658 HydrophobicContact CG-CB 3.92Å |
| 252 | G | 96.1 | Very high | 97.8 | Very high | 33 Ų | 33 | 26.3 Ų | 26.3 | 34% | 0.34 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.4 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | I223 L248 T249 | I223-G252 WeakPolarHBondContact CD1-O 3.26Å; L248-G252 WeakPolarHBondContact O-CA 3.1Å; L248-G252 PolarHBondContact O-N 3.18Å; T249-G252 PolarHBondContact O-N 2.79Å |
| 253 | G | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K251 G255 A256 I283 G284 A285 | K251-G253 VanDerWaalsContact C-N 3.25Å; K251-G253 PolarHBondContact O-N 2.74Å; G253-G255 PolarHBondContact O-N 2.78Å; G253-A256 PolarHBondContact O-N 2.51Å; G253-I283 WeakPolarHBondContact CA-O 3.38Å; G253-I283 PolarHBondContact N-O 3.07Å; G253-G284 CarbonylContact C-O 3.47Å; G253-A285 WeakPolarHBondContact O-CA 3.45Å |
| 254 | T | 96.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 28.5 Ų | 28.5 | 34% | 0.344 | 17% | 0.174 | S | C | . | . | B | Isolated β-bridge | trans | -56.1 | 121.7 | -172.2 | -54.7 | 0 | 0 | 0 | 0 | 112 | K251 A256 G284 | K251-T254 VanDerWaalsContact O-CB 3.31Å; K251-T254 WeakPolarHBondContact O-CB 3.33Å; K251-T254 PolarHBondContact O-N 2.81Å; K251-T254 PolarHBondContact O-OG1 2.9Å; T254-A256 VanDerWaalsContact C-N 3.28Å; T254-A256 PolarHBondContact O-N 3.12Å; T254-G284 WeakPolarHBondContact CA-O 3.37Å |
| 255 | G | 96.7 | Very high | 97.8 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 29% | 0.289 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 10.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P220 L221 G253 | P220-G255 VanDerWaalsContact CA-O 3.29Å; P220-G255 WeakPolarHBondContact CA-O 3.46Å; L221-G255 PolarHBondContact N-O 3.28Å; G253-G255 PolarHBondContact O-N 2.78Å |
| 256 | A | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 159.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L221 I223 G253 T254 T286 | L221-A256 HydrophobicContact CB-CB 3.94Å; L221-A256 CarbonylContact O-C 3.3Å; L221-A256 WeakPolarHBondContact O-CA 3.35Å; I223-A256 HydrophobicContact CD1-CB 3.76Å; I223-A256 HydrophobicContact CG1-CB 3.82Å; G253-A256 PolarHBondContact O-N 2.51Å; T254-A256 VanDerWaalsContact C-N 3.28Å; T254-A256 PolarHBondContact O-N 3.12Å; A256-T286 WeakPolarHBondContact O-CB 3.36Å; A256-T286 PolarHBondContact O-N 3.19Å; A256-T286 PolarHBondContact O-OG1 2.95Å |
| 257 | I | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 136 | 162.2 | -66.8 | 177.8 | 0 | 0 | 0 | 108.1 | A59 L63 L197 P220 L221 V222 I223 T286 T287 I289 | A59-I257 HydrophobicContact CB-CB 4.11Å; A59-I257 HydrophobicContact CB-CD1 4.08Å; A59-I257 HydrophobicContact CB-CG2 3.67Å; L63-I257 HydrophobicContact CD1-CD1 3.79Å; L63-I257 HydrophobicContact CG-CD1 4.39Å; L197-I257 HydrophobicContact CD1-CD1 4.23Å; L197-I257 HydrophobicContact CD2-CD1 4.13Å; L197-I257 HydrophobicContact CD2-CG2 4.25Å; P220-I257 HydrophobicContact CB-CD1 4.14Å; P220-I257 HydrophobicContact CB-CG1 3.81Å; P220-I257 HydrophobicContact CG-CD1 3.89Å; P220-I257 HydrophobicContact CG-CG1 3.98Å; L221-I257 PolarHBondContact O-N 3.34Å; V222-I257 WeakPolarHBondContact CA-O 3.45Å; I223-I257 PolarHBondContact N-O 2.8Å; I257-T286 HydrophobicContact CG1-CG2 4.48Å; I257-T287 WeakPolarHBondContact CA-O 3.4Å; I257-T287 HydrophobicContact CD1-CG2 3.84Å; I257-T287 HydrophobicContact CG1-CG2 3.81Å; I257-T287 HydrophobicContact CG2-CG2 4.08Å; I257-I289 HydrophobicContact CG2-CG2 4.18Å |
| 258 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.1 | 172.7 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | I223 V225 Y260 I283 A285 T287 S288 I289 | I223-V258 HydrophobicContact CB-CG2 4.49Å; I223-V258 CarbonylContact O-C 3.55Å; I223-V258 WeakPolarHBondContact O-CA 3.33Å; V225-V258 HydrophobicContact CG2-CG1 3.53Å; V258-Y260 HydrophobicContact CB-CE2 4.33Å; V258-Y260 HydrophobicContact CG1-CD2 4.32Å; V258-Y260 HydrophobicContact CG1-CE1 4.35Å; V258-Y260 HydrophobicContact CG1-CE2 3.67Å; V258-I283 HydrophobicContact CG2-CD1 3.75Å; V258-A285 HydrophobicContact CG2-CB 3.97Å; V258-T287 PolarHBondContact N-O 3.21Å; V258-S288 CarbonylContact O-C 3.55Å; V258-S288 WeakPolarHBondContact O-CA 3.07Å; V258-I289 PolarHBondContact O-N 2.83Å |
| 259 | E | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.6 | 179.1 | -173.8 | 168.3 | 139.1 | 0 | 0 | 109.6 | T57 L58 A59 V222 I223 G224 V225 I289 S322 Y328 | T57-E259 WeakPolarHBondContact CB-OE1 3.49Å; T57-E259 WeakPolarHBondContact CB-OE2 3.31Å; T57-E259 PolarHBondContact OG1-OE2 2.99Å; L58-E259 HydrophobicContact CB-CG 4.34Å; L58-E259 WeakPolarHBondContact CB-OE1 3.39Å; L58-E259 VanDerWaalsContact N-CD 3.28Å; L58-E259 PolarHBondContact N-OE1 3.43Å; L58-E259 PolarHBondContact N-OE2 2.81Å; A59-E259 WeakPolarHBondContact CB-OE2 3.4Å; A59-E259 PolarHBondContact N-OE2 2.8Å; V222-E259 HydrophobicContact CG1-CB 3.83Å; I223-E259 PolarHBondContact O-N 2.87Å; G224-E259 CarbonylContact C-O 3.58Å; G224-E259 WeakPolarHBondContact CA-O 3.44Å; V225-E259 PolarHBondContact N-O 2.86Å; E259-I289 HydrophobicContact CB-CG2 4.21Å; E259-I289 HydrophobicContact CG-CG2 4.09Å; E259-S322 WeakPolarHBondContact OE1-CB 3.25Å; E259-Y328 HydrophobicContact CB-CE1 4.05Å; E259-Y328 HydrophobicContact CG-CE1 4.1Å; E259-Y328 PolarHBondContact OE1-OH 3.43Å |
| 260 | Y | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132.4 | 178.5 | -65.6 | -89.8 | 0 | 0 | 0 | 110.1 | V225 L227 I240 V244 V258 I276 I289 F290 P291 | V225-Y260 HydrophobicContact CB-CD1 3.65Å; V225-Y260 HydrophobicContact CB-CE1 3.76Å; V225-Y260 HydrophobicContact CB-CG 4.45Å; V225-Y260 HydrophobicContact CG1-CD1 3.83Å; V225-Y260 HydrophobicContact CG1-CE1 3.79Å; V225-Y260 HydrophobicContact CG2-CD1 4.36Å; V225-Y260 HydrophobicContact CG2-CE1 4.03Å; V225-Y260 WeakPolarHBondContact O-CA 3.49Å; L227-Y260 HydrophobicContact CD1-CD1 4.02Å; L227-Y260 HydrophobicContact CD2-CD1 4.43Å; L227-Y260 HydrophobicContact CG-CD1 4.31Å; I240-Y260 HydrophobicContact CG2-CE1 4.33Å; V244-Y260 HydrophobicContact CG2-CE1 4.48Å; V258-Y260 HydrophobicContact CB-CE2 4.33Å; V258-Y260 HydrophobicContact CG1-CD2 4.32Å; V258-Y260 HydrophobicContact CG1-CE1 4.35Å; V258-Y260 HydrophobicContact CG1-CE2 3.67Å; Y260-I276 HydrophobicContact CD1-CG2 4.23Å; Y260-I276 HydrophobicContact CD2-CG2 4.27Å; Y260-I276 HydrophobicContact CE1-CG2 3.5Å; Y260-I276 HydrophobicContact CE2-CG2 3.55Å; Y260-I276 WeakPolarHBondContact OH-CG2 3.31Å; Y260-I289 PolarHBondContact N-O 2.82Å; Y260-F290 VanDerWaalsContact CB-CZ 3.49Å; Y260-F290 HydrophobicContact CD1-CE1 4.28Å; Y260-F290 HydrophobicContact CD1-CE2 4.26Å; Y260-F290 AromaticContact CD1-CZ 3.74Å; Y260-F290 HydrophobicContact CD1-CZ 3.74Å; Y260-F290 AromaticContact CD2-CD2 3.8Å; Y260-F290 HydrophobicContact CD2-CD2 3.8Å; Y260-F290 HydrophobicContact CD2-CE1 4.36Å; Y260-F290 AromaticContact CD2-CE2 3.33Å; Y260-F290 HydrophobicContact CD2-CE2 3.33Å; Y260-F290 HydrophobicContact CD2-CG 4.47Å; Y260-F290 AromaticContact CD2-CZ 3.66Å; Y260-F290 HydrophobicContact CD2-CZ 3.66Å; Y260-F290 HydrophobicContact CE1-CZ 4.41Å; Y260-F290 AromaticContact CE2-CE2 3.91Å; Y260-F290 HydrophobicContact CE2-CE2 3.91Å; Y260-F290 HydrophobicContact CE2-CZ 4.35Å; Y260-F290 HydrophobicContact CG-CD1 4.31Å; Y260-F290 HydrophobicContact CG-CD2 4.16Å; Y260-F290 AromaticContact CG-CE1 3.75Å; Y260-F290 HydrophobicContact CG-CE1 3.75Å; Y260-F290 AromaticContact CG-CE2 3.56Å; Y260-F290 HydrophobicContact CG-CE2 3.56Å; Y260-F290 AromaticContact CG-CZ 3.32Å; Y260-F290 HydrophobicContact CG-CZ 3.32Å; Y260-P291 WeakPolarHBondContact O-CD 3.49Å |
| 261 | Y | 98.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 25 Ų | 25 | 19% | 0.192 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 178.4 | 179.5 | 74.3 | -77.8 | 0 | 0 | 0 | 110.8 | V225 N226 L227 Y328 I331 | V225-Y261 PolarHBondContact O-N 3.01Å; N226-Y261 CarbonylContact C-O 3.49Å; N226-Y261 WeakPolarHBondContact CA-O 3.36Å; N226-Y261 HydrophobicContact CB-CD1 4.48Å; N226-Y261 HydrophobicContact CB-CE1 3.82Å; N226-Y261 HydrophobicContact CB-CE2 3.87Å; N226-Y261 VanDerWaalsContact CB-CZ 3.49Å; L227-Y261 PolarHBondContact N-O 2.82Å; Y261-Y328 AromaticContact CD1-CE2 3.68Å; Y261-Y328 HydrophobicContact CD1-CE2 3.68Å; Y261-Y328 AromaticContact CD1-CZ 3.71Å; Y261-Y328 WeakPolarHBondContact CD1-OH 3.42Å; Y261-Y328 HydrophobicContact CD2-CE2 4.39Å; Y261-Y328 AromaticContact CE1-CD2 3.91Å; Y261-Y328 HydrophobicContact CE1-CD2 3.91Å; Y261-Y328 AromaticContact CE1-CE2 3.36Å; Y261-Y328 HydrophobicContact CE1-CE2 3.36Å; Y261-Y328 AromaticContact CE1-CZ 3.87Å; Y261-Y328 HydrophobicContact CE2-CE2 4.13Å; Y261-Y328 HydrophobicContact CG-CE2 4.19Å; Y261-Y328 AromaticContact CZ-CE2 3.6Å; Y261-I331 WeakPolarHBondContact OH-CG2 3.49Å |
| 262 | G | 98.2 | Very high | 98.1 | Very high | 27 Ų | 27 | 21.4 Ų | 21.4 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 98.3 | 167.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N226 L227 G264 V265 | N226-G262 WeakPolarHBondContact OD1-CA 3.33Å; L227-G262 CarbonylContact O-C 3.45Å; L227-G262 VanDerWaalsContact O-C 3.3Å; G262-G264 PolarHBondContact O-N 2.78Å; G262-V265 WeakPolarHBondContact O-CB 3.43Å; G262-V265 WeakPolarHBondContact O-CG2 3.44Å; G262-V265 PolarHBondContact O-N 2.93Å |
| 263 | P | 98 | Very high | 98.3 | Very high | 98 Ų | 98 | 19.9 Ų | 19.9 | 64% | 0.636 | 13% | 0.125 | S | C | * | . | G | 310 helix | trans | -64.6 | -24.9 | -172.2 | 26 | -34.9 | 0 | 0 | 0 | 113.9 | L227 T228 V265 E266 | L227-P263 WeakPolarHBondContact O-CD 3.37Å; T228-P263 HydrophobicContact CG2-CG 4.33Å; P263-V265 PolarHBondContact O-N 3.29Å; P263-E266 PolarHBondContact O-N 3.29Å |
| 264 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -67.9 | -20 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L227 G229 G262 E266 S267 | L227-G264 WeakPolarHBondContact O-CA 3.49Å; L227-G264 PolarHBondContact O-N 3Å; G229-G264 WeakPolarHBondContact O-CA 3.19Å; G262-G264 PolarHBondContact O-N 2.78Å; G264-E266 PolarHBondContact O-N 3.21Å; G264-S267 WeakPolarHBondContact O-CB 3.27Å; G264-S267 PolarHBondContact O-N 3.5Å; G264-S267 PolarHBondContact O-OG 3.38Å |
| 265 | V | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -55.5 | -40.2 | 176.9 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | L227 G262 P263 S267 I268 M273 F290 P291 | L227-V265 HydrophobicContact CD1-CG2 4.22Å; G262-V265 WeakPolarHBondContact O-CB 3.43Å; G262-V265 WeakPolarHBondContact O-CG2 3.44Å; G262-V265 PolarHBondContact O-N 2.93Å; P263-V265 PolarHBondContact O-N 3.29Å; V265-S267 PolarHBondContact O-N 2.96Å; V265-S267 VanDerWaalsContact O-N 3.15Å; V265-I268 PolarHBondContact O-N 3.49Å; V265-I268 VanDerWaalsContact O-N 3.12Å; V265-M273 HydrophobicContact CG1-CE 3.94Å; V265-M273 VanDerWaalsContact O-CE 3.28Å; V265-M273 WeakPolarHBondContact O-CE 3.41Å; V265-F290 HydrophobicContact CB-CD1 4.49Å; V265-F290 HydrophobicContact CG1-CD1 3.77Å; V265-F290 HydrophobicContact CG1-CE1 4.31Å; V265-F290 HydrophobicContact CG2-CD1 4.09Å; V265-F290 HydrophobicContact CG2-CE1 4.08Å; V265-P291 HydrophobicContact CG1-CG 4.14Å |
| 266 | E | 97.3 | Very high | 98.5 | Very high | 94 Ų | 94 | 16 Ų | 16 | 44% | 0.439 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -67.3 | -17.2 | -177.8 | -58.8 | -58.1 | 163.3 | 0 | 0 | 113.3 | P263 G264 I268 N293 R295 | P263-E266 PolarHBondContact O-N 3.29Å; G264-E266 PolarHBondContact O-N 3.21Å; E266-I268 VanDerWaalsContact C-N 3.31Å; E266-N293 WeakPolarHBondContact OE2-CB 3.39Å; E266-N293 PolarHBondContact OE2-ND2 3.12Å; E266-R295 PolarHBondContact O-NH1 3.33Å |
| 267 | S | 96.4 | Very high | 98.5 | Very high | 35 Ų | 35 | 15.9 Ų | 15.9 | 25% | 0.245 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -77.5 | -16.8 | 176.5 | 76.5 | 0 | 0 | 0 | 0 | 113.5 | G264 V265 R295 | G264-S267 WeakPolarHBondContact O-CB 3.27Å; G264-S267 PolarHBondContact O-N 3.5Å; G264-S267 PolarHBondContact O-OG 3.38Å; V265-S267 PolarHBondContact O-N 2.96Å; V265-S267 VanDerWaalsContact O-N 3.15Å; S267-R295 PolarHBondContact O-NH1 2.96Å |
| 268 | I | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -97.6 | 134.9 | -170.4 | -50.6 | 172.6 | 0 | 0 | 0 | 109.4 | L227 L231 P237 I240 V265 E266 M273 I276 F290 R295 | L227-I268 HydrophobicContact CD1-CD1 3.55Å; L231-I268 HydrophobicContact CD1-CG1 4.21Å; P237-I268 HydrophobicContact CB-CG2 4.12Å; P237-I268 HydrophobicContact CG-CG2 4.09Å; I240-I268 HydrophobicContact CD1-CD1 3.5Å; I240-I268 VanDerWaalsContact CD1-CD1 3.5Å; I240-I268 HydrophobicContact CD1-CG1 4.31Å; V265-I268 PolarHBondContact O-N 3.49Å; V265-I268 VanDerWaalsContact O-N 3.12Å; E266-I268 VanDerWaalsContact C-N 3.31Å; I268-M273 HydrophobicContact CB-CE 4.22Å; I268-M273 HydrophobicContact CB-CG 4.12Å; I268-M273 HydrophobicContact CG2-CG 3.78Å; I268-M273 WeakPolarHBondContact O-CE 3.46Å; I268-I276 HydrophobicContact CD1-CD1 3.92Å; I268-I276 HydrophobicContact CG2-CD1 4.13Å; I268-F290 HydrophobicContact CD1-CE1 4.17Å; I268-F290 HydrophobicContact CD1-CZ 4.41Å; I268-R295 WeakPolarHBondContact O-CG 3.28Å; I268-R295 PolarHBondContact O-NH1 3.19Å |
| 269 | S | 98.5 | Very high | 98.5 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | trans | -68.1 | 160.4 | 173.3 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | T271 G272 M273 E385 | S269-T271 VanDerWaalsContact C-N 3.31Å; S269-T271 PolarHBondContact O-N 2.83Å; S269-T271 PolarHBondContact OG-OG1 2.97Å; S269-G272 PolarHBondContact O-N 2.67Å; S269-G272 VanDerWaalsContact O-N 3.15Å; S269-G272 PolarHBondContact OG-N 3.08Å; S269-M273 WeakPolarHBondContact O-CG 3.26Å; S269-M273 PolarHBondContact O-N 2.95Å; S269-E385 WeakPolarHBondContact CB-OE2 3.12Å; S269-E385 PolarHBondContact OG-OE2 3.03Å | ||
| 270 | C | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 3% | 0.027 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.7 | -42.9 | 175.4 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | G193 L194 M273 A274 Y299 | G193-C270 PolarHBondContact O-SG 2.9Å; L194-C270 WeakPolarHBondContact CD1-SG 3.43Å; C270-M273 WeakPolarHBondContact O-CB 3.33Å; C270-M273 PolarHBondContact O-N 2.99Å; C270-A274 PolarHBondContact O-N 3.33Å; C270-Y299 HydrophobicContact CB-CD2 4.23Å; C270-Y299 HydrophobicContact CB-CG 3.93Å |
| 271 | T | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 6% | 0.055 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.6 | -36.4 | 176.3 | 40.4 | 0 | 0 | 0 | 0 | 112.1 | L171 S269 A274 T275 Y299 E385 | L171-T271 HydrophobicContact CD2-CG2 4.17Å; S269-T271 VanDerWaalsContact C-N 3.31Å; S269-T271 PolarHBondContact O-N 2.83Å; S269-T271 PolarHBondContact OG-OG1 2.97Å; T271-A274 WeakPolarHBondContact O-CB 3.37Å; T271-A274 PolarHBondContact O-N 2.71Å; T271-T275 PolarHBondContact O-N 3.41Å; T271-T275 PolarHBondContact O-OG1 3.17Å; T271-Y299 HydrophobicContact CG2-CD2 4.11Å; T271-Y299 HydrophobicContact CG2-CE2 3.58Å; T271-E385 PolarHBondContact OG1-OE2 3.19Å |
| 272 | G | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P237 S269 A274 T275 I276 | P237-G272 VanDerWaalsContact CB-CA 3.43Å; P237-G272 WeakPolarHBondContact CB-O 3.44Å; S269-G272 PolarHBondContact O-N 2.67Å; S269-G272 VanDerWaalsContact O-N 3.15Å; S269-G272 PolarHBondContact OG-N 3.08Å; G272-A274 VanDerWaalsContact C-N 3.26Å; G272-A274 PolarHBondContact O-N 2.88Å; G272-T275 WeakPolarHBondContact O-CB 3.38Å; G272-T275 PolarHBondContact O-N 3.34Å; G272-I276 WeakPolarHBondContact O-CG1 3.28Å; G272-I276 PolarHBondContact O-N 3.46Å; G272-I276 VanDerWaalsContact O-N 3.09Å |
| 273 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 171.3 | -66.1 | 175.1 | -166.5 | 0 | 0 | 110.7 | V265 I268 S269 C270 I276 C277 F290 N293 R295 M296 | V265-M273 HydrophobicContact CG1-CE 3.94Å; V265-M273 VanDerWaalsContact O-CE 3.28Å; V265-M273 WeakPolarHBondContact O-CE 3.41Å; I268-M273 HydrophobicContact CB-CE 4.22Å; I268-M273 HydrophobicContact CB-CG 4.12Å; I268-M273 HydrophobicContact CG2-CG 3.78Å; I268-M273 WeakPolarHBondContact O-CE 3.46Å; S269-M273 WeakPolarHBondContact O-CG 3.26Å; S269-M273 PolarHBondContact O-N 2.95Å; C270-M273 WeakPolarHBondContact O-CB 3.33Å; C270-M273 PolarHBondContact O-N 2.99Å; M273-I276 PolarHBondContact O-N 3.33Å; M273-C277 PolarHBondContact O-N 3.23Å; M273-C277 PolarHBondContact O-SG 3.23Å; M273-C277 VanDerWaalsContact O-SG 3.35Å; M273-F290 HydrophobicContact CB-CB 4.42Å; M273-F290 HydrophobicContact CB-CD1 4.33Å; M273-F290 HydrophobicContact CB-CD2 3.59Å; M273-F290 HydrophobicContact CB-CE2 3.82Å; M273-F290 HydrophobicContact CB-CG 3.86Å; M273-F290 HydrophobicContact CB-CZ 4.29Å; M273-F290 HydrophobicContact CE-CD1 4.34Å; M273-F290 HydrophobicContact CG-CB 4.31Å; M273-F290 HydrophobicContact CG-CD1 3.69Å; M273-F290 HydrophobicContact CG-CD2 3.89Å; M273-F290 HydrophobicContact CG-CE1 3.86Å; M273-F290 HydrophobicContact CG-CE2 4.07Å; M273-F290 HydrophobicContact CG-CG 3.7Å; M273-F290 HydrophobicContact CG-CZ 4.06Å; M273-F290 HydrophobicContact SD-CB 3.74Å; M273-F290 HydrophobicContact SD-CD1 3.79Å; M273-F290 HydrophobicContact SD-CD2 4.44Å; M273-F290 HydrophobicContact SD-CE1 4.49Å; M273-F290 HydrophobicContact SD-CG 3.74Å; M273-N293 WeakPolarHBondContact CE-ND2 3.26Å; M273-R295 HydrophobicContact CE-CB 4.45Å; M273-M296 HydrophobicContact SD-CE 3.57Å; M273-M296 VanDerWaalsContact SD-CE 3.57Å |
| 274 | A | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.2 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L171 N190 C270 T271 G272 I276 C277 N278 | L171-A274 HydrophobicContact CD1-CB 4.07Å; L171-A274 HydrophobicContact CD2-CB 3.57Å; L171-A274 HydrophobicContact CG-CB 4.48Å; N190-A274 VanDerWaalsContact ND2-C 3.32Å; N190-A274 WeakPolarHBondContact ND2-CB 3.21Å; N190-A274 PolarHBondContact ND2-O 3.44Å; N190-A274 WeakPolarHBondContact O-CA 3.41Å; N190-A274 WeakPolarHBondContact O-CB 3.37Å; C270-A274 PolarHBondContact O-N 3.33Å; T271-A274 WeakPolarHBondContact O-CB 3.37Å; T271-A274 PolarHBondContact O-N 2.71Å; G272-A274 VanDerWaalsContact C-N 3.26Å; G272-A274 PolarHBondContact O-N 2.88Å; A274-I276 VanDerWaalsContact C-N 3.35Å; A274-C277 PolarHBondContact O-N 2.84Å; A274-N278 WeakPolarHBondContact O-CB 3.49Å; A274-N278 PolarHBondContact O-N 2.91Å |
| 275 | T | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.018 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 170.1 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | K238 T271 G272 N278 M279 T380 N381 | K238-T275 HydrophobicContact CB-CG2 4.04Å; K238-T275 HydrophobicContact CD-CG2 3.92Å; T271-T275 PolarHBondContact O-N 3.41Å; T271-T275 PolarHBondContact O-OG1 3.17Å; G272-T275 WeakPolarHBondContact O-CB 3.38Å; G272-T275 PolarHBondContact O-N 3.34Å; T275-N278 PolarHBondContact O-N 3.39Å; T275-M279 PolarHBondContact O-N 3.49Å; T275-T380 WeakPolarHBondContact CB-O 3.38Å; T275-T380 HydrophobicContact CG2-CG2 4.09Å; T275-T380 PolarHBondContact OG1-O 3.4Å; T275-N381 WeakPolarHBondContact CG2-ND2 3.42Å; T275-N381 PolarHBondContact OG1-ND2 2.87Å |
| 276 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.2 | -48.3 | -179.3 | -66.6 | 164.2 | 0 | 0 | 0 | 110.3 | P237 I240 I241 Y260 I268 G272 M273 A274 N278 G280 F290 | P237-I276 HydrophobicContact CB-CD1 4.1Å; P237-I276 HydrophobicContact CB-CG1 4.22Å; P237-I276 WeakPolarHBondContact O-CG1 3.34Å; I240-I276 HydrophobicContact CB-CD1 4.06Å; I240-I276 HydrophobicContact CB-CG1 4.23Å; I240-I276 HydrophobicContact CD1-CD1 3.71Å; I240-I276 HydrophobicContact CG1-CD1 4.46Å; I240-I276 HydrophobicContact CG2-CD1 4.22Å; I241-I276 HydrophobicContact CB-CB 4.45Å; I241-I276 HydrophobicContact CB-CG2 4.21Å; I241-I276 WeakPolarHBondContact CG1-O 3.49Å; Y260-I276 HydrophobicContact CD1-CG2 4.23Å; Y260-I276 HydrophobicContact CD2-CG2 4.27Å; Y260-I276 HydrophobicContact CE1-CG2 3.5Å; Y260-I276 HydrophobicContact CE2-CG2 3.55Å; Y260-I276 WeakPolarHBondContact OH-CG2 3.31Å; I268-I276 HydrophobicContact CD1-CD1 3.92Å; I268-I276 HydrophobicContact CG2-CD1 4.13Å; G272-I276 WeakPolarHBondContact O-CG1 3.28Å; G272-I276 PolarHBondContact O-N 3.46Å; G272-I276 VanDerWaalsContact O-N 3.09Å; M273-I276 PolarHBondContact O-N 3.33Å; A274-I276 VanDerWaalsContact C-N 3.35Å; I276-N278 PolarHBondContact O-N 3.26Å; I276-G280 PolarHBondContact O-N 3.49Å; I276-F290 HydrophobicContact CB-CE2 3.96Å; I276-F290 HydrophobicContact CB-CZ 4.23Å; I276-F290 HydrophobicContact CD1-CE2 4.25Å; I276-F290 HydrophobicContact CD1-CZ 3.72Å; I276-F290 HydrophobicContact CG2-CE2 3.8Å; I276-F290 HydrophobicContact CG2-CZ 3.96Å |
| 277 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67 | -36.8 | 179.9 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | P189 G192 M273 A274 M279 G280 F290 | P189-C277 VanDerWaalsContact CB-O 3.3Å; P189-C277 WeakPolarHBondContact CB-O 3.45Å; P189-C277 WeakPolarHBondContact O-CB 3.3Å; G192-C277 VanDerWaalsContact C-SG 3.55Å; M273-C277 PolarHBondContact O-N 3.23Å; M273-C277 PolarHBondContact O-SG 3.23Å; M273-C277 VanDerWaalsContact O-SG 3.35Å; A274-C277 PolarHBondContact O-N 2.84Å; C277-M279 PolarHBondContact O-N 3.47Å; C277-G280 PolarHBondContact O-N 2.83Å; C277-G280 VanDerWaalsContact O-N 3.17Å; C277-F290 VanDerWaalsContact SG-CD2 3.5Å |
| 278 | N | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -53.4 | -54.6 | 177.7 | -179.7 | -65.6 | 0 | 0 | 0 | 110.9 | H187 N190 A274 T275 I276 G280 A281 C379 T380 N467 | H187-N278 PolarHBondContact CD2-O 3.43Å; H187-N278 PolarHBondContact CD2-OD1 2.93Å; H187-N278 VanDerWaalsContact CD2-OD1 3.22Å; N190-N278 HydrophobicContact CB-CB 3.91Å; A274-N278 WeakPolarHBondContact O-CB 3.49Å; A274-N278 PolarHBondContact O-N 2.91Å; T275-N278 PolarHBondContact O-N 3.39Å; I276-N278 PolarHBondContact O-N 3.26Å; N278-G280 PolarHBondContact O-N 3.2Å; N278-A281 WeakPolarHBondContact O-CB 3.43Å; N278-A281 PolarHBondContact O-N 2.93Å; N278-C379 PolarHBondContact ND2-SG 3.41Å; N278-T380 HydrophobicContact CB-CG2 4.42Å; N278-T380 PolarHBondContact OD1-OG1 2.67Å; N278-N467 PolarHBondContact OD1-ND2 3.14Å |
| 279 | M | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -80.8 | -0.6 | -175.3 | -168 | 177.6 | -175.5 | 0 | 0 | 113 | K238 I241 L242 T275 C277 A281 E282 P349 N467 V484 | K238-M279 HydrophobicContact CD-SD 4.12Å; K238-M279 WeakPolarHBondContact CE-SD 3.36Å; I241-M279 HydrophobicContact CB-CB 4.43Å; I241-M279 HydrophobicContact CG1-CB 3.61Å; I241-M279 HydrophobicContact CG1-CG 3.99Å; I241-M279 HydrophobicContact CG2-CB 3.95Å; I241-M279 HydrophobicContact CG2-CG 4.43Å; I241-M279 HydrophobicContact CG2-SD 4.12Å; L242-M279 HydrophobicContact CD2-CE 3.49Å; L242-M279 VanDerWaalsContact CD2-CE 3.49Å; L242-M279 HydrophobicContact CD2-SD 3.69Å; T275-M279 PolarHBondContact O-N 3.49Å; C277-M279 PolarHBondContact O-N 3.47Å; M279-A281 PolarHBondContact O-N 3.02Å; M279-E282 WeakPolarHBondContact CA-OE2 2.84Å; M279-E282 HydrophobicContact CG-CB 4.21Å; M279-E282 HydrophobicContact CG-CG 4.25Å; M279-E282 WeakPolarHBondContact O-CB 3.29Å; M279-E282 PolarHBondContact O-N 3.1Å; M279-E282 VanDerWaalsContact O-N 3.08Å; M279-P349 HydrophobicContact CE-CB 3.87Å; M279-N467 HydrophobicContact CB-CB 4.21Å; M279-N467 WeakPolarHBondContact CE-O 3.02Å; M279-N467 HydrophobicContact CG-CB 3.9Å; M279-N467 HydrophobicContact SD-CB 4.3Å; M279-V484 HydrophobicContact CE-CG2 3.85Å |
| 280 | G | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | G | 310 helix | trans | -58.5 | -20.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I276 C277 N278 E282 I283 A285 | I276-G280 PolarHBondContact O-N 3.49Å; C277-G280 PolarHBondContact O-N 2.83Å; C277-G280 VanDerWaalsContact O-N 3.17Å; N278-G280 PolarHBondContact O-N 3.2Å; G280-E282 VanDerWaalsContact C-N 3.27Å; G280-E282 PolarHBondContact O-N 3.26Å; G280-I283 WeakPolarHBondContact O-CG1 3.43Å; G280-I283 PolarHBondContact O-N 2.96Å; G280-A285 VanDerWaalsContact O-CB 3.28Å; G280-A285 WeakPolarHBondContact O-CB 3.16Å; G280-A285 PolarHBondContact O-N 3.4Å |
| 281 | A | 97.4 | Very high | 98.5 | Very high | 17 Ų | 17 | 4.7 Ų | 4.7 | 14% | 0.14 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -62.8 | -32.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S186 N278 M279 I283 G284 | S186-A281 VanDerWaalsContact O-CB 3.29Å; S186-A281 WeakPolarHBondContact O-CB 3.37Å; N278-A281 WeakPolarHBondContact O-CB 3.43Å; N278-A281 PolarHBondContact O-N 2.93Å; M279-A281 PolarHBondContact O-N 3.02Å; A281-I283 VanDerWaalsContact C-N 3.29Å; A281-I283 PolarHBondContact O-N 3.37Å; A281-G284 PolarHBondContact O-N 3.12Å; A281-G284 VanDerWaalsContact O-N 3.16Å |
| 282 | E | 97.1 | Very high | 98.5 | Very high | 5 Ų | 5 | 4.5 Ų | 4.5 | 2% | 0.023 | 4% | 0.035 | C | C | . | . | G | 310 helix | trans | -73.4 | -18.2 | -176 | -85.7 | 53.7 | -130.1 | 0 | 0 | 113.7 | H187 V250 M279 G280 P349 R468 | H187-E282 IonicContact CD2-OE2 3.4Å; H187-E282 IonicContact CE1-OE1 3.34Å; H187-E282 PolarHBondContact CE1-OE1 3Å; H187-E282 VanDerWaalsContact NE2-CD 3.26Å; H187-E282 IonicContact NE2-OE1 2.73Å; H187-E282 PolarHBondContact NE2-OE1 2.77Å; H187-E282 IonicContact NE2-OE2 3.51Å; H187-E282 PolarHBondContact NE2-OE2 3.3Å; V250-E282 WeakPolarHBondContact CA-O 3.48Å; M279-E282 WeakPolarHBondContact CA-OE2 2.84Å; M279-E282 HydrophobicContact CG-CB 4.21Å; M279-E282 HydrophobicContact CG-CG 4.25Å; M279-E282 WeakPolarHBondContact O-CB 3.29Å; M279-E282 PolarHBondContact O-N 3.1Å; M279-E282 VanDerWaalsContact O-N 3.08Å; G280-E282 VanDerWaalsContact C-N 3.27Å; G280-E282 PolarHBondContact O-N 3.26Å; E282-P349 HydrophobicContact CB-CB 3.94Å; E282-P349 HydrophobicContact CB-CG 3.67Å; E282-P349 HydrophobicContact CG-CB 3.78Å; E282-P349 HydrophobicContact CG-CG 3.67Å; E282-R468 IonicContact OE1-CZ 2.74Å; E282-R468 IonicContact OE1-NE 3.5Å; E282-R468 PolarHBondContact OE1-NE 2.95Å; E282-R468 VanDerWaalsContact OE1-NE 3.15Å; E282-R468 IonicContact OE1-NH2 3.88Å; E282-R468 PolarHBondContact OE1-NH2 3.08Å |
| 283 | I | 98 | Very high | 98.5 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | G | 310 helix | trans | -93.3 | 4.5 | 172.8 | 58.7 | 166.5 | 0 | 0 | 0 | 113 | V244 A245 L248 T249 V250 G253 V258 G280 A281 A285 | V244-I283 HydrophobicContact CG1-CD1 4.18Å; A245-I283 HydrophobicContact CB-CG2 3.88Å; L248-I283 HydrophobicContact CB-CB 4.4Å; L248-I283 HydrophobicContact CB-CG2 4.26Å; L248-I283 HydrophobicContact CD1-CD1 3.58Å; T249-I283 WeakPolarHBondContact O-CA 3.38Å; T249-I283 WeakPolarHBondContact O-CB 3.5Å; T249-I283 WeakPolarHBondContact O-CG2 3.49Å; V250-I283 CarbonylContact O-C 3.49Å; G253-I283 WeakPolarHBondContact CA-O 3.38Å; G253-I283 PolarHBondContact N-O 3.07Å; V258-I283 HydrophobicContact CG2-CD1 3.75Å; G280-I283 WeakPolarHBondContact O-CG1 3.43Å; G280-I283 PolarHBondContact O-N 2.96Å; A281-I283 VanDerWaalsContact C-N 3.29Å; A281-I283 PolarHBondContact O-N 3.37Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 HydrophobicContact CD1-CB 4.24Å; I283-A285 HydrophobicContact CG1-CB 4.13Å |
| 284 | G | 96.7 | Very high | 98.4 | Very high | 22 Ų | 22 | 9.1 Ų | 9.1 | 23% | 0.227 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 11.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G253 T254 A281 | G253-G284 CarbonylContact C-O 3.47Å; T254-G284 WeakPolarHBondContact CA-O 3.37Å; A281-G284 PolarHBondContact O-N 3.12Å; A281-G284 VanDerWaalsContact O-N 3.16Å |
| 285 | A | 98.4 | Very high | 98.4 | Very high | 12 Ų | 12 | 12 Ų | 12 | 10% | 0.099 | 7% | 0.07 | C | C | . | . | B | Isolated β-bridge | trans | -60.2 | 145.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G253 V258 G280 I283 T287 | G253-A285 WeakPolarHBondContact O-CA 3.45Å; V258-A285 HydrophobicContact CG2-CB 3.97Å; G280-A285 VanDerWaalsContact O-CB 3.28Å; G280-A285 WeakPolarHBondContact O-CB 3.16Å; G280-A285 PolarHBondContact O-N 3.4Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 HydrophobicContact CD1-CB 4.24Å; I283-A285 HydrophobicContact CG1-CB 4.13Å; A285-T287 VanDerWaalsContact C-N 3.3Å |
| 286 | T | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 11.8 Ų | 11.8 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -62.2 | -43.1 | 173 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | I199 L217 P220 A256 I257 | I199-T286 HydrophobicContact CD1-CG2 4.1Å; I199-T286 HydrophobicContact CG1-CG2 4.31Å; I199-T286 HydrophobicContact CG2-CG2 4.07Å; L217-T286 HydrophobicContact CD1-CG2 3.91Å; L217-T286 HydrophobicContact CD2-CG2 4.31Å; P220-T286 HydrophobicContact CG-CG2 4.26Å; A256-T286 WeakPolarHBondContact O-CB 3.36Å; A256-T286 PolarHBondContact O-N 3.19Å; A256-T286 PolarHBondContact O-OG1 2.95Å; I257-T286 HydrophobicContact CG1-CG2 4.48Å |
| 287 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 179.6 | 167.1 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | L197 C198 I199 I257 V258 A285 | L197-T287 HydrophobicContact CB-CG2 4.48Å; L197-T287 HydrophobicContact CD2-CG2 3.67Å; C198-T287 PolarHBondContact O-OG1 2.85Å; I199-T287 HydrophobicContact CD1-CG2 4.19Å; I199-T287 HydrophobicContact CG1-CG2 3.67Å; I257-T287 WeakPolarHBondContact CA-O 3.4Å; I257-T287 HydrophobicContact CD1-CG2 3.84Å; I257-T287 HydrophobicContact CG1-CG2 3.81Å; I257-T287 HydrophobicContact CG2-CG2 4.08Å; V258-T287 PolarHBondContact N-O 3.21Å; A285-T287 VanDerWaalsContact C-N 3.3Å |
| 288 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157.4 | 169.6 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | G192 V258 | G192-S288 WeakPolarHBondContact CA-O 3.27Å; V258-S288 CarbonylContact O-C 3.55Å; V258-S288 WeakPolarHBondContact O-CA 3.07Å |
| 289 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 144.2 | -179 | -169.8 | 164.6 | 0 | 0 | 0 | 112.7 | L58 A59 V62 L197 I257 V258 E259 Y260 | L58-I289 HydrophobicContact CD2-CD1 3.83Å; L58-I289 HydrophobicContact CD2-CG1 3.83Å; L58-I289 HydrophobicContact CD2-CG2 4.44Å; L58-I289 HydrophobicContact CG-CD1 3.84Å; L58-I289 HydrophobicContact CG-CG1 4.34Å; A59-I289 HydrophobicContact CB-CG2 4.38Å; V62-I289 HydrophobicContact CG2-CD1 4.23Å; L197-I289 HydrophobicContact CD2-CB 3.9Å; L197-I289 HydrophobicContact CD2-CD1 3.61Å; L197-I289 HydrophobicContact CD2-CG1 4.31Å; L197-I289 HydrophobicContact CD2-CG2 4.1Å; L197-I289 HydrophobicContact CG-CD1 3.93Å; I257-I289 HydrophobicContact CG2-CG2 4.18Å; V258-I289 PolarHBondContact O-N 2.83Å; E259-I289 HydrophobicContact CB-CG2 4.21Å; E259-I289 HydrophobicContact CG-CG2 4.09Å; Y260-I289 PolarHBondContact N-O 2.82Å |
| 290 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -110.2 | 150.6 | 166.8 | -81.6 | -97.6 | 0 | 0 | 0 | 111.4 | L58 G192 G195 L227 Y260 V265 I268 M273 I276 C277 M296 | L58-F290 WeakPolarHBondContact CD2-O 3.46Å; G192-F290 PolarHBondContact O-N 3.49Å; G192-F290 VanDerWaalsContact O-N 3.17Å; G195-F290 WeakPolarHBondContact CA-O 3.28Å; L227-F290 HydrophobicContact CD1-CE1 3.99Å; L227-F290 HydrophobicContact CD1-CZ 4.29Å; Y260-F290 VanDerWaalsContact CB-CZ 3.49Å; Y260-F290 HydrophobicContact CD1-CE1 4.28Å; Y260-F290 HydrophobicContact CD1-CE2 4.26Å; Y260-F290 AromaticContact CD1-CZ 3.74Å; Y260-F290 HydrophobicContact CD1-CZ 3.74Å; Y260-F290 AromaticContact CD2-CD2 3.8Å; Y260-F290 HydrophobicContact CD2-CD2 3.8Å; Y260-F290 HydrophobicContact CD2-CE1 4.36Å; Y260-F290 AromaticContact CD2-CE2 3.33Å; Y260-F290 HydrophobicContact CD2-CE2 3.33Å; Y260-F290 HydrophobicContact CD2-CG 4.47Å; Y260-F290 AromaticContact CD2-CZ 3.66Å; Y260-F290 HydrophobicContact CD2-CZ 3.66Å; Y260-F290 HydrophobicContact CE1-CZ 4.41Å; Y260-F290 AromaticContact CE2-CE2 3.91Å; Y260-F290 HydrophobicContact CE2-CE2 3.91Å; Y260-F290 HydrophobicContact CE2-CZ 4.35Å; Y260-F290 HydrophobicContact CG-CD1 4.31Å; Y260-F290 HydrophobicContact CG-CD2 4.16Å; Y260-F290 AromaticContact CG-CE1 3.75Å; Y260-F290 HydrophobicContact CG-CE1 3.75Å; Y260-F290 AromaticContact CG-CE2 3.56Å; Y260-F290 HydrophobicContact CG-CE2 3.56Å; Y260-F290 AromaticContact CG-CZ 3.32Å; Y260-F290 HydrophobicContact CG-CZ 3.32Å; V265-F290 HydrophobicContact CB-CD1 4.49Å; V265-F290 HydrophobicContact CG1-CD1 3.77Å; V265-F290 HydrophobicContact CG1-CE1 4.31Å; V265-F290 HydrophobicContact CG2-CD1 4.09Å; V265-F290 HydrophobicContact CG2-CE1 4.08Å; I268-F290 HydrophobicContact CD1-CE1 4.17Å; I268-F290 HydrophobicContact CD1-CZ 4.41Å; M273-F290 HydrophobicContact CB-CB 4.42Å; M273-F290 HydrophobicContact CB-CD1 4.33Å; M273-F290 HydrophobicContact CB-CD2 3.59Å; M273-F290 HydrophobicContact CB-CE2 3.82Å; M273-F290 HydrophobicContact CB-CG 3.86Å; M273-F290 HydrophobicContact CB-CZ 4.29Å; M273-F290 HydrophobicContact CE-CD1 4.34Å; M273-F290 HydrophobicContact CG-CB 4.31Å; M273-F290 HydrophobicContact CG-CD1 3.69Å; M273-F290 HydrophobicContact CG-CD2 3.89Å; M273-F290 HydrophobicContact CG-CE1 3.86Å; M273-F290 HydrophobicContact CG-CE2 4.07Å; M273-F290 HydrophobicContact CG-CG 3.7Å; M273-F290 HydrophobicContact CG-CZ 4.06Å; M273-F290 HydrophobicContact SD-CB 3.74Å; M273-F290 HydrophobicContact SD-CD1 3.79Å; M273-F290 HydrophobicContact SD-CD2 4.44Å; M273-F290 HydrophobicContact SD-CE1 4.49Å; M273-F290 HydrophobicContact SD-CG 3.74Å; I276-F290 HydrophobicContact CB-CE2 3.96Å; I276-F290 HydrophobicContact CB-CZ 4.23Å; I276-F290 HydrophobicContact CD1-CE2 4.25Å; I276-F290 HydrophobicContact CD1-CZ 3.72Å; I276-F290 HydrophobicContact CG2-CE2 3.8Å; I276-F290 HydrophobicContact CG2-CZ 3.96Å; C277-F290 VanDerWaalsContact SG-CD2 3.5Å; F290-M296 HydrophobicContact CB-CE 3.54Å | ||
| 291 | P | 98.8 | Very high | 98.3 | Very high | 23 Ų | 23 | 21.5 Ų | 21.5 | 15% | 0.149 | 11% | 0.112 | C | C | . | . | trans | -69.9 | 147 | 174.2 | 29.8 | -36.2 | 0 | 0 | 0 | 112.1 | L58 Y260 V265 N293 M296 T321 | L58-P291 VanDerWaalsContact CD2-CA 3.47Å; L58-P291 HydrophobicContact CD2-CB 4.08Å; Y260-P291 WeakPolarHBondContact O-CD 3.49Å; V265-P291 HydrophobicContact CG1-CG 4.14Å; P291-N293 PolarHBondContact O-N 2.82Å; P291-M296 WeakPolarHBondContact O-CE 3.23Å; P291-T321 HydrophobicContact CB-CG2 4.33Å | ||
| 292 | F | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | trans | -61.6 | 123.5 | 177.9 | 179.8 | -115.8 | 0 | 0 | 0 | 111.5 | P177 M296 L297 L300 A312 K316 L320 | P177-F292 HydrophobicContact CB-CB 4.24Å; P177-F292 HydrophobicContact CB-CD2 3.76Å; P177-F292 HydrophobicContact CB-CE2 4.39Å; P177-F292 HydrophobicContact CB-CG 4.09Å; P177-F292 HydrophobicContact CG-CD2 3.29Å; P177-F292 HydrophobicContact CG-CE2 3.55Å; P177-F292 HydrophobicContact CG-CG 4.1Å; F292-M296 HydrophobicContact CD2-CB 3.88Å; F292-M296 HydrophobicContact CD2-SD 3.98Å; F292-M296 HydrophobicContact CE2-CB 3.92Å; F292-L297 HydrophobicContact CZ-CB 4.28Å; F292-L300 HydrophobicContact CE2-CD1 4.27Å; F292-A312 HydrophobicContact CD1-CB 4.36Å; F292-A312 HydrophobicContact CE1-CB 3.89Å; F292-A312 HydrophobicContact CE2-CB 4.16Å; F292-A312 HydrophobicContact CZ-CB 3.78Å; F292-K316 HydrophobicContact CD1-CB 4.21Å; F292-K316 HydrophobicContact CD1-CD 4.12Å; F292-K316 HydrophobicContact CD1-CG 4.12Å; F292-K316 WeakPolarHBondContact O-CE 3.2Å; F292-K316 PolarHBondContact O-NZ 3.12Å; F292-L320 HydrophobicContact CB-CB 3.72Å; F292-L320 HydrophobicContact CB-CD1 4.3Å; F292-L320 HydrophobicContact CD1-CD1 4.15Å; F292-L320 HydrophobicContact CG-CD1 4.26Å; F292-L320 PolarHBondContact N-O 3.46Å; F292-L320 VanDerWaalsContact N-O 3.12Å | ||
| 293 | N | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -141.6 | -179.4 | -178.8 | 75.6 | -4.9 | 0 | 0 | 0 | 112.9 | E266 M273 P291 R295 M296 L297 | E266-N293 WeakPolarHBondContact OE2-CB 3.39Å; E266-N293 PolarHBondContact OE2-ND2 3.12Å; M273-N293 WeakPolarHBondContact CE-ND2 3.26Å; P291-N293 PolarHBondContact O-N 2.82Å; N293-R295 PolarHBondContact O-N 2.94Å; N293-R295 PolarHBondContact OD1-N 3.47Å; N293-M296 WeakPolarHBondContact O-CB 2.96Å; N293-M296 PolarHBondContact O-N 3.24Å; N293-M296 VanDerWaalsContact O-N 3.14Å; N293-M296 PolarHBondContact OD1-N 2.53Å; N293-L297 PolarHBondContact O-N 3.18Å | ||
| 294 | D | 98.1 | Very high | 98.3 | Very high | 99 Ų | 99 | 29 Ų | 29 | 53% | 0.529 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.2 | -27.2 | -172.5 | -63.6 | -12.1 | 0 | 0 | 0 | 112 | M296 L297 D298 | D294-M296 VanDerWaalsContact C-N 3.32Å; D294-M296 PolarHBondContact O-N 3.04Å; D294-L297 WeakPolarHBondContact O-CB 3.25Å; D294-L297 PolarHBondContact O-N 3.36Å; D294-L297 VanDerWaalsContact O-N 3.17Å; D294-D298 VanDerWaalsContact O-CG 3.31Å; D294-D298 PolarHBondContact O-N 2.8Å |
| 295 | R | 98.3 | Very high | 98.4 | Very high | 61 Ų | 61 | 28.8 Ų | 28.8 | 23% | 0.23 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.2 | -34.1 | 176.1 | -48.9 | -57.3 | -63.7 | -77.2 | 0.6 | 111.9 | E266 S267 I268 M273 N293 Y299 | E266-R295 PolarHBondContact O-NH1 3.33Å; S267-R295 PolarHBondContact O-NH1 2.96Å; I268-R295 WeakPolarHBondContact O-CG 3.28Å; I268-R295 PolarHBondContact O-NH1 3.19Å; M273-R295 HydrophobicContact CE-CB 4.45Å; N293-R295 PolarHBondContact O-N 2.94Å; N293-R295 PolarHBondContact OD1-N 3.47Å; R295-Y299 PolarHBondContact O-N 2.88Å |
| 296 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.1 | -38.6 | 171.3 | -63.6 | -176.4 | -166.1 | 0 | 0 | 111.6 | G193 L194 M273 F290 P291 F292 N293 D294 Y299 L300 | G193-M296 WeakPolarHBondContact O-CE 3.49Å; L194-M296 VanDerWaalsContact C-SD 3.51Å; L194-M296 HydrophobicContact CD1-CB 3.79Å; L194-M296 HydrophobicContact CD1-CG 4.08Å; M273-M296 HydrophobicContact SD-CE 3.57Å; M273-M296 VanDerWaalsContact SD-CE 3.57Å; F290-M296 HydrophobicContact CB-CE 3.54Å; P291-M296 WeakPolarHBondContact O-CE 3.23Å; F292-M296 HydrophobicContact CD2-CB 3.88Å; F292-M296 HydrophobicContact CD2-SD 3.98Å; F292-M296 HydrophobicContact CE2-CB 3.92Å; N293-M296 WeakPolarHBondContact O-CB 2.96Å; N293-M296 PolarHBondContact O-N 3.24Å; N293-M296 VanDerWaalsContact O-N 3.14Å; N293-M296 PolarHBondContact OD1-N 2.53Å; D294-M296 VanDerWaalsContact C-N 3.32Å; D294-M296 PolarHBondContact O-N 3.04Å; M296-Y299 PolarHBondContact O-N 3.33Å; M296-L300 WeakPolarHBondContact O-CG 3.24Å; M296-L300 PolarHBondContact O-N 3.29Å |
| 297 | L | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176 | 179.6 | 59 | 0 | 0 | 0 | 111.9 | F292 N293 D294 Y299 L300 R301 | F292-L297 HydrophobicContact CZ-CB 4.28Å; N293-L297 PolarHBondContact O-N 3.18Å; D294-L297 WeakPolarHBondContact O-CB 3.25Å; D294-L297 PolarHBondContact O-N 3.36Å; D294-L297 VanDerWaalsContact O-N 3.17Å; L297-Y299 VanDerWaalsContact C-N 3.31Å; L297-Y299 PolarHBondContact O-N 2.74Å; L297-L300 PolarHBondContact O-N 3.33Å; L297-R301 WeakPolarHBondContact O-CG 3.43Å; L297-R301 PolarHBondContact O-N 3.42Å |
| 298 | D | 98.2 | Very high | 98.2 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 38% | 0.38 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 175.3 | -69.8 | -21.9 | 0 | 0 | 0 | 111.4 | D294 R301 A302 L526 | D294-D298 VanDerWaalsContact O-CG 3.31Å; D294-D298 PolarHBondContact O-N 2.8Å; D298-R301 PolarHBondContact O-N 3.34Å; D298-A302 WeakPolarHBondContact O-CB 3.49Å; D298-A302 PolarHBondContact O-N 3.39Å; D298-L526 HydrophobicContact CB-CD1 4.21Å |
| 299 | Y | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 177.1 | -173.4 | -91.9 | 0 | 0 | 0 | 112.5 | L171 E172 L194 C270 T271 R295 M296 L297 R301 A302 T303 L526 | L171-Y299 HydrophobicContact CG-CE1 4.05Å; E172-Y299 VanDerWaalsContact CG-OH 3.31Å; E172-Y299 WeakPolarHBondContact CG-OH 3.42Å; L194-Y299 HydrophobicContact CD1-CD1 4.01Å; L194-Y299 HydrophobicContact CD2-CD1 4.34Å; L194-Y299 HydrophobicContact CD2-CE1 4.49Å; C270-Y299 HydrophobicContact CB-CD2 4.23Å; C270-Y299 HydrophobicContact CB-CG 3.93Å; T271-Y299 HydrophobicContact CG2-CD2 4.11Å; T271-Y299 HydrophobicContact CG2-CE2 3.58Å; R295-Y299 PolarHBondContact O-N 2.88Å; M296-Y299 PolarHBondContact O-N 3.33Å; L297-Y299 VanDerWaalsContact C-N 3.31Å; L297-Y299 PolarHBondContact O-N 2.74Å; Y299-R301 VanDerWaalsContact C-N 3.32Å; Y299-R301 PolarHBondContact O-N 2.75Å; Y299-A302 PolarHBondContact O-N 3.06Å; Y299-T303 HydrophobicContact CD1-CG2 4.28Å; Y299-T303 HydrophobicContact CE1-CG2 3.83Å; Y299-T303 HydrophobicContact CE2-CG2 4.32Å; Y299-T303 PolarHBondContact O-N 2.89Å; Y299-T303 PolarHBondContact O-OG1 2.99Å; Y299-L526 HydrophobicContact CD2-CD2 3.85Å; Y299-L526 HydrophobicContact CE2-CD2 4.4Å |
| 300 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 174.6 | -75.9 | 169.1 | 0 | 0 | 0 | 111.1 | P177 L194 F292 M296 L297 T303 N304 R305 M308 | P177-L300 HydrophobicContact CG-CD1 4.24Å; L194-L300 HydrophobicContact CD1-CD2 4.44Å; L194-L300 HydrophobicContact CD1-CG 4.15Å; L194-L300 HydrophobicContact CD2-CD2 4.01Å; F292-L300 HydrophobicContact CE2-CD1 4.27Å; M296-L300 WeakPolarHBondContact O-CG 3.24Å; M296-L300 PolarHBondContact O-N 3.29Å; L297-L300 PolarHBondContact O-N 3.33Å; L300-T303 CarbonylContact O-C 3.42Å; L300-T303 PolarHBondContact O-N 3.2Å; L300-T303 PolarHBondContact O-OG1 3.37Å; L300-N304 PolarHBondContact O-N 2.89Å; L300-R305 HydrophobicContact CB-CB 4.32Å; L300-R305 HydrophobicContact CD2-CB 3.89Å; L300-R305 CarbonylContact O-C 3.57Å; L300-R305 WeakPolarHBondContact O-CA 3.38Å; L300-R305 WeakPolarHBondContact O-CB 3.31Å; L300-R305 PolarHBondContact O-N 2.95Å; L300-M308 HydrophobicContact CD2-SD 3.93Å |
| 301 | R | 97.9 | Very high | 98 | Very high | 114 Ų | 114 | 38.9 Ų | 38.9 | 43% | 0.43 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 175.6 | -73 | 173 | 176 | 158.3 | 0.9 | 112.1 | L297 D298 Y299 T303 N304 A306 D310 | L297-R301 WeakPolarHBondContact O-CG 3.43Å; L297-R301 PolarHBondContact O-N 3.42Å; D298-R301 PolarHBondContact O-N 3.34Å; Y299-R301 VanDerWaalsContact C-N 3.32Å; Y299-R301 PolarHBondContact O-N 2.75Å; R301-T303 PolarHBondContact O-N 3.13Å; R301-N304 PolarHBondContact O-N 2.81Å; R301-N304 VanDerWaalsContact O-N 3.07Å; R301-A306 HydrophobicContact CG-CB 3.86Å; R301-D310 IonicContact NH2-OD1 2.88Å; R301-D310 PolarHBondContact NH2-OD1 2.84Å |
| 302 | A | 98.1 | Very high | 98 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 24% | 0.24 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -27.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D298 Y299 L526 F531 | D298-A302 WeakPolarHBondContact O-CB 3.49Å; D298-A302 PolarHBondContact O-N 3.39Å; Y299-A302 PolarHBondContact O-N 3.06Å; A302-L526 HydrophobicContact CB-CD1 3.92Å; A302-L526 HydrophobicContact CB-CD2 4.11Å; A302-L526 HydrophobicContact CB-CG 4.49Å; A302-F531 HydrophobicContact CB-CD2 4.41Å; A302-F531 HydrophobicContact CB-CE2 4.05Å; A302-F531 WeakPolarHBondContact O-CD2 3.37Å |
| 303 | T | 97.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 20.7 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | Y299 L300 R301 R305 F531 | Y299-T303 HydrophobicContact CD1-CG2 4.28Å; Y299-T303 HydrophobicContact CE1-CG2 3.83Å; Y299-T303 HydrophobicContact CE2-CG2 4.32Å; Y299-T303 PolarHBondContact O-N 2.89Å; Y299-T303 PolarHBondContact O-OG1 2.99Å; L300-T303 CarbonylContact O-C 3.42Å; L300-T303 PolarHBondContact O-N 3.2Å; L300-T303 PolarHBondContact O-OG1 3.37Å; R301-T303 PolarHBondContact O-N 3.13Å; T303-R305 PolarHBondContact O-N 3.48Å; T303-R305 PolarHBondContact OG1-NE 2.84Å; T303-R305 PolarHBondContact OG1-NH2 3.09Å; T303-F531 HydrophobicContact CG2-CD2 4.35Å; T303-F531 HydrophobicContact CG2-CE2 4.12Å |
| 304 | N | 96.7 | Very high | 97.9 | Very high | 139 Ų | 139 | 47.8 Ų | 47.8 | 74% | 0.743 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 38.2 | 176.6 | -58 | -48.7 | 0 | 0 | 0 | 114.7 | L300 R301 | L300-N304 PolarHBondContact O-N 2.89Å; R301-N304 PolarHBondContact O-N 2.81Å; R301-N304 VanDerWaalsContact O-N 3.07Å |
| 305 | R | 97.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 44 Ų | 44 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | trans | -126.8 | 38.3 | 178.9 | -64.3 | 176.8 | -70.5 | 168.2 | -3.4 | 111.8 | L171 E172 A175 L300 T303 D307 M308 G309 | L171-R305 PolarHBondContact O-NH1 3.36Å; L171-R305 PolarHBondContact O-NH2 2.82Å; E172-R305 PolarHBondContact O-NE 3.29Å; E172-R305 PolarHBondContact O-NH2 2.94Å; A175-R305 PolarHBondContact O-NH1 3.48Å; L300-R305 HydrophobicContact CB-CB 4.32Å; L300-R305 HydrophobicContact CD2-CB 3.89Å; L300-R305 CarbonylContact O-C 3.57Å; L300-R305 WeakPolarHBondContact O-CA 3.38Å; L300-R305 WeakPolarHBondContact O-CB 3.31Å; L300-R305 PolarHBondContact O-N 2.95Å; T303-R305 PolarHBondContact O-N 3.48Å; T303-R305 PolarHBondContact OG1-NE 2.84Å; T303-R305 PolarHBondContact OG1-NH2 3.09Å; R305-D307 VanDerWaalsContact C-N 3.33Å; R305-D307 PolarHBondContact O-N 3.46Å; R305-M308 HydrophobicContact CB-CB 4.4Å; R305-M308 PolarHBondContact O-N 3.28Å; R305-G309 PolarHBondContact O-N 3.47Å; R305-G309 VanDerWaalsContact O-N 3.12Å | ||
| 306 | A | 97.3 | Very high | 97.9 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 31% | 0.314 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -38.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R301 M308 G309 D310 | R301-A306 HydrophobicContact CG-CB 3.86Å; A306-M308 VanDerWaalsContact C-N 3.35Å; A306-M308 PolarHBondContact O-N 3.36Å; A306-G309 PolarHBondContact O-N 3Å; A306-D310 VanDerWaalsContact O-CG 3.27Å; A306-D310 PolarHBondContact O-N 3.07Å |
| 307 | D | 97 | Very high | 97.7 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 176.2 | 58.5 | -23.5 | 0 | 0 | 0 | 112.7 | V26 R305 L311 | V26-D307 HydrophobicContact CG2-CB 4.35Å; R305-D307 VanDerWaalsContact C-N 3.33Å; R305-D307 PolarHBondContact O-N 3.46Å; D307-L311 WeakPolarHBondContact O-CB 3.43Å; D307-L311 PolarHBondContact O-N 3.44Å |
| 308 | M | 97.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 172.4 | 176.4 | -176.7 | -78.3 | 0 | 0 | 112.2 | V26 A27 L28 L36 F176 L300 R305 A306 L311 A312 | V26-M308 HydrophobicContact CG1-CB 3.89Å; A27-M308 WeakPolarHBondContact O-CE 3.22Å; L28-M308 WeakPolarHBondContact O-CE 3.42Å; L36-M308 HydrophobicContact CD2-CG 4.25Å; F176-M308 HydrophobicContact CB-CE 3.88Å; F176-M308 HydrophobicContact CB-CG 4.26Å; F176-M308 HydrophobicContact CB-SD 3.28Å; F176-M308 WeakPolarHBondContact CB-SD 3.44Å; F176-M308 HydrophobicContact CD1-CE 4.42Å; F176-M308 HydrophobicContact CG-CE 4.23Å; F176-M308 HydrophobicContact CG-SD 4.23Å; L300-M308 HydrophobicContact CD2-SD 3.93Å; R305-M308 HydrophobicContact CB-CB 4.4Å; R305-M308 PolarHBondContact O-N 3.28Å; A306-M308 VanDerWaalsContact C-N 3.35Å; A306-M308 PolarHBondContact O-N 3.36Å; M308-L311 PolarHBondContact O-N 2.88Å; M308-A312 WeakPolarHBondContact O-CB 3.34Å; M308-A312 PolarHBondContact O-N 2.88Å |
| 309 | G | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R305 A306 L311 A312 S313 | R305-G309 PolarHBondContact O-N 3.47Å; R305-G309 VanDerWaalsContact O-N 3.12Å; A306-G309 PolarHBondContact O-N 3Å; G309-L311 VanDerWaalsContact C-N 3.31Å; G309-L311 PolarHBondContact O-N 2.83Å; G309-A312 PolarHBondContact O-N 3.04Å; G309-S313 PolarHBondContact O-N 3.45Å; G309-S313 PolarHBondContact O-OG 2.69Å |
| 310 | D | 97.8 | Very high | 97.6 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 40% | 0.401 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 179.4 | -67.1 | -18.9 | 0 | 0 | 0 | 112 | R301 A306 | R301-D310 IonicContact NH2-OD1 2.88Å; R301-D310 PolarHBondContact NH2-OD1 2.84Å; A306-D310 VanDerWaalsContact O-CG 3.27Å; A306-D310 PolarHBondContact O-N 3.07Å |
| 311 | L | 97.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.4 | -49.8 | 171.4 | -179.7 | 60.4 | 0 | 0 | 0 | 110.8 | V26 L36 Y38 D307 M308 G309 S313 K314 H315 | V26-L311 HydrophobicContact CB-CD2 3.86Å; V26-L311 HydrophobicContact CG2-CB 4.21Å; V26-L311 HydrophobicContact CG2-CD2 3.73Å; L36-L311 HydrophobicContact CB-CD2 4.46Å; L36-L311 HydrophobicContact CD2-CD2 4.08Å; L36-L311 HydrophobicContact CG-CD2 4.19Å; Y38-L311 HydrophobicContact CD2-CD1 4.45Å; Y38-L311 HydrophobicContact CD2-CD2 4.06Å; Y38-L311 HydrophobicContact CD2-CG 3.8Å; Y38-L311 HydrophobicContact CE2-CD2 4.25Å; Y38-L311 HydrophobicContact CE2-CG 3.95Å; D307-L311 WeakPolarHBondContact O-CB 3.43Å; D307-L311 PolarHBondContact O-N 3.44Å; M308-L311 PolarHBondContact O-N 2.88Å; G309-L311 VanDerWaalsContact C-N 3.31Å; G309-L311 PolarHBondContact O-N 2.83Å; L311-S313 VanDerWaalsContact C-N 3.27Å; L311-S313 PolarHBondContact O-N 2.78Å; L311-K314 WeakPolarHBondContact O-CB 3.47Å; L311-K314 PolarHBondContact O-N 3.28Å; L311-H315 PolarHBondContact O-CD2 2.96Å |
| 312 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.2 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y38 P177 F292 M308 G309 K314 H315 K316 L320 | Y38-A312 HydrophobicContact CE2-CB 4.21Å; P177-A312 HydrophobicContact CB-CB 4.13Å; P177-A312 HydrophobicContact CG-CB 4.01Å; F292-A312 HydrophobicContact CD1-CB 4.36Å; F292-A312 HydrophobicContact CE1-CB 3.89Å; F292-A312 HydrophobicContact CE2-CB 4.16Å; F292-A312 HydrophobicContact CZ-CB 3.78Å; M308-A312 WeakPolarHBondContact O-CB 3.34Å; M308-A312 PolarHBondContact O-N 2.88Å; G309-A312 PolarHBondContact O-N 3.04Å; A312-K314 PolarHBondContact O-N 3.36Å; A312-K314 VanDerWaalsContact O-N 3.15Å; A312-H315 CarbonylContact O-C 3.59Å; A312-H315 PolarHBondContact O-N 3.47Å; A312-K316 PolarHBondContact O-N 2.99Å; A312-K316 VanDerWaalsContact O-N 3.09Å; A312-L320 HydrophobicContact CB-CD1 3.74Å; A312-L320 WeakPolarHBondContact O-CD1 3.38Å |
| 313 | S | 98.1 | Very high | 97.6 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 37% | 0.371 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56 | -31.2 | 175.6 | -67.8 | 0 | 0 | 0 | 0 | 113.8 | G309 L311 H315 | G309-S313 PolarHBondContact O-N 3.45Å; G309-S313 PolarHBondContact O-OG 2.69Å; L311-S313 VanDerWaalsContact C-N 3.27Å; L311-S313 PolarHBondContact O-N 2.78Å; S313-H315 VanDerWaalsContact C-N 3.33Å |
| 314 | K | 97.5 | Very high | 97.5 | Very high | 160 Ų | 160 | 49.3 Ų | 49.3 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -72.6 | -26.5 | 177.1 | -62.4 | 171.3 | -173.5 | 170.4 | 0 | 113 | L311 A312 | L311-K314 WeakPolarHBondContact O-CB 3.47Å; L311-K314 PolarHBondContact O-N 3.28Å; A312-K314 PolarHBondContact O-N 3.36Å; A312-K314 VanDerWaalsContact O-N 3.15Å |
| 315 | H | 98 | Very high | 97.5 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 9.7 | -177.6 | -61.3 | -84.8 | 0 | 0 | 0 | 112.9 | Y38 D39 E42 L311 A312 S313 A317 S318 L319 L320 | Y38-H315 HydrophobicContact CD2-CB 4.26Å; Y38-H315 AromaticContact CD2-CD2 3.4Å; Y38-H315 VanDerWaalsContact CD2-CD2 3.4Å; Y38-H315 WeakPolarHBondContact CD2-CD2 3.49Å; Y38-H315 AromaticContact CD2-CG 3.9Å; Y38-H315 HydrophobicContact CG-CB 4.27Å; Y38-H315 AromaticContact CG-CD2 3.84Å; Y38-H315 AromaticContact CG-CG 3.94Å; D39-H315 IonicContact OD1-CE1 3.73Å; D39-H315 PolarHBondContact OD1-CE1 3.23Å; E42-H315 VanDerWaalsContact CD-ND1 3.33Å; E42-H315 IonicContact OE1-CE1 3.51Å; E42-H315 IonicContact OE1-CG 3.55Å; E42-H315 IonicContact OE1-ND1 3.49Å; E42-H315 PolarHBondContact OE1-ND1 3.45Å; E42-H315 IonicContact OE2-ND1 3.9Å; L311-H315 PolarHBondContact O-CD2 2.96Å; A312-H315 CarbonylContact O-C 3.59Å; A312-H315 PolarHBondContact O-N 3.47Å; S313-H315 VanDerWaalsContact C-N 3.33Å; H315-A317 PolarHBondContact O-N 3.1Å; H315-S318 PolarHBondContact O-OG 2.9Å; H315-S318 VanDerWaalsContact O-OG 3.11Å; H315-L319 PolarHBondContact O-N 2.94Å; H315-L319 VanDerWaalsContact O-N 3.09Å; H315-L320 PolarHBondContact O-N 2.79Å |
| 316 | K | 97.9 | Very high | 97.5 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -54.9 | -55.1 | -176.1 | -178.1 | 171.7 | 175.4 | 166.6 | 0 | 112.3 | F292 A312 L320 T321 | F292-K316 HydrophobicContact CD1-CB 4.21Å; F292-K316 HydrophobicContact CD1-CD 4.12Å; F292-K316 HydrophobicContact CD1-CG 4.12Å; F292-K316 WeakPolarHBondContact O-CE 3.2Å; F292-K316 PolarHBondContact O-NZ 3.12Å; A312-K316 PolarHBondContact O-N 2.99Å; A312-K316 VanDerWaalsContact O-N 3.09Å; K316-L320 CarbonylContact O-C 3.52Å; K316-L320 PolarHBondContact O-N 3.29Å; K316-L320 VanDerWaalsContact O-N 3.14Å; K316-T321 HydrophobicContact CG-CG2 3.78Å; K316-T321 PolarHBondContact O-N 3.35Å; K316-T321 VanDerWaalsContact O-N 3.13Å; K316-T321 PolarHBondContact O-OG1 3.47Å |
| 317 | A | 95.9 | Very high | 97.6 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 69% | 0.686 | 31% | 0.307 | S | S | * | . | I | π-helix | trans | -71.2 | -33.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H315 | H315-A317 PolarHBondContact O-N 3.1Å |
| 318 | S | 95.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -79.3 | -47.1 | -175.3 | 39.4 | 0 | 0 | 0 | 0 | 112.1 | E42 K61 H315 | E42-S318 WeakPolarHBondContact OE1-CB 3.16Å; E42-S318 PolarHBondContact OE1-OG 3.28Å; K61-S318 PolarHBondContact NZ-O 3.49Å; H315-S318 PolarHBondContact O-OG 2.9Å; H315-S318 VanDerWaalsContact O-OG 3.11Å |
| 319 | L | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -119.7 | -39.4 | -168 | 179.7 | 61.6 | 0 | 0 | 0 | 114.1 | Y38 L41 E42 L45 K61 H315 | Y38-L319 HydrophobicContact CD1-CD2 3.58Å; Y38-L319 HydrophobicContact CE1-CD2 4.17Å; Y38-L319 HydrophobicContact CG-CD2 4.45Å; L41-L319 HydrophobicContact CB-CD2 3.83Å; L41-L319 HydrophobicContact CD1-CD2 4.2Å; E42-L319 HydrophobicContact CG-CB 4.19Å; E42-L319 HydrophobicContact CG-CD2 4.41Å; L45-L319 HydrophobicContact CD2-CD1 3.72Å; K61-L319 HydrophobicContact CB-CD1 4.36Å; K61-L319 WeakPolarHBondContact CD-O 3.49Å; H315-L319 PolarHBondContact O-N 2.94Å; H315-L319 VanDerWaalsContact O-N 3.09Å |
| 320 | L | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -99.9 | 7.8 | -163 | -49.6 | 172.4 | 0 | 0 | 0 | 115.3 | Y38 L58 P177 F292 A312 H315 K316 | Y38-L320 HydrophobicContact CE1-CD2 4.1Å; L58-L320 VanDerWaalsContact CD1-C 3.44Å; P177-L320 HydrophobicContact CB-CD1 3.79Å; P177-L320 HydrophobicContact CB-CD2 3.99Å; P177-L320 HydrophobicContact CB-CG 4.42Å; F292-L320 HydrophobicContact CB-CB 3.72Å; F292-L320 HydrophobicContact CB-CD1 4.3Å; F292-L320 HydrophobicContact CD1-CD1 4.15Å; F292-L320 HydrophobicContact CG-CD1 4.26Å; F292-L320 PolarHBondContact N-O 3.46Å; F292-L320 VanDerWaalsContact N-O 3.12Å; A312-L320 HydrophobicContact CB-CD1 3.74Å; A312-L320 WeakPolarHBondContact O-CD1 3.38Å; H315-L320 PolarHBondContact O-N 2.79Å; K316-L320 CarbonylContact O-C 3.52Å; K316-L320 PolarHBondContact O-N 3.29Å; K316-L320 VanDerWaalsContact O-N 3.14Å |
| 321 | T | 98.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -131.8 | 156.1 | 168.4 | 60.9 | 0 | 0 | 0 | 0 | 109.8 | K61 P291 K316 | K61-T321 VanDerWaalsContact CD-O 3.25Å; K61-T321 WeakPolarHBondContact CD-O 3.48Å; K61-T321 VanDerWaalsContact CE-O 3.23Å; K61-T321 WeakPolarHBondContact CE-O 3.44Å; K61-T321 PolarHBondContact NZ-O 2.88Å; P291-T321 HydrophobicContact CB-CG2 4.33Å; K316-T321 HydrophobicContact CG-CG2 3.78Å; K316-T321 PolarHBondContact O-N 3.35Å; K316-T321 VanDerWaalsContact O-N 3.13Å; K316-T321 PolarHBondContact O-OG1 3.47Å |
| 322 | S | 98.3 | Very high | 97.8 | Very high | 37 Ų | 37 | 61.6 Ų | 61.6 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 153.4 | 172.9 | 47.8 | 0 | 0 | 0 | 0 | 112 | E259 | E259-S322 WeakPolarHBondContact OE1-CB 3.25Š|
| 323 | D | 98.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 66.9 Ų | 66.9 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 147.8 | 169.3 | -69.4 | -36.8 | 0 | 0 | 0 | 109.8 | K49 P55 L56 K61 N325 C326 | K49-D323 VanDerWaalsContact CE-OD2 3.26Å; K49-D323 WeakPolarHBondContact CE-OD2 3.33Å; K49-D323 IonicContact NZ-OD1 3.42Å; K49-D323 PolarHBondContact NZ-OD1 3.36Å; K49-D323 IonicContact NZ-OD2 3.6Å; K49-D323 PolarHBondContact NZ-OD2 2.99Å; K49-D323 VanDerWaalsContact NZ-OD2 3.1Å; P55-D323 HydrophobicContact CB-CB 3.73Å; L56-D323 PolarHBondContact N-OD2 3Å; L56-D323 WeakPolarHBondContact O-CB 3.08Å; L56-D323 PolarHBondContact O-N 2.74Å; K61-D323 WeakPolarHBondContact CE-OD1 3.42Å; K61-D323 WeakPolarHBondContact CE-OD2 3.43Å; K61-D323 IonicContact NZ-OD1 2.89Å; K61-D323 PolarHBondContact NZ-OD1 3.4Å; K61-D323 IonicContact NZ-OD2 2.72Å; D323-N325 PolarHBondContact O-N 2.72Å; D323-C326 WeakPolarHBondContact O-CB 3.34Å; D323-C326 PolarHBondContact O-N 3.36Å; D323-C326 VanDerWaalsContact O-N 3.15Å |
| 324 | V | 96.3 | Very high | 97.9 | Very high | 119 Ų | 119 | 64.8 Ų | 64.8 | 72% | 0.721 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 135.2 | 172.7 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | P55 C326 | P55-V324 WeakPolarHBondContact CB-O 3.35Å; V324-C326 VanDerWaalsContact C-N 3.27Å; V324-C326 PolarHBondContact O-N 2.86Å |
| 325 | N | 95.7 | Very high | 97.9 | Very high | 140 Ų | 140 | 60.1 Ų | 60.1 | 75% | 0.749 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 24.1 | -178 | -52.1 | -38.4 | 0 | 0 | 0 | 115 | D323 | D323-N325 PolarHBondContact O-N 2.72Š|
| 326 | C | 98 | Very high | 98 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 14% | 0.135 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 150.6 | 167.1 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | P55 L56 T57 D323 V324 | P55-C326 HydrophobicContact CB-CB 4.4Å; L56-C326 WeakPolarHBondContact O-CB 3.45Å; T57-C326 HydrophobicContact CG2-CB 4.01Å; D323-C326 WeakPolarHBondContact O-CB 3.34Å; D323-C326 PolarHBondContact O-N 3.36Å; D323-C326 VanDerWaalsContact O-N 3.15Å; V324-C326 VanDerWaalsContact C-N 3.27Å; V324-C326 PolarHBondContact O-N 2.86Å |
| 327 | K | 98.2 | Very high | 98 | Very high | 169 Ų | 169 | 60.7 Ų | 60.7 | 74% | 0.735 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -103.4 | 127.9 | -178.3 | -65.2 | -173.2 | 179.3 | -178.2 | 0 | 111.6 | T57 R77 | T57-K327 WeakPolarHBondContact CG2-O 3.5Å; R77-K327 PolarHBondContact NH1-O 3.26Å; R77-K327 PolarHBondContact NH2-O 3.36Å |
| 328 | Y | 98.7 | Very high | 98.1 | Very high | 32 Ų | 32 | 61.8 Ų | 61.8 | 13% | 0.125 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 145.6 | 166.7 | -55.5 | -66 | 0 | 0 | 0 | 109.7 | T57 V222 E259 Y261 K330 I331 | T57-Y328 HydrophobicContact CG2-CD1 3.99Å; T57-Y328 HydrophobicContact CG2-CE1 3.92Å; V222-Y328 HydrophobicContact CB-CD1 4.3Å; V222-Y328 HydrophobicContact CG1-CD1 3.71Å; V222-Y328 HydrophobicContact CG1-CE1 4.08Å; E259-Y328 HydrophobicContact CB-CE1 4.05Å; E259-Y328 HydrophobicContact CG-CE1 4.1Å; E259-Y328 PolarHBondContact OE1-OH 3.43Å; Y261-Y328 AromaticContact CD1-CE2 3.68Å; Y261-Y328 HydrophobicContact CD1-CE2 3.68Å; Y261-Y328 AromaticContact CD1-CZ 3.71Å; Y261-Y328 WeakPolarHBondContact CD1-OH 3.42Å; Y261-Y328 HydrophobicContact CD2-CE2 4.39Å; Y261-Y328 AromaticContact CE1-CD2 3.91Å; Y261-Y328 HydrophobicContact CE1-CD2 3.91Å; Y261-Y328 AromaticContact CE1-CE2 3.36Å; Y261-Y328 HydrophobicContact CE1-CE2 3.36Å; Y261-Y328 AromaticContact CE1-CZ 3.87Å; Y261-Y328 HydrophobicContact CE2-CE2 4.13Å; Y261-Y328 HydrophobicContact CG-CE2 4.19Å; Y261-Y328 AromaticContact CZ-CE2 3.6Å; Y328-K330 VanDerWaalsContact C-N 3.29Å; Y328-K330 WeakPolarHBondContact CB-O 3.46Å; Y328-I331 HydrophobicContact CD2-CD1 4.41Å; Y328-I331 HydrophobicContact CD2-CG1 4.15Å |
| 329 | D | 98.7 | Very high | 98.2 | Very high | 84 Ų | 84 | 60.4 Ų | 60.4 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -74.9 | -24 | 176.1 | -61.3 | -75.1 | 0 | 0 | 0 | 111.6 | R77 L221 V222 | R77-D329 WeakPolarHBondContact CD-OD2 3.33Å; R77-D329 IonicContact CZ-OD2 3.03Å; R77-D329 IonicContact NE-OD2 3.15Å; R77-D329 IonicContact NH1-OD1 3.1Å; R77-D329 IonicContact NH1-OD2 2.79Å; R77-D329 PolarHBondContact NH1-OD2 2.6Å; L221-D329 WeakPolarHBondContact CA-OD2 3.31Å; L221-D329 HydrophobicContact CB-CB 4.2Å; L221-D329 HydrophobicContact CD2-CB 4.24Å; V222-D329 PolarHBondContact N-OD2 2.82Å; V222-D329 PolarHBondContact O-N 3.4Å |
| 330 | K | 98.6 | Very high | 98.1 | Very high | 96 Ų | 96 | 62.9 Ų | 62.9 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 143.8 | 172.3 | -177.1 | 174.3 | -179.3 | 176.7 | 0 | 109.3 | I223 G224 L248 Y328 | I223-K330 CarbonylContact C-O 3.54Å; I223-K330 WeakPolarHBondContact CA-O 3.47Å; I223-K330 HydrophobicContact CG1-CB 4.26Å; I223-K330 HydrophobicContact CG2-CB 4.34Å; G224-K330 PolarHBondContact N-O 3Å; L248-K330 HydrophobicContact CD2-CD 4.23Å; L248-K330 VanDerWaalsContact CD2-NZ 3.3Å; Y328-K330 VanDerWaalsContact C-N 3.29Å; Y328-K330 WeakPolarHBondContact CB-O 3.46Å |
| 331 | I | 98.7 | Very high | 98.1 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 48% | 0.482 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.9 | 174.6 | -62.3 | 174.1 | 0 | 0 | 0 | 109.1 | G224 Y261 Y328 E333 | G224-I331 CarbonylContact O-C 3.53Å; G224-I331 VanDerWaalsContact O-CA 3.32Å; G224-I331 WeakPolarHBondContact O-CA 3.46Å; Y261-I331 WeakPolarHBondContact OH-CG2 3.49Å; Y328-I331 HydrophobicContact CD2-CD1 4.41Å; Y328-I331 HydrophobicContact CD2-CG1 4.15Å; I331-E333 HydrophobicContact CG2-CG 4.46Å |
| 332 | I | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.4 | 170.2 | -62.6 | 173.5 | 0 | 0 | 0 | 107.4 | I223 G224 V225 N226 I247 L248 I334 | I223-I332 HydrophobicContact CG2-CD1 4.1Å; I223-I332 HydrophobicContact CG2-CG1 4.44Å; G224-I332 PolarHBondContact O-N 2.93Å; V225-I332 CarbonylContact C-O 3.52Å; V225-I332 WeakPolarHBondContact CA-O 3.4Å; V225-I332 HydrophobicContact CG2-CB 4.29Å; N226-I332 PolarHBondContact N-O 2.89Å; I247-I332 HydrophobicContact CD1-CG2 3.78Å; I247-I332 HydrophobicContact CG2-CD1 3.84Å; I247-I332 HydrophobicContact CG2-CG1 4.2Å; I247-I332 HydrophobicContact CG2-CG2 4.28Å; L248-I332 HydrophobicContact CD1-CD1 3.79Å; L248-I332 HydrophobicContact CD2-CD1 3.71Å; L248-I332 HydrophobicContact CG-CD1 3.58Å; I332-I334 HydrophobicContact CG2-CD1 4.49Å; I332-I334 HydrophobicContact CG2-CG1 4.18Å |
| 333 | E | 98.7 | Very high | 98.1 | Very high | 111 Ų | 111 | 60 Ų | 60 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.8 | 178.9 | -65.2 | -70.2 | 158.6 | 0 | 0 | 109.2 | N226 I331 | N226-E333 WeakPolarHBondContact CB-OE1 3.36Å; N226-E333 VanDerWaalsContact CB-OE2 3.27Å; N226-E333 WeakPolarHBondContact CB-OE2 3.42Å; N226-E333 VanDerWaalsContact CG-OE2 3.31Å; N226-E333 VanDerWaalsContact ND2-CD 3.29Å; N226-E333 PolarHBondContact ND2-OE1 3.39Å; N226-E333 PolarHBondContact ND2-OE2 2.94Å; I331-E333 HydrophobicContact CG2-CG 4.46Å |
| 334 | I | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.3 | 173.7 | -62.2 | -178.2 | 0 | 0 | 0 | 109.1 | V225 N226 L227 T228 I240 K243 V244 I332 L336 L339 | V225-I334 HydrophobicContact CG1-CD1 4.09Å; V225-I334 HydrophobicContact CG1-CG1 4.4Å; N226-I334 PolarHBondContact O-N 2.73Å; L227-I334 HydrophobicContact CD2-CB 3.98Å; L227-I334 HydrophobicContact CD2-CG2 4.42Å; T228-I334 PolarHBondContact N-O 3.4Å; T228-I334 PolarHBondContact OG1-O 3.19Å; I240-I334 HydrophobicContact CG2-CD1 4.32Å; K243-I334 HydrophobicContact CB-CD1 4.44Å; K243-I334 HydrophobicContact CG-CD1 4.24Å; V244-I334 HydrophobicContact CG2-CD1 3.46Å; V244-I334 VanDerWaalsContact CG2-CD1 3.46Å; I332-I334 HydrophobicContact CG2-CD1 4.49Å; I332-I334 HydrophobicContact CG2-CG1 4.18Å; I334-L336 HydrophobicContact CG2-CD2 4.14Å; I334-L339 HydrophobicContact CG2-CD2 4.42Å |
| 335 | N | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 112.3 | 170.3 | -176.6 | -3.1 | 0 | 0 | 0 | 110.1 | T228 D337 T338 L339 | T228-N335 WeakPolarHBondContact OG1-CA 3.48Å; N335-D337 VanDerWaalsContact C-N 3.29Å; N335-D337 PolarHBondContact O-N 3.35Å; N335-D337 WeakPolarHBondContact OD1-CB 3.43Å; N335-D337 PolarHBondContact OD1-N 3.45Å; N335-T338 PolarHBondContact O-N 2.97Å; N335-T338 PolarHBondContact O-OG1 3.15Å; N335-L339 PolarHBondContact O-N 3.01Å |
| 336 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -25.1 | -178.9 | -57 | 179.7 | 0 | 0 | 0 | 112.8 | L227 T228 K230 L231 I240 I334 T338 L339 | L227-L336 HydrophobicContact CB-CD1 4.4Å; L227-L336 HydrophobicContact CD2-CD2 4.42Å; T228-L336 VanDerWaalsContact O-CB 3.26Å; T228-L336 WeakPolarHBondContact O-CB 3.39Å; T228-L336 WeakPolarHBondContact O-CG 3.43Å; T228-L336 PolarHBondContact O-N 3.09Å; K230-L336 CarbonylContact O-C 3.52Å; L231-L336 HydrophobicContact CD2-CD2 4.15Å; L231-L336 HydrophobicContact CG-CD1 4.38Å; I240-L336 HydrophobicContact CD1-CD2 3.47Å; I240-L336 VanDerWaalsContact CD1-CD2 3.47Å; I240-L336 HydrophobicContact CG1-CD2 3.58Å; I334-L336 HydrophobicContact CG2-CD2 4.14Å; L336-T338 PolarHBondContact O-N 3.11Å; L336-L339 HydrophobicContact CD2-CD2 4.24Å; L336-L339 PolarHBondContact O-N 3.39Å |
| 337 | D | 98 | Very high | 98.2 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.8 | 178.3 | -62.5 | -30.5 | 0 | 0 | 0 | 111.8 | G229 K230 N335 | G229-D337 WeakPolarHBondContact CA-OD1 3.29Å; G229-D337 VanDerWaalsContact CA-OD2 3.31Å; G229-D337 WeakPolarHBondContact CA-OD2 3.35Å; K230-D337 PolarHBondContact N-OD1 2.9Å; N335-D337 VanDerWaalsContact C-N 3.29Å; N335-D337 PolarHBondContact O-N 3.35Å; N335-D337 WeakPolarHBondContact OD1-CB 3.43Å; N335-D337 PolarHBondContact OD1-N 3.45Å |
| 338 | T | 97.3 | Very high | 98.1 | Very high | 106 Ų | 106 | 41.8 Ų | 41.8 | 65% | 0.65 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -108.6 | -3.2 | -178.3 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | N335 L336 E340 | N335-T338 PolarHBondContact O-N 2.97Å; N335-T338 PolarHBondContact O-OG1 3.15Å; L336-T338 PolarHBondContact O-N 3.11Å; T338-E340 PolarHBondContact O-N 3.14Å |
| 339 | L | 98.1 | Very high | 98 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 118.1 | 179.2 | -179 | 64.7 | 0 | 0 | 0 | 109.3 | L231 T235 D239 I240 K243 I334 N335 L336 | L231-L339 HydrophobicContact CD2-CD2 4.43Å; T235-L339 WeakPolarHBondContact CB-O 3.39Å; T235-L339 HydrophobicContact CG2-CB 3.99Å; T235-L339 HydrophobicContact CG2-CD2 3.78Å; T235-L339 HydrophobicContact CG2-CG 3.68Å; T235-L339 WeakPolarHBondContact CG2-O 3.36Å; T235-L339 PolarHBondContact OG1-O 3.09Å; D239-L339 HydrophobicContact CB-CD2 4.01Å; D239-L339 HydrophobicContact CB-CG 4.29Å; I240-L339 HydrophobicContact CB-CD2 4.42Å; I240-L339 HydrophobicContact CG1-CD2 3.66Å; K243-L339 HydrophobicContact CB-CD1 3.94Å; K243-L339 HydrophobicContact CG-CD1 4.1Å; I334-L339 HydrophobicContact CG2-CD2 4.42Å; N335-L339 PolarHBondContact O-N 3.01Å; L336-L339 HydrophobicContact CD2-CD2 4.24Å; L336-L339 PolarHBondContact O-N 3.39Å |
| 340 | E | 96.2 | Very high | 98 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 25% | 0.248 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -83.5 | 156 | 174.4 | -171.2 | 179.6 | 167.5 | 0 | 0 | 110.7 | T338 H342 P354 I355 S356 | T338-E340 PolarHBondContact O-N 3.14Å; E340-H342 PolarHBondContact O-CE1 3.1Å; E340-H342 PolarHBondContact O-ND1 3.4Å; E340-P354 HydrophobicContact CB-CB 4.49Å; E340-P354 HydrophobicContact CG-CB 4.4Å; E340-P354 WeakPolarHBondContact OE2-CB 3.34Å; E340-I355 HydrophobicContact CG-CG2 4.04Å; E340-I355 WeakPolarHBondContact OE1-CG2 3.44Å; E340-I355 PolarHBondContact OE1-N 2.98Å; E340-S356 VanDerWaalsContact CD-OG 3.27Å; E340-S356 WeakPolarHBondContact OE1-CA 3.46Å; E340-S356 WeakPolarHBondContact OE1-CB 3.33Å; E340-S356 PolarHBondContact OE1-N 3.16Å; E340-S356 PolarHBondContact OE1-OG 2.99Å; E340-S356 PolarHBondContact OE2-OG 2.89Å |
| 341 | P | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 138.3 | 165.4 | -25.6 | 34.2 | 0 | 0 | 0 | 112.7 | W234 D239 I355 L489 L504 | W234-P341 HydrophobicContact CB-CG 3.42Å; W234-P341 VanDerWaalsContact CB-CG 3.42Å; D239-P341 WeakPolarHBondContact OD1-CA 3.39Å; P341-I355 HydrophobicContact CB-CB 4.41Å; P341-I355 HydrophobicContact CB-CG2 3.98Å; P341-I355 HydrophobicContact CG-CG2 4.32Å; P341-I355 PolarHBondContact O-N 2.68Å; P341-L489 HydrophobicContact CB-CD2 3.95Å; P341-L504 HydrophobicContact CG-CD1 4.4Å |
| 342 | H | 98.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.6 | -175.8 | -80.7 | 59.7 | 0 | 0 | 0 | 112.4 | D239 L242 E246 E340 H353 T485 | D239-H342 PolarHBondContact OD1-N 3.23Å; L242-H342 HydrophobicContact CB-CB 3.85Å; L242-H342 HydrophobicContact CD1-CB 3.84Å; L242-H342 VanDerWaalsContact CD1-O 3.22Å; L242-H342 WeakPolarHBondContact CD1-O 3.24Å; E246-H342 IonicContact OE2-NE2 2.83Å; E340-H342 PolarHBondContact O-CE1 3.1Å; E340-H342 PolarHBondContact O-ND1 3.4Å; H342-H353 CarbonylContact C-O 3.55Å; H342-H353 WeakPolarHBondContact CA-O 3.39Å; H342-T485 WeakPolarHBondContact O-CB 3.41Å; H342-T485 PolarHBondContact O-OG1 3.38Å |
| 343 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 118.2 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | H353 I355 L358 F483 T485 L489 | V343-H353 PolarHBondContact N-O 2.99Å; V343-H353 WeakPolarHBondContact O-CB 3.48Å; V343-H353 PolarHBondContact O-CD2 3.31Å; V343-H353 PolarHBondContact O-N 3.34Å; V343-I355 HydrophobicContact CG2-CD1 4.2Å; V343-L358 HydrophobicContact CB-CD1 4.28Å; V343-L358 HydrophobicContact CB-CD2 4.1Å; V343-L358 HydrophobicContact CG1-CD1 4.16Å; V343-L358 HydrophobicContact CG1-CD2 4.1Å; V343-L358 HydrophobicContact CG2-CD2 3.93Å; V343-F483 HydrophobicContact CG1-CB 3.61Å; V343-F483 HydrophobicContact CG1-CD1 3.85Å; V343-F483 HydrophobicContact CG1-CG 4.05Å; V343-T485 HydrophobicContact CG2-CG2 4.37Å; V343-L489 HydrophobicContact CG2-CD2 3.68Å |
| 344 | N | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142.3 | -179.9 | -64.4 | 19.1 | 0 | 0 | 0 | 111.3 | L242 P349 L351 A352 N469 F483 V484 | L242-N344 HydrophobicContact CD2-CB 4.07Å; L242-N344 PolarHBondContact O-ND2 3.3Å; L242-N344 VanDerWaalsContact O-ND2 3.1Å; N344-P349 WeakPolarHBondContact CB-O 3.5Å; N344-P349 PolarHBondContact ND2-O 2.89Å; N344-L351 CarbonylContact C-O 3.49Å; N344-L351 WeakPolarHBondContact CA-O 3.5Å; N344-A352 VanDerWaalsContact OD1-CA 3.24Å; N344-A352 WeakPolarHBondContact OD1-CA 3.29Å; N344-A352 WeakPolarHBondContact OD1-CB 3.4Å; N344-N469 PolarHBondContact O-ND2 3.43Å; N344-F483 CarbonylContact O-C 3.46Å; N344-F483 VanDerWaalsContact O-CA 3.26Å; N344-F483 WeakPolarHBondContact O-CA 3.18Å; N344-V484 HydrophobicContact CB-CG2 3.95Å; N344-V484 PolarHBondContact N-O 3.22Å; N344-V484 PolarHBondContact O-N 3.01Å |
| 345 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | 145.8 | -174.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T348 L351 H353 N469 | G345-T348 WeakPolarHBondContact CA-O 3.26Å; G345-L351 PolarHBondContact N-O 2.92Å; G345-L351 WeakPolarHBondContact O-CD2 3.38Å; G345-L351 VanDerWaalsContact O-CG 3.24Å; G345-L351 WeakPolarHBondContact O-CG 3.42Å; G345-H353 PolarHBondContact O-NE2 3.18Å; G345-N469 WeakPolarHBondContact CA-ND2 3.46Å | ||
| 346 | P | 97.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | S | Bend | cis | -98.6 | -9.8 | 17.8 | 31.2 | -32.1 | 0 | 0 | 0 | 117.6 | W367 H481 A482 F483 | P346-W367 VanDerWaalsContact CD-CZ2 3.48Å; P346-W367 HydrophobicContact CG-CD2 4.16Å; P346-W367 HydrophobicContact CG-CG 4.46Å; P346-W367 HydrophobicContact CG-CZ2 4.13Å; P346-H481 HydrophobicContact CB-CB 3.6Å; P346-H481 HydrophobicContact CG-CB 4.37Å; P346-A482 CarbonylContact C-O 3.5Å; P346-A482 VanDerWaalsContact CA-O 3.26Å; P346-A482 WeakPolarHBondContact CA-O 3.37Å; P346-A482 PolarHBondContact O-N 2.95Å; P346-F483 HydrophobicContact CB-CD2 4.49Å; P346-F483 HydrophobicContact CB-CE1 4.11Å; P346-F483 HydrophobicContact CB-CE2 3.89Å; P346-F483 HydrophobicContact CB-CZ 3.68Å; P346-F483 HydrophobicContact CG-CZ 4.15Å |
| 347 | F | 95.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 32.4 Ų | 32.4 | 30% | 0.303 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -124 | 2.9 | -173 | -62.2 | -67 | 0 | 0 | 0 | 114.2 | N469 T471 T480 H481 | F347-N469 CarbonylContact C-O 3.59Å; F347-N469 WeakPolarHBondContact CA-O 3.38Å; F347-T471 WeakPolarHBondContact CD1-OG1 3.43Å; F347-T480 WeakPolarHBondContact CE1-O 3.46Å; F347-H481 AromaticContact CE2-CD2 3.99Å; F347-H481 AromaticContact CE2-NE2 3.83Å; F347-H481 AromaticContact CZ-CE1 3.68Å; F347-H481 AromaticContact CZ-CG 3.98Å; F347-H481 AromaticContact CZ-ND1 3.76Å; F347-H481 AromaticContact CZ-NE2 3.88Å |
| 348 | T | 95.7 | Very high | 97.8 | Very high | 29 Ų | 29 | 27.8 Ų | 27.8 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -152.5 | 143.7 | -179 | -169 | 0 | 0 | 0 | 0 | 109.5 | G345 D350 L351 N469 | G345-T348 WeakPolarHBondContact CA-O 3.26Å; T348-D350 VanDerWaalsContact CB-OD1 3.29Å; T348-D350 WeakPolarHBondContact CB-OD1 3.31Å; T348-D350 WeakPolarHBondContact CG2-OD1 3.19Å; T348-D350 PolarHBondContact O-N 3.22Å; T348-D350 PolarHBondContact OG1-OD1 3.26Å; T348-L351 HydrophobicContact CG2-CB 3.56Å; T348-N469 WeakPolarHBondContact CA-OD1 3.31Å; T348-N469 PolarHBondContact N-OD1 3.38Å; T348-N469 PolarHBondContact O-ND2 2.93Å; T348-N469 PolarHBondContact O-OD1 2.67Å |
| 349 | P | 97 | Very high | 97.9 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6.5 | -175 | 31.8 | -38.1 | 0 | 0 | 0 | 113.2 | V250 M279 E282 N344 N469 F470 | V250-P349 HydrophobicContact CG1-CG 3.83Å; M279-P349 HydrophobicContact CE-CB 3.87Å; E282-P349 HydrophobicContact CB-CB 3.94Å; E282-P349 HydrophobicContact CB-CG 3.67Å; E282-P349 HydrophobicContact CG-CB 3.78Å; E282-P349 HydrophobicContact CG-CG 3.67Å; N344-P349 WeakPolarHBondContact CB-O 3.5Å; N344-P349 PolarHBondContact ND2-O 2.89Å; P349-N469 WeakPolarHBondContact CA-OD1 3.29Å; P349-F470 HydrophobicContact CG-CE1 4.28Å |
| 350 | D | 97.9 | Very high | 97.9 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 15% | 0.15 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -8.1 | -178.7 | 60.5 | -10.3 | 0 | 0 | 0 | 114.5 | A245 T249 V250 T348 A352 | A245-D350 HydrophobicContact CB-CB 4.48Å; A245-D350 VanDerWaalsContact O-CB 3.25Å; A245-D350 WeakPolarHBondContact O-CB 3.42Å; T249-D350 VanDerWaalsContact CA-OD2 3.23Å; T249-D350 WeakPolarHBondContact CA-OD2 3.4Å; T249-D350 VanDerWaalsContact CB-OD2 3.26Å; T249-D350 WeakPolarHBondContact CB-OD2 3.2Å; V250-D350 HydrophobicContact CG1-CB 4.29Å; V250-D350 PolarHBondContact N-OD2 3.5Å; T348-D350 VanDerWaalsContact CB-OD1 3.29Å; T348-D350 WeakPolarHBondContact CB-OD1 3.31Å; T348-D350 WeakPolarHBondContact CG2-OD1 3.19Å; T348-D350 PolarHBondContact O-N 3.22Å; T348-D350 PolarHBondContact OG1-OD1 3.26Å; D350-A352 PolarHBondContact O-N 3.1Å |
| 351 | L | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 27.9 Ų | 27.9 | 38% | 0.382 | 16% | 0.159 | S | C | . | . | trans | -79.1 | 89.1 | 174.4 | 179.4 | 55.1 | 0 | 0 | 0 | 109 | N344 G345 T348 W367 | N344-L351 CarbonylContact C-O 3.49Å; N344-L351 WeakPolarHBondContact CA-O 3.5Å; G345-L351 PolarHBondContact N-O 2.92Å; G345-L351 WeakPolarHBondContact O-CD2 3.38Å; G345-L351 VanDerWaalsContact O-CG 3.24Å; G345-L351 WeakPolarHBondContact O-CG 3.42Å; T348-L351 HydrophobicContact CG2-CB 3.56Å; L351-W367 HydrophobicContact CD2-CH2 4.26Å; L351-W367 HydrophobicContact CD2-CZ2 4.26Å | ||
| 352 | A | 98.2 | Very high | 97.9 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 12% | 0.124 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 146 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E246 N344 D350 | E246-A352 HydrophobicContact CB-CB 3.58Å; E246-A352 HydrophobicContact CG-CB 3.71Å; N344-A352 VanDerWaalsContact OD1-CA 3.24Å; N344-A352 WeakPolarHBondContact OD1-CA 3.29Å; N344-A352 WeakPolarHBondContact OD1-CB 3.4Å; D350-A352 PolarHBondContact O-N 3.1Å |
| 353 | H | 98.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 119.3 | 176.7 | -49.6 | -52.5 | 0 | 0 | 0 | 109.7 | H342 V343 G345 L358 H361 W367 | H342-H353 CarbonylContact C-O 3.55Å; H342-H353 WeakPolarHBondContact CA-O 3.39Å; V343-H353 PolarHBondContact N-O 2.99Å; V343-H353 WeakPolarHBondContact O-CB 3.48Å; V343-H353 PolarHBondContact O-CD2 3.31Å; V343-H353 PolarHBondContact O-N 3.34Å; G345-H353 PolarHBondContact O-NE2 3.18Å; H353-L358 HydrophobicContact CB-CD1 4.17Å; H353-H361 AromaticContact CE1-ND1 3.92Å; H353-H361 AromaticContact CG-ND1 3.74Å; H353-H361 AromaticContact ND1-CE1 3.98Å; H353-H361 AromaticContact ND1-CG 3.96Å; H353-H361 AromaticContact ND1-ND1 3.09Å; H353-H361 PolarHBondContact ND1-ND1 2.95Å; H353-W367 AromaticContact CE1-CH2 3.78Å; H353-W367 AromaticContact NE2-CH2 3.32Å; H353-W367 VanDerWaalsContact NE2-CH2 3.32Å; H353-W367 WeakPolarHBondContact NE2-CH2 3.09Å; H353-W367 AromaticContact NE2-CZ3 3.48Å; H353-W367 WeakPolarHBondContact NE2-CZ3 3.01Å |
| 354 | P | 98.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 40 Ų | 40 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 143.5 | 162.3 | -19.8 | 31.2 | 0 | 0 | 0 | 109.7 | E340 S356 Q357 L358 | E340-P354 HydrophobicContact CB-CB 4.49Å; E340-P354 HydrophobicContact CG-CB 4.4Å; E340-P354 WeakPolarHBondContact OE2-CB 3.34Å; P354-S356 PolarHBondContact O-N 2.74Å; P354-S356 VanDerWaalsContact O-N 3.16Å; P354-Q357 PolarHBondContact O-N 3.41Å; P354-L358 PolarHBondContact O-N 3.42Å |
| 355 | I | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -33.1 | -175.2 | -172.7 | 58.7 | 0 | 0 | 0 | 112.6 | E340 P341 V343 Q357 L358 L489 L504 | E340-I355 HydrophobicContact CG-CG2 4.04Å; E340-I355 WeakPolarHBondContact OE1-CG2 3.44Å; E340-I355 PolarHBondContact OE1-N 2.98Å; P341-I355 HydrophobicContact CB-CB 4.41Å; P341-I355 HydrophobicContact CB-CG2 3.98Å; P341-I355 HydrophobicContact CG-CG2 4.32Å; P341-I355 PolarHBondContact O-N 2.68Å; V343-I355 HydrophobicContact CG2-CD1 4.2Å; I355-Q357 PolarHBondContact O-N 3.24Å; I355-L358 HydrophobicContact CD1-CB 4.41Å; I355-L358 HydrophobicContact CD1-CD2 3.87Å; I355-L358 PolarHBondContact O-N 3.35Å; I355-L489 HydrophobicContact CB-CD2 4.34Å; I355-L489 HydrophobicContact CD1-CD1 4.23Å; I355-L489 HydrophobicContact CD1-CD2 4.1Å; I355-L489 HydrophobicContact CG1-CD1 4.23Å; I355-L489 HydrophobicContact CG1-CD2 4.27Å; I355-L504 HydrophobicContact CG2-CD1 4.12Å; I355-L504 HydrophobicContact CG2-CD2 4.14Å |
| 356 | S | 97.9 | Very high | 97.7 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 44% | 0.441 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -22.3 | 173.5 | 58.9 | 0 | 0 | 0 | 0 | 114.6 | E340 P354 | E340-S356 VanDerWaalsContact CD-OG 3.27Å; E340-S356 WeakPolarHBondContact OE1-CA 3.46Å; E340-S356 WeakPolarHBondContact OE1-CB 3.33Å; E340-S356 PolarHBondContact OE1-N 3.16Å; E340-S356 PolarHBondContact OE1-OG 2.99Å; E340-S356 PolarHBondContact OE2-OG 2.89Å; P354-S356 PolarHBondContact O-N 2.74Å; P354-S356 VanDerWaalsContact O-N 3.16Å |
| 357 | Q | 98.2 | Very high | 97.8 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -110.1 | -10.6 | -176.4 | -58.6 | -177.2 | 4 | 0 | 0 | 113.4 | P354 I355 S359 S360 H361 | P354-Q357 PolarHBondContact O-N 3.41Å; I355-Q357 PolarHBondContact O-N 3.24Å; Q357-S359 VanDerWaalsContact C-N 3.31Å; Q357-S359 PolarHBondContact O-N 3.26Å; Q357-S360 PolarHBondContact O-N 2.9Å; Q357-S360 PolarHBondContact O-OG 3.42Å; Q357-H361 WeakPolarHBondContact O-CB 3.44Å; Q357-H361 VanDerWaalsContact O-CG 3.29Å; Q357-H361 PolarHBondContact O-N 2.99Å; Q357-H361 PolarHBondContact OE1-CE1 2.99Å; Q357-H361 VanDerWaalsContact OE1-CE1 3.25Å |
| 358 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.3 | -43.1 | -175.1 | -179.1 | 62.7 | 0 | 0 | 0 | 112.8 | V343 H353 P354 I355 S360 H361 A362 F483 L499 | V343-L358 HydrophobicContact CB-CD1 4.28Å; V343-L358 HydrophobicContact CB-CD2 4.1Å; V343-L358 HydrophobicContact CG1-CD1 4.16Å; V343-L358 HydrophobicContact CG1-CD2 4.1Å; V343-L358 HydrophobicContact CG2-CD2 3.93Å; H353-L358 HydrophobicContact CB-CD1 4.17Å; P354-L358 PolarHBondContact O-N 3.42Å; I355-L358 HydrophobicContact CD1-CB 4.41Å; I355-L358 HydrophobicContact CD1-CD2 3.87Å; I355-L358 PolarHBondContact O-N 3.35Å; L358-S360 PolarHBondContact O-N 3.36Å; L358-H361 PolarHBondContact O-N 2.94Å; L358-A362 VanDerWaalsContact O-CB 3.25Å; L358-A362 WeakPolarHBondContact O-CB 3.42Å; L358-A362 PolarHBondContact O-N 3.19Å; L358-F483 HydrophobicContact CD1-CE1 4.38Å; L358-L499 HydrophobicContact CD2-CB 4.38Å; L358-L499 HydrophobicContact CD2-CD2 4.12Å; L358-L499 HydrophobicContact CG-CB 4.37Å |
| 359 | S | 98.1 | Very high | 98 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | -178.8 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | Q357 S363 S500 | Q357-S359 VanDerWaalsContact C-N 3.31Å; Q357-S359 PolarHBondContact O-N 3.26Å; S359-S363 WeakPolarHBondContact O-CB 3.47Å; S359-S363 PolarHBondContact O-N 3.18Å; S359-S363 PolarHBondContact O-OG 3.06Å; S359-S500 WeakPolarHBondContact OG-CA 3.39Å; S359-S500 VanDerWaalsContact OG-CB 3.3Å; S359-S500 WeakPolarHBondContact OG-CB 3.11Å; S359-S500 PolarHBondContact OG-OG 3.08Å; S359-S500 VanDerWaalsContact OG-OG 3.12Å |
| 360 | S | 98.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.9 | -40 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 111 | Q357 L358 K364 | Q357-S360 PolarHBondContact O-N 2.9Å; Q357-S360 PolarHBondContact O-OG 3.42Å; L358-S360 PolarHBondContact O-N 3.36Å; S360-K364 VanDerWaalsContact O-CB 3.28Å; S360-K364 WeakPolarHBondContact O-CB 3.47Å; S360-K364 PolarHBondContact O-N 2.96Å |
| 361 | H | 98.3 | Very high | 98.1 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 175.6 | -67.9 | 171.8 | 0 | 0 | 0 | 111.9 | H353 Q357 L358 S363 K364 A365 W367 | H353-H361 AromaticContact CE1-ND1 3.92Å; H353-H361 AromaticContact CG-ND1 3.74Å; H353-H361 AromaticContact ND1-CE1 3.98Å; H353-H361 AromaticContact ND1-CG 3.96Å; H353-H361 AromaticContact ND1-ND1 3.09Å; H353-H361 PolarHBondContact ND1-ND1 2.95Å; Q357-H361 WeakPolarHBondContact O-CB 3.44Å; Q357-H361 VanDerWaalsContact O-CG 3.29Å; Q357-H361 PolarHBondContact O-N 2.99Å; Q357-H361 PolarHBondContact OE1-CE1 2.99Å; Q357-H361 VanDerWaalsContact OE1-CE1 3.25Å; L358-H361 PolarHBondContact O-N 2.94Å; H361-S363 PolarHBondContact O-N 3.4Å; H361-K364 PolarHBondContact O-N 2.83Å; H361-A365 WeakPolarHBondContact O-CB 3.42Å; H361-A365 PolarHBondContact O-N 3.33Å; H361-W367 HydrophobicContact CB-CZ3 4.45Å |
| 362 | A | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L358 A365 G366 W367 L369 L499 | L358-A362 VanDerWaalsContact O-CB 3.25Å; L358-A362 WeakPolarHBondContact O-CB 3.42Å; L358-A362 PolarHBondContact O-N 3.19Å; A362-A365 PolarHBondContact O-N 3.05Å; A362-G366 PolarHBondContact O-N 3.11Å; A362-G366 VanDerWaalsContact O-N 3.08Å; A362-W367 HydrophobicContact CB-CB 4.38Å; A362-W367 HydrophobicContact CB-CE3 3.75Å; A362-W367 HydrophobicContact CB-CZ3 4.46Å; A362-W367 PolarHBondContact O-N 3.1Å; A362-L369 HydrophobicContact CB-CD2 3.61Å; A362-L499 HydrophobicContact CB-CB 4.37Å; A362-L499 HydrophobicContact CB-CD1 4.02Å |
| 363 | S | 97.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | S359 H361 A365 G366 | S359-S363 WeakPolarHBondContact O-CB 3.47Å; S359-S363 PolarHBondContact O-N 3.18Å; S359-S363 PolarHBondContact O-OG 3.06Å; H361-S363 PolarHBondContact O-N 3.4Å; S363-A365 VanDerWaalsContact C-N 3.33Å; S363-A365 PolarHBondContact O-N 3.05Å; S363-G366 PolarHBondContact O-N 3.44Å |
| 364 | K | 98 | Very high | 98.1 | Very high | 194 Ų | 194 | 47 Ų | 47 | 84% | 0.843 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.6 | -36.4 | 179.3 | -175.2 | 179 | 179.1 | -177.8 | 0 | 112.5 | S360 H361 G366 | S360-K364 VanDerWaalsContact O-CB 3.28Å; S360-K364 WeakPolarHBondContact O-CB 3.47Å; S360-K364 PolarHBondContact O-N 2.96Å; H361-K364 PolarHBondContact O-N 2.83Å; K364-G366 VanDerWaalsContact C-N 3.34Å |
| 365 | A | 97.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 46 Ų | 46 | 44% | 0.438 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -84.7 | -7.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H361 A362 S363 W367 | H361-A365 WeakPolarHBondContact O-CB 3.42Å; H361-A365 PolarHBondContact O-N 3.33Å; A362-A365 PolarHBondContact O-N 3.05Å; S363-A365 VanDerWaalsContact C-N 3.33Å; S363-A365 PolarHBondContact O-N 3.05Å; A365-W367 HydrophobicContact CB-CD2 3.75Å; A365-W367 HydrophobicContact CB-CE3 4.4Å; A365-W367 HydrophobicContact CB-CG 4.1Å; A365-W367 HydrophobicContact CB-CH2 4.22Å; A365-W367 HydrophobicContact CB-CZ2 3.55Å |
| 366 | G | 97.4 | Very high | 98.2 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 60% | 0.598 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 29.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A362 S363 K364 | A362-G366 PolarHBondContact O-N 3.11Å; A362-G366 VanDerWaalsContact O-N 3.08Å; S363-G366 PolarHBondContact O-N 3.44Å; K364-G366 VanDerWaalsContact C-N 3.34Å |
| 367 | W | 98.1 | Very high | 98.2 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | trans | -76.3 | 146.1 | 176.1 | -57.9 | -26.4 | 0 | 0 | 0 | 110.9 | P346 L351 H353 H361 A362 A365 L369 H481 F483 | P346-W367 VanDerWaalsContact CD-CZ2 3.48Å; P346-W367 HydrophobicContact CG-CD2 4.16Å; P346-W367 HydrophobicContact CG-CG 4.46Å; P346-W367 HydrophobicContact CG-CZ2 4.13Å; L351-W367 HydrophobicContact CD2-CH2 4.26Å; L351-W367 HydrophobicContact CD2-CZ2 4.26Å; H353-W367 AromaticContact CE1-CH2 3.78Å; H353-W367 AromaticContact NE2-CH2 3.32Å; H353-W367 VanDerWaalsContact NE2-CH2 3.32Å; H353-W367 WeakPolarHBondContact NE2-CH2 3.09Å; H353-W367 AromaticContact NE2-CZ3 3.48Å; H353-W367 WeakPolarHBondContact NE2-CZ3 3.01Å; H361-W367 HydrophobicContact CB-CZ3 4.45Å; A362-W367 HydrophobicContact CB-CB 4.38Å; A362-W367 HydrophobicContact CB-CE3 3.75Å; A362-W367 HydrophobicContact CB-CZ3 4.46Å; A362-W367 PolarHBondContact O-N 3.1Å; A365-W367 HydrophobicContact CB-CD2 3.75Å; A365-W367 HydrophobicContact CB-CE3 4.4Å; A365-W367 HydrophobicContact CB-CG 4.1Å; A365-W367 HydrophobicContact CB-CH2 4.22Å; A365-W367 HydrophobicContact CB-CZ2 3.55Å; W367-L369 PolarHBondContact O-N 2.81Å; W367-L369 VanDerWaalsContact O-N 3.09Å; W367-H481 AromaticContact CD1-CD2 3.42Å; W367-H481 VanDerWaalsContact CD1-CD2 3.42Å; W367-H481 AromaticContact CD1-NE2 3.62Å; W367-H481 AromaticContact CG-CD2 3.78Å; W367-F483 AromaticContact CD2-CZ 3.99Å; W367-F483 HydrophobicContact CD2-CZ 3.99Å; W367-F483 AromaticContact CE3-CE1 3.82Å; W367-F483 HydrophobicContact CE3-CE1 3.82Å; W367-F483 AromaticContact CE3-CZ 3.45Å; W367-F483 HydrophobicContact CE3-CZ 3.45Å; W367-F483 VanDerWaalsContact CE3-CZ 3.45Å; W367-F483 AromaticContact CZ3-CE1 3.8Å; W367-F483 HydrophobicContact CZ3-CE1 3.8Å; W367-F483 AromaticContact CZ3-CZ 3.94Å; W367-F483 HydrophobicContact CZ3-CZ 3.94Å | ||
| 368 | P | 97.9 | Very high | 98 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | trans | -59.6 | 117.3 | 174.9 | -20.7 | 32.5 | 0 | 0 | 0 | 110.4 | K459 T461 | P368-K459 HydrophobicContact CG-CB 4.13Å; P368-T461 VanDerWaalsContact O-CB 3.31Å; P368-T461 WeakPolarHBondContact O-CB 3.5Å; P368-T461 PolarHBondContact O-OG1 3.27Å | ||
| 369 | L | 98.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 39 Ų | 39 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | trans | -72 | -36.4 | -178.8 | -63.5 | 179.2 | 0 | 0 | 0 | 111.8 | A362 W367 I371 S498 L499 | A362-L369 HydrophobicContact CB-CD2 3.61Å; W367-L369 PolarHBondContact O-N 2.81Å; W367-L369 VanDerWaalsContact O-N 3.09Å; L369-I371 PolarHBondContact O-N 3.03Å; L369-S498 CarbonylContact O-C 3.44Å; L369-S498 WeakPolarHBondContact O-CA 3.42Å; L369-S498 PolarHBondContact O-OG 3.41Å; L369-L499 HydrophobicContact CD2-CB 4.36Å; L369-L499 PolarHBondContact O-N 3.25Å | ||
| 370 | H | 98.3 | Very high | 97.5 | Very high | 119 Ų | 119 | 37 Ų | 37 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | B | Isolated β-bridge | trans | -65.9 | 124.2 | -179.7 | 177.7 | 60 | 0 | 0 | 0 | 111.6 | G497 | H370-G497 PolarHBondContact ND1-O 3.1Å |
| 371 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 115.9 | 176.7 | -62.3 | 172.7 | 0 | 0 | 0 | 108.3 | L369 S406 T461 V463 L493 G497 L499 | L369-I371 PolarHBondContact O-N 3.03Å; I371-S406 VanDerWaalsContact O-CB 3.28Å; I371-S406 WeakPolarHBondContact O-CB 3.11Å; I371-S406 PolarHBondContact O-OG 3.15Å; I371-T461 HydrophobicContact CG1-CG2 4.16Å; I371-V463 HydrophobicContact CD1-CG1 3.91Å; I371-V463 HydrophobicContact CD1-CG2 4.21Å; I371-V463 HydrophobicContact CG1-CG1 4.24Å; I371-V463 HydrophobicContact CG2-CG1 4.44Å; I371-V463 HydrophobicContact CG2-CG2 3.74Å; I371-L493 HydrophobicContact CD1-CB 3.77Å; I371-L493 HydrophobicContact CD1-CD2 4.34Å; I371-L493 HydrophobicContact CD1-CG 4.47Å; I371-G497 PolarHBondContact N-O 3.23Å; I371-L499 HydrophobicContact CD1-CD2 4.21Å; I371-L499 HydrophobicContact CG1-CD2 4.22Å; I371-L499 HydrophobicContact CG1-CG 4.34Å |
| 372 | S | 98.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 30.9 Ų | 30.9 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -39.1 | 179 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | Q407 R451 N460 T461 | S372-Q407 PolarHBondContact O-N 3.44Å; S372-R451 PolarHBondContact OG-NH2 2.72Å; S372-N460 PolarHBondContact OG-ND2 3.18Å; S372-T461 PolarHBondContact N-O 2.94Å; S372-T461 PolarHBondContact OG-O 2.98Å |
| 373 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 142.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L375 Q407 F409 W449 I462 V463 | A373-L375 HydrophobicContact CB-CD1 4.16Å; A373-Q407 CarbonylContact C-O 3.3Å; A373-Q407 WeakPolarHBondContact CA-O 3.37Å; A373-Q407 HydrophobicContact CB-CB 4.17Å; A373-F409 HydrophobicContact CB-CE2 4.29Å; A373-W449 HydrophobicContact CB-CH2 4.07Å; A373-I462 HydrophobicContact CB-CG2 4.05Å; A373-I462 WeakPolarHBondContact O-CA 3.42Å; A373-V463 PolarHBondContact O-N 3.45Å |
| 374 | G | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q407 F408 F409 V463 V494 | G374-Q407 PolarHBondContact N-O 2.86Å; G374-F408 WeakPolarHBondContact O-CA 3.16Å; G374-F409 PolarHBondContact O-N 2.93Å; G374-V463 CarbonylContact C-O 3.55Å; G374-V463 VanDerWaalsContact CA-O 3.25Å; G374-V463 WeakPolarHBondContact CA-O 3.43Å; G374-V494 VanDerWaalsContact CA-CG1 3.47Å |
| 375 | L | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 115.6 | -177.3 | -54.1 | 92.9 | 0 | 0 | 0 | 110.3 | A373 F409 P444 W449 I462 V463 S464 S465 Y466 | A373-L375 HydrophobicContact CB-CD1 4.16Å; L375-F409 WeakPolarHBondContact CA-O 3.42Å; L375-F409 HydrophobicContact CD2-CB 4.45Å; L375-F409 HydrophobicContact CD2-CD2 4.35Å; L375-F409 HydrophobicContact CG-CB 4.33Å; L375-F409 HydrophobicContact CG-CD2 4.21Å; L375-P444 HydrophobicContact CD2-CB 3.54Å; L375-P444 HydrophobicContact CD2-CG 3.81Å; L375-W449 HydrophobicContact CD2-CH2 4.37Å; L375-W449 HydrophobicContact CD2-CZ3 4.24Å; L375-I462 HydrophobicContact CD1-CB 4.29Å; L375-V463 PolarHBondContact N-O 2.83Å; L375-S464 CarbonylContact O-C 3.45Å; L375-S464 WeakPolarHBondContact O-CA 3.4Å; L375-S465 PolarHBondContact O-N 2.88Å; L375-Y466 HydrophobicContact CB-CE1 4.35Å; L375-Y466 HydrophobicContact CB-CE2 4.13Å; L375-Y466 WeakPolarHBondContact CB-OH 3.1Å; L375-Y466 HydrophobicContact CD2-CE2 4.21Å |
| 376 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 157.6 | 173.9 | 64.6 | 164 | 0 | 0 | 0 | 111.8 | M387 A390 F408 F409 I410 T411 F430 S465 P487 V490 | I376-M387 HydrophobicContact CD1-SD 4.29Å; I376-A390 HydrophobicContact CD1-CB 3.85Å; I376-F408 HydrophobicContact CB-CE2 4.5Å; I376-F408 HydrophobicContact CD1-CE1 4.43Å; I376-F408 HydrophobicContact CD1-CE2 4.37Å; I376-F408 HydrophobicContact CD1-CZ 3.67Å; I376-F408 HydrophobicContact CG1-CE2 4.03Å; I376-F408 HydrophobicContact CG1-CZ 3.79Å; I376-F408 HydrophobicContact CG2-CE2 3.81Å; I376-F408 HydrophobicContact CG2-CZ 4.11Å; I376-F409 PolarHBondContact N-O 2.86Å; I376-I410 HydrophobicContact CD1-CG1 3.91Å; I376-I410 HydrophobicContact CD1-CG2 4.11Å; I376-I410 HydrophobicContact CG1-CB 4.16Å; I376-I410 HydrophobicContact CG1-CG1 3.76Å; I376-I410 HydrophobicContact CG1-CG2 4.07Å; I376-T411 PolarHBondContact O-N 3.47Å; I376-F430 HydrophobicContact CD1-CE1 4.01Å; I376-F430 HydrophobicContact CD1-CE2 4.42Å; I376-F430 HydrophobicContact CD1-CZ 3.81Å; I376-S465 VanDerWaalsContact CA-OG 3.27Å; I376-S465 WeakPolarHBondContact CA-OG 3.22Å; I376-P487 HydrophobicContact CB-CB 3.96Å; I376-P487 HydrophobicContact CG2-CB 3.83Å; I376-P487 WeakPolarHBondContact CG2-O 3.45Å; I376-V490 HydrophobicContact CG2-CB 3.63Å; I376-V490 HydrophobicContact CG2-CG1 3.5Å; I376-V490 HydrophobicContact CG2-CG2 4.32Å |
| 377 | G | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.9 | -138.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N381 T411 S465 | G377-N381 WeakPolarHBondContact CA-O 3.39Å; G377-N381 PolarHBondContact N-O 3.38Å; G377-T411 WeakPolarHBondContact CA-O 3.36Å; G377-S465 PolarHBondContact N-OG 3.24Å; G377-S465 PolarHBondContact O-OG 2.93Å |
| 378 | S | 94 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 178.3 | -166.1 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | T380 S382 T411 C445 Y466 | S378-T380 PolarHBondContact O-N 3.35Å; S378-T380 VanDerWaalsContact O-N 3.09Å; S378-S382 WeakPolarHBondContact O-CB 3.26Å; S378-S382 PolarHBondContact O-N 3.36Å; S378-S382 PolarHBondContact O-OG 3.34Å; S378-T411 PolarHBondContact N-O 2.75Å; S378-C445 PolarHBondContact OG-SG 2.82Å; S378-C445 VanDerWaalsContact OG-SG 3.38Å; S378-Y466 VanDerWaalsContact CB-CE1 3.48Å |
| 379 | C | 90.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 5% | 0.047 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.4 | -177 | 56.7 | 0 | 0 | 0 | 0 | 115.5 | I165 H167 N278 | I165-C379 HydrophobicContact CB-CB 4.49Å; I165-C379 HydrophobicContact CG2-CB 3.69Å; H167-C379 HydrophobicContact CB-CB 3.93Å; N278-C379 PolarHBondContact ND2-SG 3.41Å |
| 380 | T | 96.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.012 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -40.4 | -174.1 | -47.1 | 0 | 0 | 0 | 0 | 112.8 | K238 T275 N278 S378 N467 | K238-T380 HydrophobicContact CD-CG2 4.48Å; T275-T380 WeakPolarHBondContact CB-O 3.38Å; T275-T380 HydrophobicContact CG2-CG2 4.09Å; T275-T380 PolarHBondContact OG1-O 3.4Å; N278-T380 HydrophobicContact CB-CG2 4.42Å; N278-T380 PolarHBondContact OD1-OG1 2.67Å; S378-T380 PolarHBondContact O-N 3.35Å; S378-T380 VanDerWaalsContact O-N 3.09Å; T380-N467 HydrophobicContact CG2-CB 4.38Å; T380-N467 PolarHBondContact OG1-ND2 2.72Å |
| 381 | N | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 6.5 Ų | 6.5 | 1% | 0.011 | 4% | 0.035 | C | C | . | . | B | Isolated β-bridge | trans | -144.1 | 60.4 | -171.5 | -76.4 | 114.9 | 0 | 0 | 0 | 111.2 | K238 T275 G377 D386 S465 P487 | K238-N381 WeakPolarHBondContact CD-OD1 3.35Å; K238-N381 PolarHBondContact NZ-OD1 2.83Å; T275-N381 WeakPolarHBondContact CG2-ND2 3.42Å; T275-N381 PolarHBondContact OG1-ND2 2.87Å; G377-N381 WeakPolarHBondContact CA-O 3.39Å; G377-N381 PolarHBondContact N-O 3.38Å; N381-D386 VanDerWaalsContact C-CG 3.45Å; N381-D386 VanDerWaalsContact CA-OD2 3.31Å; N381-D386 WeakPolarHBondContact CA-OD2 3.29Å; N381-D386 PolarHBondContact ND2-OD1 2.82Å; N381-S465 PolarHBondContact OD1-O 3.03Å; N381-S465 VanDerWaalsContact OD1-O 3.09Å; N381-P487 HydrophobicContact CB-CG 4.02Å |
| 382 | S | 97.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.007 | 4% | 0.04 | C | C | . | . | trans | -129.6 | 21 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | S378 D386 T411 G413 I417 | S378-S382 WeakPolarHBondContact O-CB 3.26Å; S378-S382 PolarHBondContact O-N 3.36Å; S378-S382 PolarHBondContact O-OG 3.34Å; S382-D386 PolarHBondContact N-OD2 2.73Å; S382-T411 WeakPolarHBondContact CB-O 3.32Å; S382-G413 WeakPolarHBondContact OG-CA 3.21Å; S382-G413 PolarHBondContact OG-N 3.37Å; S382-I417 WeakPolarHBondContact O-CG2 3.36Å | ||
| 383 | S | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 6.5 Ų | 6.5 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -68.9 | 169.1 | 173.5 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | E385 D386 M387 | S383-E385 PolarHBondContact O-N 3.1Å; S383-E385 PolarHBondContact OG-N 3.4Å; S383-D386 WeakPolarHBondContact CB-OD2 3.45Å; S383-D386 PolarHBondContact N-OD2 2.8Å; S383-D386 PolarHBondContact O-N 3.07Å; S383-D386 VanDerWaalsContact OG-CG 3.26Å; S383-D386 PolarHBondContact OG-N 2.74Å; S383-D386 PolarHBondContact OG-OD2 3.39Å; S383-M387 VanDerWaalsContact O-CG 3.27Å; S383-M387 WeakPolarHBondContact O-CG 3.07Å; S383-M387 PolarHBondContact O-N 3.36Å; S383-M387 VanDerWaalsContact O-N 3.08Å |
| 384 | Y | 98.7 | Very high | 97.7 | Very high | 19 Ų | 19 | 6.5 Ų | 6.5 | 8% | 0.075 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -57.2 | -40.5 | 171.5 | -179.2 | -88 | 0 | 0 | 0 | 111.6 | M387 A388 T420 I421 D424 I426 D524 P527 | Y384-M387 PolarHBondContact O-N 3.29Å; Y384-A388 HydrophobicContact CE1-CB 4.26Å; Y384-A388 VanDerWaalsContact O-CB 3.28Å; Y384-A388 WeakPolarHBondContact O-CB 3.34Å; Y384-A388 PolarHBondContact O-N 3.16Å; Y384-T420 HydrophobicContact CD2-CG2 3.81Å; Y384-T420 HydrophobicContact CE2-CG2 3.98Å; Y384-I421 HydrophobicContact CD2-CG2 3.96Å; Y384-I421 HydrophobicContact CE2-CG2 4.45Å; Y384-D424 HydrophobicContact CE2-CB 4.41Å; Y384-D424 WeakPolarHBondContact CE2-OD2 3.38Å; Y384-I426 HydrophobicContact CE2-CD1 3.93Å; Y384-D524 WeakPolarHBondContact CD1-O 3.46Å; Y384-D524 HydrophobicContact CE1-CB 4.2Å; Y384-P527 HydrophobicContact CD2-CB 4.1Å; Y384-P527 HydrophobicContact CE1-CB 4.38Å; Y384-P527 HydrophobicContact CE2-CB 3.88Å; Y384-P527 HydrophobicContact CG-CB 4.43Å |
| 385 | E | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 12.5 Ų | 12.5 | 11% | 0.107 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.9 | -49 | 176.5 | -175.9 | -178.6 | -177.7 | 0 | 0 | 112.1 | S269 T271 S383 M387 A388 R389 T525 | S269-E385 WeakPolarHBondContact CB-OE2 3.12Å; S269-E385 PolarHBondContact OG-OE2 3.03Å; T271-E385 PolarHBondContact OG1-OE2 3.19Å; S383-E385 PolarHBondContact O-N 3.1Å; S383-E385 PolarHBondContact OG-N 3.4Å; E385-M387 VanDerWaalsContact C-N 3.3Å; E385-M387 PolarHBondContact O-N 3.5Å; E385-A388 PolarHBondContact O-N 2.94Å; E385-R389 WeakPolarHBondContact O-CB 3.45Å; E385-R389 WeakPolarHBondContact O-CG 3.48Å; E385-R389 PolarHBondContact O-N 3.39Å; E385-T525 HydrophobicContact CG-CG2 4.32Å |
| 386 | D | 98.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 14.1 Ų | 14.1 | 8% | 0.075 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56 | -47.6 | 178 | -69.1 | -61.6 | 0 | 0 | 0 | 110.7 | N381 S382 S383 A390 P487 | N381-D386 VanDerWaalsContact C-CG 3.45Å; N381-D386 VanDerWaalsContact CA-OD2 3.31Å; N381-D386 WeakPolarHBondContact CA-OD2 3.29Å; N381-D386 PolarHBondContact ND2-OD1 2.82Å; S382-D386 PolarHBondContact N-OD2 2.73Å; S383-D386 WeakPolarHBondContact CB-OD2 3.45Å; S383-D386 PolarHBondContact N-OD2 2.8Å; S383-D386 PolarHBondContact O-N 3.07Å; S383-D386 VanDerWaalsContact OG-CG 3.26Å; S383-D386 PolarHBondContact OG-N 2.74Å; S383-D386 PolarHBondContact OG-OD2 3.39Å; D386-A390 WeakPolarHBondContact O-CB 3.19Å; D386-A390 PolarHBondContact O-N 3.15Å; D386-A390 VanDerWaalsContact O-N 3.08Å; D386-P487 HydrophobicContact CB-CG 3.78Å |
| 387 | M | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | -179.2 | -64.6 | -67.3 | 165.4 | 0 | 0 | 111.6 | I376 S383 Y384 E385 A391 I410 I421 I426 F430 | I376-M387 HydrophobicContact CD1-SD 4.29Å; S383-M387 VanDerWaalsContact O-CG 3.27Å; S383-M387 WeakPolarHBondContact O-CG 3.07Å; S383-M387 PolarHBondContact O-N 3.36Å; S383-M387 VanDerWaalsContact O-N 3.08Å; Y384-M387 PolarHBondContact O-N 3.29Å; E385-M387 VanDerWaalsContact C-N 3.3Å; E385-M387 PolarHBondContact O-N 3.5Å; M387-A391 WeakPolarHBondContact O-CB 3.42Å; M387-A391 PolarHBondContact O-N 3.17Å; M387-I410 HydrophobicContact CE-CG2 3.99Å; M387-I410 HydrophobicContact SD-CG2 3.69Å; M387-I421 HydrophobicContact CB-CG2 3.97Å; M387-I421 HydrophobicContact CG-CD1 4.27Å; M387-I421 HydrophobicContact CG-CG2 4.29Å; M387-I421 HydrophobicContact SD-CD1 4.35Å; M387-I426 HydrophobicContact CB-CG2 4.18Å; M387-F430 HydrophobicContact CB-CE2 4.47Å; M387-F430 WeakPolarHBondContact O-CZ 3.28Å; M387-F430 HydrophobicContact SD-CE2 4Å; M387-F430 HydrophobicContact SD-CZ 4.45Å |
| 388 | A | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 10% | 0.099 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y384 E385 A391 S392 I426 | Y384-A388 HydrophobicContact CE1-CB 4.26Å; Y384-A388 VanDerWaalsContact O-CB 3.28Å; Y384-A388 WeakPolarHBondContact O-CB 3.34Å; Y384-A388 PolarHBondContact O-N 3.16Å; E385-A388 PolarHBondContact O-N 2.94Å; A388-A391 PolarHBondContact O-N 3.03Å; A388-S392 PolarHBondContact O-N 3.11Å; A388-I426 HydrophobicContact CB-CD1 4.12Å |
| 389 | R | 98.5 | Very high | 97.6 | Very high | 33 Ų | 33 | 23.3 Ų | 23.3 | 13% | 0.125 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 177.3 | -74 | 178.7 | 64.9 | 83 | -6.5 | 111.7 | G233 E385 S392 E488 P521 T522 | G233-R389 PolarHBondContact O-NH2 3.13Å; E385-R389 WeakPolarHBondContact O-CB 3.45Å; E385-R389 WeakPolarHBondContact O-CG 3.48Å; E385-R389 PolarHBondContact O-N 3.39Å; R389-S392 WeakPolarHBondContact O-CB 3.38Å; R389-S392 PolarHBondContact O-N 3.26Å; R389-S392 PolarHBondContact O-OG 2.99Å; R389-E488 IonicContact CZ-OE1 2.76Å; R389-E488 IonicContact NE-OE1 2.71Å; R389-E488 PolarHBondContact NE-OE1 3.2Å; R389-E488 IonicContact NH2-OE1 2.73Å; R389-E488 PolarHBondContact NH2-OE1 3.04Å; R389-P521 HydrophobicContact CB-CB 4.18Å; R389-P521 PolarHBondContact NH1-O 3.35Å; R389-P521 VanDerWaalsContact NH2-CG 3.34Å; R389-T522 WeakPolarHBondContact CA-O 3.42Å |
| 390 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I376 D386 S392 L393 A394 F430 P487 T491 | I376-A390 HydrophobicContact CD1-CB 3.85Å; D386-A390 WeakPolarHBondContact O-CB 3.19Å; D386-A390 PolarHBondContact O-N 3.15Å; D386-A390 VanDerWaalsContact O-N 3.08Å; A390-S392 VanDerWaalsContact C-N 3.25Å; A390-S392 PolarHBondContact O-N 3.47Å; A390-L393 PolarHBondContact O-N 3.47Å; A390-A394 PolarHBondContact O-N 3.06Å; A390-A394 VanDerWaalsContact O-N 3.13Å; A390-F430 HydrophobicContact CB-CE1 3.91Å; A390-F430 HydrophobicContact CB-CZ 3.79Å; A390-P487 HydrophobicContact CB-CB 4.47Å; A390-T491 WeakPolarHBondContact CB-OG1 3.17Å |
| 391 | A | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | M387 A388 L393 A394 R395 I426 I429 F430 | M387-A391 WeakPolarHBondContact O-CB 3.42Å; M387-A391 PolarHBondContact O-N 3.17Å; A388-A391 PolarHBondContact O-N 3.03Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-L393 PolarHBondContact O-N 3.41Å; A391-A394 PolarHBondContact O-N 3.36Å; A391-R395 WeakPolarHBondContact O-CB 3.33Å; A391-R395 PolarHBondContact O-N 3.42Å; A391-I426 HydrophobicContact CB-CB 4.4Å; A391-I426 HydrophobicContact CB-CG1 4.21Å; A391-I426 HydrophobicContact CB-CG2 3.79Å; A391-I429 HydrophobicContact CB-CG2 4.46Å; A391-F430 HydrophobicContact CB-CE1 4.18Å; A391-F430 HydrophobicContact CB-CE2 4.41Å; A391-F430 HydrophobicContact CB-CZ 3.91Å |
| 392 | S | 98.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 11% | 0.112 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 175.7 | 80 | 0 | 0 | 0 | 0 | 112.3 | A388 R389 A390 Q396 P521 T522 | A388-S392 PolarHBondContact O-N 3.11Å; R389-S392 WeakPolarHBondContact O-CB 3.38Å; R389-S392 PolarHBondContact O-N 3.26Å; R389-S392 PolarHBondContact O-OG 2.99Å; A390-S392 VanDerWaalsContact C-N 3.25Å; A390-S392 PolarHBondContact O-N 3.47Å; S392-Q396 VanDerWaalsContact O-CG 3.3Å; S392-Q396 WeakPolarHBondContact O-CG 3.27Å; S392-Q396 PolarHBondContact O-N 2.94Å; S392-Q396 VanDerWaalsContact O-N 3.09Å; S392-P521 WeakPolarHBondContact OG-CA 3.45Å; S392-T522 WeakPolarHBondContact CB-O 3.19Å; S392-T522 PolarHBondContact OG-N 3.45Å; S392-T522 PolarHBondContact OG-O 3.25Å |
| 393 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.9 | -44.5 | 176 | -62.3 | 176.7 | 0 | 0 | 0 | 111 | W234 A390 A391 R395 Q396 A397 E488 T491 A492 F518 K519 P521 | W234-L393 HydrophobicContact CH2-CD1 3.73Å; W234-L393 HydrophobicContact CH2-CD2 3.63Å; W234-L393 HydrophobicContact CH2-CG 4.36Å; W234-L393 HydrophobicContact CZ2-CD2 4.23Å; W234-L393 HydrophobicContact CZ3-CD1 3.56Å; W234-L393 HydrophobicContact CZ3-CD2 4.23Å; A390-L393 PolarHBondContact O-N 3.47Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-L393 PolarHBondContact O-N 3.41Å; L393-R395 PolarHBondContact O-N 2.95Å; L393-Q396 PolarHBondContact O-N 2.78Å; L393-Q396 VanDerWaalsContact O-N 3.14Å; L393-A397 PolarHBondContact O-N 3.39Å; L393-E488 HydrophobicContact CD1-CB 3.8Å; L393-E488 WeakPolarHBondContact CD1-O 3.37Å; L393-T491 HydrophobicContact CB-CG2 4.22Å; L393-A492 HydrophobicContact CD1-CB 4.28Å; L393-F518 HydrophobicContact CB-CD1 4.25Å; L393-F518 HydrophobicContact CB-CE1 4.13Å; L393-F518 HydrophobicContact CD2-CB 4.28Å; L393-F518 HydrophobicContact CD2-CD1 3.84Å; L393-F518 HydrophobicContact CD2-CG 4.28Å; L393-F518 WeakPolarHBondContact O-CE1 3.27Å; L393-K519 WeakPolarHBondContact CD2-O 3.41Å; L393-P521 HydrophobicContact CD1-CB 4.23Å; L393-P521 HydrophobicContact CD2-CB 4.15Å; L393-P521 HydrophobicContact CG-CB 3.99Å |
| 394 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A390 A391 A397 L398 I429 F430 I433 T491 | A390-A394 PolarHBondContact O-N 3.06Å; A390-A394 VanDerWaalsContact O-N 3.13Å; A391-A394 PolarHBondContact O-N 3.36Å; A394-A397 PolarHBondContact O-N 3.41Å; A394-L398 WeakPolarHBondContact O-CB 3.47Å; A394-L398 PolarHBondContact O-N 2.77Å; A394-I429 HydrophobicContact CB-CG2 3.65Å; A394-F430 HydrophobicContact CB-CD1 4.38Å; A394-I433 HydrophobicContact CB-CD1 3.63Å; A394-I433 HydrophobicContact CB-CG1 4.32Å; A394-I433 HydrophobicContact CB-CG2 4.19Å; A394-T491 HydrophobicContact CB-CG2 4.48Å |
| 395 | R | 98.2 | Very high | 97.3 | Very high | 125 Ų | 125 | 43.7 Ų | 43.7 | 47% | 0.472 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65 | -46.3 | 175.6 | -169 | 179.9 | -61.2 | 173.2 | 3.3 | 112.2 | A391 L393 A397 L398 D399 I429 | A391-R395 WeakPolarHBondContact O-CB 3.33Å; A391-R395 PolarHBondContact O-N 3.42Å; L393-R395 PolarHBondContact O-N 2.95Å; R395-A397 VanDerWaalsContact C-N 3.27Å; R395-A397 PolarHBondContact O-N 3.24Å; R395-L398 PolarHBondContact O-N 2.86Å; R395-L398 VanDerWaalsContact O-N 3.17Å; R395-D399 WeakPolarHBondContact O-CB 3.36Å; R395-D399 PolarHBondContact O-N 3.5Å; R395-I429 HydrophobicContact CB-CG2 4.36Å |
| 396 | Q | 97.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 43 Ų | 43 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.9 | -41.7 | 177.3 | -69.6 | 174 | 45.1 | 0 | 0 | 112.3 | S392 L393 F516 F518 K519 | S392-Q396 VanDerWaalsContact O-CG 3.3Å; S392-Q396 WeakPolarHBondContact O-CG 3.27Å; S392-Q396 PolarHBondContact O-N 2.94Å; S392-Q396 VanDerWaalsContact O-N 3.09Å; L393-Q396 PolarHBondContact O-N 2.78Å; L393-Q396 VanDerWaalsContact O-N 3.14Å; Q396-F516 HydrophobicContact CB-CE2 4.13Å; Q396-F516 HydrophobicContact CB-CZ 3.74Å; Q396-F518 HydrophobicContact CB-CD1 4.36Å; Q396-K519 PolarHBondContact NE2-O 3.25Å; Q396-K519 PolarHBondContact OE1-O 3.14Å |
| 397 | A | 97 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L393 A394 R395 D399 K400 G401 V402 F495 F516 F518 | L393-A397 PolarHBondContact O-N 3.39Å; A394-A397 PolarHBondContact O-N 3.41Å; R395-A397 VanDerWaalsContact C-N 3.27Å; R395-A397 PolarHBondContact O-N 3.24Å; A397-D399 PolarHBondContact O-N 2.7Å; A397-K400 CarbonylContact O-C 3.46Å; A397-K400 PolarHBondContact O-N 3.36Å; A397-K400 VanDerWaalsContact O-N 3.1Å; A397-G401 PolarHBondContact O-N 2.83Å; A397-V402 HydrophobicContact CB-CB 4.13Å; A397-V402 PolarHBondContact O-N 3.34Å; A397-F495 HydrophobicContact CB-CD1 3.89Å; A397-F495 HydrophobicContact CB-CD2 4.28Å; A397-F495 HydrophobicContact CB-CE1 3.39Å; A397-F495 HydrophobicContact CB-CE2 3.84Å; A397-F495 HydrophobicContact CB-CG 4.32Å; A397-F495 HydrophobicContact CB-CZ 3.37Å; A397-F516 HydrophobicContact CB-CE1 4.42Å; A397-F518 HydrophobicContact CB-CE1 3.97Å; A397-F518 HydrophobicContact CB-CZ 4.1Å |
| 398 | L | 95.7 | Very high | 97.3 | Very high | 76 Ų | 76 | 46.3 Ų | 46.3 | 40% | 0.398 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 177.3 | -174.2 | 68 | 0 | 0 | 0 | 111.8 | A394 R395 K400 G401 I433 | A394-L398 WeakPolarHBondContact O-CB 3.47Å; A394-L398 PolarHBondContact O-N 2.77Å; R395-L398 PolarHBondContact O-N 2.86Å; R395-L398 VanDerWaalsContact O-N 3.17Å; L398-K400 PolarHBondContact O-N 3.07Å; L398-K400 VanDerWaalsContact O-N 3.11Å; L398-G401 PolarHBondContact O-N 3.37Å; L398-I433 HydrophobicContact CB-CG2 4.26Å; L398-I433 HydrophobicContact CD1-CG2 4.43Å |
| 399 | D | 95.3 | Very high | 97.3 | Very high | 117 Ų | 117 | 46.8 Ų | 46.8 | 63% | 0.626 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.7 | 178.4 | -66.5 | -16.5 | 0 | 0 | 0 | 112.8 | R395 A397 | R395-D399 WeakPolarHBondContact O-CB 3.36Å; R395-D399 PolarHBondContact O-N 3.5Å; A397-D399 PolarHBondContact O-N 2.7Å |
| 400 | K | 94.9 | Very high | 97.3 | Very high | 112 Ų | 112 | 45.2 Ų | 45.2 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 2.5 | 176.8 | -66.3 | -62.9 | -174.5 | -178.2 | 0 | 113.6 | A397 L398 V402 A510 F516 | A397-K400 CarbonylContact O-C 3.46Å; A397-K400 PolarHBondContact O-N 3.36Å; A397-K400 VanDerWaalsContact O-N 3.1Å; L398-K400 PolarHBondContact O-N 3.07Å; L398-K400 VanDerWaalsContact O-N 3.11Å; K400-V402 HydrophobicContact CB-CG2 4.08Å; K400-V402 PolarHBondContact O-N 3.44Å; K400-A510 WeakPolarHBondContact O-CB 3.25Å; K400-F516 HydrophobicContact CB-CD2 4.22Å; K400-F516 HydrophobicContact CB-CG 4.27Å; K400-F516 HydrophobicContact CG-CD2 3.61Å; K400-F516 HydrophobicContact CG-CE2 4.04Å; K400-F516 HydrophobicContact CG-CG 4.13Å |
| 401 | G | 94.3 | Very high | 97.3 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 21.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | A397 L398 | A397-G401 PolarHBondContact O-N 2.83Å; L398-G401 PolarHBondContact O-N 3.37Å |
| 402 | V | 96.2 | Very high | 97.2 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -81.8 | 129.4 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 109 | A397 K400 F495 L508 A510 F516 | A397-V402 HydrophobicContact CB-CB 4.13Å; A397-V402 PolarHBondContact O-N 3.34Å; K400-V402 HydrophobicContact CB-CG2 4.08Å; K400-V402 PolarHBondContact O-N 3.44Å; V402-F495 HydrophobicContact CG1-CD1 4.01Å; V402-F495 WeakPolarHBondContact O-CE1 3.01Å; V402-L508 HydrophobicContact CG1-CB 4.21Å; V402-L508 HydrophobicContact CG1-CD1 3.91Å; V402-A510 HydrophobicContact CG2-CB 3.91Å; V402-F516 HydrophobicContact CG2-CB 4.29Å; V402-F516 HydrophobicContact CG2-CD1 3.9Å; V402-F516 HydrophobicContact CG2-CG 4.31Å |
| 403 | K | 94.9 | Very high | 97.2 | Very high | 138 Ų | 138 | 44.4 Ų | 44.4 | 60% | 0.6 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -100 | 149.4 | -178.3 | -63.7 | 175.5 | -179.5 | 154.3 | 0 | 111.7 | D511 | K403-D511 VanDerWaalsContact CE-OD2 3.23Å; K403-D511 WeakPolarHBondContact CE-OD2 3.47Å; K403-D511 IonicContact NZ-OD2 2.7Å; K403-D511 PolarHBondContact NZ-OD2 2.97Å |
| 404 | I | 97.3 | Very high | 97.2 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 19% | 0.19 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 148.6 | 170.2 | 63 | 177.7 | 0 | 0 | 0 | 110.5 | S406 F408 I433 V494 F495 | I404-S406 WeakPolarHBondContact CD1-O 3.5Å; I404-F408 HydrophobicContact CD1-CB 4.05Å; I404-I433 WeakPolarHBondContact CD1-O 3.41Å; I404-I433 VanDerWaalsContact CG1-O 3.26Å; I404-I433 WeakPolarHBondContact CG1-O 3.5Å; I404-I433 HydrophobicContact CG2-CB 4.4Å; I404-I433 HydrophobicContact CG2-CD1 4.02Å; I404-V494 HydrophobicContact CG2-CG2 4.19Å; I404-F495 HydrophobicContact CB-CD1 4.43Å; I404-F495 HydrophobicContact CB-CE1 4.43Å; I404-F495 HydrophobicContact CG2-CD1 3.75Å; I404-F495 HydrophobicContact CG2-CD2 4.28Å; I404-F495 HydrophobicContact CG2-CE1 3.45Å; I404-F495 VanDerWaalsContact CG2-CE1 3.45Å; I404-F495 HydrophobicContact CG2-CE2 4.01Å; I404-F495 HydrophobicContact CG2-CG 4.15Å; I404-F495 HydrophobicContact CG2-CZ 3.59Å |
| 405 | K | 97.4 | Very high | 97.2 | Very high | 127 Ų | 127 | 45 Ų | 45 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -110.8 | -8 | 178.2 | -62.5 | -178.7 | -167.2 | 167.6 | 0 | 113.3 | V494 F495 G496 | K405-V494 PolarHBondContact N-O 2.88Å; K405-F495 WeakPolarHBondContact CD-O 3.33Å; K405-F495 VanDerWaalsContact CE-O 3.32Å; K405-F495 WeakPolarHBondContact CE-O 3.21Å; K405-G496 WeakPolarHBondContact CD-O 3.5Å; K405-G496 PolarHBondContact NZ-O 3.34Å |
| 406 | S | 98 | Very high | 97.2 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -125.7 | 155.3 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | I371 I404 V494 | I371-S406 VanDerWaalsContact O-CB 3.28Å; I371-S406 WeakPolarHBondContact O-CB 3.11Å; I371-S406 PolarHBondContact O-OG 3.15Å; I404-S406 WeakPolarHBondContact CD1-O 3.5Å; S406-V494 PolarHBondContact N-O 3.48Å |
| 407 | Q | 97.8 | Very high | 97.3 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 39% | 0.388 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 146.3 | 170 | -65.4 | -174.3 | -6.6 | 0 | 0 | 110 | S372 A373 G374 F409 | S372-Q407 PolarHBondContact O-N 3.44Å; A373-Q407 CarbonylContact C-O 3.3Å; A373-Q407 WeakPolarHBondContact CA-O 3.37Å; A373-Q407 HydrophobicContact CB-CB 4.17Å; G374-Q407 PolarHBondContact N-O 2.86Å; Q407-F409 HydrophobicContact CB-CE2 3.78Å; Q407-F409 HydrophobicContact CB-CZ 4.29Å |
| 408 | F | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 122 | -176.9 | -170.4 | -132.2 | 0 | 0 | 0 | 111.5 | G374 I376 I404 I410 F430 I433 G435 V436 V490 T491 V494 | G374-F408 WeakPolarHBondContact O-CA 3.16Å; I376-F408 HydrophobicContact CB-CE2 4.5Å; I376-F408 HydrophobicContact CD1-CE1 4.43Å; I376-F408 HydrophobicContact CD1-CE2 4.37Å; I376-F408 HydrophobicContact CD1-CZ 3.67Å; I376-F408 HydrophobicContact CG1-CE2 4.03Å; I376-F408 HydrophobicContact CG1-CZ 3.79Å; I376-F408 HydrophobicContact CG2-CE2 3.81Å; I376-F408 HydrophobicContact CG2-CZ 4.11Å; I404-F408 HydrophobicContact CD1-CB 4.05Å; F408-I410 HydrophobicContact CD1-CD1 3.75Å; F408-I410 HydrophobicContact CD1-CG1 4.38Å; F408-I410 HydrophobicContact CE1-CD1 3.83Å; F408-I410 HydrophobicContact CE1-CG1 3.98Å; F408-I410 HydrophobicContact CG-CD1 4.4Å; F408-I410 HydrophobicContact CZ-CG1 4.3Å; F408-F430 AromaticContact CE1-CD1 3.81Å; F408-F430 HydrophobicContact CE1-CD1 3.81Å; F408-F430 HydrophobicContact CE1-CE1 4.19Å; F408-F430 HydrophobicContact CZ-CE1 4.5Å; F408-I433 HydrophobicContact CD1-CD1 3.94Å; F408-I433 HydrophobicContact CE1-CD1 4Å; F408-G435 CarbonylContact O-C 3.57Å; F408-G435 WeakPolarHBondContact O-CA 3.5Å; F408-V436 PolarHBondContact O-N 2.82Å; F408-V490 HydrophobicContact CE2-CG1 4.11Å; F408-T491 HydrophobicContact CZ-CG2 4.16Å; F408-T491 WeakPolarHBondContact CZ-OG1 3.14Å; F408-V494 HydrophobicContact CB-CG2 4.5Å; F408-V494 HydrophobicContact CD2-CB 4.49Å; F408-V494 HydrophobicContact CD2-CG1 3.98Å; F408-V494 HydrophobicContact CD2-CG2 3.86Å; F408-V494 HydrophobicContact CE2-CG2 4.21Å; F408-V494 HydrophobicContact CG-CG2 4.14Å |
| 409 | F | 98.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139 | -177.3 | -61.1 | -81.5 | 0 | 0 | 0 | 111 | A373 G374 L375 I376 Q407 V436 L438 W449 | A373-F409 HydrophobicContact CB-CE2 4.29Å; G374-F409 PolarHBondContact O-N 2.93Å; L375-F409 WeakPolarHBondContact CA-O 3.42Å; L375-F409 HydrophobicContact CD2-CB 4.45Å; L375-F409 HydrophobicContact CD2-CD2 4.35Å; L375-F409 HydrophobicContact CG-CB 4.33Å; L375-F409 HydrophobicContact CG-CD2 4.21Å; I376-F409 PolarHBondContact N-O 2.86Å; Q407-F409 HydrophobicContact CB-CE2 3.78Å; Q407-F409 HydrophobicContact CB-CZ 4.29Å; F409-V436 WeakPolarHBondContact CA-O 3.45Å; F409-V436 HydrophobicContact CD1-CB 3.89Å; F409-V436 HydrophobicContact CD1-CG1 4.33Å; F409-V436 HydrophobicContact CE1-CB 4.14Å; F409-V436 HydrophobicContact CE1-CG1 4.49Å; F409-V436 HydrophobicContact CE1-CG2 4.43Å; F409-L438 HydrophobicContact CB-CD1 3.95Å; F409-L438 HydrophobicContact CB-CG 4.33Å; F409-L438 HydrophobicContact CD1-CD1 4.29Å; F409-L438 HydrophobicContact CD1-CD2 4.01Å; F409-L438 HydrophobicContact CD1-CG 4.3Å; F409-L438 HydrophobicContact CG-CD1 4.42Å; F409-W449 HydrophobicContact CD2-CZ2 4.37Å; F409-W449 HydrophobicContact CE2-CH2 4.49Å; F409-W449 AromaticContact CE2-CZ2 3.76Å; F409-W449 HydrophobicContact CE2-CZ2 3.76Å; F409-W449 HydrophobicContact CZ-CZ2 4.19Å |
| 410 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121.9 | -176.2 | -55.6 | 88.9 | 0 | 0 | 0 | 109.2 | I376 M387 F408 F430 V436 V437 L438 | I376-I410 HydrophobicContact CD1-CG1 3.91Å; I376-I410 HydrophobicContact CD1-CG2 4.11Å; I376-I410 HydrophobicContact CG1-CB 4.16Å; I376-I410 HydrophobicContact CG1-CG1 3.76Å; I376-I410 HydrophobicContact CG1-CG2 4.07Å; M387-I410 HydrophobicContact CE-CG2 3.99Å; M387-I410 HydrophobicContact SD-CG2 3.69Å; F408-I410 HydrophobicContact CD1-CD1 3.75Å; F408-I410 HydrophobicContact CD1-CG1 4.38Å; F408-I410 HydrophobicContact CE1-CD1 3.83Å; F408-I410 HydrophobicContact CE1-CG1 3.98Å; F408-I410 HydrophobicContact CG-CD1 4.4Å; F408-I410 HydrophobicContact CZ-CG1 4.3Å; I410-F430 HydrophobicContact CD1-CB 3.89Å; I410-F430 HydrophobicContact CD1-CG 4.22Å; I410-F430 HydrophobicContact CG1-CB 4.19Å; I410-F430 HydrophobicContact CG1-CD1 4.34Å; I410-F430 HydrophobicContact CG1-CD2 4.15Å; I410-F430 HydrophobicContact CG1-CG 3.99Å; I410-F430 HydrophobicContact CG2-CD2 4.18Å; I410-F430 HydrophobicContact CG2-CE2 4.24Å; I410-V436 PolarHBondContact N-O 2.71Å; I410-V437 HydrophobicContact CB-CG2 4.43Å; I410-V437 CarbonylContact O-C 3.35Å; I410-V437 WeakPolarHBondContact O-CA 3.11Å; I410-L438 PolarHBondContact O-N 2.67Å |
| 411 | T | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 104.9 | 177.3 | -64.3 | 0 | 0 | 0 | 0 | 110.5 | I165 I376 G377 S378 S382 A441 | I165-T411 HydrophobicContact CD1-CG2 4.15Å; I376-T411 PolarHBondContact O-N 3.47Å; G377-T411 WeakPolarHBondContact CA-O 3.36Å; S378-T411 PolarHBondContact N-O 2.75Å; S382-T411 WeakPolarHBondContact CB-O 3.32Å; T411-A441 WeakPolarHBondContact CG2-O 3.46Å |
| 412 | P | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -62.3 | 143.9 | 169.6 | -17.3 | 30.9 | 0 | 0 | 0 | 110.9 | I417 R418 I421 V437 N440 | P412-I417 HydrophobicContact CB-CG2 4.26Å; P412-R418 HydrophobicContact CB-CB 3.84Å; P412-R418 HydrophobicContact CB-CG 4.42Å; P412-R418 HydrophobicContact CG-CB 4.02Å; P412-R418 HydrophobicContact CG-CG 4.03Å; P412-I421 HydrophobicContact CG-CD1 4.33Å; P412-V437 HydrophobicContact CG-CG1 4.09Å; P412-N440 WeakPolarHBondContact CB-OD1 3.46Å; P412-N440 WeakPolarHBondContact O-CA 3.11Å | ||
| 413 | G | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -75 | -27.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G164 I165 Q168 S382 | G164-G413 CarbonylContact C-O 3.54Å; G164-G413 WeakPolarHBondContact CA-O 3.46Å; I165-G413 PolarHBondContact N-O 3.05Å; Q168-G413 WeakPolarHBondContact CB-O 3.48Å; S382-G413 WeakPolarHBondContact OG-CA 3.21Å; S382-G413 PolarHBondContact OG-N 3.37Å |
| 414 | S | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -150.9 | 165.8 | -179.8 | 70.2 | 0 | 0 | 0 | 0 | 111.9 | S163 E172 Q416 I417 R418 | S163-S414 WeakPolarHBondContact O-CA 3.43Å; E172-S414 VanDerWaalsContact CD-OG 3.29Å; E172-S414 PolarHBondContact OE1-OG 3.07Å; E172-S414 VanDerWaalsContact OE2-CB 3.26Å; E172-S414 WeakPolarHBondContact OE2-CB 3.41Å; E172-S414 PolarHBondContact OE2-OG 3.32Å; S414-Q416 PolarHBondContact O-N 3.49Å; S414-Q416 PolarHBondContact OG-N 2.75Å; S414-I417 PolarHBondContact O-N 2.97Å; S414-I417 PolarHBondContact OG-N 3.32Å; S414-R418 WeakPolarHBondContact O-CB 3.27Å; S414-R418 PolarHBondContact O-N 2.78Å |
| 415 | E | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 5% | 0.047 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.8 | -37.2 | 170.6 | 175.2 | 54.3 | -162.5 | 0 | 0 | 111.5 | S163 R418 A419 N440 G534 Q535 | S163-E415 WeakPolarHBondContact O-CB 3.26Å; S163-E415 PolarHBondContact O-N 3.45Å; E415-R418 PolarHBondContact O-N 3.06Å; E415-R418 IonicContact OE1-CZ 2.68Å; E415-R418 IonicContact OE1-NE 4Å; E415-R418 IonicContact OE1-NH2 3.66Å; E415-R418 PolarHBondContact OE1-NH2 3.34Å; E415-R418 IonicContact OE2-CZ 3.94Å; E415-R418 IonicContact OE2-NE 2.72Å; E415-R418 PolarHBondContact OE2-NE 2.84Å; E415-R418 IonicContact OE2-NH2 3.31Å; E415-R418 PolarHBondContact OE2-NH2 3.24Å; E415-A419 VanDerWaalsContact O-CB 3.29Å; E415-A419 WeakPolarHBondContact O-CB 3.4Å; E415-A419 PolarHBondContact O-N 3.25Å; E415-N440 WeakPolarHBondContact CA-ND2 3.46Å; E415-N440 PolarHBondContact N-ND2 3.15Å; E415-N440 PolarHBondContact OE2-ND2 2.89Å; E415-G534 WeakPolarHBondContact OE1-CA 3.35Å; E415-Q535 HydrophobicContact CG-CB 4.2Å; E415-Q535 PolarHBondContact OE1-N 2.93Å |
| 416 | Q | 98.3 | Very high | 98.3 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 11% | 0.107 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 174.1 | 170.4 | 166.2 | 79.5 | 0 | 0 | 111.6 | S414 T420 F531 D532 | S414-Q416 PolarHBondContact O-N 3.49Å; S414-Q416 PolarHBondContact OG-N 2.75Å; Q416-T420 VanDerWaalsContact O-CB 3.26Å; Q416-T420 WeakPolarHBondContact O-CB 3.33Å; Q416-T420 PolarHBondContact O-N 2.99Å; Q416-T420 PolarHBondContact O-OG1 2.85Å; Q416-F531 HydrophobicContact CG-CB 3.78Å; Q416-F531 HydrophobicContact CG-CD1 3.86Å; Q416-F531 HydrophobicContact CG-CG 4.06Å; Q416-D532 VanDerWaalsContact CA-O 3.29Å; Q416-D532 WeakPolarHBondContact CA-O 3.36Å; Q416-D532 WeakPolarHBondContact CG-O 3.29Å; Q416-D532 VanDerWaalsContact O-O 3.09Å |
| 417 | I | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.6 | -50.4 | 174.7 | -65.5 | -55.6 | 0 | 0 | 0 | 110.2 | Q168 E172 S382 P412 S414 A419 T420 I421 F531 | Q168-I417 HydrophobicContact CG-CG1 4.49Å; E172-I417 WeakPolarHBondContact OE1-CG1 3.46Å; S382-I417 WeakPolarHBondContact O-CG2 3.36Å; P412-I417 HydrophobicContact CB-CG2 4.26Å; S414-I417 PolarHBondContact O-N 2.97Å; S414-I417 PolarHBondContact OG-N 3.32Å; I417-A419 PolarHBondContact O-N 3.11Å; I417-T420 PolarHBondContact O-N 2.86Å; I417-T420 VanDerWaalsContact O-N 3.14Å; I417-I421 HydrophobicContact CG2-CG2 4.05Å; I417-I421 WeakPolarHBondContact O-CG1 3.11Å; I417-I421 WeakPolarHBondContact O-CG2 3.17Å; I417-I421 PolarHBondContact O-N 3.01Å; I417-F531 HydrophobicContact CD1-CD1 4.36Å; I417-F531 HydrophobicContact CD1-CE1 3.71Å |
| 418 | R | 98.4 | Very high | 98.3 | Very high | 54 Ų | 54 | 26 Ų | 26 | 20% | 0.204 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.8 | -51.8 | -178.3 | -172 | -156.4 | 67.2 | 67.5 | 8.3 | 111.5 | P412 S414 E415 T420 I421 E422 N440 | P412-R418 HydrophobicContact CB-CB 3.84Å; P412-R418 HydrophobicContact CB-CG 4.42Å; P412-R418 HydrophobicContact CG-CB 4.02Å; P412-R418 HydrophobicContact CG-CG 4.03Å; S414-R418 WeakPolarHBondContact O-CB 3.27Å; S414-R418 PolarHBondContact O-N 2.78Å; E415-R418 PolarHBondContact O-N 3.06Å; E415-R418 IonicContact OE1-CZ 2.68Å; E415-R418 IonicContact OE1-NE 4Å; E415-R418 IonicContact OE1-NH2 3.66Å; E415-R418 PolarHBondContact OE1-NH2 3.34Å; E415-R418 IonicContact OE2-CZ 3.94Å; E415-R418 IonicContact OE2-NE 2.72Å; E415-R418 PolarHBondContact OE2-NE 2.84Å; E415-R418 IonicContact OE2-NH2 3.31Å; E415-R418 PolarHBondContact OE2-NH2 3.24Å; R418-T420 VanDerWaalsContact C-N 3.34Å; R418-T420 PolarHBondContact O-N 3.08Å; R418-I421 WeakPolarHBondContact O-CG1 3.49Å; R418-E422 IonicContact CZ-OE2 2.98Å; R418-E422 IonicContact NH1-OE2 2.71Å; R418-E422 PolarHBondContact NH1-OE2 3.29Å; R418-E422 IonicContact NH2-OE2 3.91Å; R418-E422 VanDerWaalsContact O-CB 3.29Å; R418-E422 WeakPolarHBondContact O-CB 3.46Å; R418-E422 PolarHBondContact O-N 2.81Å; R418-N440 WeakPolarHBondContact CB-OD1 3.29Å |
| 419 | A | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 5% | 0.05 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E415 I417 E422 R423 D532 | E415-A419 VanDerWaalsContact O-CB 3.29Å; E415-A419 WeakPolarHBondContact O-CB 3.4Å; E415-A419 PolarHBondContact O-N 3.25Å; I417-A419 PolarHBondContact O-N 3.11Å; A419-E422 PolarHBondContact O-N 2.9Å; A419-R423 WeakPolarHBondContact O-CB 3.39Å; A419-R423 PolarHBondContact O-N 3.1Å; A419-D532 HydrophobicContact CB-CB 3.99Å |
| 420 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.7 | -48.2 | 179.7 | -57 | 0 | 0 | 0 | 0 | 112.1 | Y384 Q416 I417 R418 E422 R423 D424 P527 F531 D532 | Y384-T420 HydrophobicContact CD2-CG2 3.81Å; Y384-T420 HydrophobicContact CE2-CG2 3.98Å; Q416-T420 VanDerWaalsContact O-CB 3.26Å; Q416-T420 WeakPolarHBondContact O-CB 3.33Å; Q416-T420 PolarHBondContact O-N 2.99Å; Q416-T420 PolarHBondContact O-OG1 2.85Å; I417-T420 PolarHBondContact O-N 2.86Å; I417-T420 VanDerWaalsContact O-N 3.14Å; R418-T420 VanDerWaalsContact C-N 3.34Å; R418-T420 PolarHBondContact O-N 3.08Å; T420-E422 VanDerWaalsContact C-N 3.28Å; T420-E422 PolarHBondContact O-N 3.37Å; T420-R423 PolarHBondContact O-N 3.23Å; T420-D424 WeakPolarHBondContact O-CB 3.18Å; T420-D424 PolarHBondContact O-N 3.12Å; T420-P527 HydrophobicContact CG2-CB 3.71Å; T420-P527 HydrophobicContact CG2-CG 3.93Å; T420-F531 HydrophobicContact CG2-CD1 4.1Å; T420-D532 PolarHBondContact OG1-N 3.04Å; T420-D532 PolarHBondContact OG1-O 2.83Å |
| 421 | I | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.4 | -26.2 | -179.4 | 66.9 | 164.5 | 0 | 0 | 0 | 112.2 | Y384 M387 P412 I417 R418 G425 I426 T427 | Y384-I421 HydrophobicContact CD2-CG2 3.96Å; Y384-I421 HydrophobicContact CE2-CG2 4.45Å; M387-I421 HydrophobicContact CB-CG2 3.97Å; M387-I421 HydrophobicContact CG-CD1 4.27Å; M387-I421 HydrophobicContact CG-CG2 4.29Å; M387-I421 HydrophobicContact SD-CD1 4.35Å; P412-I421 HydrophobicContact CG-CD1 4.33Å; I417-I421 HydrophobicContact CG2-CG2 4.05Å; I417-I421 WeakPolarHBondContact O-CG1 3.11Å; I417-I421 WeakPolarHBondContact O-CG2 3.17Å; I417-I421 PolarHBondContact O-N 3.01Å; R418-I421 WeakPolarHBondContact O-CG1 3.49Å; I421-G425 PolarHBondContact O-N 3.15Å; I421-I426 HydrophobicContact CB-CB 3.96Å; I421-I426 HydrophobicContact CB-CD1 4.42Å; I421-I426 HydrophobicContact CB-CG2 4.04Å; I421-I426 HydrophobicContact CG2-CD1 4.24Å; I421-I426 HydrophobicContact CG2-CG2 4.47Å; I421-I426 WeakPolarHBondContact O-CB 3.39Å; I421-I426 PolarHBondContact O-N 2.94Å; I421-T427 WeakPolarHBondContact CG1-OG1 3.39Å; I421-T427 PolarHBondContact O-N 3.17Å |
| 422 | E | 98.2 | Very high | 98.3 | Very high | 107 Ų | 107 | 34 Ų | 34 | 50% | 0.5 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70.4 | -50.6 | 171.7 | -178.5 | 170.2 | -137.9 | 0 | 0 | 111 | R418 A419 T420 D424 G425 T427 | R418-E422 IonicContact CZ-OE2 2.98Å; R418-E422 IonicContact NH1-OE2 2.71Å; R418-E422 PolarHBondContact NH1-OE2 3.29Å; R418-E422 IonicContact NH2-OE2 3.91Å; R418-E422 VanDerWaalsContact O-CB 3.29Å; R418-E422 WeakPolarHBondContact O-CB 3.46Å; R418-E422 PolarHBondContact O-N 2.81Å; A419-E422 PolarHBondContact O-N 2.9Å; T420-E422 VanDerWaalsContact C-N 3.28Å; T420-E422 PolarHBondContact O-N 3.37Å; E422-D424 PolarHBondContact O-N 3.36Å; E422-G425 PolarHBondContact O-N 2.98Å; E422-T427 WeakPolarHBondContact CA-OG1 3.43Å; E422-T427 PolarHBondContact N-OG1 3Å |
| 423 | R | 98.2 | Very high | 98.2 | Very high | 85 Ų | 85 | 34.8 Ų | 34.8 | 32% | 0.321 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -54.7 | -41.1 | 175.4 | -177.2 | -157.2 | 69.2 | -162.2 | -6.2 | 112.1 | A419 T420 G425 G530 | A419-R423 WeakPolarHBondContact O-CB 3.39Å; A419-R423 PolarHBondContact O-N 3.1Å; T420-R423 PolarHBondContact O-N 3.23Å; R423-G425 VanDerWaalsContact C-N 3.26Å; R423-G425 PolarHBondContact O-N 3.21Å; R423-G530 VanDerWaalsContact CZ-O 3.31Å; R423-G530 PolarHBondContact NH1-O 2.86Å; R423-G530 PolarHBondContact NH2-O 3.19Å |
| 424 | D | 98.3 | Very high | 98.2 | Very high | 38 Ų | 38 | 37 Ų | 37 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.4 | -177.8 | -64.6 | -20.4 | 0 | 0 | 0 | 113.4 | Y384 T420 E422 I426 | Y384-D424 HydrophobicContact CE2-CB 4.41Å; Y384-D424 WeakPolarHBondContact CE2-OD2 3.38Å; T420-D424 WeakPolarHBondContact O-CB 3.18Å; T420-D424 PolarHBondContact O-N 3.12Å; E422-D424 PolarHBondContact O-N 3.36Å; D424-I426 VanDerWaalsContact C-N 3.28Å; D424-I426 PolarHBondContact O-N 3.37Å |
| 425 | G | 97.9 | Very high | 98.1 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 4.9 | 172 | 0 | 0 | 0 | 0 | 0 | 115.3 | I421 E422 R423 K428 I429 | I421-G425 PolarHBondContact O-N 3.15Å; E422-G425 PolarHBondContact O-N 2.98Å; R423-G425 VanDerWaalsContact C-N 3.26Å; R423-G425 PolarHBondContact O-N 3.21Å; G425-K428 PolarHBondContact O-N 2.69Å; G425-I429 PolarHBondContact O-N 2.82Å |
| 426 | I | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.7 | -73 | 167.3 | 0 | 0 | 0 | 110.7 | Y384 M387 A388 A391 I421 D424 K428 I429 F430 | Y384-I426 HydrophobicContact CE2-CD1 3.93Å; M387-I426 HydrophobicContact CB-CG2 4.18Å; A388-I426 HydrophobicContact CB-CD1 4.12Å; A391-I426 HydrophobicContact CB-CB 4.4Å; A391-I426 HydrophobicContact CB-CG1 4.21Å; A391-I426 HydrophobicContact CB-CG2 3.79Å; I421-I426 HydrophobicContact CB-CB 3.96Å; I421-I426 HydrophobicContact CB-CD1 4.42Å; I421-I426 HydrophobicContact CB-CG2 4.04Å; I421-I426 HydrophobicContact CG2-CD1 4.24Å; I421-I426 HydrophobicContact CG2-CG2 4.47Å; I421-I426 WeakPolarHBondContact O-CB 3.39Å; I421-I426 PolarHBondContact O-N 2.94Å; D424-I426 VanDerWaalsContact C-N 3.28Å; D424-I426 PolarHBondContact O-N 3.37Å; I426-K428 VanDerWaalsContact C-N 3.27Å; I426-K428 PolarHBondContact O-N 3.25Å; I426-I429 WeakPolarHBondContact O-CB 3.39Å; I426-I429 PolarHBondContact O-N 2.98Å; I426-F430 HydrophobicContact CG2-CD2 3.93Å; I426-F430 HydrophobicContact CG2-CE2 3.43Å; I426-F430 VanDerWaalsContact CG2-CE2 3.43Å; I426-F430 HydrophobicContact CG2-CZ 4.18Å; I426-F430 PolarHBondContact O-N 2.79Å |
| 427 | T | 98.1 | Very high | 98.1 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.4 | -44.4 | 177 | -58.7 | 0 | 0 | 0 | 0 | 112 | I421 E422 I429 F430 Q431 V437 | I421-T427 WeakPolarHBondContact CG1-OG1 3.39Å; I421-T427 PolarHBondContact O-N 3.17Å; E422-T427 WeakPolarHBondContact CA-OG1 3.43Å; E422-T427 PolarHBondContact N-OG1 3Å; T427-I429 VanDerWaalsContact C-N 3.29Å; T427-I429 PolarHBondContact O-N 3.48Å; T427-F430 PolarHBondContact O-N 2.88Å; T427-Q431 WeakPolarHBondContact O-CG 3.47Å; T427-Q431 PolarHBondContact O-N 3.41Å; T427-V437 HydrophobicContact CG2-CG2 4.03Å |
| 428 | K | 98.3 | Very high | 98 | Very high | 147 Ų | 147 | 39.6 Ų | 39.6 | 64% | 0.639 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.4 | -35.1 | 180 | -173.3 | 176.6 | -179.1 | 179.4 | 0 | 112 | G425 I426 Q431 S432 | G425-K428 PolarHBondContact O-N 2.69Å; I426-K428 VanDerWaalsContact C-N 3.27Å; I426-K428 PolarHBondContact O-N 3.25Å; K428-Q431 PolarHBondContact O-N 3.16Å; K428-S432 WeakPolarHBondContact O-CB 3.44Å; K428-S432 PolarHBondContact O-N 2.94Å; K428-S432 PolarHBondContact O-OG 3.28Å |
| 429 | I | 98.5 | Very high | 98 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 9% | 0.087 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 177.4 | -67.3 | 162.6 | 0 | 0 | 0 | 110.2 | A391 A394 R395 G425 I426 T427 Q431 S432 I433 | A391-I429 HydrophobicContact CB-CG2 4.46Å; A394-I429 HydrophobicContact CB-CG2 3.65Å; R395-I429 HydrophobicContact CB-CG2 4.36Å; G425-I429 PolarHBondContact O-N 2.82Å; I426-I429 WeakPolarHBondContact O-CB 3.39Å; I426-I429 PolarHBondContact O-N 2.98Å; T427-I429 VanDerWaalsContact C-N 3.29Å; T427-I429 PolarHBondContact O-N 3.48Å; I429-Q431 PolarHBondContact O-N 2.86Å; I429-S432 PolarHBondContact O-N 3.01Å; I429-I433 PolarHBondContact O-N 2.81Å |
| 430 | F | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.3 | -67.4 | -47.8 | 0 | 0 | 0 | 112.2 | I376 M387 A390 A391 A394 F408 I410 I426 T427 S432 I433 G434 G435 | I376-F430 HydrophobicContact CD1-CE1 4.01Å; I376-F430 HydrophobicContact CD1-CE2 4.42Å; I376-F430 HydrophobicContact CD1-CZ 3.81Å; M387-F430 HydrophobicContact CB-CE2 4.47Å; M387-F430 WeakPolarHBondContact O-CZ 3.28Å; M387-F430 HydrophobicContact SD-CE2 4Å; M387-F430 HydrophobicContact SD-CZ 4.45Å; A390-F430 HydrophobicContact CB-CE1 3.91Å; A390-F430 HydrophobicContact CB-CZ 3.79Å; A391-F430 HydrophobicContact CB-CE1 4.18Å; A391-F430 HydrophobicContact CB-CE2 4.41Å; A391-F430 HydrophobicContact CB-CZ 3.91Å; A394-F430 HydrophobicContact CB-CD1 4.38Å; F408-F430 AromaticContact CE1-CD1 3.81Å; F408-F430 HydrophobicContact CE1-CD1 3.81Å; F408-F430 HydrophobicContact CE1-CE1 4.19Å; F408-F430 HydrophobicContact CZ-CE1 4.5Å; I410-F430 HydrophobicContact CD1-CB 3.89Å; I410-F430 HydrophobicContact CD1-CG 4.22Å; I410-F430 HydrophobicContact CG1-CB 4.19Å; I410-F430 HydrophobicContact CG1-CD1 4.34Å; I410-F430 HydrophobicContact CG1-CD2 4.15Å; I410-F430 HydrophobicContact CG1-CG 3.99Å; I410-F430 HydrophobicContact CG2-CD2 4.18Å; I410-F430 HydrophobicContact CG2-CE2 4.24Å; I426-F430 HydrophobicContact CG2-CD2 3.93Å; I426-F430 HydrophobicContact CG2-CE2 3.43Å; I426-F430 VanDerWaalsContact CG2-CE2 3.43Å; I426-F430 HydrophobicContact CG2-CZ 4.18Å; I426-F430 PolarHBondContact O-N 2.79Å; T427-F430 PolarHBondContact O-N 2.88Å; F430-S432 VanDerWaalsContact C-N 3.31Å; F430-S432 PolarHBondContact O-N 3.45Å; F430-I433 WeakPolarHBondContact O-CG1 3.49Å; F430-I433 PolarHBondContact O-N 3.18Å; F430-G434 PolarHBondContact O-N 3.13Å; F430-G435 WeakPolarHBondContact O-CA 3.44Å; F430-G435 PolarHBondContact O-N 2.81Å |
| 431 | Q | 97.7 | Very high | 97.9 | Very high | 112 Ų | 112 | 37.6 Ų | 37.6 | 52% | 0.523 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.3 | -70.8 | 172.2 | -27.9 | 0 | 0 | 112.3 | T427 K428 I429 I433 G434 | T427-Q431 WeakPolarHBondContact O-CG 3.47Å; T427-Q431 PolarHBondContact O-N 3.41Å; K428-Q431 PolarHBondContact O-N 3.16Å; I429-Q431 PolarHBondContact O-N 2.86Å; Q431-I433 VanDerWaalsContact C-N 3.25Å; Q431-I433 PolarHBondContact O-N 2.76Å; Q431-G434 PolarHBondContact O-N 2.74Å |
| 432 | S | 97.8 | Very high | 97.8 | Very high | 66 Ų | 66 | 38 Ų | 38 | 46% | 0.462 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.2 | -28.1 | -179 | -60 | 0 | 0 | 0 | 0 | 113 | K428 I429 F430 G434 | K428-S432 WeakPolarHBondContact O-CB 3.44Å; K428-S432 PolarHBondContact O-N 2.94Å; K428-S432 PolarHBondContact O-OG 3.28Å; I429-S432 PolarHBondContact O-N 3.01Å; F430-S432 VanDerWaalsContact C-N 3.31Å; F430-S432 PolarHBondContact O-N 3.45Å; S432-G434 VanDerWaalsContact C-N 3.33Å |
| 433 | I | 97.2 | Very high | 97.8 | Very high | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.082 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.2 | 174.4 | 66.2 | 158.8 | 0 | 0 | 0 | 112.9 | A394 L398 I404 F408 I429 F430 Q431 F495 | A394-I433 HydrophobicContact CB-CD1 3.63Å; A394-I433 HydrophobicContact CB-CG1 4.32Å; A394-I433 HydrophobicContact CB-CG2 4.19Å; L398-I433 HydrophobicContact CB-CG2 4.26Å; L398-I433 HydrophobicContact CD1-CG2 4.43Å; I404-I433 WeakPolarHBondContact CD1-O 3.41Å; I404-I433 VanDerWaalsContact CG1-O 3.26Å; I404-I433 WeakPolarHBondContact CG1-O 3.5Å; I404-I433 HydrophobicContact CG2-CB 4.4Å; I404-I433 HydrophobicContact CG2-CD1 4.02Å; F408-I433 HydrophobicContact CD1-CD1 3.94Å; F408-I433 HydrophobicContact CE1-CD1 4Å; I429-I433 PolarHBondContact O-N 2.81Å; F430-I433 WeakPolarHBondContact O-CG1 3.49Å; F430-I433 PolarHBondContact O-N 3.18Å; Q431-I433 VanDerWaalsContact C-N 3.25Å; Q431-I433 PolarHBondContact O-N 2.76Å; I433-F495 HydrophobicContact CB-CZ 4.07Å; I433-F495 HydrophobicContact CD1-CE2 3.95Å; I433-F495 HydrophobicContact CD1-CZ 3.7Å; I433-F495 HydrophobicContact CG2-CZ 4.01Å |
| 434 | G | 97 | Very high | 97.7 | Very high | 47 Ų | 47 | 29 Ų | 29 | 49% | 0.485 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | 11.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | F430 Q431 S432 | F430-G434 PolarHBondContact O-N 3.13Å; Q431-G434 PolarHBondContact O-N 2.74Å; S432-G434 VanDerWaalsContact C-N 3.33Å |
| 435 | G | 97.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 140.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F408 F430 | F408-G435 CarbonylContact O-C 3.57Å; F408-G435 WeakPolarHBondContact O-CA 3.5Å; F430-G435 WeakPolarHBondContact O-CA 3.44Å; F430-G435 PolarHBondContact O-N 2.81Å |
| 436 | V | 97.2 | Very high | 97.5 | Very high | 59 Ų | 59 | 26.7 Ų | 26.7 | 36% | 0.358 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.7 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | F408 F409 I410 L438 | F408-V436 PolarHBondContact O-N 2.82Å; F409-V436 WeakPolarHBondContact CA-O 3.45Å; F409-V436 HydrophobicContact CD1-CB 3.89Å; F409-V436 HydrophobicContact CD1-CG1 4.33Å; F409-V436 HydrophobicContact CE1-CB 4.14Å; F409-V436 HydrophobicContact CE1-CG1 4.49Å; F409-V436 HydrophobicContact CE1-CG2 4.43Å; I410-V436 PolarHBondContact N-O 2.71Å; V436-L438 HydrophobicContact CG1-CD2 4.28Å |
| 437 | V | 97.7 | Very high | 97.3 | Very high | 21 Ų | 21 | 27 Ų | 27 | 13% | 0.127 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | A129 I410 P412 T427 | A129-V437 PolarHBondContact N-O 2.83Å; A129-V437 VanDerWaalsContact N-O 3.11Å; I410-V437 HydrophobicContact CB-CG2 4.43Å; I410-V437 CarbonylContact O-C 3.35Å; I410-V437 WeakPolarHBondContact O-CA 3.11Å; P412-V437 HydrophobicContact CG-CG1 4.09Å; T427-V437 HydrophobicContact CG2-CG2 4.03Å |
| 438 | L | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -88.9 | 167.5 | 178 | -59.5 | -177.9 | 0 | 0 | 0 | 110.7 | A125 F409 I410 V436 P444 | A125-L438 HydrophobicContact CB-CD1 3.9Å; A125-L438 HydrophobicContact CB-CD2 4.02Å; F409-L438 HydrophobicContact CB-CD1 3.95Å; F409-L438 HydrophobicContact CB-CG 4.33Å; F409-L438 HydrophobicContact CD1-CD1 4.29Å; F409-L438 HydrophobicContact CD1-CD2 4.01Å; F409-L438 HydrophobicContact CD1-CG 4.3Å; F409-L438 HydrophobicContact CG-CD1 4.42Å; I410-L438 PolarHBondContact O-N 2.67Å; V436-L438 HydrophobicContact CG1-CD2 4.28Å; L438-P444 HydrophobicContact CD1-CG 3.87Å |
| 439 | A | 97.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 21.7 Ų | 21.7 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 156.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I123 A129 A441 | I123-A439 HydrophobicContact CG2-CB 3.79Å; A129-A439 HydrophobicContact CB-CB 4.47Å; A439-A441 HydrophobicContact CB-CB 4.4Å; A439-A441 PolarHBondContact O-N 3.39Å |
| 440 | N | 98 | Very high | 96.9 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -73 | 68.9 | 177.5 | -41.7 | -38.3 | 0 | 0 | 0 | 110.4 | G162 G164 P412 E415 R418 | G162-N440 PolarHBondContact O-ND2 3.14Å; G164-N440 CarbonylContact C-O 3.58Å; G164-N440 VanDerWaalsContact CA-O 3.26Å; G164-N440 WeakPolarHBondContact CA-O 3.35Å; G164-N440 PolarHBondContact N-O 3.27Å; P412-N440 WeakPolarHBondContact CB-OD1 3.46Å; P412-N440 WeakPolarHBondContact O-CA 3.11Å; E415-N440 WeakPolarHBondContact CA-ND2 3.46Å; E415-N440 PolarHBondContact N-ND2 3.15Å; E415-N440 PolarHBondContact OE2-ND2 2.89Å; R418-N440 WeakPolarHBondContact CB-OD1 3.29Å |
| 441 | A | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -152.1 | 163 | -167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D120 I123 T411 A439 G443 | D120-A441 WeakPolarHBondContact O-CB 3.44Å; I123-A441 HydrophobicContact CB-CB 3.74Å; I123-A441 HydrophobicContact CD1-CB 3.71Å; I123-A441 HydrophobicContact CG1-CB 4.23Å; I123-A441 HydrophobicContact CG2-CB 4.24Å; T411-A441 WeakPolarHBondContact CG2-O 3.46Å; A439-A441 HydrophobicContact CB-CB 4.4Å; A439-A441 PolarHBondContact O-N 3.39Å; A441-G443 VanDerWaalsContact C-N 3.31Å; A441-G443 PolarHBondContact O-N 3.02Å |
| 442 | C | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | trans | -59.7 | -41.1 | -179.5 | -71.2 | 0 | 0 | 0 | 0 | 112.6 | D120 H121 C445 I446 | D120-C442 WeakPolarHBondContact O-CB 3.37Å; D120-C442 PolarHBondContact O-N 3.05Å; H121-C442 PolarHBondContact CE1-SG 3.05Å; C442-C445 WeakPolarHBondContact O-CB 3.4Å; C442-C445 PolarHBondContact O-N 2.76Å; C442-I446 HydrophobicContact CB-CB 4.44Å; C442-I446 HydrophobicContact CB-CG2 3.8Å | ||
| 443 | G | 96.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | 47.5 | -123.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A441 C445 I446 Q448 | A441-G443 VanDerWaalsContact C-N 3.31Å; A441-G443 PolarHBondContact O-N 3.02Å; G443-C445 PolarHBondContact O-N 3.03Å; G443-I446 WeakPolarHBondContact O-CG2 3.12Å; G443-I446 PolarHBondContact O-N 3.49Å; G443-Q448 CarbonylContact C-O 3.45Å; G443-Q448 VanDerWaalsContact C-O 3.28Å; G443-Q448 WeakPolarHBondContact CA-O 3.44Å; G443-Q448 WeakPolarHBondContact O-CA 3.42Å; G443-Q448 WeakPolarHBondContact O-CB 3.44Å; G443-Q448 PolarHBondContact O-N 3.5Å |
| 444 | P | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -59.1 | -17.3 | -178.5 | -21.7 | 32.5 | 0 | 0 | 0 | 115.5 | A125 L375 L438 I446 G447 W449 Y466 N474 | A125-P444 HydrophobicContact CB-CG 4.01Å; L375-P444 HydrophobicContact CD2-CB 3.54Å; L375-P444 HydrophobicContact CD2-CG 3.81Å; L438-P444 HydrophobicContact CD1-CG 3.87Å; P444-I446 VanDerWaalsContact C-N 3.29Å; P444-I446 PolarHBondContact O-N 3.07Å; P444-G447 PolarHBondContact O-N 3.36Å; P444-W449 HydrophobicContact CB-CB 3.95Å; P444-W449 HydrophobicContact CB-CD2 4.11Å; P444-W449 HydrophobicContact CB-CE3 4.02Å; P444-W449 HydrophobicContact CB-CG 4.11Å; P444-W449 HydrophobicContact CG-CB 3.96Å; P444-W449 HydrophobicContact CG-CD2 4.17Å; P444-W449 HydrophobicContact CG-CG 3.91Å; P444-Y466 HydrophobicContact CB-CE2 4.17Å; P444-N474 WeakPolarHBondContact O-CA 3.41Å; P444-N474 PolarHBondContact O-ND2 3.42Å |
| 445 | C | 97.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -66.8 | -29.2 | 178.8 | -169.1 | 0 | 0 | 0 | 0 | 113.3 | S378 C442 G443 Y466 R473 | S378-C445 PolarHBondContact OG-SG 2.82Å; S378-C445 VanDerWaalsContact OG-SG 3.38Å; C442-C445 WeakPolarHBondContact O-CB 3.4Å; C442-C445 PolarHBondContact O-N 2.76Å; G443-C445 PolarHBondContact O-N 3.03Å; C445-Y466 HydrophobicContact CB-CD2 4.03Å; C445-Y466 HydrophobicContact CB-CE2 4.08Å; C445-Y466 HydrophobicContact CB-CG 4.27Å; C445-R473 PolarHBondContact O-NE 3.48Å |
| 446 | I | 94.4 | Very high | 95.1 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -109.9 | 5.2 | -179.7 | -172.3 | 57.9 | 0 | 0 | 0 | 112.5 | C442 G443 P444 Q448 R473 A594 L598 | C442-I446 HydrophobicContact CB-CB 4.44Å; C442-I446 HydrophobicContact CB-CG2 3.8Å; G443-I446 WeakPolarHBondContact O-CG2 3.12Å; G443-I446 PolarHBondContact O-N 3.49Å; P444-I446 VanDerWaalsContact C-N 3.29Å; P444-I446 PolarHBondContact O-N 3.07Å; I446-Q448 HydrophobicContact CG2-CB 4.03Å; I446-Q448 HydrophobicContact CG2-CG 3.92Å; I446-R473 VanDerWaalsContact CD1-NH1 3.31Å; I446-A594 HydrophobicContact CD1-CB 3.73Å; I446-A594 HydrophobicContact CG1-CB 4.14Å; I446-L598 HydrophobicContact CG1-CD1 3.96Å; I446-L598 HydrophobicContact CG2-CD1 4.33Å |
| 447 | G | 94.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 15.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P444 W449 R473 N474 | P444-G447 PolarHBondContact O-N 3.36Å; G447-W449 PolarHBondContact O-N 2.93Å; G447-W449 VanDerWaalsContact O-N 3.13Å; G447-R473 WeakPolarHBondContact CA-O 3.48Å; G447-R473 PolarHBondContact N-O 2.94Å; G447-N474 WeakPolarHBondContact CA-O 3.49Å |
| 448 | Q | 96.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | trans | -86 | 64.1 | 170.9 | -80.2 | -70.3 | -31.1 | 0 | 0 | 109.5 | H121 A125 G443 I446 G595 L598 | H121-Q448 WeakPolarHBondContact O-CG 3.37Å; A125-Q448 PolarHBondContact N-O 3.1Å; G443-Q448 CarbonylContact C-O 3.45Å; G443-Q448 VanDerWaalsContact C-O 3.28Å; G443-Q448 WeakPolarHBondContact CA-O 3.44Å; G443-Q448 WeakPolarHBondContact O-CA 3.42Å; G443-Q448 WeakPolarHBondContact O-CB 3.44Å; G443-Q448 PolarHBondContact O-N 3.5Å; I446-Q448 HydrophobicContact CG2-CB 4.03Å; I446-Q448 HydrophobicContact CG2-CG 3.92Å; Q448-G595 PolarHBondContact NE2-O 2.99Å; Q448-L598 HydrophobicContact CG-CD1 3.74Å | ||
| 449 | W | 95.7 | Very high | 94.7 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -140.2 | 117.5 | -178.3 | -176.4 | 25.1 | 0 | 0 | 0 | 110.6 | A125 A373 L375 F409 P444 G447 R451 D475 | A125-W449 WeakPolarHBondContact O-CA 3.42Å; A373-W449 HydrophobicContact CB-CH2 4.07Å; L375-W449 HydrophobicContact CD2-CH2 4.37Å; L375-W449 HydrophobicContact CD2-CZ3 4.24Å; F409-W449 HydrophobicContact CD2-CZ2 4.37Å; F409-W449 HydrophobicContact CE2-CH2 4.49Å; F409-W449 AromaticContact CE2-CZ2 3.76Å; F409-W449 HydrophobicContact CE2-CZ2 3.76Å; F409-W449 HydrophobicContact CZ-CZ2 4.19Å; P444-W449 HydrophobicContact CB-CB 3.95Å; P444-W449 HydrophobicContact CB-CD2 4.11Å; P444-W449 HydrophobicContact CB-CE3 4.02Å; P444-W449 HydrophobicContact CB-CG 4.11Å; P444-W449 HydrophobicContact CG-CB 3.96Å; P444-W449 HydrophobicContact CG-CD2 4.17Å; P444-W449 HydrophobicContact CG-CG 3.91Å; G447-W449 PolarHBondContact O-N 2.93Å; G447-W449 VanDerWaalsContact O-N 3.13Å; W449-R451 HydrophobicContact CD2-CB 3.85Å; W449-R451 HydrophobicContact CD2-CG 4.21Å; W449-R451 HydrophobicContact CE3-CB 4.15Å; W449-R451 HydrophobicContact CE3-CG 4.28Å; W449-R451 HydrophobicContact CG-CB 4.26Å; W449-R451 VanDerWaalsContact CH2-CD 3.5Å; W449-R451 HydrophobicContact CH2-CG 3.82Å; W449-R451 HydrophobicContact CZ2-CB 4.22Å; W449-R451 HydrophobicContact CZ2-CG 3.72Å; W449-R451 HydrophobicContact CZ3-CB 4.47Å; W449-R451 VanDerWaalsContact CZ3-CD 3.5Å; W449-R451 HydrophobicContact CZ3-CG 4.1Å; W449-R451 PolarHBondContact O-N 2.85Å; W449-D475 HydrophobicContact CE3-CB 4.1Å; W449-D475 HydrophobicContact CZ3-CB 4.42Å |
| 450 | S | 94.7 | Very high | 94.7 | Very high | 24 Ų | 24 | 49 Ų | 49 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | trans | -82 | 68.3 | 173.3 | -154.4 | 0 | 0 | 0 | 0 | 110.1 | A125 K452 | A125-S450 PolarHBondContact O-N 2.73Å; S450-K452 PolarHBondContact OG-NZ 3.49Å | ||
| 451 | R | 94.2 | Very high | 94.7 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -66 | 138.2 | -177.1 | -168.9 | 176.2 | -173.2 | 167.9 | 7.8 | 112 | S372 W449 D453 T454 N460 D475 | S372-R451 PolarHBondContact OG-NH2 2.72Å; W449-R451 HydrophobicContact CD2-CB 3.85Å; W449-R451 HydrophobicContact CD2-CG 4.21Å; W449-R451 HydrophobicContact CE3-CB 4.15Å; W449-R451 HydrophobicContact CE3-CG 4.28Å; W449-R451 HydrophobicContact CG-CB 4.26Å; W449-R451 VanDerWaalsContact CH2-CD 3.5Å; W449-R451 HydrophobicContact CH2-CG 3.82Å; W449-R451 HydrophobicContact CZ2-CB 4.22Å; W449-R451 HydrophobicContact CZ2-CG 3.72Å; W449-R451 HydrophobicContact CZ3-CB 4.47Å; W449-R451 VanDerWaalsContact CZ3-CD 3.5Å; W449-R451 HydrophobicContact CZ3-CG 4.1Å; W449-R451 PolarHBondContact O-N 2.85Å; R451-D453 WeakPolarHBondContact CD-OD1 3.43Å; R451-D453 WeakPolarHBondContact CG-OD1 3.46Å; R451-D453 IonicContact CZ-OD1 3.7Å; R451-D453 IonicContact CZ-OD2 2.77Å; R451-D453 IonicContact NE-OD1 3.51Å; R451-D453 PolarHBondContact NE-OD1 3.01Å; R451-D453 IonicContact NE-OD2 3.16Å; R451-D453 PolarHBondContact NE-OD2 3.2Å; R451-D453 IonicContact NH2-OD1 2.79Å; R451-D453 IonicContact NH2-OD2 3.35Å; R451-D453 PolarHBondContact NH2-OD2 3.26Å; R451-T454 HydrophobicContact CG-CG2 4.25Å; R451-N460 PolarHBondContact NH1-ND2 3.48Å; R451-N460 PolarHBondContact NH2-ND2 2.88Å; R451-D475 HydrophobicContact CB-CB 4.21Å; R451-D475 WeakPolarHBondContact CD-OD2 3.44Å; R451-D475 IonicContact CZ-OD2 2.73Å; R451-D475 IonicContact NE-OD2 3.71Å; R451-D475 IonicContact NH1-OD2 3.89Å; R451-D475 PolarHBondContact NH1-OD2 3.25Å | ||
| 452 | K | 91.2 | Very high | 94.8 | Very high | 160 Ų | 160 | 48.5 Ų | 48.5 | 70% | 0.696 | 24% | 0.244 | S | C | * | . | trans | -129.5 | -16.1 | -174.7 | -58.6 | -61.3 | 171.7 | -161.8 | 0 | 115.8 | S450 T454 | S450-K452 PolarHBondContact OG-NZ 3.49Å; K452-T454 VanDerWaalsContact C-N 3.26Å; K452-T454 PolarHBondContact O-N 3.01Å | ||
| 453 | D | 91.5 | Very high | 94.9 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -74 | -15.4 | -177 | 60.7 | -53.5 | 0 | 0 | 0 | 113.7 | R451 | R451-D453 WeakPolarHBondContact CD-OD1 3.43Å; R451-D453 WeakPolarHBondContact CG-OD1 3.46Å; R451-D453 IonicContact CZ-OD1 3.7Å; R451-D453 IonicContact CZ-OD2 2.77Å; R451-D453 IonicContact NE-OD1 3.51Å; R451-D453 PolarHBondContact NE-OD1 3.01Å; R451-D453 IonicContact NE-OD2 3.16Å; R451-D453 PolarHBondContact NE-OD2 3.2Å; R451-D453 IonicContact NH2-OD1 2.79Å; R451-D453 IonicContact NH2-OD2 3.35Å; R451-D453 PolarHBondContact NH2-OD2 3.26Å |
| 454 | T | 90.6 | Very high | 95 | Very high | 26 Ų | 26 | 48 Ų | 48 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -136.4 | 148.8 | -177.5 | -171.5 | 0 | 0 | 0 | 0 | 111 | R451 K452 D458 | R451-T454 HydrophobicContact CG-CG2 4.25Å; K452-T454 VanDerWaalsContact C-N 3.26Å; K452-T454 PolarHBondContact O-N 3.01Å; T454-D458 VanDerWaalsContact OG1-CB 3.25Å; T454-D458 WeakPolarHBondContact OG1-CB 3.26Å; T454-D458 PolarHBondContact OG1-OD2 2.87Å |
| 455 | K | 90.5 | Very high | 95.1 | Very high | 161 Ų | 161 | 48 Ų | 48 | 70% | 0.7 | 24% | 0.24 | S | C | * | . | trans | -89.7 | 150.7 | 173.6 | -59.7 | 175.2 | -175.2 | 174 | 0 | 109.6 | G457 D458 | K455-G457 PolarHBondContact O-N 2.99Å; K455-D458 WeakPolarHBondContact CB-OD2 3.46Å; K455-D458 PolarHBondContact N-OD2 3.35Å; K455-D458 VanDerWaalsContact O-CB 3.31Å; K455-D458 WeakPolarHBondContact O-CB 3.26Å; K455-D458 PolarHBondContact O-N 2.93Å | ||
| 456 | K | 88.7 | Confident | 95.1 | Very high | 174 Ų | 174 | 47.5 Ų | 47.5 | 76% | 0.757 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 125.3 | 175.1 | -170.3 | 171.7 | -174 | 174 | 0 | 110 | ||
| 457 | G | 92.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 52% | 0.515 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -15.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K455 K459 N477 A479 | K455-G457 PolarHBondContact O-N 2.99Å; G457-K459 PolarHBondContact O-N 3.29Å; G457-N477 WeakPolarHBondContact CA-OD1 3.29Å; G457-N477 PolarHBondContact N-OD1 2.86Å; G457-A479 WeakPolarHBondContact O-CB 3.35Å |
| 458 | D | 95.1 | Very high | 95.2 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | trans | -64.8 | 135.6 | 174.5 | -69.9 | -13.1 | 0 | 0 | 0 | 110 | T454 K455 N477 A479 | T454-D458 VanDerWaalsContact OG1-CB 3.25Å; T454-D458 WeakPolarHBondContact OG1-CB 3.26Å; T454-D458 PolarHBondContact OG1-OD2 2.87Å; K455-D458 WeakPolarHBondContact CB-OD2 3.46Å; K455-D458 PolarHBondContact N-OD2 3.35Å; K455-D458 VanDerWaalsContact O-CB 3.31Å; K455-D458 WeakPolarHBondContact O-CB 3.26Å; K455-D458 PolarHBondContact O-N 2.93Å; D458-N477 PolarHBondContact O-ND2 2.89Å; D458-A479 VanDerWaalsContact O-CB 3.23Å; D458-A479 WeakPolarHBondContact O-CB 3.46Å | ||
| 459 | K | 97 | Very high | 95.2 | Very high | 164 Ų | 164 | 45.5 Ų | 45.5 | 71% | 0.713 | 22% | 0.223 | S | C | * | . | trans | -78.3 | 120.5 | 169.6 | -72.8 | -175.1 | 178.5 | -176.9 | 0 | 109.4 | P368 G457 A479 | P368-K459 HydrophobicContact CG-CB 4.13Å; G457-K459 PolarHBondContact O-N 3.29Å; K459-A479 HydrophobicContact CG-CB 4.14Å | ||
| 460 | N | 98.2 | Very high | 95 | Very high | 14 Ų | 14 | 45 Ų | 45 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 166.4 | 176.6 | 70.4 | -45.7 | 0 | 0 | 0 | 111 | S372 R451 T480 H481 | S372-N460 PolarHBondContact OG-ND2 3.18Å; R451-N460 PolarHBondContact NH1-ND2 3.48Å; R451-N460 PolarHBondContact NH2-ND2 2.88Å; N460-T480 WeakPolarHBondContact OD1-CA 3.08Å; N460-T480 WeakPolarHBondContact OD1-CB 3.33Å; N460-T480 PolarHBondContact OD1-OG1 2.81Å; N460-H481 PolarHBondContact O-N 2.87Å |
| 461 | T | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137.7 | 175.9 | -75.6 | 0 | 0 | 0 | 0 | 111.1 | P368 I371 S372 H481 F483 L499 | P368-T461 VanDerWaalsContact O-CB 3.31Å; P368-T461 WeakPolarHBondContact O-CB 3.5Å; P368-T461 PolarHBondContact O-OG1 3.27Å; I371-T461 HydrophobicContact CG1-CG2 4.16Å; S372-T461 PolarHBondContact N-O 2.94Å; S372-T461 PolarHBondContact OG-O 2.98Å; T461-H481 WeakPolarHBondContact CA-O 3.32Å; T461-F483 HydrophobicContact CG2-CD2 3.92Å; T461-F483 HydrophobicContact CG2-CE2 3.97Å; T461-L499 HydrophobicContact CG2-CD1 3.87Å; T461-L499 HydrophobicContact CG2-CD2 3.91Å; T461-L499 HydrophobicContact CG2-CG 3.91Å |
| 462 | I | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 149.7 | 165.4 | 62.1 | 177.5 | 0 | 0 | 0 | 110.1 | A373 L375 N474 T480 H481 A482 F483 | A373-I462 HydrophobicContact CB-CG2 4.05Å; A373-I462 WeakPolarHBondContact O-CA 3.42Å; L375-I462 HydrophobicContact CD1-CB 4.29Å; I462-N474 HydrophobicContact CD1-CB 3.84Å; I462-T480 HydrophobicContact CD1-CG2 3.8Å; I462-T480 HydrophobicContact CG1-CG2 3.79Å; I462-T480 HydrophobicContact CG2-CG2 4.3Å; I462-H481 PolarHBondContact N-O 2.99Å; I462-A482 HydrophobicContact CD1-CB 4.04Å; I462-A482 HydrophobicContact CG1-CB 3.8Å; I462-F483 PolarHBondContact O-N 3.29Å |
| 463 | V | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.9 | 173.1 | -64.2 | 0 | 0 | 0 | 0 | 108.5 | I371 A373 G374 L375 F483 V490 L493 L499 | I371-V463 HydrophobicContact CD1-CG1 3.91Å; I371-V463 HydrophobicContact CD1-CG2 4.21Å; I371-V463 HydrophobicContact CG1-CG1 4.24Å; I371-V463 HydrophobicContact CG2-CG1 4.44Å; I371-V463 HydrophobicContact CG2-CG2 3.74Å; A373-V463 PolarHBondContact O-N 3.45Å; G374-V463 CarbonylContact C-O 3.55Å; G374-V463 VanDerWaalsContact CA-O 3.25Å; G374-V463 WeakPolarHBondContact CA-O 3.43Å; L375-V463 PolarHBondContact N-O 2.83Å; V463-F483 CarbonylContact C-O 3.5Å; V463-F483 WeakPolarHBondContact CA-O 3.08Å; V463-F483 HydrophobicContact CG1-CB 4.19Å; V463-V490 HydrophobicContact CG2-CG1 4.13Å; V463-L493 HydrophobicContact CG1-CD1 4.22Å; V463-L493 HydrophobicContact CG2-CB 4.41Å; V463-L499 HydrophobicContact CG1-CD2 3.9Å |
| 464 | S | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154.9 | -177.3 | 69.2 | 0 | 0 | 0 | 0 | 112.6 | L375 Y466 F483 V484 T485 V490 | L375-S464 CarbonylContact O-C 3.45Å; L375-S464 WeakPolarHBondContact O-CA 3.4Å; S464-Y466 PolarHBondContact O-N 3.1Å; S464-F483 PolarHBondContact N-O 3.37Å; S464-F483 PolarHBondContact OG-O 3.48Å; S464-V484 CarbonylContact O-C 3.48Å; S464-V484 VanDerWaalsContact O-CA 3.27Å; S464-V484 WeakPolarHBondContact O-CA 3.33Å; S464-T485 PolarHBondContact O-N 3.34Å; S464-V490 VanDerWaalsContact C-CG2 3.45Å |
| 465 | S | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -89.6 | 18.1 | 170.6 | 77.4 | 0 | 0 | 0 | 0 | 113 | K238 L375 I376 G377 N381 T485 | K238-S465 PolarHBondContact NZ-O 2.95Å; L375-S465 PolarHBondContact O-N 2.88Å; I376-S465 VanDerWaalsContact CA-OG 3.27Å; I376-S465 WeakPolarHBondContact CA-OG 3.22Å; G377-S465 PolarHBondContact N-OG 3.24Å; G377-S465 PolarHBondContact O-OG 2.93Å; N381-S465 PolarHBondContact OD1-O 3.03Å; N381-S465 VanDerWaalsContact OD1-O 3.09Å; S465-T485 VanDerWaalsContact CA-O 3.25Å; S465-T485 WeakPolarHBondContact CA-O 3.27Å |
| 466 | Y | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -79.5 | -162.7 | 179.8 | -53.2 | -20.8 | 0 | 0 | 0 | 110.6 | K238 L375 S378 P444 C445 S464 | K238-Y466 WeakPolarHBondContact CE-O 3.41Å; K238-Y466 PolarHBondContact NZ-O 3.49Å; L375-Y466 HydrophobicContact CB-CE1 4.35Å; L375-Y466 HydrophobicContact CB-CE2 4.13Å; L375-Y466 WeakPolarHBondContact CB-OH 3.1Å; L375-Y466 HydrophobicContact CD2-CE2 4.21Å; S378-Y466 VanDerWaalsContact CB-CE1 3.48Å; P444-Y466 HydrophobicContact CB-CE2 4.17Å; C445-Y466 HydrophobicContact CB-CD2 4.03Å; C445-Y466 HydrophobicContact CB-CE2 4.08Å; C445-Y466 HydrophobicContact CB-CG 4.27Å; S464-Y466 PolarHBondContact O-N 3.1Å |
| 467 | N | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -115.8 | -37 | -177.6 | 45.8 | 27.1 | 0 | 0 | 0 | 112.5 | H187 N278 M279 T380 | H187-N467 PolarHBondContact CD2-ND2 3.47Å; H187-N467 PolarHBondContact CE1-ND2 2.95Å; H187-N467 VanDerWaalsContact CE1-ND2 3.29Å; H187-N467 VanDerWaalsContact NE2-CG 3.28Å; H187-N467 PolarHBondContact NE2-ND2 3.4Å; N278-N467 PolarHBondContact OD1-ND2 3.14Å; M279-N467 HydrophobicContact CB-CB 4.21Å; M279-N467 WeakPolarHBondContact CE-O 3.02Å; M279-N467 HydrophobicContact CG-CB 3.9Å; M279-N467 HydrophobicContact SD-CB 4.3Å; T380-N467 HydrophobicContact CG2-CB 4.38Å; T380-N467 PolarHBondContact OG1-ND2 2.72Å |
| 468 | R | 93.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | trans | -116.1 | 132.9 | -171.2 | -171.7 | 173 | -66.8 | 174.5 | 9.2 | 112.4 | E282 F470 G662 | E282-R468 IonicContact OE1-CZ 2.74Å; E282-R468 IonicContact OE1-NE 3.5Å; E282-R468 PolarHBondContact OE1-NE 2.95Å; E282-R468 VanDerWaalsContact OE1-NE 3.15Å; E282-R468 IonicContact OE1-NH2 3.88Å; E282-R468 PolarHBondContact OE1-NH2 3.08Å; R468-F470 VanDerWaalsContact CD-CD2 3.41Å; R468-F470 VanDerWaalsContact CD-CE2 3.41Å; R468-F470 HydrophobicContact CG-CB 4.49Å; R468-F470 HydrophobicContact CG-CD1 4.34Å; R468-F470 HydrophobicContact CG-CD2 3.61Å; R468-F470 HydrophobicContact CG-CE1 4.47Å; R468-F470 HydrophobicContact CG-CE2 3.77Å; R468-F470 HydrophobicContact CG-CG 3.89Å; R468-F470 HydrophobicContact CG-CZ 4.18Å; R468-G662 VanDerWaalsContact NH1-C 3.26Å | ||
| 469 | N | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | trans | -132.5 | 34.7 | -178 | 60.4 | -13.9 | 0 | 0 | 0 | 112.4 | N344 G345 F347 T348 P349 A482 V484 | N344-N469 PolarHBondContact O-ND2 3.43Å; G345-N469 WeakPolarHBondContact CA-ND2 3.46Å; F347-N469 CarbonylContact C-O 3.59Å; F347-N469 WeakPolarHBondContact CA-O 3.38Å; T348-N469 WeakPolarHBondContact CA-OD1 3.31Å; T348-N469 PolarHBondContact N-OD1 3.38Å; T348-N469 PolarHBondContact O-ND2 2.93Å; T348-N469 PolarHBondContact O-OD1 2.67Å; P349-N469 WeakPolarHBondContact CA-OD1 3.29Å; N469-A482 HydrophobicContact CB-CB 3.73Å; N469-A482 WeakPolarHBondContact CB-O 3.44Å; N469-A482 PolarHBondContact ND2-O 2.82Å; N469-V484 HydrophobicContact CB-CG1 4.09Å | ||
| 470 | F | 92 | Very high | 95.3 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 4% | 0.044 | 10% | 0.099 | C | C | . | . | trans | -62.2 | 154.8 | 173 | -60.1 | -30 | 0 | 0 | 0 | 111.3 | P349 R468 G472 R473 T587 E661 | P349-F470 HydrophobicContact CG-CE1 4.28Å; R468-F470 VanDerWaalsContact CD-CD2 3.41Å; R468-F470 VanDerWaalsContact CD-CE2 3.41Å; R468-F470 HydrophobicContact CG-CB 4.49Å; R468-F470 HydrophobicContact CG-CD1 4.34Å; R468-F470 HydrophobicContact CG-CD2 3.61Å; R468-F470 HydrophobicContact CG-CE1 4.47Å; R468-F470 HydrophobicContact CG-CE2 3.77Å; R468-F470 HydrophobicContact CG-CG 3.89Å; R468-F470 HydrophobicContact CG-CZ 4.18Å; F470-G472 PolarHBondContact O-N 3.43Å; F470-R473 WeakPolarHBondContact O-CB 3.45Å; F470-R473 PolarHBondContact O-N 3.07Å; F470-T587 HydrophobicContact CD2-CG2 3.89Å; F470-T587 HydrophobicContact CE2-CG2 3.91Å; F470-T587 HydrophobicContact CG-CG2 4.38Å; F470-T587 HydrophobicContact CZ-CG2 4.41Å; F470-E661 WeakPolarHBondContact CE1-OE1 3.36Å; F470-E661 HydrophobicContact CZ-CG 4.35Å; F470-E661 WeakPolarHBondContact CZ-OE1 3.36Å | ||
| 471 | T | 90.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 15.2 Ų | 15.2 | 42% | 0.417 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | 122 | -179.9 | -52.8 | 0 | 0 | 0 | 0 | 112.6 | F347 R473 P478 | F347-T471 WeakPolarHBondContact CD1-OG1 3.43Å; T471-R473 PolarHBondContact O-N 2.85Å; T471-P478 HydrophobicContact CG2-CB 3.81Å |
| 472 | G | 91.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 15.3 Ų | 15.3 | 18% | 0.175 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 11.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F470 N474 A476 N477 | F470-G472 PolarHBondContact O-N 3.43Å; G472-N474 PolarHBondContact O-N 3.45Å; G472-A476 WeakPolarHBondContact O-CA 3.48Å; G472-A476 PolarHBondContact O-N 3.12Å; G472-N477 WeakPolarHBondContact CA-O 3.44Å |
| 473 | R | 92.1 | Very high | 95.3 | Very high | 22 Ų | 22 | 15.3 Ų | 15.3 | 8% | 0.083 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -44.7 | -176.5 | 173.9 | 56.2 | 174.9 | -148.1 | -15.1 | 113.2 | C445 I446 G447 F470 T471 D589 R665 | C445-R473 PolarHBondContact O-NE 3.48Å; I446-R473 VanDerWaalsContact CD1-NH1 3.31Å; G447-R473 WeakPolarHBondContact CA-O 3.48Å; G447-R473 PolarHBondContact N-O 2.94Å; F470-R473 WeakPolarHBondContact O-CB 3.45Å; F470-R473 PolarHBondContact O-N 3.07Å; T471-R473 PolarHBondContact O-N 2.85Å; R473-D589 IonicContact CZ-OD2 3.93Å; R473-D589 IonicContact NH1-OD1 2.7Å; R473-D589 PolarHBondContact NH1-OD1 3.48Å; R473-D589 IonicContact NH1-OD2 3.49Å; R473-D589 PolarHBondContact NH1-OD2 2.77Å; R473-R665 VanDerWaalsContact NH1-NH2 3.12Å |
| 474 | N | 94.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27.6 | -167.4 | -60.4 | 103.1 | 0 | 0 | 0 | 113.9 | P444 G447 I462 G472 | P444-N474 WeakPolarHBondContact O-CA 3.41Å; P444-N474 PolarHBondContact O-ND2 3.42Å; G447-N474 WeakPolarHBondContact CA-O 3.49Å; I462-N474 HydrophobicContact CD1-CB 3.84Å; G472-N474 PolarHBondContact O-N 3.45Å |
| 475 | D | 94.7 | Very high | 95.3 | Very high | 25 Ų | 25 | 15.3 Ų | 15.3 | 13% | 0.134 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.1 | 9.1 | -171.6 | 58.9 | 8.3 | 0 | 0 | 0 | 113.8 | W449 R451 N477 T480 | W449-D475 HydrophobicContact CE3-CB 4.1Å; W449-D475 HydrophobicContact CZ3-CB 4.42Å; R451-D475 HydrophobicContact CB-CB 4.21Å; R451-D475 WeakPolarHBondContact CD-OD2 3.44Å; R451-D475 IonicContact CZ-OD2 2.73Å; R451-D475 IonicContact NE-OD2 3.71Å; R451-D475 IonicContact NH1-OD2 3.89Å; R451-D475 PolarHBondContact NH1-OD2 3.25Å; D475-N477 PolarHBondContact O-N 2.75Å; D475-N477 VanDerWaalsContact O-N 3.15Å; D475-N477 WeakPolarHBondContact OD1-CB 3.28Å; D475-N477 PolarHBondContact OD1-N 2.99Å; D475-T480 PolarHBondContact OD2-OG1 3.14Å; D475-T480 VanDerWaalsContact OD2-OG1 3.11Å |
| 476 | A | 91.7 | Very high | 95.3 | Very high | 60 Ų | 60 | 15.3 Ų | 15.3 | 50% | 0.496 | 10% | 0.101 | S | C | . | . | S | Bend | trans | 58.6 | 18.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | G472 P478 | G472-A476 WeakPolarHBondContact O-CA 3.48Å; G472-A476 PolarHBondContact O-N 3.12Å; A476-P478 WeakPolarHBondContact O-CD 3.32Å |
| 477 | N | 93.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | trans | -98.9 | 109.8 | 171.3 | -178.1 | 18.3 | 0 | 0 | 0 | 110.7 | G457 D458 G472 D475 A479 T480 | G457-N477 WeakPolarHBondContact CA-OD1 3.29Å; G457-N477 PolarHBondContact N-OD1 2.86Å; D458-N477 PolarHBondContact O-ND2 2.89Å; G472-N477 WeakPolarHBondContact CA-O 3.44Å; D475-N477 PolarHBondContact O-N 2.75Å; D475-N477 VanDerWaalsContact O-N 3.15Å; D475-N477 WeakPolarHBondContact OD1-CB 3.28Å; D475-N477 PolarHBondContact OD1-N 2.99Å; N477-A479 PolarHBondContact O-N 3.31Å; N477-A479 VanDerWaalsContact O-N 3.13Å; N477-A479 PolarHBondContact OD1-N 3.01Å; N477-T480 WeakPolarHBondContact CB-OG1 3.41Å; N477-T480 PolarHBondContact ND2-OG1 2.73Å; N477-T480 PolarHBondContact O-N 2.87Å; N477-T480 VanDerWaalsContact O-N 3.17Å | ||
| 478 | P | 91.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 15.4 Ų | 15.4 | 41% | 0.409 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.7 | 179.7 | -22.6 | 34.2 | 0 | 0 | 0 | 114.4 | T471 A476 | T471-P478 HydrophobicContact CG2-CB 3.81Å; A476-P478 WeakPolarHBondContact O-CD 3.32Å |
| 479 | A | 95 | Very high | 95.6 | Very high | 19 Ų | 19 | 15.3 Ų | 15.3 | 16% | 0.157 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | G457 D458 K459 N477 H481 | G457-A479 WeakPolarHBondContact O-CB 3.35Å; D458-A479 VanDerWaalsContact O-CB 3.23Å; D458-A479 WeakPolarHBondContact O-CB 3.46Å; K459-A479 HydrophobicContact CG-CB 4.14Å; N477-A479 PolarHBondContact O-N 3.31Å; N477-A479 VanDerWaalsContact O-N 3.13Å; N477-A479 PolarHBondContact OD1-N 3.01Å; A479-H481 PolarHBondContact O-N 2.84Å; A479-H481 PolarHBondContact O-ND1 2.92Å |
| 480 | T | 97.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.6 | 176.7 | -64.8 | 0 | 0 | 0 | 0 | 111.3 | F347 N460 I462 D475 N477 | F347-T480 WeakPolarHBondContact CE1-O 3.46Å; N460-T480 WeakPolarHBondContact OD1-CA 3.08Å; N460-T480 WeakPolarHBondContact OD1-CB 3.33Å; N460-T480 PolarHBondContact OD1-OG1 2.81Å; I462-T480 HydrophobicContact CD1-CG2 3.8Å; I462-T480 HydrophobicContact CG1-CG2 3.79Å; I462-T480 HydrophobicContact CG2-CG2 4.3Å; D475-T480 PolarHBondContact OD2-OG1 3.14Å; D475-T480 VanDerWaalsContact OD2-OG1 3.11Å; N477-T480 WeakPolarHBondContact CB-OG1 3.41Å; N477-T480 PolarHBondContact ND2-OG1 2.73Å; N477-T480 PolarHBondContact O-N 2.87Å; N477-T480 VanDerWaalsContact O-N 3.17Å |
| 481 | H | 98.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 14.8 Ų | 14.8 | 9% | 0.093 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 105.4 | 175.7 | -68.7 | 52.9 | 0 | 0 | 0 | 108.4 | P346 F347 W367 N460 T461 I462 A479 F483 | P346-H481 HydrophobicContact CB-CB 3.6Å; P346-H481 HydrophobicContact CG-CB 4.37Å; F347-H481 AromaticContact CE2-CD2 3.99Å; F347-H481 AromaticContact CE2-NE2 3.83Å; F347-H481 AromaticContact CZ-CE1 3.68Å; F347-H481 AromaticContact CZ-CG 3.98Å; F347-H481 AromaticContact CZ-ND1 3.76Å; F347-H481 AromaticContact CZ-NE2 3.88Å; W367-H481 AromaticContact CD1-CD2 3.42Å; W367-H481 VanDerWaalsContact CD1-CD2 3.42Å; W367-H481 AromaticContact CD1-NE2 3.62Å; W367-H481 AromaticContact CG-CD2 3.78Å; N460-H481 PolarHBondContact O-N 2.87Å; T461-H481 WeakPolarHBondContact CA-O 3.32Å; I462-H481 PolarHBondContact N-O 2.99Å; A479-H481 PolarHBondContact O-N 2.84Å; A479-H481 PolarHBondContact O-ND1 2.92Å; H481-F483 HydrophobicContact CB-CE2 4.11Å |
| 482 | A | 98.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 3% | 0.025 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P346 I462 N469 | P346-A482 CarbonylContact C-O 3.5Å; P346-A482 VanDerWaalsContact CA-O 3.26Å; P346-A482 WeakPolarHBondContact CA-O 3.37Å; P346-A482 PolarHBondContact O-N 2.95Å; I462-A482 HydrophobicContact CD1-CB 4.04Å; I462-A482 HydrophobicContact CG1-CB 3.8Å; N469-A482 HydrophobicContact CB-CB 3.73Å; N469-A482 WeakPolarHBondContact CB-O 3.44Å; N469-A482 PolarHBondContact ND2-O 2.82Å |
| 483 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.4 | 174.4 | -63.7 | -92.4 | 0 | 0 | 0 | 110.6 | V343 N344 P346 L358 W367 T461 I462 V463 S464 H481 L499 | V343-F483 HydrophobicContact CG1-CB 3.61Å; V343-F483 HydrophobicContact CG1-CD1 3.85Å; V343-F483 HydrophobicContact CG1-CG 4.05Å; N344-F483 CarbonylContact O-C 3.46Å; N344-F483 VanDerWaalsContact O-CA 3.26Å; N344-F483 WeakPolarHBondContact O-CA 3.18Å; P346-F483 HydrophobicContact CB-CD2 4.49Å; P346-F483 HydrophobicContact CB-CE1 4.11Å; P346-F483 HydrophobicContact CB-CE2 3.89Å; P346-F483 HydrophobicContact CB-CZ 3.68Å; P346-F483 HydrophobicContact CG-CZ 4.15Å; L358-F483 HydrophobicContact CD1-CE1 4.38Å; W367-F483 AromaticContact CD2-CZ 3.99Å; W367-F483 HydrophobicContact CD2-CZ 3.99Å; W367-F483 AromaticContact CE3-CE1 3.82Å; W367-F483 HydrophobicContact CE3-CE1 3.82Å; W367-F483 AromaticContact CE3-CZ 3.45Å; W367-F483 HydrophobicContact CE3-CZ 3.45Å; W367-F483 VanDerWaalsContact CE3-CZ 3.45Å; W367-F483 AromaticContact CZ3-CE1 3.8Å; W367-F483 HydrophobicContact CZ3-CE1 3.8Å; W367-F483 AromaticContact CZ3-CZ 3.94Å; W367-F483 HydrophobicContact CZ3-CZ 3.94Å; T461-F483 HydrophobicContact CG2-CD2 3.92Å; T461-F483 HydrophobicContact CG2-CE2 3.97Å; I462-F483 PolarHBondContact O-N 3.29Å; V463-F483 CarbonylContact C-O 3.5Å; V463-F483 WeakPolarHBondContact CA-O 3.08Å; V463-F483 HydrophobicContact CG1-CB 4.19Å; S464-F483 PolarHBondContact N-O 3.37Å; S464-F483 PolarHBondContact OG-O 3.48Å; H481-F483 HydrophobicContact CB-CE2 4.11Å; F483-L499 HydrophobicContact CD2-CD1 4.23Å; F483-L499 HydrophobicContact CD2-CD2 4.07Å; F483-L499 HydrophobicContact CE2-CD1 3.57Å; F483-L499 HydrophobicContact CE2-CD2 4.26Å; F483-L499 HydrophobicContact CG-CD2 4.48Å; F483-L499 HydrophobicContact CZ-CD1 3.85Å |
| 484 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.8 | 178.3 | -69.1 | 0 | 0 | 0 | 0 | 110.3 | L242 M279 N344 S464 N469 | L242-V484 HydrophobicContact CD2-CG2 4.22Å; M279-V484 HydrophobicContact CE-CG2 3.85Å; N344-V484 HydrophobicContact CB-CG2 3.95Å; N344-V484 PolarHBondContact N-O 3.22Å; N344-V484 PolarHBondContact O-N 3.01Å; S464-V484 CarbonylContact O-C 3.48Å; S464-V484 VanDerWaalsContact O-CA 3.27Å; S464-V484 WeakPolarHBondContact O-CA 3.33Å; N469-V484 HydrophobicContact CB-CG1 4.09Å |
| 485 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -153.3 | -167.1 | -178.9 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | K238 H342 V343 S464 S465 L489 V490 | K238-T485 PolarHBondContact NZ-O 2.89Å; H342-T485 WeakPolarHBondContact O-CB 3.41Å; H342-T485 PolarHBondContact O-OG1 3.38Å; V343-T485 HydrophobicContact CG2-CG2 4.37Å; S464-T485 PolarHBondContact O-N 3.34Å; S465-T485 VanDerWaalsContact CA-O 3.25Å; S465-T485 WeakPolarHBondContact CA-O 3.27Å; T485-L489 HydrophobicContact CG2-CB 4.06Å; T485-L489 HydrophobicContact CG2-CD2 4.46Å; T485-L489 HydrophobicContact CG2-CG 4.3Å; T485-L489 VanDerWaalsContact OG1-CD2 3.28Å; T485-L489 WeakPolarHBondContact OG1-CD2 3.3Å; T485-V490 HydrophobicContact CG2-CG2 3.56Å | ||
| 486 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -77.9 | 152.9 | 175.6 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | S236 E488 L489 V490 | S236-S486 WeakPolarHBondContact OG-CB 3.01Å; S486-E488 VanDerWaalsContact C-N 3.31Å; S486-E488 PolarHBondContact O-N 3.29Å; S486-E488 WeakPolarHBondContact OG-CG 3.29Å; S486-L489 PolarHBondContact O-N 2.88Å; S486-L489 VanDerWaalsContact O-N 3.12Å; S486-L489 VanDerWaalsContact OG-CB 3.29Å; S486-L489 WeakPolarHBondContact OG-CB 3.28Å; S486-L489 PolarHBondContact OG-N 3.15Å; S486-V490 WeakPolarHBondContact O-CG2 3.35Å; S486-V490 PolarHBondContact O-N 3.03Å | ||
| 487 | P | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.006 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.2 | -35.3 | -177.8 | 25.4 | -33.4 | 0 | 0 | 0 | 112.9 | I376 N381 D386 A390 T491 | I376-P487 HydrophobicContact CB-CB 3.96Å; I376-P487 HydrophobicContact CG2-CB 3.83Å; I376-P487 WeakPolarHBondContact CG2-O 3.45Å; N381-P487 HydrophobicContact CB-CG 4.02Å; D386-P487 HydrophobicContact CB-CG 3.78Å; A390-P487 HydrophobicContact CB-CB 4.47Å; P487-T491 WeakPolarHBondContact O-CB 3.34Å; P487-T491 PolarHBondContact O-N 3.22Å; P487-T491 PolarHBondContact O-OG1 3.29Å |
| 488 | E | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 171.7 | 56.4 | -96.6 | -124 | 0 | 0 | 112.4 | S236 R389 L393 S486 T491 A492 P521 | S236-E488 WeakPolarHBondContact CB-OE1 3.35Å; R389-E488 IonicContact CZ-OE1 2.76Å; R389-E488 IonicContact NE-OE1 2.71Å; R389-E488 PolarHBondContact NE-OE1 3.2Å; R389-E488 IonicContact NH2-OE1 2.73Å; R389-E488 PolarHBondContact NH2-OE1 3.04Å; L393-E488 HydrophobicContact CD1-CB 3.8Å; L393-E488 WeakPolarHBondContact CD1-O 3.37Å; S486-E488 VanDerWaalsContact C-N 3.31Å; S486-E488 PolarHBondContact O-N 3.29Å; S486-E488 WeakPolarHBondContact OG-CG 3.29Å; E488-T491 WeakPolarHBondContact O-CB 3.45Å; E488-T491 PolarHBondContact O-N 3.13Å; E488-A492 PolarHBondContact O-N 3.24Å; E488-P521 HydrophobicContact CB-CB 4.04Å; E488-P521 HydrophobicContact CB-CG 3.85Å; E488-P521 HydrophobicContact CG-CG 3.93Å |
| 489 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -73.8 | -38.6 | -178.5 | -168.1 | 55.4 | 0 | 0 | 0 | 111 | P341 V343 I355 T485 S486 T491 A492 L493 P503 | P341-L489 HydrophobicContact CB-CD2 3.95Å; V343-L489 HydrophobicContact CG2-CD2 3.68Å; I355-L489 HydrophobicContact CB-CD2 4.34Å; I355-L489 HydrophobicContact CD1-CD1 4.23Å; I355-L489 HydrophobicContact CD1-CD2 4.1Å; I355-L489 HydrophobicContact CG1-CD1 4.23Å; I355-L489 HydrophobicContact CG1-CD2 4.27Å; T485-L489 HydrophobicContact CG2-CB 4.06Å; T485-L489 HydrophobicContact CG2-CD2 4.46Å; T485-L489 HydrophobicContact CG2-CG 4.3Å; T485-L489 VanDerWaalsContact OG1-CD2 3.28Å; T485-L489 WeakPolarHBondContact OG1-CD2 3.3Å; S486-L489 PolarHBondContact O-N 2.88Å; S486-L489 VanDerWaalsContact O-N 3.12Å; S486-L489 VanDerWaalsContact OG-CB 3.29Å; S486-L489 WeakPolarHBondContact OG-CB 3.28Å; S486-L489 PolarHBondContact OG-N 3.15Å; L489-T491 VanDerWaalsContact C-N 3.28Å; L489-T491 PolarHBondContact O-N 2.71Å; L489-A492 PolarHBondContact O-N 2.97Å; L489-L493 HydrophobicContact CD1-CG 4.5Å; L489-L493 HydrophobicContact CG-CD1 4.14Å; L489-L493 HydrophobicContact CG-CG 4.45Å; L489-L493 VanDerWaalsContact O-CB 3.31Å; L489-L493 WeakPolarHBondContact O-CB 3.38Å; L489-L493 WeakPolarHBondContact O-CG 3.44Å; L489-L493 PolarHBondContact O-N 2.88Å; L489-P503 HydrophobicContact CD1-CG 3.52Å |
| 490 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | 168.1 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | I376 F408 V463 S464 T485 S486 A492 L493 V494 | I376-V490 HydrophobicContact CG2-CB 3.63Å; I376-V490 HydrophobicContact CG2-CG1 3.5Å; I376-V490 HydrophobicContact CG2-CG2 4.32Å; F408-V490 HydrophobicContact CE2-CG1 4.11Å; V463-V490 HydrophobicContact CG2-CG1 4.13Å; S464-V490 VanDerWaalsContact C-CG2 3.45Å; T485-V490 HydrophobicContact CG2-CG2 3.56Å; S486-V490 WeakPolarHBondContact O-CG2 3.35Å; S486-V490 PolarHBondContact O-N 3.03Å; V490-A492 PolarHBondContact O-N 3.43Å; V490-L493 PolarHBondContact O-N 3.44Å; V490-V494 PolarHBondContact O-N 2.91Å |
| 491 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | -179.3 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | A390 L393 A394 F408 P487 E488 L489 L493 V494 F495 | A390-T491 WeakPolarHBondContact CB-OG1 3.17Å; L393-T491 HydrophobicContact CB-CG2 4.22Å; A394-T491 HydrophobicContact CB-CG2 4.48Å; F408-T491 HydrophobicContact CZ-CG2 4.16Å; F408-T491 WeakPolarHBondContact CZ-OG1 3.14Å; P487-T491 WeakPolarHBondContact O-CB 3.34Å; P487-T491 PolarHBondContact O-N 3.22Å; P487-T491 PolarHBondContact O-OG1 3.29Å; E488-T491 WeakPolarHBondContact O-CB 3.45Å; E488-T491 PolarHBondContact O-N 3.13Å; L489-T491 VanDerWaalsContact C-N 3.28Å; L489-T491 PolarHBondContact O-N 2.71Å; T491-L493 PolarHBondContact O-N 2.94Å; T491-V494 WeakPolarHBondContact O-CG2 3.35Å; T491-F495 HydrophobicContact CG2-CE2 4.19Å; T491-F495 WeakPolarHBondContact O-CD2 3.31Å |
| 492 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W234 L393 E488 L489 V490 V494 F495 G496 F501 P503 F518 | W234-A492 HydrophobicContact CH2-CB 3.92Å; W234-A492 HydrophobicContact CZ3-CB 3.84Å; L393-A492 HydrophobicContact CD1-CB 4.28Å; E488-A492 PolarHBondContact O-N 3.24Å; L489-A492 PolarHBondContact O-N 2.97Å; V490-A492 PolarHBondContact O-N 3.43Å; A492-V494 PolarHBondContact O-N 3.47Å; A492-F495 PolarHBondContact O-N 3.09Å; A492-G496 PolarHBondContact O-N 2.88Å; A492-F501 HydrophobicContact CB-CE1 4.43Å; A492-F501 WeakPolarHBondContact O-CE1 3.43Å; A492-P503 HydrophobicContact CB-CB 3.77Å; A492-P503 HydrophobicContact CB-CG 3.83Å; A492-F518 HydrophobicContact CB-CD2 4.34Å; A492-F518 HydrophobicContact CB-CE2 4.31Å |
| 493 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.1 | -32.2 | -178.8 | -74.4 | 172.7 | 0 | 0 | 0 | 113.1 | I371 V463 L489 V490 T491 F495 G496 G497 F501 | I371-L493 HydrophobicContact CD1-CB 3.77Å; I371-L493 HydrophobicContact CD1-CD2 4.34Å; I371-L493 HydrophobicContact CD1-CG 4.47Å; V463-L493 HydrophobicContact CG1-CD1 4.22Å; V463-L493 HydrophobicContact CG2-CB 4.41Å; L489-L493 HydrophobicContact CD1-CG 4.5Å; L489-L493 HydrophobicContact CG-CD1 4.14Å; L489-L493 HydrophobicContact CG-CG 4.45Å; L489-L493 VanDerWaalsContact O-CB 3.31Å; L489-L493 WeakPolarHBondContact O-CB 3.38Å; L489-L493 WeakPolarHBondContact O-CG 3.44Å; L489-L493 PolarHBondContact O-N 2.88Å; V490-L493 PolarHBondContact O-N 3.44Å; T491-L493 PolarHBondContact O-N 2.94Å; L493-F495 VanDerWaalsContact C-N 3.33Å; L493-F495 PolarHBondContact O-N 3.09Å; L493-G496 PolarHBondContact O-N 3.28Å; L493-G497 PolarHBondContact O-N 3.48Å; L493-F501 HydrophobicContact CD2-CB 4.49Å; L493-F501 HydrophobicContact CD2-CD1 4.43Å; L493-F501 WeakPolarHBondContact CD2-O 3.36Å |
| 494 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.6 | -27.8 | 174.1 | -66 | 0 | 0 | 0 | 0 | 113.4 | G374 I404 K405 S406 F408 V490 T491 A492 | G374-V494 VanDerWaalsContact CA-CG1 3.47Å; I404-V494 HydrophobicContact CG2-CG2 4.19Å; K405-V494 PolarHBondContact N-O 2.88Å; S406-V494 PolarHBondContact N-O 3.48Å; F408-V494 HydrophobicContact CB-CG2 4.5Å; F408-V494 HydrophobicContact CD2-CB 4.49Å; F408-V494 HydrophobicContact CD2-CG1 3.98Å; F408-V494 HydrophobicContact CD2-CG2 3.86Å; F408-V494 HydrophobicContact CE2-CG2 4.21Å; F408-V494 HydrophobicContact CG-CG2 4.14Å; V490-V494 PolarHBondContact O-N 2.91Å; T491-V494 WeakPolarHBondContact O-CG2 3.35Å; A492-V494 PolarHBondContact O-N 3.47Å |
| 495 | F | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.6 | -38.2 | 169 | -75.2 | -75.5 | 0 | 0 | 0 | 111.7 | A397 V402 I404 K405 I433 T491 A492 L493 L508 F518 | A397-F495 HydrophobicContact CB-CD1 3.89Å; A397-F495 HydrophobicContact CB-CD2 4.28Å; A397-F495 HydrophobicContact CB-CE1 3.39Å; A397-F495 HydrophobicContact CB-CE2 3.84Å; A397-F495 HydrophobicContact CB-CG 4.32Å; A397-F495 HydrophobicContact CB-CZ 3.37Å; V402-F495 HydrophobicContact CG1-CD1 4.01Å; V402-F495 WeakPolarHBondContact O-CE1 3.01Å; I404-F495 HydrophobicContact CB-CD1 4.43Å; I404-F495 HydrophobicContact CB-CE1 4.43Å; I404-F495 HydrophobicContact CG2-CD1 3.75Å; I404-F495 HydrophobicContact CG2-CD2 4.28Å; I404-F495 HydrophobicContact CG2-CE1 3.45Å; I404-F495 VanDerWaalsContact CG2-CE1 3.45Å; I404-F495 HydrophobicContact CG2-CE2 4.01Å; I404-F495 HydrophobicContact CG2-CG 4.15Å; I404-F495 HydrophobicContact CG2-CZ 3.59Å; K405-F495 WeakPolarHBondContact CD-O 3.33Å; K405-F495 VanDerWaalsContact CE-O 3.32Å; K405-F495 WeakPolarHBondContact CE-O 3.21Å; I433-F495 HydrophobicContact CB-CZ 4.07Å; I433-F495 HydrophobicContact CD1-CE2 3.95Å; I433-F495 HydrophobicContact CD1-CZ 3.7Å; I433-F495 HydrophobicContact CG2-CZ 4.01Å; T491-F495 HydrophobicContact CG2-CE2 4.19Å; T491-F495 WeakPolarHBondContact O-CD2 3.31Å; A492-F495 PolarHBondContact O-N 3.09Å; L493-F495 VanDerWaalsContact C-N 3.33Å; L493-F495 PolarHBondContact O-N 3.09Å; F495-L508 HydrophobicContact CB-CD1 3.7Å; F495-F518 HydrophobicContact CB-CE2 4.06Å; F495-F518 HydrophobicContact CB-CZ 3.95Å; F495-F518 HydrophobicContact CD2-CE1 4.48Å; F495-F518 HydrophobicContact CD2-CE2 4.42Å; F495-F518 AromaticContact CD2-CZ 3.63Å; F495-F518 HydrophobicContact CD2-CZ 3.63Å; F495-F518 HydrophobicContact CE2-CZ 4.33Å; F495-F518 HydrophobicContact CG-CE2 4.48Å; F495-F518 AromaticContact CG-CZ 3.87Å; F495-F518 HydrophobicContact CG-CZ 3.87Å |
| 496 | G | 97.9 | Very high | 98.3 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 8% | 0.082 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K405 A492 L493 S498 | K405-G496 WeakPolarHBondContact CD-O 3.5Å; K405-G496 PolarHBondContact NZ-O 3.34Å; A492-G496 PolarHBondContact O-N 2.88Å; L493-G496 PolarHBondContact O-N 3.28Å; G496-S498 PolarHBondContact O-N 3.17Å |
| 497 | G | 98.1 | Very high | 98.3 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 5.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H370 I371 L493 | H370-G497 PolarHBondContact ND1-O 3.1Å; I371-G497 PolarHBondContact N-O 3.23Å; L493-G497 PolarHBondContact O-N 3.48Å |
| 498 | S | 98.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 21 Ų | 21 | 21% | 0.21 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -150.4 | 145 | -172.8 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | L369 G496 S500 F501 | L369-S498 CarbonylContact O-C 3.44Å; L369-S498 WeakPolarHBondContact O-CA 3.42Å; L369-S498 PolarHBondContact O-OG 3.41Å; G496-S498 PolarHBondContact O-N 3.17Å; S498-S500 PolarHBondContact O-N 3.45Å; S498-S500 PolarHBondContact OG-N 3.4Å; S498-S500 VanDerWaalsContact OG-N 3.12Å; S498-F501 WeakPolarHBondContact O-CB 3.14Å; S498-F501 PolarHBondContact O-N 3.39Å; S498-F501 VanDerWaalsContact O-N 3.12Å |
| 499 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.9 | 168.7 | -65.8 | 179.5 | 0 | 0 | 0 | 113 | L358 A362 L369 I371 T461 V463 F483 F501 | L358-L499 HydrophobicContact CD2-CB 4.38Å; L358-L499 HydrophobicContact CD2-CD2 4.12Å; L358-L499 HydrophobicContact CG-CB 4.37Å; A362-L499 HydrophobicContact CB-CB 4.37Å; A362-L499 HydrophobicContact CB-CD1 4.02Å; L369-L499 HydrophobicContact CD2-CB 4.36Å; L369-L499 PolarHBondContact O-N 3.25Å; I371-L499 HydrophobicContact CD1-CD2 4.21Å; I371-L499 HydrophobicContact CG1-CD2 4.22Å; I371-L499 HydrophobicContact CG1-CG 4.34Å; T461-L499 HydrophobicContact CG2-CD1 3.87Å; T461-L499 HydrophobicContact CG2-CD2 3.91Å; T461-L499 HydrophobicContact CG2-CG 3.91Å; V463-L499 HydrophobicContact CG1-CD2 3.9Å; F483-L499 HydrophobicContact CD2-CD1 4.23Å; F483-L499 HydrophobicContact CD2-CD2 4.07Å; F483-L499 HydrophobicContact CE2-CD1 3.57Å; F483-L499 HydrophobicContact CE2-CD2 4.26Å; F483-L499 HydrophobicContact CG-CD2 4.48Å; F483-L499 HydrophobicContact CZ-CD1 3.85Å; L499-F501 VanDerWaalsContact C-N 3.29Å |
| 500 | S | 98.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 24.9 Ų | 24.9 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10 | 176 | -61.2 | 0 | 0 | 0 | 0 | 114 | S359 S498 | S359-S500 WeakPolarHBondContact OG-CA 3.39Å; S359-S500 VanDerWaalsContact OG-CB 3.3Å; S359-S500 WeakPolarHBondContact OG-CB 3.11Å; S359-S500 PolarHBondContact OG-OG 3.08Å; S359-S500 VanDerWaalsContact OG-OG 3.12Å; S498-S500 PolarHBondContact O-N 3.45Å; S498-S500 PolarHBondContact OG-N 3.4Å; S498-S500 VanDerWaalsContact OG-N 3.12Å |
| 501 | F | 98.4 | Very high | 97 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | trans | -81.1 | 122.5 | 179.9 | 178 | -114.1 | 0 | 0 | 0 | 111 | A492 L493 S498 L499 P503 D506 L508 F518 | A492-F501 HydrophobicContact CB-CE1 4.43Å; A492-F501 WeakPolarHBondContact O-CE1 3.43Å; L493-F501 HydrophobicContact CD2-CB 4.49Å; L493-F501 HydrophobicContact CD2-CD1 4.43Å; L493-F501 WeakPolarHBondContact CD2-O 3.36Å; S498-F501 WeakPolarHBondContact O-CB 3.14Å; S498-F501 PolarHBondContact O-N 3.39Å; S498-F501 VanDerWaalsContact O-N 3.12Å; L499-F501 VanDerWaalsContact C-N 3.29Å; F501-P503 HydrophobicContact CE1-CB 3.83Å; F501-P503 HydrophobicContact CZ-CB 4.17Å; F501-D506 HydrophobicContact CD2-CB 3.74Å; F501-D506 HydrophobicContact CE2-CB 3.62Å; F501-L508 HydrophobicContact CD2-CD2 4.07Å; F501-L508 HydrophobicContact CE2-CD2 3.52Å; F501-L508 HydrophobicContact CE2-CG 3.86Å; F501-L508 HydrophobicContact CZ-CD1 4.03Å; F501-L508 HydrophobicContact CZ-CD2 3.82Å; F501-L508 HydrophobicContact CZ-CG 3.82Å; F501-F518 HydrophobicContact CE1-CD2 4.32Å; F501-F518 HydrophobicContact CE1-CE2 4.26Å; F501-F518 HydrophobicContact CZ-CD2 4.12Å; F501-F518 HydrophobicContact CZ-CE2 4.23Å | ||
| 502 | N | 98.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | trans | -109.7 | 107.4 | 172.4 | -178.4 | -4.4 | 0 | 0 | 0 | 110.4 | L504 T505 D506 | N502-L504 PolarHBondContact O-N 3.47Å; N502-L504 VanDerWaalsContact O-N 3.09Å; N502-L504 WeakPolarHBondContact OD1-CB 3.42Å; N502-L504 PolarHBondContact OD1-N 3.35Å; N502-T505 PolarHBondContact ND2-OG1 3.21Å; N502-T505 PolarHBondContact O-N 3.16Å; N502-T505 VanDerWaalsContact O-N 3.14Å; N502-T505 PolarHBondContact O-OG1 3.21Å; N502-D506 PolarHBondContact N-OD2 2.79Å; N502-D506 VanDerWaalsContact O-CB 3.25Å; N502-D506 WeakPolarHBondContact O-CB 3.46Å; N502-D506 VanDerWaalsContact O-CG 3.29Å; N502-D506 PolarHBondContact O-N 2.9Å | ||
| 503 | P | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -9.5 | -176.4 | 29.4 | -35.5 | 0 | 0 | 0 | 114.7 | W234 L489 A492 F501 F518 | W234-P503 HydrophobicContact CE3-CG 4.23Å; W234-P503 HydrophobicContact CH2-CB 3.52Å; W234-P503 HydrophobicContact CH2-CG 3.92Å; W234-P503 HydrophobicContact CZ2-CB 3.75Å; W234-P503 HydrophobicContact CZ2-CG 4.3Å; W234-P503 HydrophobicContact CZ3-CB 4.01Å; W234-P503 HydrophobicContact CZ3-CG 3.86Å; L489-P503 HydrophobicContact CD1-CG 3.52Å; A492-P503 HydrophobicContact CB-CB 3.77Å; A492-P503 HydrophobicContact CB-CG 3.83Å; F501-P503 HydrophobicContact CE1-CB 3.83Å; F501-P503 HydrophobicContact CZ-CB 4.17Å; P503-F518 HydrophobicContact CB-CD2 4.29Å |
| 504 | L | 97.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -30.3 | 175.3 | -75.9 | 59.6 | 0 | 0 | 0 | 111.3 | W234 P341 I355 N502 | W234-L504 HydrophobicContact CB-CD1 4Å; W234-L504 HydrophobicContact CD2-CD1 3.84Å; W234-L504 HydrophobicContact CG-CD1 3.56Å; W234-L504 HydrophobicContact CG-CG 4.1Å; P341-L504 HydrophobicContact CG-CD1 4.4Å; I355-L504 HydrophobicContact CG2-CD1 4.12Å; I355-L504 HydrophobicContact CG2-CD2 4.14Å; N502-L504 PolarHBondContact O-N 3.47Å; N502-L504 VanDerWaalsContact O-N 3.09Å; N502-L504 WeakPolarHBondContact OD1-CB 3.42Å; N502-L504 PolarHBondContact OD1-N 3.35Å |
| 505 | T | 97.3 | Very high | 95.9 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -38 | -171.9 | 51 | 0 | 0 | 0 | 0 | 113.1 | N502 | N502-T505 PolarHBondContact ND2-OG1 3.21Å; N502-T505 PolarHBondContact O-N 3.16Å; N502-T505 VanDerWaalsContact O-N 3.14Å; N502-T505 PolarHBondContact O-OG1 3.21Å |
| 506 | D | 98 | Very high | 95.8 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | trans | -88.8 | 153 | -162.3 | -58.1 | -6.4 | 0 | 0 | 0 | 112.6 | F501 N502 K517 | F501-D506 HydrophobicContact CD2-CB 3.74Å; F501-D506 HydrophobicContact CE2-CB 3.62Å; N502-D506 PolarHBondContact N-OD2 2.79Å; N502-D506 VanDerWaalsContact O-CB 3.25Å; N502-D506 WeakPolarHBondContact O-CB 3.46Å; N502-D506 VanDerWaalsContact O-CG 3.29Å; N502-D506 PolarHBondContact O-N 2.9Å; D506-K517 WeakPolarHBondContact O-CG 3.5Å | ||
| 507 | E | 97.6 | Very high | 95.7 | Very high | 118 Ų | 118 | 52.2 Ų | 52.2 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | trans | -105.8 | 144.2 | 175.6 | -58.1 | -173.8 | 143.3 | 0 | 0 | 111.1 | K515 F516 K517 | E507-K515 WeakPolarHBondContact OE2-CB 3.09Å; E507-F516 CarbonylContact C-O 3.57Å; E507-F516 WeakPolarHBondContact CA-O 3.43Å; E507-K517 HydrophobicContact CG-CB 4.28Å | ||
| 508 | L | 96.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 159.2 | 166.4 | -60.3 | 176.7 | 0 | 0 | 0 | 109.8 | V402 F495 F501 K515 F516 F518 | V402-L508 HydrophobicContact CG1-CB 4.21Å; V402-L508 HydrophobicContact CG1-CD1 3.91Å; F495-L508 HydrophobicContact CB-CD1 3.7Å; F501-L508 HydrophobicContact CD2-CD2 4.07Å; F501-L508 HydrophobicContact CE2-CD2 3.52Å; F501-L508 HydrophobicContact CE2-CG 3.86Å; F501-L508 HydrophobicContact CZ-CD1 4.03Å; F501-L508 HydrophobicContact CZ-CD2 3.82Å; F501-L508 HydrophobicContact CZ-CG 3.82Å; L508-K515 WeakPolarHBondContact O-CA 3.26Å; L508-F516 HydrophobicContact CB-CD1 4.33Å; L508-F516 HydrophobicContact CD1-CD1 4.48Å; L508-F516 PolarHBondContact N-O 3.18Å; L508-F516 PolarHBondContact O-N 3.17Å; L508-F518 HydrophobicContact CD1-CD2 4.4Å; L508-F518 HydrophobicContact CD1-CE2 3.6Å; L508-F518 HydrophobicContact CD1-CZ 4.13Å |
| 509 | T | 93.5 | Very high | 95.7 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.8 | 175.4 | -52.7 | 0 | 0 | 0 | 0 | 108.2 | S514 K515 | T509-S514 WeakPolarHBondContact CA-O 3.43Å; T509-K515 PolarHBondContact OG1-NZ 3.15Å |
| 510 | A | 90.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | trans | -77.9 | 169.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K400 V402 D512 G513 S514 | K400-A510 WeakPolarHBondContact O-CB 3.25Å; V402-A510 HydrophobicContact CG2-CB 3.91Å; A510-D512 WeakPolarHBondContact CB-OD1 3.49Å; A510-D512 PolarHBondContact O-N 3.34Å; A510-G513 PolarHBondContact O-N 3.48Å; A510-S514 PolarHBondContact N-O 3.32Å | ||
| 511 | D | 86.9 | Confident | 95.7 | Very high | 119 Ų | 119 | 59.6 Ų | 59.6 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.7 | 178.7 | -74.3 | -4.2 | 0 | 0 | 0 | 112.5 | K403 G513 | K403-D511 VanDerWaalsContact CE-OD2 3.23Å; K403-D511 WeakPolarHBondContact CE-OD2 3.47Å; K403-D511 IonicContact NZ-OD2 2.7Å; K403-D511 PolarHBondContact NZ-OD2 2.97Å; D511-G513 VanDerWaalsContact C-N 3.28Å; D511-G513 PolarHBondContact O-N 3.38Å |
| 512 | D | 90.5 | Very high | 95.6 | Very high | 123 Ų | 123 | 63.4 Ų | 63.4 | 66% | 0.658 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.6 | 175.6 | 71.5 | -4.1 | 0 | 0 | 0 | 113.8 | A510 S514 | A510-D512 WeakPolarHBondContact CB-OD1 3.49Å; A510-D512 PolarHBondContact O-N 3.34Å; D512-S514 VanDerWaalsContact C-N 3.29Å; D512-S514 PolarHBondContact O-N 2.9Å; D512-S514 WeakPolarHBondContact OD1-CB 3.37Å; D512-S514 PolarHBondContact OD1-N 3.45Å; D512-S514 PolarHBondContact OD1-OG 3.26Å; D512-S514 PolarHBondContact OD2-OG 2.88Å |
| 513 | G | 92.4 | Very high | 95.4 | Very high | 47 Ų | 47 | 64 Ų | 64 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 82.7 | -4.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A510 D511 | A510-G513 PolarHBondContact O-N 3.48Å; D511-G513 VanDerWaalsContact C-N 3.28Å; D511-G513 PolarHBondContact O-N 3.38Å |
| 514 | S | 93.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 68.1 Ų | 68.1 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | trans | -67.5 | 147.2 | 177.9 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | T509 A510 D512 | T509-S514 WeakPolarHBondContact CA-O 3.43Å; A510-S514 PolarHBondContact N-O 3.32Å; D512-S514 VanDerWaalsContact C-N 3.29Å; D512-S514 PolarHBondContact O-N 2.9Å; D512-S514 WeakPolarHBondContact OD1-CB 3.37Å; D512-S514 PolarHBondContact OD1-N 3.45Å; D512-S514 PolarHBondContact OD1-OG 3.26Å; D512-S514 PolarHBondContact OD2-OG 2.88Å | ||
| 515 | K | 95.4 | Very high | 95.2 | Very high | 130 Ų | 130 | 67.8 Ų | 67.8 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139 | 175.8 | -60.9 | -62.1 | 179.2 | -178.9 | 0 | 110.6 | E507 L508 T509 | E507-K515 WeakPolarHBondContact OE2-CB 3.09Å; L508-K515 WeakPolarHBondContact O-CA 3.26Å; T509-K515 PolarHBondContact OG1-NZ 3.15Å |
| 516 | F | 95.1 | Very high | 95.3 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 123.6 | -177.7 | 165.9 | -107.9 | 0 | 0 | 0 | 110.5 | Q396 A397 K400 V402 E507 L508 F518 | Q396-F516 HydrophobicContact CB-CE2 4.13Å; Q396-F516 HydrophobicContact CB-CZ 3.74Å; A397-F516 HydrophobicContact CB-CE1 4.42Å; K400-F516 HydrophobicContact CB-CD2 4.22Å; K400-F516 HydrophobicContact CB-CG 4.27Å; K400-F516 HydrophobicContact CG-CD2 3.61Å; K400-F516 HydrophobicContact CG-CE2 4.04Å; K400-F516 HydrophobicContact CG-CG 4.13Å; V402-F516 HydrophobicContact CG2-CB 4.29Å; V402-F516 HydrophobicContact CG2-CD1 3.9Å; V402-F516 HydrophobicContact CG2-CG 4.31Å; E507-F516 CarbonylContact C-O 3.57Å; E507-F516 WeakPolarHBondContact CA-O 3.43Å; L508-F516 HydrophobicContact CB-CD1 4.33Å; L508-F516 HydrophobicContact CD1-CD1 4.48Å; L508-F516 PolarHBondContact N-O 3.18Å; L508-F516 PolarHBondContact O-N 3.17Å; F516-F518 AromaticContact CE1-CD1 3.57Å; F516-F518 HydrophobicContact CE1-CD1 3.57Å; F516-F518 HydrophobicContact CE1-CD2 4.23Å; F516-F518 AromaticContact CE1-CE1 3.46Å; F516-F518 HydrophobicContact CE1-CE1 3.46Å; F516-F518 VanDerWaalsContact CE1-CE1 3.46Å; F516-F518 HydrophobicContact CE1-CE2 4.16Å; F516-F518 AromaticContact CE1-CG 3.95Å; F516-F518 HydrophobicContact CE1-CG 3.95Å; F516-F518 AromaticContact CE1-CZ 3.77Å; F516-F518 HydrophobicContact CE1-CZ 3.77Å; F516-F518 AromaticContact CZ-CD1 3.45Å; F516-F518 HydrophobicContact CZ-CD1 3.45Å; F516-F518 VanDerWaalsContact CZ-CD1 3.45Å; F516-F518 AromaticContact CZ-CE1 3.65Å; F516-F518 HydrophobicContact CZ-CE1 3.65Å; F516-F518 HydrophobicContact CZ-CG 4.06Å; F516-F518 HydrophobicContact CZ-CZ 4.42Å |
| 517 | K | 97.5 | Very high | 95.2 | Very high | 106 Ų | 106 | 63.3 Ų | 63.3 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | trans | -108.8 | 135.1 | 168.3 | -171.9 | 167.8 | 72.8 | 170.4 | 0 | 109.9 | D506 E507 | D506-K517 WeakPolarHBondContact O-CG 3.5Å; E507-K517 HydrophobicContact CG-CB 4.28Å | ||
| 518 | F | 98.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 137.4 | 172.8 | -75.4 | -68 | 0 | 0 | 0 | 111.2 | W234 L393 Q396 A397 A492 F495 F501 P503 L508 F516 | W234-F518 HydrophobicContact CH2-CB 3.78Å; W234-F518 HydrophobicContact CH2-CG 4.27Å; W234-F518 HydrophobicContact CZ2-CB 3.57Å; L393-F518 HydrophobicContact CB-CD1 4.25Å; L393-F518 HydrophobicContact CB-CE1 4.13Å; L393-F518 HydrophobicContact CD2-CB 4.28Å; L393-F518 HydrophobicContact CD2-CD1 3.84Å; L393-F518 HydrophobicContact CD2-CG 4.28Å; L393-F518 WeakPolarHBondContact O-CE1 3.27Å; Q396-F518 HydrophobicContact CB-CD1 4.36Å; A397-F518 HydrophobicContact CB-CE1 3.97Å; A397-F518 HydrophobicContact CB-CZ 4.1Å; A492-F518 HydrophobicContact CB-CD2 4.34Å; A492-F518 HydrophobicContact CB-CE2 4.31Å; F495-F518 HydrophobicContact CB-CE2 4.06Å; F495-F518 HydrophobicContact CB-CZ 3.95Å; F495-F518 HydrophobicContact CD2-CE1 4.48Å; F495-F518 HydrophobicContact CD2-CE2 4.42Å; F495-F518 AromaticContact CD2-CZ 3.63Å; F495-F518 HydrophobicContact CD2-CZ 3.63Å; F495-F518 HydrophobicContact CE2-CZ 4.33Å; F495-F518 HydrophobicContact CG-CE2 4.48Å; F495-F518 AromaticContact CG-CZ 3.87Å; F495-F518 HydrophobicContact CG-CZ 3.87Å; F501-F518 HydrophobicContact CE1-CD2 4.32Å; F501-F518 HydrophobicContact CE1-CE2 4.26Å; F501-F518 HydrophobicContact CZ-CD2 4.12Å; F501-F518 HydrophobicContact CZ-CE2 4.23Å; P503-F518 HydrophobicContact CB-CD2 4.29Å; L508-F518 HydrophobicContact CD1-CD2 4.4Å; L508-F518 HydrophobicContact CD1-CE2 3.6Å; L508-F518 HydrophobicContact CD1-CZ 4.13Å; F516-F518 AromaticContact CE1-CD1 3.57Å; F516-F518 HydrophobicContact CE1-CD1 3.57Å; F516-F518 HydrophobicContact CE1-CD2 4.23Å; F516-F518 AromaticContact CE1-CE1 3.46Å; F516-F518 HydrophobicContact CE1-CE1 3.46Å; F516-F518 VanDerWaalsContact CE1-CE1 3.46Å; F516-F518 HydrophobicContact CE1-CE2 4.16Å; F516-F518 AromaticContact CE1-CG 3.95Å; F516-F518 HydrophobicContact CE1-CG 3.95Å; F516-F518 AromaticContact CE1-CZ 3.77Å; F516-F518 HydrophobicContact CE1-CZ 3.77Å; F516-F518 AromaticContact CZ-CD1 3.45Å; F516-F518 HydrophobicContact CZ-CD1 3.45Å; F516-F518 VanDerWaalsContact CZ-CD1 3.45Å; F516-F518 AromaticContact CZ-CE1 3.65Å; F516-F518 HydrophobicContact CZ-CE1 3.65Å; F516-F518 HydrophobicContact CZ-CG 4.06Å; F516-F518 HydrophobicContact CZ-CZ 4.42Å |
| 519 | K | 98.1 | Very high | 95 | Very high | 152 Ų | 152 | 73.2 Ų | 73.2 | 66% | 0.661 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -85 | 152.8 | 162.6 | -63.5 | -179.2 | -177.7 | 178.3 | 0 | 108.7 | L393 Q396 | L393-K519 WeakPolarHBondContact CD2-O 3.41Å; Q396-K519 PolarHBondContact NE2-O 3.25Å; Q396-K519 PolarHBondContact OE1-O 3.14Å |
| 520 | P | 98 | Very high | 95.2 | Very high | 63 Ų | 63 | 71 Ų | 71 | 41% | 0.409 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 140.1 | 174.4 | -27.6 | 34.6 | 0 | 0 | 0 | 112.3 | ||
| 521 | P | 97.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.039 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 148 | -177.6 | 27.8 | -37.2 | 0 | 0 | 0 | 111.9 | W234 R389 S392 L393 E488 | W234-P521 HydrophobicContact CE3-CG 4.42Å; R389-P521 HydrophobicContact CB-CB 4.18Å; R389-P521 PolarHBondContact NH1-O 3.35Å; R389-P521 VanDerWaalsContact NH2-CG 3.34Å; S392-P521 WeakPolarHBondContact OG-CA 3.45Å; L393-P521 HydrophobicContact CD1-CB 4.23Å; L393-P521 HydrophobicContact CD2-CB 4.15Å; L393-P521 HydrophobicContact CG-CB 3.99Å; E488-P521 HydrophobicContact CB-CB 4.04Å; E488-P521 HydrophobicContact CB-CG 3.85Å; E488-P521 HydrophobicContact CG-CG 3.93Å |
| 522 | T | 96.9 | Very high | 96.1 | Very high | 96 Ų | 96 | 69 Ų | 69 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | trans | -128.2 | 153.9 | 176.5 | 54.2 | 0 | 0 | 0 | 0 | 109.6 | R389 S392 | R389-T522 WeakPolarHBondContact CA-O 3.42Å; S392-T522 WeakPolarHBondContact CB-O 3.19Å; S392-T522 PolarHBondContact OG-N 3.45Å; S392-T522 PolarHBondContact OG-O 3.25Å | ||
| 523 | G | 94.4 | Very high | 96.4 | Very high | 34 Ų | 34 | 67.3 Ų | 67.3 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | trans | 175.3 | 141.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 524 | D | 95.4 | Very high | 96.6 | Very high | 85 Ų | 85 | 66.5 Ų | 66.5 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | trans | -68.4 | 141.5 | 175 | -57.9 | -41.7 | 0 | 0 | 0 | 109.7 | Y384 L526 | Y384-D524 WeakPolarHBondContact CD1-O 3.46Å; Y384-D524 HydrophobicContact CE1-CB 4.2Å; D524-L526 VanDerWaalsContact C-N 3.26Å; D524-L526 WeakPolarHBondContact CB-O 3.13Å; D524-L526 PolarHBondContact O-N 3.25Å | ||
| 525 | T | 95.2 | Very high | 96.7 | Very high | 49 Ų | 49 | 71 Ų | 71 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -70.2 | -27.4 | 178.8 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | E385 | E385-T525 HydrophobicContact CG-CG2 4.32Š|
| 526 | L | 98.1 | Very high | 96.6 | Very high | 39 Ų | 39 | 71.5 Ų | 71.5 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -138.2 | 149.6 | -178.5 | -67.5 | 172.2 | 0 | 0 | 0 | 109.5 | D298 Y299 A302 D524 M528 F531 | D298-L526 HydrophobicContact CB-CD1 4.21Å; Y299-L526 HydrophobicContact CD2-CD2 3.85Å; Y299-L526 HydrophobicContact CE2-CD2 4.4Å; A302-L526 HydrophobicContact CB-CD1 3.92Å; A302-L526 HydrophobicContact CB-CD2 4.11Å; A302-L526 HydrophobicContact CB-CG 4.49Å; D524-L526 VanDerWaalsContact C-N 3.26Å; D524-L526 WeakPolarHBondContact CB-O 3.13Å; D524-L526 PolarHBondContact O-N 3.25Å; L526-M528 PolarHBondContact O-N 3.17Å; L526-F531 HydrophobicContact CD2-CE2 4.1Å; L526-F531 HydrophobicContact CD2-CZ 4.11Å |
| 527 | P | 97.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | trans | -69 | 122.2 | 178.4 | 28.7 | -35.4 | 0 | 0 | 0 | 111 | Y384 T420 K529 G530 F531 | Y384-P527 HydrophobicContact CD2-CB 4.1Å; Y384-P527 HydrophobicContact CE1-CB 4.38Å; Y384-P527 HydrophobicContact CE2-CB 3.88Å; Y384-P527 HydrophobicContact CG-CB 4.43Å; T420-P527 HydrophobicContact CG2-CB 3.71Å; T420-P527 HydrophobicContact CG2-CG 3.93Å; P527-K529 PolarHBondContact O-N 2.91Å; P527-K529 VanDerWaalsContact O-N 3.13Å; P527-G530 WeakPolarHBondContact CG-O 3.49Å; P527-G530 PolarHBondContact O-N 3.35Å; P527-F531 VanDerWaalsContact CD-CZ 3.48Å; P527-F531 HydrophobicContact CG-CD1 3.77Å; P527-F531 HydrophobicContact CG-CD2 3.97Å; P527-F531 HydrophobicContact CG-CE1 3.76Å; P527-F531 HydrophobicContact CG-CE2 3.98Å; P527-F531 HydrophobicContact CG-CG 3.86Å; P527-F531 HydrophobicContact CG-CZ 3.87Å | ||
| 528 | M | 94.5 | Very high | 96.7 | Very high | 170 Ų | 170 | 67.4 Ų | 67.4 | 84% | 0.837 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31 | 180 | -73.7 | -176.2 | 70.9 | 0 | 0 | 114 | L526 G530 | L526-M528 PolarHBondContact O-N 3.17Å; M528-G530 VanDerWaalsContact C-N 3.3Å |
| 529 | K | 95.6 | Very high | 96.6 | Very high | 163 Ų | 163 | 69.6 Ų | 69.6 | 71% | 0.709 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 8.4 | 179.4 | -59.7 | 176.5 | -176 | 169.8 | 0 | 113.1 | P527 | P527-K529 PolarHBondContact O-N 2.91Å; P527-K529 VanDerWaalsContact O-N 3.13Å |
| 530 | G | 97.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 66.2 Ų | 66.2 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | trans | 75.5 | 173.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R423 P527 M528 | R423-G530 VanDerWaalsContact CZ-O 3.31Å; R423-G530 PolarHBondContact NH1-O 2.86Å; R423-G530 PolarHBondContact NH2-O 3.19Å; P527-G530 WeakPolarHBondContact CG-O 3.49Å; P527-G530 PolarHBondContact O-N 3.35Å; M528-G530 VanDerWaalsContact C-N 3.3Å | ||
| 531 | F | 98.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 65.4 Ų | 65.4 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | trans | -81.5 | 137.7 | 178 | -73.5 | -78.6 | 0 | 0 | 0 | 111.8 | A302 T303 Q416 I417 T420 L526 P527 | A302-F531 HydrophobicContact CB-CD2 4.41Å; A302-F531 HydrophobicContact CB-CE2 4.05Å; A302-F531 WeakPolarHBondContact O-CD2 3.37Å; T303-F531 HydrophobicContact CG2-CD2 4.35Å; T303-F531 HydrophobicContact CG2-CE2 4.12Å; Q416-F531 HydrophobicContact CG-CB 3.78Å; Q416-F531 HydrophobicContact CG-CD1 3.86Å; Q416-F531 HydrophobicContact CG-CG 4.06Å; I417-F531 HydrophobicContact CD1-CD1 4.36Å; I417-F531 HydrophobicContact CD1-CE1 3.71Å; T420-F531 HydrophobicContact CG2-CD1 4.1Å; L526-F531 HydrophobicContact CD2-CE2 4.1Å; L526-F531 HydrophobicContact CD2-CZ 4.11Å; P527-F531 VanDerWaalsContact CD-CZ 3.48Å; P527-F531 HydrophobicContact CG-CD1 3.77Å; P527-F531 HydrophobicContact CG-CD2 3.97Å; P527-F531 HydrophobicContact CG-CE1 3.76Å; P527-F531 HydrophobicContact CG-CE2 3.98Å; P527-F531 HydrophobicContact CG-CG 3.86Å; P527-F531 HydrophobicContact CG-CZ 3.87Å | ||
| 532 | D | 98.3 | Very high | 95.7 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | trans | -83.6 | 121 | 164.6 | -170 | -35.7 | 0 | 0 | 0 | 108.2 | Q416 A419 T420 G534 | Q416-D532 VanDerWaalsContact CA-O 3.29Å; Q416-D532 WeakPolarHBondContact CA-O 3.36Å; Q416-D532 WeakPolarHBondContact CG-O 3.29Å; Q416-D532 VanDerWaalsContact O-O 3.09Å; A419-D532 HydrophobicContact CB-CB 3.99Å; T420-D532 PolarHBondContact OG1-N 3.04Å; T420-D532 PolarHBondContact OG1-O 2.83Å; D532-G534 PolarHBondContact O-N 3.03Å; D532-G534 PolarHBondContact OD1-N 2.78Å | ||
| 533 | P | 95.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 68.7 Ų | 68.7 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | trans | -67.3 | -18.1 | -179.8 | 29.4 | -35.8 | 0 | 0 | 0 | 113.4 | ||||
| 534 | G | 97.2 | Very high | 95.1 | Very high | 31 Ų | 31 | 71.9 Ų | 71.9 | 32% | 0.32 | 40% | 0.399 | S | S | . | . | trans | 66 | -147.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | E415 D532 | E415-G534 WeakPolarHBondContact OE1-CA 3.35Å; D532-G534 PolarHBondContact O-N 3.03Å; D532-G534 PolarHBondContact OD1-N 2.78Å | ||
| 535 | Q | 95.2 | Very high | 94.9 | Very high | 133 Ų | 133 | 69.6 Ų | 69.6 | 62% | 0.621 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -70.1 | 136.5 | 178.2 | -62 | -177.6 | 3.7 | 0 | 0 | 112 | E415 T537 | E415-Q535 HydrophobicContact CG-CB 4.2Å; E415-Q535 PolarHBondContact OE1-N 2.93Å; Q535-T537 HydrophobicContact CB-CG2 4.36Å; Q535-T537 PolarHBondContact O-N 3.37Å; Q535-T537 VanDerWaalsContact O-N 3.07Å |
| 536 | D | 94.5 | Very high | 94.6 | Very high | 141 Ų | 141 | 71.8 Ų | 71.8 | 75% | 0.754 | 41% | 0.405 | S | S | * | . | trans | -71.4 | 106.3 | 171.4 | -172.3 | 8.4 | 0 | 0 | 0 | 110.5 | Y538 | D536-Y538 PolarHBondContact OD1-N 3.18Š| ||
| 537 | T | 95.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 78.7 Ų | 78.7 | 9% | 0.092 | 43% | 0.434 | C | S | . | . | trans | -109.3 | -0.4 | -176.6 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | K160 S163 Q535 | K160-T537 WeakPolarHBondContact CB-O 3.33Å; K160-T537 VanDerWaalsContact CG-O 3.31Å; K160-T537 WeakPolarHBondContact CG-O 3.25Å; K160-T537 PolarHBondContact N-O 3.19Å; S163-T537 WeakPolarHBondContact CA-OG1 3.14Å; S163-T537 VanDerWaalsContact CB-OG1 3.24Å; S163-T537 WeakPolarHBondContact CB-OG1 3.44Å; Q535-T537 HydrophobicContact CB-CG2 4.36Å; Q535-T537 PolarHBondContact O-N 3.37Å; Q535-T537 VanDerWaalsContact O-N 3.07Å | ||
| 538 | Y | 98.2 | Very high | 94 | Very high | 23 Ų | 23 | 80 Ų | 80 | 9% | 0.09 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 136.2 | 180 | -176.5 | -107.8 | 0 | 0 | 0 | 111 | F31 G157 W159 D536 P540 | F31-Y538 HydrophobicContact CB-CE1 4.15Å; F31-Y538 AromaticContact CD1-CD1 3.45Å; F31-Y538 HydrophobicContact CD1-CD1 3.45Å; F31-Y538 VanDerWaalsContact CD1-CD1 3.45Å; F31-Y538 HydrophobicContact CD1-CD2 4.45Å; F31-Y538 AromaticContact CD1-CE1 3.34Å; F31-Y538 HydrophobicContact CD1-CE1 3.34Å; F31-Y538 HydrophobicContact CD1-CE2 4.37Å; F31-Y538 HydrophobicContact CD1-CG 4.02Å; F31-Y538 AromaticContact CD1-CZ 3.84Å; F31-Y538 AromaticContact CE1-CD1 3.54Å; F31-Y538 HydrophobicContact CE1-CD1 3.54Å; F31-Y538 HydrophobicContact CE1-CD2 4.31Å; F31-Y538 AromaticContact CE1-CE1 3.94Å; F31-Y538 HydrophobicContact CE1-CE1 3.94Å; F31-Y538 AromaticContact CE1-CG 3.73Å; F31-Y538 HydrophobicContact CE1-CG 3.73Å; F31-Y538 HydrophobicContact CG-CD1 4.45Å; F31-Y538 HydrophobicContact CG-CE1 4.02Å; F31-Y538 HydrophobicContact CZ-CG 4.41Å; G157-Y538 WeakPolarHBondContact CA-OH 3.18Å; W159-Y538 AromaticContact CD1-CD2 3.95Å; W159-Y538 AromaticContact CD2-CD2 3.83Å; W159-Y538 HydrophobicContact CD2-CD2 3.83Å; W159-Y538 AromaticContact CE2-CD2 3.54Å; W159-Y538 HydrophobicContact CE3-CD2 4.42Å; W159-Y538 HydrophobicContact CG-CD2 4.11Å; W159-Y538 AromaticContact CZ2-CD2 3.98Å; W159-Y538 HydrophobicContact CZ2-CD2 3.98Å; W159-Y538 HydrophobicContact CZ2-CG 4.47Å; W159-Y538 AromaticContact NE1-CD2 3.57Å; W159-Y538 AromaticContact NE1-CE2 3.8Å; D536-Y538 PolarHBondContact OD1-N 3.18Å; Y538-P540 HydrophobicContact CD1-CB 4.45Å; Y538-P540 VanDerWaalsContact CE1-CA 3.48Å; Y538-P540 HydrophobicContact CE1-CB 3.82Å |
| 539 | Q | 97.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 76.3 Ų | 76.3 | 25% | 0.252 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 113.3 | 168.5 | 175 | -175.3 | -35 | 0 | 0 | 108 | F158 | F158-Q539 HydrophobicContact CB-CB 4.16Å; F158-Q539 HydrophobicContact CD1-CB 4.18Å; F158-Q539 PolarHBondContact N-O 2.88Å; F158-Q539 PolarHBondContact O-N 3.19Å |
| 540 | P | 95.4 | Very high | 93.6 | Very high | 80 Ų | 80 | 69.8 Ų | 69.8 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -68 | 153.5 | 176.1 | 28.4 | -33.8 | 0 | 0 | 0 | 111.1 | Y538 | Y538-P540 HydrophobicContact CD1-CB 4.45Å; Y538-P540 VanDerWaalsContact CE1-CA 3.48Å; Y538-P540 HydrophobicContact CE1-CB 3.82Å |
| 541 | P | 88.9 | Confident | 93.1 | Very high | 46 Ų | 46 | 76.2 Ų | 76.2 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 154 | 168.8 | 28 | -33.2 | 0 | 0 | 0 | 110.9 | ||
| 542 | V | 89.7 | Confident | 92.9 | Very high | 53 Ų | 53 | 76 Ų | 76 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 145.7 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | A152 D544 T545 I548 | A152-V542 HydrophobicContact CB-CG2 4.43Å; A152-V542 WeakPolarHBondContact O-CG2 3.34Å; V542-D544 WeakPolarHBondContact CG2-O 3.11Å; V542-T545 HydrophobicContact CG2-CG2 3.88Å; V542-I548 HydrophobicContact CB-CD1 4.48Å; V542-I548 HydrophobicContact CG1-CD1 4.42Å; V542-I548 HydrophobicContact CG2-CD1 3.3Å; V542-I548 HydrophobicContact CG2-CG1 4.38Å |
| 543 | T | 87.2 | Confident | 92.8 | Very high | 119 Ų | 119 | 77.6 Ų | 77.6 | 73% | 0.73 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -77.2 | -41.3 | 175.7 | -41.3 | 0 | 0 | 0 | 0 | 111.8 | R110 | R110-T543 PolarHBondContact NH2-O 3.29Š|
| 544 | D | 91.5 | Very high | 92.7 | Very high | 100 Ų | 100 | 80 Ų | 80 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | trans | -96.1 | 110.2 | 174.9 | 178.4 | 14.2 | 0 | 0 | 0 | 110.3 | V542 S546 | V542-D544 WeakPolarHBondContact CG2-O 3.11Å; D544-S546 WeakPolarHBondContact OD1-CB 3.46Å; D544-S546 PolarHBondContact OD1-N 3.28Å; D544-S546 PolarHBondContact OD1-OG 3.25Å; D544-S546 PolarHBondContact OD2-OG 3.12Å | ||
| 545 | T | 92.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 82.4 Ų | 82.4 | 23% | 0.233 | 46% | 0.458 | C | S | . | . | trans | -103.4 | 1.9 | -177.8 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | K153 V542 K547 I548 | K153-T545 VanDerWaalsContact O-CG2 3.22Å; K153-T545 WeakPolarHBondContact O-CG2 3.16Å; V542-T545 HydrophobicContact CG2-CG2 3.88Å; T545-K547 PolarHBondContact O-N 3.02Å; T545-K547 VanDerWaalsContact O-N 3.1Å; T545-I548 PolarHBondContact O-N 2.83Å | ||
| 546 | S | 89.1 | Confident | 92.8 | Very high | 94 Ų | 94 | 76.6 Ų | 76.6 | 66% | 0.657 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29 | -173.4 | 62 | 0 | 0 | 0 | 0 | 113.6 | D544 | D544-S546 WeakPolarHBondContact OD1-CB 3.46Å; D544-S546 PolarHBondContact OD1-N 3.28Å; D544-S546 PolarHBondContact OD1-OG 3.25Å; D544-S546 PolarHBondContact OD2-OG 3.12Å |
| 547 | K | 90 | Very high | 93 | Very high | 184 Ų | 184 | 75 Ų | 75 | 80% | 0.8 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -5.1 | 179.3 | -62 | -179.5 | -176.7 | 174.9 | 0 | 114 | T545 | T545-K547 PolarHBondContact O-N 3.02Å; T545-K547 VanDerWaalsContact O-N 3.1Å |
| 548 | I | 91.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 20% | 0.195 | 42% | 0.421 | C | S | . | . | trans | -90.9 | 116.5 | -175.7 | -56.1 | -166.9 | 0 | 0 | 0 | 110.6 | S149 A152 K153 V542 T545 | S149-I548 WeakPolarHBondContact O-CG2 3.49Å; A152-I548 HydrophobicContact CB-CD1 3.53Å; K153-I548 HydrophobicContact CB-CB 4.36Å; K153-I548 HydrophobicContact CB-CG2 3.8Å; V542-I548 HydrophobicContact CB-CD1 4.48Å; V542-I548 HydrophobicContact CG1-CD1 4.42Å; V542-I548 HydrophobicContact CG2-CD1 3.3Å; V542-I548 HydrophobicContact CG2-CG1 4.38Å; T545-I548 PolarHBondContact O-N 2.83Å | ||
| 549 | T | 89.3 | Confident | 93.1 | Very high | 91 Ų | 91 | 74.9 Ų | 74.9 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | trans | -107.9 | 121.9 | 171.4 | -50.5 | 0 | 0 | 0 | 0 | 109.4 | K551 | T549-K551 HydrophobicContact CG2-CD 4.32Å; T549-K551 HydrophobicContact CG2-CG 3.6Å | ||
| 550 | V | 92.8 | Very high | 93.1 | Very high | 26 Ų | 26 | 75.6 Ų | 75.6 | 16% | 0.158 | 42% | 0.421 | C | S | . | . | trans | -89 | 111.4 | 168.4 | -178.6 | 0 | 0 | 0 | 0 | 106.3 | I104 F146 A150 K153 Y154 | I104-V550 HydrophobicContact CD1-CG1 4.09Å; F146-V550 HydrophobicContact CD2-CG1 3.82Å; F146-V550 HydrophobicContact CE2-CG1 3.74Å; A150-V550 VanDerWaalsContact CA-CG2 3.48Å; A150-V550 HydrophobicContact CB-CG1 4.04Å; A150-V550 HydrophobicContact CB-CG2 4.09Å; K153-V550 HydrophobicContact CB-CG2 3.81Å; K153-V550 HydrophobicContact CD-CB 4.39Å; K153-V550 HydrophobicContact CD-CG2 3.54Å; K153-V550 HydrophobicContact CG-CG2 4.28Å; Y154-V550 HydrophobicContact CE2-CG2 4.24Å | ||
| 551 | K | 87.4 | Confident | 93.1 | Very high | 164 Ų | 164 | 76.4 Ų | 76.4 | 71% | 0.713 | 42% | 0.42 | S | S | * | . | trans | -108.3 | 135 | 179.4 | -65 | -171.2 | 179.4 | -179.5 | 0 | 109.4 | T549 | T549-K551 HydrophobicContact CG2-CD 4.32Å; T549-K551 HydrophobicContact CG2-CG 3.6Å | ||
| 552 | V | 94.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 75.7 Ų | 75.7 | 14% | 0.139 | 41% | 0.414 | C | S | . | . | trans | -116 | 115.4 | 166.6 | 176.9 | 0 | 0 | 0 | 0 | 105.4 | L101 F146 P554 L559 L561 | L101-V552 HydrophobicContact CD2-CG2 4.19Å; F146-V552 HydrophobicContact CD2-CG2 4.03Å; F146-V552 HydrophobicContact CE2-CG2 3.95Å; V552-P554 WeakPolarHBondContact O-CD 3.44Å; V552-L559 HydrophobicContact CG1-CB 3.78Å; V552-L561 HydrophobicContact CB-CD2 4.24Å; V552-L561 HydrophobicContact CB-CG 4.12Å; V552-L561 HydrophobicContact CG1-CG 4.31Å; V552-L561 HydrophobicContact CG2-CD2 4.01Å; V552-L561 HydrophobicContact CG2-CG 4.44Å | ||
| 553 | D | 95.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 77.9 Ų | 77.9 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | trans | -63.6 | 122.8 | 178.1 | -175.9 | -26.4 | 0 | 0 | 0 | 108.9 | S555 S556 | D553-S555 VanDerWaalsContact CG-OG 3.29Å; D553-S555 PolarHBondContact O-N 3.33Å; D553-S555 VanDerWaalsContact O-N 3.11Å; D553-S555 WeakPolarHBondContact OD1-CB 3.35Å; D553-S555 PolarHBondContact OD1-N 3.33Å; D553-S555 PolarHBondContact OD1-OG 2.81Å; D553-S555 PolarHBondContact OD2-OG 2.87Å; D553-S556 WeakPolarHBondContact O-CB 3.46Å; D553-S556 PolarHBondContact O-N 2.8Å | ||
| 554 | P | 94.5 | Very high | 93.8 | Very high | 137 Ų | 137 | 76.1 Ų | 76.1 | 89% | 0.89 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.8 | 178.3 | -24.4 | 34.7 | 0 | 0 | 0 | 114.7 | V552 | V552-P554 WeakPolarHBondContact O-CD 3.44Š|
| 555 | S | 96.6 | Very high | 94 | Very high | 83 Ų | 83 | 72.8 Ų | 72.8 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -4.2 | 177 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | D553 Q557 | D553-S555 VanDerWaalsContact CG-OG 3.29Å; D553-S555 PolarHBondContact O-N 3.33Å; D553-S555 VanDerWaalsContact O-N 3.11Å; D553-S555 WeakPolarHBondContact OD1-CB 3.35Å; D553-S555 PolarHBondContact OD1-N 3.33Å; D553-S555 PolarHBondContact OD1-OG 2.81Å; D553-S555 PolarHBondContact OD2-OG 2.87Å; S555-Q557 PolarHBondContact O-NE2 2.86Å |
| 556 | S | 97.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 78.8 Ų | 78.8 | 7% | 0.07 | 43% | 0.426 | C | S | . | . | trans | -55.1 | 140.5 | -179.9 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | E142 D553 R558 L559 H603 | E142-S556 WeakPolarHBondContact OE1-CB 3.01Å; E142-S556 PolarHBondContact OE1-OG 2.79Å; D553-S556 WeakPolarHBondContact O-CB 3.46Å; D553-S556 PolarHBondContact O-N 2.8Å; S556-R558 PolarHBondContact OG-N 3.32Å; S556-L559 VanDerWaalsContact CB-O 3.32Å; S556-L559 WeakPolarHBondContact CB-O 3.5Å; S556-L559 PolarHBondContact OG-N 3.34Å; S556-L559 PolarHBondContact OG-O 2.88Å; S556-H603 PolarHBondContact O-CD2 2.93Å; S556-H603 VanDerWaalsContact O-CD2 3.27Å; S556-H603 PolarHBondContact O-NE2 3.37Å | ||
| 557 | Q | 97.7 | Very high | 94.5 | Very high | 108 Ų | 108 | 80.3 Ų | 80.3 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -95.1 | -6.6 | 170.3 | -61.2 | -55.5 | -54.6 | 0 | 0 | 112.6 | S555 Y600 N606 | S555-Q557 PolarHBondContact O-NE2 2.86Å; Q557-Y600 WeakPolarHBondContact O-CD1 3.32Å; Q557-N606 PolarHBondContact O-ND2 3.36Å; Q557-N606 VanDerWaalsContact O-ND2 3.1Å; Q557-N606 PolarHBondContact OE1-ND2 3.23Å |
| 558 | R | 97.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 73.8 Ų | 73.8 | 12% | 0.121 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -103.8 | -37.1 | -175.1 | -58.8 | -62.7 | -59.5 | -92.3 | 1.3 | 112.5 | T139 N140 E142 V143 S556 K599 G602 H603 | T139-R558 PolarHBondContact O-NH1 3.08Å; N140-R558 PolarHBondContact OD1-NH1 3.02Å; N140-R558 PolarHBondContact OD1-NH2 2.7Å; E142-R558 WeakPolarHBondContact OE2-CB 3.34Å; E142-R558 WeakPolarHBondContact OE2-CG 3.34Å; V143-R558 HydrophobicContact CG2-CB 4.14Å; S556-R558 PolarHBondContact OG-N 3.32Å; R558-K599 WeakPolarHBondContact CD-O 3.39Å; R558-K599 PolarHBondContact NE-O 3.09Å; R558-G602 CarbonylContact O-C 3.46Å; R558-G602 VanDerWaalsContact O-C 3.23Å; R558-G602 WeakPolarHBondContact O-CA 3.39Å; R558-H603 PolarHBondContact O-N 3.11Å |
| 559 | L | 98 | Very high | 95.1 | Very high | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.016 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -127.8 | 139.3 | -174.1 | -63.8 | 167 | 0 | 0 | 0 | 109.8 | Q97 E142 F146 V552 S556 G602 | Q97-L559 HydrophobicContact CG-CD2 4.34Å; E142-L559 HydrophobicContact CG-CD1 4.08Å; F146-L559 HydrophobicContact CB-CD1 3.44Å; F146-L559 VanDerWaalsContact CB-CD1 3.44Å; F146-L559 HydrophobicContact CB-CD2 4.47Å; F146-L559 HydrophobicContact CD1-CD1 4.24Å; F146-L559 HydrophobicContact CD1-CD2 3.74Å; F146-L559 HydrophobicContact CD2-CD1 4.23Å; F146-L559 HydrophobicContact CE1-CD2 4.17Å; F146-L559 HydrophobicContact CG-CD1 3.7Å; F146-L559 HydrophobicContact CG-CD2 4.03Å; V552-L559 HydrophobicContact CG1-CB 3.78Å; S556-L559 VanDerWaalsContact CB-O 3.32Å; S556-L559 WeakPolarHBondContact CB-O 3.5Å; S556-L559 PolarHBondContact OG-N 3.34Å; S556-L559 PolarHBondContact OG-O 2.88Å; L559-G602 CarbonylContact C-O 3.51Å; L559-G602 WeakPolarHBondContact CA-O 3.09Å |
| 560 | Q | 97.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 74.8 Ų | 74.8 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | trans | -143.6 | 129.1 | 177.6 | -173.4 | 179.4 | 38.5 | 0 | 0 | 109.6 | L101 G602 H603 | L101-Q560 WeakPolarHBondContact CD1-O 3.43Å; Q560-G602 PolarHBondContact N-O 2.86Å; Q560-H603 HydrophobicContact CB-CB 4.21Å; Q560-H603 VanDerWaalsContact CD-CE1 3.45Å; Q560-H603 PolarHBondContact OE1-CE1 3.02Å; Q560-H603 VanDerWaalsContact OE1-CE1 3.3Å; Q560-H603 PolarHBondContact OE1-ND1 3.19Å | ||
| 561 | L | 95.8 | Very high | 95.7 | Very high | 97 Ų | 97 | 80.2 Ų | 80.2 | 51% | 0.508 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 138.1 | 170 | -69.8 | 177.1 | 0 | 0 | 0 | 110.4 | L101 V552 | L101-L561 HydrophobicContact CD2-CD2 4.01Å; V552-L561 HydrophobicContact CB-CD2 4.24Å; V552-L561 HydrophobicContact CB-CG 4.12Å; V552-L561 HydrophobicContact CG1-CG 4.31Å; V552-L561 HydrophobicContact CG2-CD2 4.01Å; V552-L561 HydrophobicContact CG2-CG 4.44Å |
| 562 | L | 94.5 | Very high | 96.2 | Very high | 31 Ų | 31 | 75.1 Ų | 75.1 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 136.9 | -179.7 | -70.1 | 173.2 | 0 | 0 | 0 | 111.4 | M98 L101 Q102 L604 | M98-L562 HydrophobicContact CE-CD2 4.4Å; M98-L562 HydrophobicContact SD-CD1 3.71Å; M98-L562 HydrophobicContact SD-CD2 3.73Å; M98-L562 HydrophobicContact SD-CG 4.04Å; L101-L562 HydrophobicContact CB-CD1 4.21Å; L101-L562 HydrophobicContact CB-CG 4.33Å; Q102-L562 HydrophobicContact CB-CD1 4.43Å; Q102-L562 HydrophobicContact CG-CD1 3.44Å; Q102-L562 VanDerWaalsContact CG-CD1 3.44Å; L562-L604 HydrophobicContact CD2-CB 4.32Å; L562-L604 HydrophobicContact CD2-CD2 3.99Å |
| 563 | S | 91.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 74.6 Ų | 74.6 | 70% | 0.699 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 136.2 | 166 | -65.1 | 0 | 0 | 0 | 0 | 109.5 | F565 | S563-F565 PolarHBondContact O-N 3.27Š|
| 564 | P | 93.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 74.7 Ų | 74.7 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 134.7 | 176.9 | -26.1 | 34.8 | 0 | 0 | 0 | 111.9 | ||
| 565 | F | 95.9 | Very high | 96.7 | Very high | 31 Ų | 31 | 72.8 Ų | 72.8 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 149.8 | 173.3 | -70.1 | -54.3 | 0 | 0 | 0 | 111.2 | S563 K567 L604 L670 R673 H674 Q696 N767 | S563-F565 PolarHBondContact O-N 3.27Å; F565-K567 PolarHBondContact O-N 2.85Å; F565-L604 HydrophobicContact CE1-CD2 4.47Å; F565-L604 HydrophobicContact CZ-CD2 4.1Å; F565-L670 HydrophobicContact CE2-CD2 3.78Å; F565-L670 HydrophobicContact CZ-CD2 3.94Å; F565-R673 HydrophobicContact CD1-CG 3.84Å; F565-R673 HydrophobicContact CD2-CG 3.83Å; F565-R673 HydrophobicContact CE1-CB 4.38Å; F565-R673 HydrophobicContact CE1-CG 3.77Å; F565-R673 HydrophobicContact CE2-CB 4.4Å; F565-R673 HydrophobicContact CE2-CG 3.75Å; F565-R673 HydrophobicContact CG-CG 3.88Å; F565-R673 HydrophobicContact CZ-CB 4.12Å; F565-R673 HydrophobicContact CZ-CG 3.72Å; F565-H674 HydrophobicContact CE1-CB 4.23Å; F565-Q696 HydrophobicContact CE2-CB 4.41Å; F565-N767 PolarHBondContact O-ND2 2.89Å |
| 566 | K | 95.3 | Very high | 96.8 | Very high | 164 Ų | 164 | 69 Ų | 69 | 71% | 0.713 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 131.5 | 177.3 | -66.1 | -175.9 | 179.6 | -179 | 0 | 110.8 | R673 | K566-R673 PolarHBondContact O-NH2 2.88Š|
| 567 | K | 97.1 | Very high | 96.8 | Very high | 125 Ų | 125 | 69.4 Ų | 69.4 | 54% | 0.543 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 151.8 | 170.4 | -165.5 | 168.9 | -177.8 | 149.3 | 0 | 110.7 | F565 K761 E771 | F565-K567 PolarHBondContact O-N 2.85Å; K567-K761 WeakPolarHBondContact CG-O 3.46Å; K567-E771 IonicContact NZ-OE1 3.55Å; K567-E771 PolarHBondContact NZ-OE1 3.14Å |
| 568 | W | 97.6 | Very high | 96.8 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -65 | 139.4 | 170.6 | 177.4 | 51.5 | 0 | 0 | 0 | 109.9 | G570 K571 L723 K724 F760 K761 | W568-G570 VanDerWaalsContact C-N 3.3Å; W568-G570 VanDerWaalsContact CZ2-CA 3.44Å; W568-G570 WeakPolarHBondContact CZ2-O 3.07Å; W568-G570 PolarHBondContact O-N 2.66Å; W568-K571 PolarHBondContact NE1-O 2.98Å; W568-L723 HydrophobicContact CZ2-CB 3.86Å; W568-K724 HydrophobicContact CH2-CB 4.34Å; W568-F760 HydrophobicContact CB-CZ 4.46Å; W568-F760 AromaticContact CD1-CZ 3.76Å; W568-F760 AromaticContact CD2-CE1 3.7Å; W568-F760 HydrophobicContact CD2-CE1 3.7Å; W568-F760 AromaticContact CD2-CZ 3.93Å; W568-F760 HydrophobicContact CD2-CZ 3.93Å; W568-F760 AromaticContact CE2-CE1 3.95Å; W568-F760 AromaticContact CE2-CZ 3.98Å; W568-F760 HydrophobicContact CE3-CE1 4.03Å; W568-F760 AromaticContact CG-CE1 3.97Å; W568-F760 HydrophobicContact CG-CE1 3.97Å; W568-F760 AromaticContact CG-CZ 3.79Å; W568-F760 HydrophobicContact CG-CZ 3.79Å; W568-F760 HydrophobicContact CZ2-CE1 4.48Å; W568-F760 AromaticContact NE1-CZ 3.87Å; W568-K761 HydrophobicContact CE3-CB 4.35Å; W568-K761 HydrophobicContact CE3-CG 3.85Å; W568-K761 HydrophobicContact CZ3-CG 4.13Å; W568-K761 PolarHBondContact N-O 3.04Å; W568-K761 VanDerWaalsContact N-O 3.14Å |
| 569 | D | 96.2 | Very high | 96.9 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 57% | 0.572 | 33% | 0.333 | S | S | * | . | trans | -87.9 | 3.6 | -173.5 | 64.9 | -9.2 | 0 | 0 | 0 | 113.5 | K571 | D569-K571 VanDerWaalsContact C-N 3.28Å; D569-K571 PolarHBondContact O-N 2.89Å; D569-K571 PolarHBondContact OD1-N 2.75Å; D569-K571 VanDerWaalsContact OD1-N 3.09Å | ||
| 570 | G | 96.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 81.8 | 1.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | W568 | W568-G570 VanDerWaalsContact C-N 3.3Å; W568-G570 VanDerWaalsContact CZ2-CA 3.44Å; W568-G570 WeakPolarHBondContact CZ2-O 3.07Å; W568-G570 PolarHBondContact O-N 2.66Å |
| 571 | K | 97.3 | Very high | 97 | Very high | 140 Ų | 140 | 60.2 Ų | 60.2 | 61% | 0.609 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -105.3 | 159.9 | -175 | -62.3 | 179.1 | -177.7 | 176.2 | 0 | 112.3 | W568 D569 | W568-K571 PolarHBondContact NE1-O 2.98Å; D569-K571 VanDerWaalsContact C-N 3.28Å; D569-K571 PolarHBondContact O-N 2.89Å; D569-K571 PolarHBondContact OD1-N 2.75Å; D569-K571 VanDerWaalsContact OD1-N 3.09Å |
| 572 | D | 98.3 | Very high | 97.1 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | trans | -66.5 | 155.8 | 169.2 | -71.4 | -15.5 | 0 | 0 | 0 | 110.8 | T574 L720 L721 D722 L723 | D572-T574 HydrophobicContact CB-CG2 4.37Å; D572-L720 WeakPolarHBondContact CB-O 3.44Å; D572-L721 HydrophobicContact CB-CD2 4.18Å; D572-L721 WeakPolarHBondContact OD2-CA 3.2Å; D572-D722 VanDerWaalsContact CG-N 3.28Å; D572-D722 PolarHBondContact OD1-N 2.77Å; D572-D722 PolarHBondContact OD2-N 2.79Å; D572-L723 PolarHBondContact OD1-N 3.09Å | ||
| 573 | L | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 97.4 | 177.5 | -65.6 | 170.8 | 0 | 0 | 0 | 108.5 | M576 R678 L699 S719 L720 L723 | L573-M576 HydrophobicContact CB-CE 3.77Å; L573-M576 HydrophobicContact CB-CG 4.39Å; L573-M576 HydrophobicContact CB-SD 3.79Å; L573-M576 HydrophobicContact CD1-CE 4.22Å; L573-M576 HydrophobicContact CD1-SD 4.14Å; L573-M576 HydrophobicContact CD2-SD 4.44Å; L573-M576 HydrophobicContact CG-SD 4.36Å; L573-R678 HydrophobicContact CD1-CB 3.7Å; L573-R678 HydrophobicContact CD1-CG 4.33Å; L573-R678 HydrophobicContact CD2-CB 4.36Å; L573-R678 HydrophobicContact CD2-CG 4.09Å; L573-L699 HydrophobicContact CD1-CD1 3.95Å; L573-S719 CarbonylContact O-C 3.39Å; L573-S719 WeakPolarHBondContact O-CA 3.2Å; L573-L720 HydrophobicContact CB-CB 4.34Å; L573-L720 HydrophobicContact CD1-CD1 4.26Å; L573-L720 PolarHBondContact N-O 3.13Å; L573-L720 VanDerWaalsContact N-O 3.12Å; L573-L720 PolarHBondContact O-N 2.93Å; L573-L723 HydrophobicContact CB-CD1 4.35Å; L573-L723 HydrophobicContact CD1-CD1 3.99Å; L573-L723 HydrophobicContact CG-CD1 3.83Å |
| 574 | T | 98.2 | Very high | 97.4 | Very high | 91 Ų | 91 | 55.7 Ų | 55.7 | 56% | 0.558 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 143.5 | -172.6 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | D572 M576 L721 | D572-T574 HydrophobicContact CB-CG2 4.37Å; T574-M576 PolarHBondContact O-N 3.15Å; T574-M576 VanDerWaalsContact O-N 3.11Å; T574-L721 HydrophobicContact CG2-CD2 4.23Å |
| 575 | E | 97.6 | Very high | 97.4 | Very high | 97 Ų | 97 | 55.5 Ų | 55.5 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 37.8 | 171.1 | -74.5 | -164.7 | 83.7 | 0 | 0 | 114.9 | K717 I718 S719 | E575-K717 HydrophobicContact CB-CB 4.38Å; E575-K717 HydrophobicContact CB-CD 3.82Å; E575-K717 HydrophobicContact CG-CD 4.18Å; E575-K717 WeakPolarHBondContact OE1-CD 3.3Å; E575-K717 IonicContact OE1-NZ 3.58Å; E575-K717 PolarHBondContact OE1-NZ 2.62Å; E575-I718 PolarHBondContact N-O 2.87Å; E575-S719 PolarHBondContact N-OG 3.29Å |
| 576 | M | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 130 | 175.5 | -65.7 | -173.9 | -67.8 | 0 | 0 | 110.3 | L573 T574 N650 C652 R678 A679 K717 I718 L720 | L573-M576 HydrophobicContact CB-CE 3.77Å; L573-M576 HydrophobicContact CB-CG 4.39Å; L573-M576 HydrophobicContact CB-SD 3.79Å; L573-M576 HydrophobicContact CD1-CE 4.22Å; L573-M576 HydrophobicContact CD1-SD 4.14Å; L573-M576 HydrophobicContact CD2-SD 4.44Å; L573-M576 HydrophobicContact CG-SD 4.36Å; T574-M576 PolarHBondContact O-N 3.15Å; T574-M576 VanDerWaalsContact O-N 3.11Å; M576-N650 WeakPolarHBondContact CB-O 3.4Å; M576-N650 HydrophobicContact CG-CB 4.13Å; M576-N650 WeakPolarHBondContact CG-O 3.32Å; M576-N650 HydrophobicContact SD-CB 4.14Å; M576-C652 HydrophobicContact CE-CB 4.13Å; M576-R678 HydrophobicContact SD-CB 3.98Å; M576-R678 HydrophobicContact SD-CG 4.37Å; M576-A679 HydrophobicContact CE-CB 4.47Å; M576-K717 CarbonylContact O-C 3.59Å; M576-K717 WeakPolarHBondContact O-CA 3.37Å; M576-I718 PolarHBondContact N-O 3.36Å; M576-I718 PolarHBondContact O-N 2.93Å; M576-L720 HydrophobicContact CE-CD1 3.92Å; M576-L720 HydrophobicContact CE-CG 3.99Å |
| 577 | P | 98.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 147.8 | 166.5 | 27.2 | -36.1 | 0 | 0 | 0 | 111.1 | L579 Y644 I649 N650 W651 C652 | P577-L579 PolarHBondContact O-N 3.49Å; P577-Y644 HydrophobicContact CB-CE2 4.45Å; P577-Y644 HydrophobicContact CG-CD1 4.45Å; P577-Y644 HydrophobicContact CG-CE1 4.1Å; P577-Y644 HydrophobicContact CG-CE2 4.19Å; P577-I649 HydrophobicContact CG-CG2 3.57Å; P577-N650 WeakPolarHBondContact CD-O 3.38Å; P577-W651 HydrophobicContact CG-CB 4.28Å; P577-W651 WeakPolarHBondContact O-CA 3.41Å; P577-W651 WeakPolarHBondContact O-CB 3.33Å; P577-C652 PolarHBondContact O-N 3.1Å; P577-C652 VanDerWaalsContact O-N 3.12Å |
| 578 | I | 98.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 115.6 | 167.5 | -61.5 | 164.2 | 0 | 0 | 0 | 107.6 | I580 K581 I654 I712 K713 D716 I718 | I578-I580 WeakPolarHBondContact CG2-O 3.34Å; I578-K581 HydrophobicContact CG2-CB 4.32Å; I578-I654 HydrophobicContact CD1-CG1 3.95Å; I578-I654 HydrophobicContact CG1-CG1 4.1Å; I578-I654 HydrophobicContact CG2-CG1 4Å; I578-I712 HydrophobicContact CD1-CG2 3.34Å; I578-K713 WeakPolarHBondContact CD1-O 3.02Å; I578-D716 HydrophobicContact CD1-CB 4.34Å; I578-I718 HydrophobicContact CD1-CD1 4.35Å; I578-I718 HydrophobicContact CD1-CG1 4.1Å; I578-I718 HydrophobicContact CG1-CG1 3.92Å |
| 579 | L | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -45.2 | 176.7 | 174.5 | 64.7 | 0 | 0 | 0 | 110.8 | P577 L611 F612 V637 V640 A641 Y644 W651 C652 | P577-L579 PolarHBondContact O-N 3.49Å; L579-L611 HydrophobicContact CD2-CD2 4.48Å; L579-F612 HydrophobicContact CD2-CD2 4.36Å; L579-V637 HydrophobicContact CD1-CG1 4.21Å; L579-V637 HydrophobicContact CD2-CG1 3.8Å; L579-V637 HydrophobicContact CG-CG1 3.94Å; L579-V640 HydrophobicContact CD1-CB 4.1Å; L579-V640 HydrophobicContact CD1-CG1 3.77Å; L579-A641 HydrophobicContact CD1-CB 4.11Å; L579-A641 HydrophobicContact CD2-CB 3.87Å; L579-Y644 HydrophobicContact CD1-CD2 4.22Å; L579-Y644 HydrophobicContact CD1-CE2 4.15Å; L579-W651 HydrophobicContact CB-CB 4.33Å; L579-W651 HydrophobicContact CB-CD2 3.94Å; L579-W651 HydrophobicContact CB-CE3 3.79Å; L579-W651 HydrophobicContact CB-CG 4.2Å; L579-W651 HydrophobicContact CB-CZ3 4.42Å; L579-W651 HydrophobicContact CD2-CD2 3.9Å; L579-W651 HydrophobicContact CD2-CE3 3.85Å; L579-W651 HydrophobicContact CD2-CH2 3.73Å; L579-W651 HydrophobicContact CD2-CZ2 3.79Å; L579-W651 HydrophobicContact CD2-CZ3 3.8Å; L579-W651 HydrophobicContact CG-CD2 4.48Å; L579-W651 HydrophobicContact CG-CE3 4.48Å; L579-C652 PolarHBondContact N-O 3.28Å |
| 580 | I | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 137.6 | 177 | -173.3 | 169.6 | 0 | 0 | 0 | 109.4 | I578 I582 F612 A615 N617 V626 V637 V653 I654 | I578-I580 WeakPolarHBondContact CG2-O 3.34Å; I580-I582 HydrophobicContact CB-CG1 4.43Å; I580-I582 HydrophobicContact CD1-CG1 4.01Å; I580-I582 HydrophobicContact CG1-CG1 3.86Å; I580-I582 HydrophobicContact CG2-CD1 4.02Å; I580-I582 HydrophobicContact CG2-CG1 3.89Å; I580-F612 HydrophobicContact CG2-CD2 4.23Å; I580-F612 HydrophobicContact CG2-CG 4.42Å; I580-A615 HydrophobicContact CD1-CB 4.08Å; I580-N617 HydrophobicContact CD1-CB 3.99Å; I580-N617 HydrophobicContact CG1-CB 4.11Å; I580-V626 HydrophobicContact CB-CG1 3.98Å; I580-V626 HydrophobicContact CD1-CG1 4.06Å; I580-V626 HydrophobicContact CG1-CG1 3.98Å; I580-V637 HydrophobicContact CD1-CG2 4.33Å; I580-V653 HydrophobicContact CG2-CG1 4.16Å; I580-V653 HydrophobicContact CG2-CG2 3.91Å; I580-I654 PolarHBondContact O-N 3.14Å |
| 581 | K | 98.7 | Very high | 97.1 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 2% | 0.022 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.7 | 163.7 | 179.9 | 161.4 | 176.4 | -135.5 | 0 | 107.7 | I578 E618 I654 Y709 I712 P714 | I578-K581 HydrophobicContact CG2-CB 4.32Å; K581-E618 HydrophobicContact CB-CB 4.43Å; K581-E618 WeakPolarHBondContact CD-OE2 3.44Å; K581-E618 WeakPolarHBondContact CE-OE1 3.45Å; K581-E618 WeakPolarHBondContact CE-OE2 3.28Å; K581-E618 HydrophobicContact CG-CB 4.23Å; K581-E618 WeakPolarHBondContact CG-OE2 3.36Å; K581-E618 VanDerWaalsContact NZ-CD 3.27Å; K581-E618 IonicContact NZ-OE1 2.66Å; K581-E618 PolarHBondContact NZ-OE1 2.88Å; K581-E618 IonicContact NZ-OE2 2.75Å; K581-E618 PolarHBondContact NZ-OE2 3.12Å; K581-E618 WeakPolarHBondContact O-CB 3.42Å; K581-E618 PolarHBondContact O-N 3.48Å; K581-I654 CarbonylContact C-O 3.56Å; K581-I654 WeakPolarHBondContact CA-O 3.34Å; K581-I654 HydrophobicContact CB-CB 4.2Å; K581-I654 HydrophobicContact CD-CB 4.28Å; K581-I654 HydrophobicContact CD-CG2 4.09Å; K581-I654 HydrophobicContact CG-CB 3.94Å; K581-I654 HydrophobicContact CG-CG2 4.02Å; K581-Y709 VanDerWaalsContact CE-O 3.32Å; K581-Y709 WeakPolarHBondContact CE-O 3.41Å; K581-Y709 WeakPolarHBondContact CE-OH 3.12Å; K581-Y709 HydrophobicContact CG-CE2 4.28Å; K581-Y709 PolarHBondContact NZ-O 3.02Å; K581-Y709 VanDerWaalsContact NZ-O 3.13Å; K581-I712 WeakPolarHBondContact CD-O 3.46Å; K581-I712 VanDerWaalsContact CE-O 3.28Å; K581-I712 WeakPolarHBondContact CE-O 3.5Å; K581-I712 PolarHBondContact NZ-O 3.42Å; K581-P714 HydrophobicContact CB-CG 4.3Å |
| 582 | I | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 125.5 | -167.5 | -61.6 | 166.9 | 0 | 0 | 0 | 109.7 | I580 C586 F612 A615 V616 V653 I654 Y659 Y709 | I580-I582 HydrophobicContact CB-CG1 4.43Å; I580-I582 HydrophobicContact CD1-CG1 4.01Å; I580-I582 HydrophobicContact CG1-CG1 3.86Å; I580-I582 HydrophobicContact CG2-CD1 4.02Å; I580-I582 HydrophobicContact CG2-CG1 3.89Å; I582-C586 HydrophobicContact CG2-CB 3.87Å; I582-F612 HydrophobicContact CD1-CD1 4.14Å; I582-F612 HydrophobicContact CD1-CE1 4.11Å; I582-A615 HydrophobicContact CD1-CB 4.04Å; I582-A615 HydrophobicContact CG1-CB 4.09Å; I582-A615 HydrophobicContact CG2-CB 4.29Å; I582-V616 WeakPolarHBondContact CA-O 3.16Å; I582-V653 HydrophobicContact CD1-CG1 3.64Å; I582-V653 HydrophobicContact CG1-CG1 4.33Å; I582-I654 PolarHBondContact N-O 3.4Å; I582-Y659 HydrophobicContact CD1-CE2 3.75Å; I582-Y709 PolarHBondContact O-OH 3.03Å |
| 583 | K | 96.4 | Very high | 96.8 | Very high | 106 Ų | 106 | 25.5 Ų | 25.5 | 46% | 0.461 | 14% | 0.136 | S | C | . | . | trans | -90.5 | 122.3 | 177.6 | -177 | 177.7 | 176.3 | 175.7 | 0 | 110.9 | V616 E618 N621 | K583-V616 HydrophobicContact CB-CG1 4.45Å; K583-V616 PolarHBondContact N-O 2.85Å; K583-E618 HydrophobicContact CB-CB 4.24Å; K583-N621 WeakPolarHBondContact CD-OD1 3.46Å; K583-N621 PolarHBondContact NZ-OD1 3.23Å | ||
| 584 | G | 95.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 27% | 0.268 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 70.3 | -149.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C586 D656 | G584-C586 PolarHBondContact O-N 3.35Å; G584-D656 WeakPolarHBondContact CA-OD2 3.31Å; G584-D656 PolarHBondContact N-OD2 3.46Å; G584-D656 WeakPolarHBondContact O-CB 3.38Å |
| 585 | K | 94.1 | Very high | 96 | Very high | 77 Ų | 77 | 21.5 Ų | 21.5 | 34% | 0.335 | 12% | 0.116 | S | C | . | . | trans | -62.6 | 120.5 | -169.6 | -176.1 | 169.2 | -175.2 | 155 | 0 | 112.5 | T587 H590 E661 | K585-T587 HydrophobicContact CD-CG2 4.25Å; K585-T587 VanDerWaalsContact CE-CG2 3.44Å; K585-T587 HydrophobicContact CG-CG2 4.03Å; K585-H590 PolarHBondContact O-CE1 2.86Å; K585-H590 PolarHBondContact O-ND1 2.94Å; K585-E661 VanDerWaalsContact CE-CD 3.45Å; K585-E661 WeakPolarHBondContact CE-OE1 3.39Å; K585-E661 WeakPolarHBondContact CE-OE2 3.42Å; K585-E661 IonicContact NZ-OE1 3.37Å; K585-E661 PolarHBondContact NZ-OE1 3.42Å; K585-E661 IonicContact NZ-OE2 2.61Å; K585-E661 PolarHBondContact NZ-OE2 2.88Å | ||
| 586 | C | 96.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | trans | -121.9 | 95.1 | 173.8 | -160.3 | 0 | 0 | 0 | 0 | 111.2 | I582 G584 H590 Y659 G660 | I582-C586 HydrophobicContact CG2-CB 3.87Å; G584-C586 PolarHBondContact O-N 3.35Å; C586-H590 WeakPolarHBondContact CA-ND1 3.47Å; C586-Y659 HydrophobicContact CB-CD2 3.68Å; C586-Y659 HydrophobicContact CB-CE2 3.95Å; C586-G660 PolarHBondContact O-N 3.29Å | ||
| 587 | T | 95 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | 164.6 | 176.4 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | F470 K585 D589 H590 I591 E661 | F470-T587 HydrophobicContact CD2-CG2 3.89Å; F470-T587 HydrophobicContact CE2-CG2 3.91Å; F470-T587 HydrophobicContact CG-CG2 4.38Å; F470-T587 HydrophobicContact CZ-CG2 4.41Å; K585-T587 HydrophobicContact CD-CG2 4.25Å; K585-T587 VanDerWaalsContact CE-CG2 3.44Å; K585-T587 HydrophobicContact CG-CG2 4.03Å; T587-D589 PolarHBondContact O-N 2.97Å; T587-D589 VanDerWaalsContact O-N 3.14Å; T587-D589 PolarHBondContact OG1-N 3.45Å; T587-H590 PolarHBondContact N-ND1 3.24Å; T587-H590 VanDerWaalsContact N-ND1 3.12Å; T587-H590 WeakPolarHBondContact O-CA 3.13Å; T587-H590 WeakPolarHBondContact O-CB 3.48Å; T587-H590 PolarHBondContact O-N 2.99Å; T587-H590 PolarHBondContact OG1-N 3.21Å; T587-I591 WeakPolarHBondContact O-CG1 3.44Å; T587-I591 PolarHBondContact O-N 3.38Å; T587-I591 VanDerWaalsContact O-N 3.15Å; T587-E661 CarbonylContact C-O 3.58Å; T587-E661 VanDerWaalsContact CA-O 3.22Å; T587-E661 WeakPolarHBondContact CA-O 3.44Å; T587-E661 VanDerWaalsContact CB-O 3.27Å; T587-E661 WeakPolarHBondContact CB-O 3.15Å; T587-E661 HydrophobicContact CG2-CB 4.34Å |
| 588 | T | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -20.2 | 170.9 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | S592 G660 E661 S663 R665 A668 | T588-S592 CarbonylContact O-C 3.52Å; T588-S592 PolarHBondContact O-N 2.89Å; T588-S592 VanDerWaalsContact O-O 3.11Å; T588-G660 WeakPolarHBondContact CG2-O 3.34Å; T588-E661 PolarHBondContact N-O 3.01Å; T588-E661 PolarHBondContact OG1-O 3.39Å; T588-S663 WeakPolarHBondContact CG2-O 3.18Å; T588-S663 WeakPolarHBondContact OG1-CB 3.37Å; T588-S663 PolarHBondContact OG1-N 3.21Å; T588-S663 PolarHBondContact OG1-O 3.01Å; T588-S663 VanDerWaalsContact OG1-O 3.13Å; T588-R665 HydrophobicContact CG2-CG 4.4Å; T588-A668 HydrophobicContact CG2-CB 3.95Å |
| 589 | D | 91.8 | Very high | 95.1 | Very high | 24 Ų | 24 | 28.8 Ų | 28.8 | 13% | 0.128 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74.1 | -26.2 | 170.2 | -76.7 | -73.5 | 0 | 0 | 0 | 112.4 | R473 T587 A593 R665 | R473-D589 IonicContact CZ-OD2 3.93Å; R473-D589 IonicContact NH1-OD1 2.7Å; R473-D589 PolarHBondContact NH1-OD1 3.48Å; R473-D589 IonicContact NH1-OD2 3.49Å; R473-D589 PolarHBondContact NH1-OD2 2.77Å; T587-D589 PolarHBondContact O-N 2.97Å; T587-D589 VanDerWaalsContact O-N 3.14Å; T587-D589 PolarHBondContact OG1-N 3.45Å; D589-A593 WeakPolarHBondContact O-CA 3.28Å; D589-R665 VanDerWaalsContact CG-NH1 3.34Å; D589-R665 IonicContact OD1-CZ 3.79Å; D589-R665 VanDerWaalsContact OD1-CZ 3.31Å; D589-R665 IonicContact OD1-NH1 2.79Å; D589-R665 PolarHBondContact OD1-NH1 3.06Å; D589-R665 IonicContact OD1-NH2 2.89Å; D589-R665 PolarHBondContact OD1-NH2 3.23Å; D589-R665 IonicContact OD2-CZ 3.57Å; D589-R665 IonicContact OD2-NH1 2.83Å; D589-R665 IonicContact OD2-NH2 3.65Å; D589-R665 PolarHBondContact OD2-NH2 3.27Å |
| 590 | H | 95 | Very high | 95.1 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 17% | 0.171 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.3 | -33.7 | 170.5 | -58.2 | 154.6 | 0 | 0 | 0 | 112.2 | K585 C586 T587 F612 G614 | K585-H590 PolarHBondContact O-CE1 2.86Å; K585-H590 PolarHBondContact O-ND1 2.94Å; C586-H590 WeakPolarHBondContact CA-ND1 3.47Å; T587-H590 PolarHBondContact N-ND1 3.24Å; T587-H590 VanDerWaalsContact N-ND1 3.12Å; T587-H590 WeakPolarHBondContact O-CA 3.13Å; T587-H590 WeakPolarHBondContact O-CB 3.48Å; T587-H590 PolarHBondContact O-N 2.99Å; T587-H590 PolarHBondContact OG1-N 3.21Å; H590-F612 CarbonylContact O-C 3.58Å; H590-F612 WeakPolarHBondContact O-CA 3.25Å; H590-G614 PolarHBondContact CD2-O 2.61Å; H590-G614 PolarHBondContact O-N 2.99Å |
| 591 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -77.6 | -50.4 | 179.7 | -51.6 | 178.6 | 0 | 0 | 0 | 111.6 | T587 L611 F612 Y659 A668 | T587-I591 WeakPolarHBondContact O-CG1 3.44Å; T587-I591 PolarHBondContact O-N 3.38Å; T587-I591 VanDerWaalsContact O-N 3.15Å; I591-L611 HydrophobicContact CG2-CD1 4.42Å; I591-L611 CarbonylContact O-C 3.6Å; I591-L611 WeakPolarHBondContact O-CA 3.07Å; I591-F612 HydrophobicContact CB-CD1 4.21Å; I591-F612 HydrophobicContact CB-CE1 4Å; I591-F612 HydrophobicContact CD1-CE1 4.36Å; I591-F612 HydrophobicContact CG1-CD1 4.15Å; I591-F612 HydrophobicContact CG1-CE1 3.74Å; I591-F612 HydrophobicContact CG2-CD1 4.02Å; I591-F612 HydrophobicContact CG2-CE1 3.55Å; I591-F612 HydrophobicContact CG2-CZ 4.04Å; I591-F612 PolarHBondContact O-N 3.35Å; I591-Y659 HydrophobicContact CD1-CD1 4.41Å; I591-Y659 HydrophobicContact CD1-CE1 3.68Å; I591-Y659 HydrophobicContact CD1-CE2 4.25Å; I591-A668 HydrophobicContact CB-CB 4.06Å; I591-A668 HydrophobicContact CD1-CB 4.42Å; I591-A668 HydrophobicContact CG2-CB 3.78Å |
| 592 | S | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -141 | 87.6 | -174.6 | 172.2 | 0 | 0 | 0 | 0 | 109 | T588 R601 N610 R665 E671 | T588-S592 CarbonylContact O-C 3.52Å; T588-S592 PolarHBondContact O-N 2.89Å; T588-S592 VanDerWaalsContact O-O 3.11Å; S592-R601 PolarHBondContact OG-NH1 3.13Å; S592-N610 VanDerWaalsContact CA-OD1 3.31Å; S592-N610 WeakPolarHBondContact CA-OD1 3.27Å; S592-R665 VanDerWaalsContact O-CD 3.29Å; S592-R665 WeakPolarHBondContact O-CD 3.23Å; S592-R665 PolarHBondContact O-NH1 2.68Å; S592-E671 WeakPolarHBondContact CB-OE1 3.47Å; S592-E671 PolarHBondContact OG-OE1 3.47Å |
| 593 | A | 92.5 | Very high | 95 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | trans | -57.1 | 151.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D589 W597 R601 N610 I613 | D589-A593 WeakPolarHBondContact O-CA 3.28Å; A593-W597 WeakPolarHBondContact O-CB 3.38Å; A593-R601 PolarHBondContact O-NH2 2.94Å; A593-N610 PolarHBondContact N-ND2 2.96Å; A593-N610 PolarHBondContact O-ND2 2.91Å; A593-I613 HydrophobicContact CB-CD1 4.41Å | ||
| 594 | A | 90.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 7% | 0.074 | 14% | 0.135 | C | C | . | . | trans | -92.8 | -133.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I446 Q596 W597 L598 | I446-A594 HydrophobicContact CD1-CB 3.73Å; I446-A594 HydrophobicContact CG1-CB 4.14Å; A594-Q596 PolarHBondContact O-N 2.81Å; A594-W597 WeakPolarHBondContact O-CB 3.46Å; A594-W597 PolarHBondContact O-N 2.87Å; A594-L598 HydrophobicContact CB-CD2 4.05Å; A594-L598 HydrophobicContact CB-CG 4.39Å | ||
| 595 | G | 87.9 | Confident | 95.2 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 12% | 0.124 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | 52.8 | -121.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q448 W597 L598 | Q448-G595 PolarHBondContact NE2-O 2.99Å; G595-W597 PolarHBondContact O-N 3.29Å; G595-L598 WeakPolarHBondContact O-CB 3.33Å; G595-L598 WeakPolarHBondContact O-CG 3.43Å; G595-L598 PolarHBondContact O-N 2.59Å; G595-L598 VanDerWaalsContact O-N 3.1Å |
| 596 | Q | 89 | Confident | 95.4 | Very high | 143 Ų | 143 | 25.3 Ų | 25.3 | 67% | 0.668 | 13% | 0.125 | S | C | * | . | G | 310 helix | trans | -58.1 | -21.4 | -179.7 | 68.5 | 176.1 | -0.8 | 0 | 0 | 114.9 | A594 L598 K599 | A594-Q596 PolarHBondContact O-N 2.81Å; Q596-L598 VanDerWaalsContact C-N 3.32Å; Q596-K599 WeakPolarHBondContact O-CE 3.49Å; Q596-K599 VanDerWaalsContact O-CG 3.31Å; Q596-K599 WeakPolarHBondContact O-CG 3.32Å |
| 597 | W | 94.7 | Very high | 95.5 | Very high | 40 Ų | 40 | 25.2 Ų | 25.2 | 15% | 0.152 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -80.5 | -13.7 | -178.8 | -65.2 | 104.3 | 0 | 0 | 0 | 113.3 | A593 A594 G595 K599 Y600 N609 N610 I613 | A593-W597 WeakPolarHBondContact O-CB 3.38Å; A594-W597 WeakPolarHBondContact O-CB 3.46Å; A594-W597 PolarHBondContact O-N 2.87Å; G595-W597 PolarHBondContact O-N 3.29Å; W597-K599 PolarHBondContact O-N 3.38Å; W597-K599 VanDerWaalsContact O-N 3.11Å; W597-Y600 AromaticContact CE3-CD2 3.97Å; W597-Y600 HydrophobicContact CE3-CD2 3.97Å; W597-Y600 HydrophobicContact CE3-CE2 4.48Å; W597-Y600 HydrophobicContact CZ3-CD2 4.25Å; W597-Y600 HydrophobicContact CZ3-CE2 4.47Å; W597-Y600 PolarHBondContact O-N 3.44Å; W597-N609 HydrophobicContact CH2-CB 3.92Å; W597-N609 WeakPolarHBondContact CH2-O 3.41Å; W597-N609 HydrophobicContact CZ3-CB 3.95Å; W597-N610 VanDerWaalsContact CB-ND2 3.35Å; W597-N610 WeakPolarHBondContact CB-ND2 3.22Å; W597-N610 HydrophobicContact CD2-CB 3.45Å; W597-N610 VanDerWaalsContact CD2-CB 3.45Å; W597-N610 HydrophobicContact CE3-CB 3.73Å; W597-N610 HydrophobicContact CG-CB 3.99Å; W597-N610 HydrophobicContact CH2-CB 3.81Å; W597-N610 HydrophobicContact CZ2-CB 3.52Å; W597-N610 HydrophobicContact CZ3-CB 3.91Å; W597-I613 HydrophobicContact CZ2-CD1 4.15Å |
| 598 | L | 95.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -58.5 | -26.9 | 178 | -64.9 | -176.1 | 0 | 0 | 0 | 112.5 | A94 H121 L122 I446 Q448 A594 G595 Q596 Y600 R601 | A94-L598 HydrophobicContact CB-CD2 4.12Å; H121-L598 WeakPolarHBondContact O-CD1 3.35Å; L122-L598 HydrophobicContact CD2-CB 3.85Å; I446-L598 HydrophobicContact CG1-CD1 3.96Å; I446-L598 HydrophobicContact CG2-CD1 4.33Å; Q448-L598 HydrophobicContact CG-CD1 3.74Å; A594-L598 HydrophobicContact CB-CD2 4.05Å; A594-L598 HydrophobicContact CB-CG 4.39Å; G595-L598 WeakPolarHBondContact O-CB 3.33Å; G595-L598 WeakPolarHBondContact O-CG 3.43Å; G595-L598 PolarHBondContact O-N 2.59Å; G595-L598 VanDerWaalsContact O-N 3.1Å; Q596-L598 VanDerWaalsContact C-N 3.32Å; L598-Y600 PolarHBondContact O-N 3.32Å; L598-R601 HydrophobicContact CD2-CG 4.1Å; L598-R601 WeakPolarHBondContact O-CB 2.98Å; L598-R601 WeakPolarHBondContact O-CG 3.36Å; L598-R601 PolarHBondContact O-N 3.32Å |
| 599 | K | 96 | Very high | 95.8 | Very high | 89 Ų | 89 | 27.7 Ų | 27.7 | 39% | 0.387 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -60 | -25.5 | 174.9 | 72.4 | -175.3 | 166.2 | 160.2 | 0 | 113.4 | R558 Q596 W597 | R558-K599 WeakPolarHBondContact CD-O 3.39Å; R558-K599 PolarHBondContact NE-O 3.09Å; Q596-K599 WeakPolarHBondContact O-CE 3.49Å; Q596-K599 VanDerWaalsContact O-CG 3.31Å; Q596-K599 WeakPolarHBondContact O-CG 3.32Å; W597-K599 PolarHBondContact O-N 3.38Å; W597-K599 VanDerWaalsContact O-N 3.11Å |
| 600 | Y | 98 | Very high | 96.1 | Very high | 55 Ų | 55 | 26.5 Ų | 26.5 | 22% | 0.216 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -102.7 | 13.1 | -178.4 | -57.1 | -45.5 | 0 | 0 | 0 | 113.7 | Q557 W597 L598 G602 H603 N606 | Q557-Y600 WeakPolarHBondContact O-CD1 3.32Å; W597-Y600 AromaticContact CE3-CD2 3.97Å; W597-Y600 HydrophobicContact CE3-CD2 3.97Å; W597-Y600 HydrophobicContact CE3-CE2 4.48Å; W597-Y600 HydrophobicContact CZ3-CD2 4.25Å; W597-Y600 HydrophobicContact CZ3-CE2 4.47Å; W597-Y600 PolarHBondContact O-N 3.44Å; L598-Y600 PolarHBondContact O-N 3.32Å; Y600-G602 PolarHBondContact O-N 3.2Å; Y600-G602 VanDerWaalsContact O-N 3.14Å; Y600-H603 CarbonylContact O-C 3.48Å; Y600-H603 PolarHBondContact O-N 3.47Å; Y600-N606 HydrophobicContact CD1-CB 3.98Å; Y600-N606 HydrophobicContact CD2-CB 4.22Å; Y600-N606 HydrophobicContact CG-CB 3.84Å |
| 601 | R | 97.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.4 | -177.1 | -78.1 | -78.5 | -178.5 | -146.2 | -13 | 114.4 | A94 M98 S592 A593 L598 I607 H667 | A94-R601 HydrophobicContact CB-CG 4.25Å; A94-R601 VanDerWaalsContact O-CB 3.26Å; A94-R601 WeakPolarHBondContact O-CB 3.47Å; A94-R601 WeakPolarHBondContact O-CD 3.45Å; A94-R601 WeakPolarHBondContact O-CG 3.39Å; M98-R601 WeakPolarHBondContact CE-O 3.4Å; S592-R601 PolarHBondContact OG-NH1 3.13Å; A593-R601 PolarHBondContact O-NH2 2.94Å; L598-R601 HydrophobicContact CD2-CG 4.1Å; L598-R601 WeakPolarHBondContact O-CB 2.98Å; L598-R601 WeakPolarHBondContact O-CG 3.36Å; L598-R601 PolarHBondContact O-N 3.32Å; R601-I607 HydrophobicContact CG-CD1 4.09Å; R601-H667 WeakPolarHBondContact CD-CE1 3.4Å; R601-H667 PolarHBondContact NH1-ND1 3.35Å; R601-H667 PolarHBondContact O-NE2 2.82Å |
| 602 | G | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -91.4 | -1.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L101 R558 L559 Q560 Y600 | L101-G602 VanDerWaalsContact CD1-O 3.31Å; L101-G602 WeakPolarHBondContact CD1-O 3.2Å; R558-G602 CarbonylContact O-C 3.46Å; R558-G602 VanDerWaalsContact O-C 3.23Å; R558-G602 WeakPolarHBondContact O-CA 3.39Å; L559-G602 CarbonylContact C-O 3.51Å; L559-G602 WeakPolarHBondContact CA-O 3.09Å; Q560-G602 PolarHBondContact N-O 2.86Å; Y600-G602 PolarHBondContact O-N 3.2Å; Y600-G602 VanDerWaalsContact O-N 3.14Å |
| 603 | H | 98.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 7% | 0.065 | 13% | 0.133 | C | C | . | . | trans | -126.2 | 96.5 | -175.6 | -168.7 | -47.9 | 0 | 0 | 0 | 111.1 | S556 R558 Q560 Y600 D605 N606 I607 | S556-H603 PolarHBondContact O-CD2 2.93Å; S556-H603 VanDerWaalsContact O-CD2 3.27Å; S556-H603 PolarHBondContact O-NE2 3.37Å; R558-H603 PolarHBondContact O-N 3.11Å; Q560-H603 HydrophobicContact CB-CB 4.21Å; Q560-H603 VanDerWaalsContact CD-CE1 3.45Å; Q560-H603 PolarHBondContact OE1-CE1 3.02Å; Q560-H603 VanDerWaalsContact OE1-CE1 3.3Å; Q560-H603 PolarHBondContact OE1-ND1 3.19Å; Y600-H603 CarbonylContact O-C 3.48Å; Y600-H603 PolarHBondContact O-N 3.47Å; H603-D605 PolarHBondContact O-N 2.61Å; H603-N606 HydrophobicContact CB-CB 4.21Å; H603-N606 PolarHBondContact ND1-N 3Å; H603-N606 PolarHBondContact O-N 3.13Å; H603-I607 PolarHBondContact O-N 2.88Å | ||
| 604 | L | 98.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | -170 | -178.6 | 55.7 | 0 | 0 | 0 | 113.4 | M98 L562 F565 I607 S608 L670 E671 H674 | M98-L604 HydrophobicContact CE-CB 4.31Å; L562-L604 HydrophobicContact CD2-CB 4.32Å; L562-L604 HydrophobicContact CD2-CD2 3.99Å; F565-L604 HydrophobicContact CE1-CD2 4.47Å; F565-L604 HydrophobicContact CZ-CD2 4.1Å; L604-I607 HydrophobicContact CD1-CG2 4.4Å; L604-I607 WeakPolarHBondContact O-CG2 3.4Å; L604-S608 WeakPolarHBondContact O-CB 3.47Å; L604-S608 PolarHBondContact O-N 2.73Å; L604-S608 VanDerWaalsContact O-N 3.08Å; L604-S608 PolarHBondContact O-OG 3.17Å; L604-L670 HydrophobicContact CD1-CB 3.55Å; L604-L670 HydrophobicContact CD2-CB 4.37Å; L604-E671 HydrophobicContact CD1-CG 4.28Å; L604-H674 HydrophobicContact CD1-CB 4.46Å; L604-H674 HydrophobicContact CD2-CB 4.02Å; L604-H674 HydrophobicContact CG-CB 4.13Å |
| 605 | D | 98.2 | Very high | 96.6 | Very high | 46 Ų | 46 | 26.1 Ų | 26.1 | 25% | 0.246 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.9 | -40 | -178.3 | -168.7 | 65.3 | 0 | 0 | 0 | 112.9 | H603 S608 R642 H674 | H603-D605 PolarHBondContact O-N 2.61Å; D605-S608 WeakPolarHBondContact O-CB 3.45Å; D605-S608 PolarHBondContact O-N 2.97Å; D605-R642 PolarHBondContact O-NH2 2.89Å; D605-R642 IonicContact OD1-CZ 3.78Å; D605-R642 IonicContact OD1-NH1 3.44Å; D605-R642 PolarHBondContact OD1-NH1 2.71Å; D605-R642 IonicContact OD1-NH2 2.78Å; D605-R642 PolarHBondContact OD1-NH2 3.09Å; D605-R642 IonicContact OD2-NH1 2.82Å; D605-R642 IonicContact OD2-NH2 3.6Å; D605-H674 IonicContact OD1-CD2 3.78Å; D605-H674 IonicContact OD1-CE1 2.76Å; D605-H674 IonicContact OD1-NE2 2.67Å; D605-H674 PolarHBondContact OD1-NE2 3.37Å |
| 606 | N | 98.3 | Very high | 97 | Very high | 24 Ų | 24 | 28 Ų | 28 | 13% | 0.128 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.9 | -44.1 | 177.8 | -81 | -11.4 | 0 | 0 | 0 | 112.4 | Q557 Y600 H603 S608 N609 | Q557-N606 PolarHBondContact O-ND2 3.36Å; Q557-N606 VanDerWaalsContact O-ND2 3.1Å; Q557-N606 PolarHBondContact OE1-ND2 3.23Å; Y600-N606 HydrophobicContact CD1-CB 3.98Å; Y600-N606 HydrophobicContact CD2-CB 4.22Å; Y600-N606 HydrophobicContact CG-CB 3.84Å; H603-N606 HydrophobicContact CB-CB 4.21Å; H603-N606 PolarHBondContact ND1-N 3Å; H603-N606 PolarHBondContact O-N 3.13Å; N606-S608 VanDerWaalsContact C-N 3.29Å; N606-S608 PolarHBondContact O-N 3.18Å; N606-N609 WeakPolarHBondContact O-CB 3.47Å; N606-N609 PolarHBondContact O-N 3.33Å; N606-N609 PolarHBondContact O-ND2 3.09Å; N606-N609 VanDerWaalsContact O-ND2 3.08Å |
| 607 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.4 | -30.8 | 178.7 | -162.1 | 166.1 | 0 | 0 | 0 | 112.1 | R601 H603 L604 N609 N610 H667 E671 | R601-I607 HydrophobicContact CG-CD1 4.09Å; H603-I607 PolarHBondContact O-N 2.88Å; L604-I607 HydrophobicContact CD1-CG2 4.4Å; L604-I607 WeakPolarHBondContact O-CG2 3.4Å; I607-N609 PolarHBondContact O-N 2.94Å; I607-N610 PolarHBondContact O-N 3.43Å; I607-N610 PolarHBondContact O-OD1 3.37Å; I607-H667 HydrophobicContact CD1-CB 4.46Å; I607-E671 HydrophobicContact CG2-CG 4.12Å |
| 608 | S | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -58.7 | -11.6 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 114.2 | L604 D605 N606 N610 L611 E671 H674 L675 | L604-S608 WeakPolarHBondContact O-CB 3.47Å; L604-S608 PolarHBondContact O-N 2.73Å; L604-S608 VanDerWaalsContact O-N 3.08Å; L604-S608 PolarHBondContact O-OG 3.17Å; D605-S608 WeakPolarHBondContact O-CB 3.45Å; D605-S608 PolarHBondContact O-N 2.97Å; N606-S608 VanDerWaalsContact C-N 3.29Å; N606-S608 PolarHBondContact O-N 3.18Å; S608-N610 PolarHBondContact O-N 3.25Å; S608-L611 WeakPolarHBondContact O-CB 3.32Å; S608-L611 PolarHBondContact O-N 3.43Å; S608-E671 WeakPolarHBondContact CA-OE2 3.35Å; S608-H674 PolarHBondContact OG-CD2 3.32Å; S608-L675 WeakPolarHBondContact O-CD1 3.42Å |
| 609 | N | 98.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 24.9 Ų | 24.9 | 28% | 0.283 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -72.7 | 1.1 | 170.3 | -62.7 | -45.5 | 0 | 0 | 0 | 113.8 | W597 N606 I607 P638 R642 | W597-N609 HydrophobicContact CH2-CB 3.92Å; W597-N609 WeakPolarHBondContact CH2-O 3.41Å; W597-N609 HydrophobicContact CZ3-CB 3.95Å; N606-N609 WeakPolarHBondContact O-CB 3.47Å; N606-N609 PolarHBondContact O-N 3.33Å; N606-N609 PolarHBondContact O-ND2 3.09Å; N606-N609 VanDerWaalsContact O-ND2 3.08Å; I607-N609 PolarHBondContact O-N 2.94Å; N609-P638 WeakPolarHBondContact O-CG 3.47Å; N609-R642 PolarHBondContact OD1-NE 3.37Å; N609-R642 VanDerWaalsContact OD1-NE 3.15Å; N609-R642 PolarHBondContact OD1-NH2 3.05Å |
| 610 | N | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -111.6 | 4.6 | 173.3 | 82.8 | 14.1 | 0 | 0 | 0 | 114.2 | S592 A593 W597 I607 S608 F612 I613 E671 | S592-N610 VanDerWaalsContact CA-OD1 3.31Å; S592-N610 WeakPolarHBondContact CA-OD1 3.27Å; A593-N610 PolarHBondContact N-ND2 2.96Å; A593-N610 PolarHBondContact O-ND2 2.91Å; W597-N610 VanDerWaalsContact CB-ND2 3.35Å; W597-N610 WeakPolarHBondContact CB-ND2 3.22Å; W597-N610 HydrophobicContact CD2-CB 3.45Å; W597-N610 VanDerWaalsContact CD2-CB 3.45Å; W597-N610 HydrophobicContact CE3-CB 3.73Å; W597-N610 HydrophobicContact CG-CB 3.99Å; W597-N610 HydrophobicContact CH2-CB 3.81Å; W597-N610 HydrophobicContact CZ2-CB 3.52Å; W597-N610 HydrophobicContact CZ3-CB 3.91Å; I607-N610 PolarHBondContact O-N 3.43Å; I607-N610 PolarHBondContact O-OD1 3.37Å; S608-N610 PolarHBondContact O-N 3.25Å; N610-F612 PolarHBondContact O-N 3.27Å; N610-F612 VanDerWaalsContact O-N 3.1Å; N610-I613 HydrophobicContact CB-CD1 3.98Å; N610-I613 HydrophobicContact CB-CG1 4.47Å; N610-I613 WeakPolarHBondContact O-CG1 3.44Å; N610-I613 WeakPolarHBondContact O-CG2 3.27Å; N610-I613 PolarHBondContact O-N 3.15Å; N610-E671 PolarHBondContact OD1-OE1 3.28Å; N610-E671 PolarHBondContact OD1-OE2 3.24Å |
| 611 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -50.9 | 115.7 | 178.2 | 178 | 64.1 | 0 | 0 | 0 | 111.4 | L579 I591 S608 I613 P638 A641 W651 E671 P672 L675 | L579-L611 HydrophobicContact CD2-CD2 4.48Å; I591-L611 HydrophobicContact CG2-CD1 4.42Å; I591-L611 CarbonylContact O-C 3.6Å; I591-L611 WeakPolarHBondContact O-CA 3.07Å; S608-L611 WeakPolarHBondContact O-CB 3.32Å; S608-L611 PolarHBondContact O-N 3.43Å; L611-I613 PolarHBondContact O-N 3.32Å; L611-I613 VanDerWaalsContact O-N 3.15Å; L611-P638 HydrophobicContact CB-CG 4.32Å; L611-P638 WeakPolarHBondContact O-CD 3.45Å; L611-P638 WeakPolarHBondContact O-CG 3.16Å; L611-A641 HydrophobicContact CD2-CB 4.16Å; L611-W651 HydrophobicContact CD2-CH2 4.2Å; L611-W651 HydrophobicContact CD2-CZ2 4.18Å; L611-E671 HydrophobicContact CD1-CB 4.17Å; L611-E671 PolarHBondContact N-OE2 3.35Å; L611-P672 HydrophobicContact CD1-CB 4.39Å; L611-P672 HydrophobicContact CD1-CG 3.7Å; L611-L675 HydrophobicContact CB-CD1 4.18Å; L611-L675 HydrophobicContact CD2-CB 4.11Å; L611-L675 HydrophobicContact CD2-CD1 3.66Å; L611-L675 HydrophobicContact CD2-CG 4.35Å |
| 612 | F | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 19.8 | 175.7 | -62.1 | -56.1 | 0 | 0 | 0 | 116.5 | L579 I580 I582 H590 I591 N610 G614 A615 V637 W651 V653 Y659 P672 | L579-F612 HydrophobicContact CD2-CD2 4.36Å; I580-F612 HydrophobicContact CG2-CD2 4.23Å; I580-F612 HydrophobicContact CG2-CG 4.42Å; I582-F612 HydrophobicContact CD1-CD1 4.14Å; I582-F612 HydrophobicContact CD1-CE1 4.11Å; H590-F612 CarbonylContact O-C 3.58Å; H590-F612 WeakPolarHBondContact O-CA 3.25Å; I591-F612 HydrophobicContact CB-CD1 4.21Å; I591-F612 HydrophobicContact CB-CE1 4Å; I591-F612 HydrophobicContact CD1-CE1 4.36Å; I591-F612 HydrophobicContact CG1-CD1 4.15Å; I591-F612 HydrophobicContact CG1-CE1 3.74Å; I591-F612 HydrophobicContact CG2-CD1 4.02Å; I591-F612 HydrophobicContact CG2-CE1 3.55Å; I591-F612 HydrophobicContact CG2-CZ 4.04Å; I591-F612 PolarHBondContact O-N 3.35Å; N610-F612 PolarHBondContact O-N 3.27Å; N610-F612 VanDerWaalsContact O-N 3.1Å; F612-G614 PolarHBondContact O-N 2.86Å; F612-G614 VanDerWaalsContact O-N 3.14Å; F612-A615 HydrophobicContact CB-CB 4.11Å; F612-A615 HydrophobicContact CD1-CB 4.16Å; F612-A615 PolarHBondContact O-N 3.43Å; F612-A615 VanDerWaalsContact O-N 3.1Å; F612-V637 HydrophobicContact CB-CB 4.15Å; F612-V637 HydrophobicContact CB-CG1 3.73Å; F612-V637 HydrophobicContact CB-CG2 4.33Å; F612-V637 HydrophobicContact CD2-CG1 4.04Å; F612-V637 HydrophobicContact CG-CG1 4.38Å; F612-W651 HydrophobicContact CE2-CH2 4.46Å; F612-V653 HydrophobicContact CE2-CG2 3.74Å; F612-V653 HydrophobicContact CZ-CG2 4.01Å; F612-Y659 HydrophobicContact CE1-CE2 4.46Å; F612-Y659 WeakPolarHBondContact CE1-OH 3.46Å; F612-Y659 WeakPolarHBondContact CZ-OH 3.33Å; F612-P672 HydrophobicContact CE2-CG 4.5Å; F612-P672 HydrophobicContact CZ-CG 4.37Å |
| 613 | I | 97 | Very high | 97.5 | Very high | 42 Ų | 42 | 33 Ų | 33 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20 | -179.8 | 69.1 | 175.1 | 0 | 0 | 0 | 113 | A593 W597 N610 L611 N624 P638 | A593-I613 HydrophobicContact CB-CD1 4.41Å; W597-I613 HydrophobicContact CZ2-CD1 4.15Å; N610-I613 HydrophobicContact CB-CD1 3.98Å; N610-I613 HydrophobicContact CB-CG1 4.47Å; N610-I613 WeakPolarHBondContact O-CG1 3.44Å; N610-I613 WeakPolarHBondContact O-CG2 3.27Å; N610-I613 PolarHBondContact O-N 3.15Å; L611-I613 PolarHBondContact O-N 3.32Å; L611-I613 VanDerWaalsContact O-N 3.15Å; I613-N624 HydrophobicContact CB-CB 4.08Å; I613-N624 HydrophobicContact CG2-CB 4.47Å; I613-N624 WeakPolarHBondContact O-CB 3.36Å; I613-P638 HydrophobicContact CG2-CG 3.95Å |
| 614 | G | 94.4 | Very high | 97.5 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -0.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H590 F612 | H590-G614 PolarHBondContact CD2-O 2.61Å; H590-G614 PolarHBondContact O-N 2.99Å; F612-G614 PolarHBondContact O-N 2.86Å; F612-G614 VanDerWaalsContact O-N 3.14Å |
| 615 | A | 96.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -82.2 | 137.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I580 I582 F612 M623 | I580-A615 HydrophobicContact CD1-CB 4.08Å; I582-A615 HydrophobicContact CD1-CB 4.04Å; I582-A615 HydrophobicContact CG1-CB 4.09Å; I582-A615 HydrophobicContact CG2-CB 4.29Å; F612-A615 HydrophobicContact CB-CB 4.11Å; F612-A615 HydrophobicContact CD1-CB 4.16Å; F612-A615 PolarHBondContact O-N 3.43Å; F612-A615 VanDerWaalsContact O-N 3.1Å; A615-M623 WeakPolarHBondContact O-CA 3.14Å |
| 616 | V | 97 | Very high | 97.5 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 30% | 0.303 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -84.4 | 118 | 178 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | I582 K583 M623 | I582-V616 WeakPolarHBondContact CA-O 3.16Å; K583-V616 HydrophobicContact CB-CG1 4.45Å; K583-V616 PolarHBondContact N-O 2.85Å; V616-M623 HydrophobicContact CG2-CG 3.99Å |
| 617 | N | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 126.5 | 175.2 | 178.6 | 13.4 | 0 | 0 | 0 | 110 | I580 E619 N620 N621 E622 K625 V626 | I580-N617 HydrophobicContact CD1-CB 3.99Å; I580-N617 HydrophobicContact CG1-CB 4.11Å; N617-E619 VanDerWaalsContact C-N 3.25Å; N617-E619 PolarHBondContact O-N 3.37Å; N617-E619 PolarHBondContact OD1-N 3.01Å; N617-E619 VanDerWaalsContact OD1-N 3.08Å; N617-N620 WeakPolarHBondContact CB-OD1 3.34Å; N617-N620 PolarHBondContact ND2-OD1 2.98Å; N617-N621 WeakPolarHBondContact O-CA 3.31Å; N617-N621 PolarHBondContact O-N 3.21Å; N617-E622 PolarHBondContact N-O 2.91Å; N617-K625 PolarHBondContact ND2-O 2.89Å; N617-V626 HydrophobicContact CB-CG1 4.39Å |
| 618 | E | 98 | Very high | 97.5 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -33.5 | 177.6 | -172.8 | -173.2 | -118.9 | 0 | 0 | 112.6 | K581 K583 N620 Y709 | K581-E618 HydrophobicContact CB-CB 4.43Å; K581-E618 WeakPolarHBondContact CD-OE2 3.44Å; K581-E618 WeakPolarHBondContact CE-OE1 3.45Å; K581-E618 WeakPolarHBondContact CE-OE2 3.28Å; K581-E618 HydrophobicContact CG-CB 4.23Å; K581-E618 WeakPolarHBondContact CG-OE2 3.36Å; K581-E618 VanDerWaalsContact NZ-CD 3.27Å; K581-E618 IonicContact NZ-OE1 2.66Å; K581-E618 PolarHBondContact NZ-OE1 2.88Å; K581-E618 IonicContact NZ-OE2 2.75Å; K581-E618 PolarHBondContact NZ-OE2 3.12Å; K581-E618 WeakPolarHBondContact O-CB 3.42Å; K581-E618 PolarHBondContact O-N 3.48Å; K583-E618 HydrophobicContact CB-CB 4.24Å; E618-N620 PolarHBondContact O-N 3.15Å; E618-Y709 PolarHBondContact OE1-OH 2.98Å |
| 619 | E | 97.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34.3 | -171.9 | -165.4 | 174.2 | -171 | 0 | 0 | 113.5 | N617 R629 W634 P714 | N617-E619 VanDerWaalsContact C-N 3.25Å; N617-E619 PolarHBondContact O-N 3.37Å; N617-E619 PolarHBondContact OD1-N 3.01Å; N617-E619 VanDerWaalsContact OD1-N 3.08Å; E619-R629 IonicContact OE1-CZ 3.31Å; E619-R629 IonicContact OE1-NH1 3.92Å; E619-R629 PolarHBondContact OE1-NH1 3.44Å; E619-R629 IonicContact OE1-NH2 2.88Å; E619-R629 PolarHBondContact OE1-NH2 3.29Å; E619-R629 IonicContact OE2-CZ 3.11Å; E619-R629 IonicContact OE2-NH1 3.14Å; E619-R629 PolarHBondContact OE2-NH1 3.03Å; E619-R629 IonicContact OE2-NH2 2.85Å; E619-R629 PolarHBondContact OE2-NH2 3.28Å; E619-W634 HydrophobicContact CB-CH2 4.32Å; E619-W634 HydrophobicContact CG-CH2 3.89Å; E619-P714 HydrophobicContact CB-CB 4.02Å; E619-P714 HydrophobicContact CB-CG 3.86Å; E619-P714 HydrophobicContact CG-CB 4.11Å; E619-P714 HydrophobicContact CG-CG 4.2Å |
| 620 | N | 97.5 | Very high | 97.1 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | -2.9 | -177 | 60.7 | 12.1 | 0 | 0 | 0 | 113.7 | N617 E618 E622 K625 W634 | N617-N620 WeakPolarHBondContact CB-OD1 3.34Å; N617-N620 PolarHBondContact ND2-OD1 2.98Å; E618-N620 PolarHBondContact O-N 3.15Å; N620-E622 HydrophobicContact CB-CG 4.45Å; N620-E622 PolarHBondContact O-N 2.79Å; N620-E622 WeakPolarHBondContact OD1-CB 3.47Å; N620-E622 PolarHBondContact OD1-N 2.97Å; N620-K625 PolarHBondContact ND2-O 2.73Å; N620-W634 HydrophobicContact CB-CH2 4.25Å; N620-W634 HydrophobicContact CB-CZ3 4.41Å; N620-W634 WeakPolarHBondContact ND2-CZ3 2.98Å |
| 621 | N | 97 | Very high | 97 | Very high | 96 Ų | 96 | 44.1 Ų | 44.1 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 56.2 | 23.8 | -172.3 | -60.3 | -85.1 | 0 | 0 | 0 | 114.1 | K583 N617 | K583-N621 WeakPolarHBondContact CD-OD1 3.46Å; K583-N621 PolarHBondContact NZ-OD1 3.23Å; N617-N621 WeakPolarHBondContact O-CA 3.31Å; N617-N621 PolarHBondContact O-N 3.21Å |
| 622 | E | 96.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 46.4 Ų | 46.4 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | trans | -103.3 | 153.8 | 176 | -64 | -178.8 | -113.1 | 0 | 0 | 110.9 | N617 N620 K625 | N617-E622 PolarHBondContact N-O 2.91Å; N620-E622 HydrophobicContact CB-CG 4.45Å; N620-E622 PolarHBondContact O-N 2.79Å; N620-E622 WeakPolarHBondContact OD1-CB 3.47Å; N620-E622 PolarHBondContact OD1-N 2.97Å; E622-K625 HydrophobicContact CB-CB 4.22Å; E622-K625 HydrophobicContact CB-CD 4.41Å; E622-K625 VanDerWaalsContact CD-CD 3.46Å; E622-K625 WeakPolarHBondContact OE1-CD 3.34Å; E622-K625 IonicContact OE1-NZ 3.05Å; E622-K625 PolarHBondContact OE1-NZ 3.11Å; E622-K625 WeakPolarHBondContact OE2-CD 3.43Å; E622-K625 IonicContact OE2-NZ 3.37Å; E622-K625 PolarHBondContact OE2-NZ 3.25Å | ||
| 623 | M | 95.2 | Very high | 96.8 | Very high | 107 Ų | 107 | 52 Ų | 52 | 53% | 0.527 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -88.3 | 147.9 | 168.2 | -68.9 | -176.7 | -70.2 | 0 | 0 | 110.4 | A615 V616 K625 | A615-M623 WeakPolarHBondContact O-CA 3.14Å; V616-M623 HydrophobicContact CG2-CG 3.99Å; M623-K625 VanDerWaalsContact C-N 3.28Å; M623-K625 PolarHBondContact O-N 2.83Å |
| 624 | N | 97.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 55.3 Ų | 55.3 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 53.7 | 36.1 | 176.5 | -161.1 | 21.6 | 0 | 0 | 0 | 115.4 | I613 T636 V637 | I613-N624 HydrophobicContact CB-CB 4.08Å; I613-N624 HydrophobicContact CG2-CB 4.47Å; I613-N624 WeakPolarHBondContact O-CB 3.36Å; N624-T636 WeakPolarHBondContact O-CA 3.29Å; N624-T636 WeakPolarHBondContact OD1-CB 3.45Å; N624-V637 PolarHBondContact OD1-N 2.8Å |
| 625 | K | 98.3 | Very high | 97 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | trans | -146 | 110.1 | 179.8 | -165.8 | -176.8 | -177.2 | -174.1 | 0 | 111.4 | N617 N620 E622 M623 W634 D635 | N617-K625 PolarHBondContact ND2-O 2.89Å; N620-K625 PolarHBondContact ND2-O 2.73Å; E622-K625 HydrophobicContact CB-CB 4.22Å; E622-K625 HydrophobicContact CB-CD 4.41Å; E622-K625 VanDerWaalsContact CD-CD 3.46Å; E622-K625 WeakPolarHBondContact OE1-CD 3.34Å; E622-K625 IonicContact OE1-NZ 3.05Å; E622-K625 PolarHBondContact OE1-NZ 3.11Å; E622-K625 WeakPolarHBondContact OE2-CD 3.43Å; E622-K625 IonicContact OE2-NZ 3.37Å; E622-K625 PolarHBondContact OE2-NZ 3.25Å; M623-K625 VanDerWaalsContact C-N 3.28Å; M623-K625 PolarHBondContact O-N 2.83Å; K625-W634 HydrophobicContact CG-CB 4.36Å; K625-W634 HydrophobicContact CG-CE3 4.09Å; K625-D635 WeakPolarHBondContact CA-O 3.5Å | ||
| 626 | V | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 154.4 | -177 | -67.1 | 0 | 0 | 0 | 0 | 110.6 | I580 N617 W634 D635 V637 V640 | I580-V626 HydrophobicContact CB-CG1 3.98Å; I580-V626 HydrophobicContact CD1-CG1 4.06Å; I580-V626 HydrophobicContact CG1-CG1 3.98Å; N617-V626 HydrophobicContact CB-CG1 4.39Å; V626-W634 WeakPolarHBondContact O-CA 3.06Å; V626-D635 PolarHBondContact N-O 2.81Å; V626-D635 PolarHBondContact O-N 2.91Å; V626-V637 HydrophobicContact CB-CG2 4.47Å; V626-V637 HydrophobicContact CG1-CG2 3.76Å; V626-V637 HydrophobicContact CG2-CB 4.29Å; V626-V637 HydrophobicContact CG2-CG2 3.89Å; V626-V640 HydrophobicContact CG2-CB 3.89Å; V626-V640 HydrophobicContact CG2-CG1 4.22Å; V626-V640 HydrophobicContact CG2-CG2 3.74Å |
| 627 | L | 98.3 | Very high | 97.2 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 121.7 | -179.9 | -167.2 | 73.8 | 0 | 0 | 0 | 110.3 | R629 G632 W634 | L627-R629 PolarHBondContact O-N 3.17Å; L627-R629 VanDerWaalsContact O-N 3.1Å; L627-G632 WeakPolarHBondContact CD1-O 3.48Å; L627-W634 HydrophobicContact CB-CD2 4.19Å; L627-W634 HydrophobicContact CB-CE3 4.08Å; L627-W634 HydrophobicContact CB-CH2 4.15Å; L627-W634 HydrophobicContact CB-CZ2 4.25Å; L627-W634 HydrophobicContact CB-CZ3 4.06Å; L627-W634 HydrophobicContact CD1-CD2 3.8Å; L627-W634 HydrophobicContact CD1-CG 3.85Å; L627-W634 HydrophobicContact CD1-CZ2 4.22Å |
| 628 | H | 98 | Very high | 97.2 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 98.4 | 165 | -178.3 | -118.5 | 0 | 0 | 0 | 108.8 | S631 G632 Q633 V640 Y644 | H628-S631 WeakPolarHBondContact ND1-CB 3.48Å; H628-S631 PolarHBondContact ND1-OG 2.89Å; H628-S631 PolarHBondContact O-N 3.31Å; H628-S631 VanDerWaalsContact O-N 3.17Å; H628-G632 PolarHBondContact O-N 2.86Å; H628-Q633 PolarHBondContact N-O 3.4Å; H628-V640 HydrophobicContact CB-CG1 4.09Å; H628-V640 HydrophobicContact CB-CG2 4.05Å; H628-Y644 AromaticContact CD2-CD1 3.97Å; H628-Y644 AromaticContact CD2-CE1 3.54Å; H628-Y644 AromaticContact CD2-CZ 3.89Å; H628-Y644 AromaticContact NE2-CD1 3.9Å; H628-Y644 AromaticContact NE2-CE1 3.74Å |
| 629 | R | 94.4 | Very high | 97.3 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 26% | 0.26 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -44.7 | -170.3 | -56.9 | -67.8 | -179.1 | -152.1 | -14.3 | 113.4 | E619 L627 S631 G632 Y644 P714 | E619-R629 IonicContact OE1-CZ 3.31Å; E619-R629 IonicContact OE1-NH1 3.92Å; E619-R629 PolarHBondContact OE1-NH1 3.44Å; E619-R629 IonicContact OE1-NH2 2.88Å; E619-R629 PolarHBondContact OE1-NH2 3.29Å; E619-R629 IonicContact OE2-CZ 3.11Å; E619-R629 IonicContact OE2-NH1 3.14Å; E619-R629 PolarHBondContact OE2-NH1 3.03Å; E619-R629 IonicContact OE2-NH2 2.85Å; E619-R629 PolarHBondContact OE2-NH2 3.28Å; L627-R629 PolarHBondContact O-N 3.17Å; L627-R629 VanDerWaalsContact O-N 3.1Å; R629-S631 VanDerWaalsContact C-N 3.32Å; R629-S631 PolarHBondContact O-N 3.19Å; R629-G632 PolarHBondContact O-N 3.23Å; R629-Y644 PolarHBondContact N-OH 3.13Å; R629-P714 PolarHBondContact NE-O 2.98Å; R629-P714 PolarHBondContact NH2-O 2.97Å |
| 630 | P | 94.2 | Very high | 97.3 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 57% | 0.571 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.9 | -179.3 | -25.1 | 35.4 | 0 | 0 | 0 | 114.3 | Y644 I649 | P630-Y644 HydrophobicContact CG-CE1 3.98Å; P630-I649 HydrophobicContact CG-CD1 4.46Å |
| 631 | S | 95.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 52.6 Ų | 52.6 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -8 | -178.2 | 74.3 | 0 | 0 | 0 | 0 | 114.1 | H628 R629 Q633 | H628-S631 WeakPolarHBondContact ND1-CB 3.48Å; H628-S631 PolarHBondContact ND1-OG 2.89Å; H628-S631 PolarHBondContact O-N 3.31Å; H628-S631 VanDerWaalsContact O-N 3.17Å; R629-S631 VanDerWaalsContact C-N 3.32Å; R629-S631 PolarHBondContact O-N 3.19Å; S631-Q633 PolarHBondContact O-N 3.41Å; S631-Q633 PolarHBondContact OG-N 2.93Å |
| 632 | G | 96 | Very high | 97.5 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 51% | 0.505 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 19 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L627 H628 R629 | L627-G632 WeakPolarHBondContact CD1-O 3.48Å; H628-G632 PolarHBondContact O-N 2.86Å; R629-G632 PolarHBondContact O-N 3.23Å |
| 633 | Q | 97.1 | Very high | 97.6 | Very high | 117 Ų | 117 | 50 Ų | 50 | 55% | 0.547 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135 | -177.8 | -69.7 | -175.9 | -13.9 | 0 | 0 | 111.7 | H628 S631 | H628-Q633 PolarHBondContact N-O 3.4Å; S631-Q633 PolarHBondContact O-N 3.41Å; S631-Q633 PolarHBondContact OG-N 2.93Å |
| 634 | W | 98.2 | Very high | 97.7 | Very high | 111 Ų | 111 | 45 Ų | 45 | 42% | 0.42 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134.9 | 170 | -67.1 | 94.3 | 0 | 0 | 0 | 110.4 | E619 N620 K625 V626 L627 | E619-W634 HydrophobicContact CB-CH2 4.32Å; E619-W634 HydrophobicContact CG-CH2 3.89Å; N620-W634 HydrophobicContact CB-CH2 4.25Å; N620-W634 HydrophobicContact CB-CZ3 4.41Å; N620-W634 WeakPolarHBondContact ND2-CZ3 2.98Å; K625-W634 HydrophobicContact CG-CB 4.36Å; K625-W634 HydrophobicContact CG-CE3 4.09Å; V626-W634 WeakPolarHBondContact O-CA 3.06Å; L627-W634 HydrophobicContact CB-CD2 4.19Å; L627-W634 HydrophobicContact CB-CE3 4.08Å; L627-W634 HydrophobicContact CB-CH2 4.15Å; L627-W634 HydrophobicContact CB-CZ2 4.25Å; L627-W634 HydrophobicContact CB-CZ3 4.06Å; L627-W634 HydrophobicContact CD1-CD2 3.8Å; L627-W634 HydrophobicContact CD1-CG 3.85Å; L627-W634 HydrophobicContact CD1-CZ2 4.22Å |
| 635 | D | 98.3 | Very high | 97.7 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 177.3 | 179.8 | -159 | -16.5 | 0 | 0 | 0 | 109.7 | K625 V626 V640 K643 | K625-D635 WeakPolarHBondContact CA-O 3.5Å; V626-D635 PolarHBondContact N-O 2.81Å; V626-D635 PolarHBondContact O-N 2.91Å; D635-V640 HydrophobicContact CB-CG2 3.77Å; D635-K643 IonicContact OD2-NZ 3.73Å; D635-K643 PolarHBondContact OD2-NZ 3.42Å |
| 636 | T | 98.5 | Very high | 97.7 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | trans | -67.8 | 148.8 | 174.7 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | N624 M639 V640 | N624-T636 WeakPolarHBondContact O-CA 3.29Å; N624-T636 WeakPolarHBondContact OD1-CB 3.45Å; T636-M639 PolarHBondContact O-N 3.46Å; T636-M639 VanDerWaalsContact O-N 3.12Å; T636-M639 WeakPolarHBondContact OG1-CB 3.33Å; T636-M639 WeakPolarHBondContact OG1-CG 3.18Å; T636-V640 PolarHBondContact O-N 3.28Å | ||
| 637 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | -175.7 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | L579 I580 F612 N624 V626 M639 V640 A641 | L579-V637 HydrophobicContact CD1-CG1 4.21Å; L579-V637 HydrophobicContact CD2-CG1 3.8Å; L579-V637 HydrophobicContact CG-CG1 3.94Å; I580-V637 HydrophobicContact CD1-CG2 4.33Å; F612-V637 HydrophobicContact CB-CB 4.15Å; F612-V637 HydrophobicContact CB-CG1 3.73Å; F612-V637 HydrophobicContact CB-CG2 4.33Å; F612-V637 HydrophobicContact CD2-CG1 4.04Å; F612-V637 HydrophobicContact CG-CG1 4.38Å; N624-V637 PolarHBondContact OD1-N 2.8Å; V626-V637 HydrophobicContact CB-CG2 4.47Å; V626-V637 HydrophobicContact CG1-CG2 3.76Å; V626-V637 HydrophobicContact CG2-CB 4.29Å; V626-V637 HydrophobicContact CG2-CG2 3.89Å; V637-M639 VanDerWaalsContact C-N 3.32Å; V637-M639 PolarHBondContact O-N 3.4Å; V637-V640 PolarHBondContact O-N 2.84Å; V637-A641 WeakPolarHBondContact O-CB 3.29Å; V637-A641 PolarHBondContact O-N 3.39Å |
| 638 | P | 98.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 177 | -22.1 | 33 | 0 | 0 | 0 | 113.2 | N609 L611 I613 A641 R642 | N609-P638 WeakPolarHBondContact O-CG 3.47Å; L611-P638 HydrophobicContact CB-CG 4.32Å; L611-P638 WeakPolarHBondContact O-CD 3.45Å; L611-P638 WeakPolarHBondContact O-CG 3.16Å; I613-P638 HydrophobicContact CG2-CG 3.95Å; P638-A641 PolarHBondContact O-N 3.36Å; P638-R642 WeakPolarHBondContact O-CB 3.26Å; P638-R642 VanDerWaalsContact O-CG 3.32Å; P638-R642 WeakPolarHBondContact O-CG 3.23Å; P638-R642 PolarHBondContact O-N 3.3Å |
| 639 | M | 98.5 | Very high | 97.5 | Very high | 68 Ų | 68 | 55.7 Ų | 55.7 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | -179.5 | -68 | -56.8 | 102.4 | 0 | 0 | 111.6 | T636 V637 R642 K643 | T636-M639 PolarHBondContact O-N 3.46Å; T636-M639 VanDerWaalsContact O-N 3.12Å; T636-M639 WeakPolarHBondContact OG1-CB 3.33Å; T636-M639 WeakPolarHBondContact OG1-CG 3.18Å; V637-M639 VanDerWaalsContact C-N 3.32Å; V637-M639 PolarHBondContact O-N 3.4Å; M639-R642 PolarHBondContact O-N 3.32Å; M639-K643 WeakPolarHBondContact O-CG 3.25Å; M639-K643 PolarHBondContact O-N 3.42Å |
| 640 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 173.5 | 178 | 0 | 0 | 0 | 0 | 111.1 | L579 V626 H628 D635 T636 V637 R642 K643 Y644 | L579-V640 HydrophobicContact CD1-CB 4.1Å; L579-V640 HydrophobicContact CD1-CG1 3.77Å; V626-V640 HydrophobicContact CG2-CB 3.89Å; V626-V640 HydrophobicContact CG2-CG1 4.22Å; V626-V640 HydrophobicContact CG2-CG2 3.74Å; H628-V640 HydrophobicContact CB-CG1 4.09Å; H628-V640 HydrophobicContact CB-CG2 4.05Å; D635-V640 HydrophobicContact CB-CG2 3.77Å; T636-V640 PolarHBondContact O-N 3.28Å; V637-V640 PolarHBondContact O-N 2.84Å; V640-R642 VanDerWaalsContact C-N 3.34Å; V640-R642 PolarHBondContact O-N 2.9Å; V640-K643 PolarHBondContact O-N 2.84Å; V640-Y644 HydrophobicContact CG1-CD2 4.01Å; V640-Y644 HydrophobicContact CG1-CE2 3.54Å; V640-Y644 PolarHBondContact O-N 2.73Å |
| 641 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L579 L611 V637 P638 Y644 K645 W651 L675 | L579-A641 HydrophobicContact CD1-CB 4.11Å; L579-A641 HydrophobicContact CD2-CB 3.87Å; L611-A641 HydrophobicContact CD2-CB 4.16Å; V637-A641 WeakPolarHBondContact O-CB 3.29Å; V637-A641 PolarHBondContact O-N 3.39Å; P638-A641 PolarHBondContact O-N 3.36Å; A641-Y644 PolarHBondContact O-N 3.08Å; A641-K645 WeakPolarHBondContact O-CB 3.46Å; A641-K645 PolarHBondContact O-N 3.29Å; A641-W651 HydrophobicContact CB-CZ2 4.23Å; A641-L675 HydrophobicContact CB-CB 3.95Å; A641-L675 HydrophobicContact CB-CD1 4.13Å |
| 642 | R | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 174.1 | -77.3 | -178 | -171.6 | -74.5 | -1.1 | 112.6 | D605 N609 P638 M639 V640 K645 A646 L675 | D605-R642 PolarHBondContact O-NH2 2.89Å; D605-R642 IonicContact OD1-CZ 3.78Å; D605-R642 IonicContact OD1-NH1 3.44Å; D605-R642 PolarHBondContact OD1-NH1 2.71Å; D605-R642 IonicContact OD1-NH2 2.78Å; D605-R642 PolarHBondContact OD1-NH2 3.09Å; D605-R642 IonicContact OD2-NH1 2.82Å; D605-R642 IonicContact OD2-NH2 3.6Å; N609-R642 PolarHBondContact OD1-NE 3.37Å; N609-R642 VanDerWaalsContact OD1-NE 3.15Å; N609-R642 PolarHBondContact OD1-NH2 3.05Å; P638-R642 WeakPolarHBondContact O-CB 3.26Å; P638-R642 VanDerWaalsContact O-CG 3.32Å; P638-R642 WeakPolarHBondContact O-CG 3.23Å; P638-R642 PolarHBondContact O-N 3.3Å; M639-R642 PolarHBondContact O-N 3.32Å; V640-R642 VanDerWaalsContact C-N 3.34Å; V640-R642 PolarHBondContact O-N 2.9Å; R642-K645 PolarHBondContact O-N 3.48Å; R642-A646 WeakPolarHBondContact O-CB 3.31Å; R642-A646 PolarHBondContact O-N 2.5Å; R642-L675 HydrophobicContact CG-CD1 4.46Å; R642-L675 HydrophobicContact CG-CD2 3.72Å |
| 643 | K | 98.5 | Very high | 98.2 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -51.4 | 174.6 | -74 | 167.2 | 176.4 | 167.5 | 0 | 110.5 | D635 M639 V640 K645 A646 D647 | D635-K643 IonicContact OD2-NZ 3.73Å; D635-K643 PolarHBondContact OD2-NZ 3.42Å; M639-K643 WeakPolarHBondContact O-CG 3.25Å; M639-K643 PolarHBondContact O-N 3.42Å; V640-K643 PolarHBondContact O-N 2.84Å; K643-K645 VanDerWaalsContact C-N 3.34Å; K643-K645 PolarHBondContact O-N 3.34Å; K643-A646 WeakPolarHBondContact O-CB 3.24Å; K643-A646 PolarHBondContact O-N 3.33Å; K643-A646 VanDerWaalsContact O-N 3.11Å; K643-D647 PolarHBondContact O-N 3.05Å |
| 644 | Y | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.7 | -44.5 | 174.8 | -70.8 | -37.4 | 0 | 0 | 0 | 113.1 | P577 L579 H628 R629 P630 V640 A641 A646 D647 G648 I649 W651 | P577-Y644 HydrophobicContact CB-CE2 4.45Å; P577-Y644 HydrophobicContact CG-CD1 4.45Å; P577-Y644 HydrophobicContact CG-CE1 4.1Å; P577-Y644 HydrophobicContact CG-CE2 4.19Å; L579-Y644 HydrophobicContact CD1-CD2 4.22Å; L579-Y644 HydrophobicContact CD1-CE2 4.15Å; H628-Y644 AromaticContact CD2-CD1 3.97Å; H628-Y644 AromaticContact CD2-CE1 3.54Å; H628-Y644 AromaticContact CD2-CZ 3.89Å; H628-Y644 AromaticContact NE2-CD1 3.9Å; H628-Y644 AromaticContact NE2-CE1 3.74Å; R629-Y644 PolarHBondContact N-OH 3.13Å; P630-Y644 HydrophobicContact CG-CE1 3.98Å; V640-Y644 HydrophobicContact CG1-CD2 4.01Å; V640-Y644 HydrophobicContact CG1-CE2 3.54Å; V640-Y644 PolarHBondContact O-N 2.73Å; A641-Y644 PolarHBondContact O-N 3.08Å; Y644-A646 PolarHBondContact O-N 3.16Å; Y644-D647 CarbonylContact O-C 3.36Å; Y644-D647 PolarHBondContact O-N 3.46Å; Y644-G648 PolarHBondContact O-N 3.27Å; Y644-G648 VanDerWaalsContact O-N 3.14Å; Y644-I649 HydrophobicContact CD1-CB 4.1Å; Y644-I649 HydrophobicContact CD1-CD1 4.02Å; Y644-I649 HydrophobicContact CD1-CG2 3.94Å; Y644-I649 HydrophobicContact CG-CB 4.43Å; Y644-I649 HydrophobicContact CG-CG2 4.3Å; Y644-I649 PolarHBondContact O-N 2.81Å; Y644-W651 HydrophobicContact CD2-CB 4.36Å; Y644-W651 HydrophobicContact CD2-CG 4.38Å |
| 645 | K | 97.8 | Very high | 98.3 | Very high | 85 Ų | 85 | 34.7 Ų | 34.7 | 37% | 0.37 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.2 | 178.2 | -179.3 | 176.6 | 178.7 | 0 | 112.4 | A641 R642 K643 D647 G648 H674 | A641-K645 WeakPolarHBondContact O-CB 3.46Å; A641-K645 PolarHBondContact O-N 3.29Å; R642-K645 PolarHBondContact O-N 3.48Å; K643-K645 VanDerWaalsContact C-N 3.34Å; K643-K645 PolarHBondContact O-N 3.34Å; K645-D647 VanDerWaalsContact C-N 3.28Å; K645-D647 PolarHBondContact O-N 3.2Å; K645-G648 PolarHBondContact O-N 2.59Å; K645-H674 VanDerWaalsContact CD-O 3.27Å; K645-H674 WeakPolarHBondContact CD-O 3.34Å; K645-H674 WeakPolarHBondContact CE-O 3.33Å; K645-H674 PolarHBondContact NZ-O 3.37Å |
| 646 | A | 97.7 | Very high | 98.2 | Very high | 86 Ų | 86 | 33.8 Ų | 33.8 | 71% | 0.711 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -63.4 | -37 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R642 K643 Y644 G648 | R642-A646 WeakPolarHBondContact O-CB 3.31Å; R642-A646 PolarHBondContact O-N 2.5Å; K643-A646 WeakPolarHBondContact O-CB 3.24Å; K643-A646 PolarHBondContact O-N 3.33Å; K643-A646 VanDerWaalsContact O-N 3.11Å; Y644-A646 PolarHBondContact O-N 3.16Å; A646-G648 PolarHBondContact O-N 2.75Å |
| 647 | D | 97.4 | Very high | 98.1 | Very high | 103 Ų | 103 | 36 Ų | 36 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | 0.6 | 178.2 | -61.5 | -21.7 | 0 | 0 | 0 | 113.2 | K643 Y644 K645 I649 | K643-D647 PolarHBondContact O-N 3.05Å; Y644-D647 CarbonylContact O-C 3.36Å; Y644-D647 PolarHBondContact O-N 3.46Å; K645-D647 VanDerWaalsContact C-N 3.28Å; K645-D647 PolarHBondContact O-N 3.2Å; D647-I649 VanDerWaalsContact C-N 3.25Å; D647-I649 HydrophobicContact CB-CD1 3.83Å; D647-I649 HydrophobicContact CB-CG1 3.99Å; D647-I649 PolarHBondContact O-N 3.24Å |
| 648 | G | 96 | Very high | 98 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 64% | 0.639 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 16.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y644 K645 A646 | Y644-G648 PolarHBondContact O-N 3.27Å; Y644-G648 VanDerWaalsContact O-N 3.14Å; K645-G648 PolarHBondContact O-N 2.59Å; A646-G648 PolarHBondContact O-N 2.75Å |
| 649 | I | 97.5 | Very high | 97.9 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | trans | -86.5 | 117.5 | -178.3 | -60.8 | 171.4 | 0 | 0 | 0 | 109.4 | P577 P630 Y644 D647 | P577-I649 HydrophobicContact CG-CG2 3.57Å; P630-I649 HydrophobicContact CG-CD1 4.46Å; Y644-I649 HydrophobicContact CD1-CB 4.1Å; Y644-I649 HydrophobicContact CD1-CD1 4.02Å; Y644-I649 HydrophobicContact CD1-CG2 3.94Å; Y644-I649 HydrophobicContact CG-CB 4.43Å; Y644-I649 HydrophobicContact CG-CG2 4.3Å; Y644-I649 PolarHBondContact O-N 2.81Å; D647-I649 VanDerWaalsContact C-N 3.25Å; D647-I649 HydrophobicContact CB-CD1 3.83Å; D647-I649 HydrophobicContact CB-CG1 3.99Å; D647-I649 PolarHBondContact O-N 3.24Å | ||
| 650 | N | 97.9 | Very high | 97.9 | Very high | 52 Ų | 52 | 33 Ų | 33 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | trans | -76.1 | 141.4 | 170.4 | -66.3 | -50.1 | 0 | 0 | 0 | 109.9 | M576 P577 R678 | M576-N650 WeakPolarHBondContact CB-O 3.4Å; M576-N650 HydrophobicContact CG-CB 4.13Å; M576-N650 WeakPolarHBondContact CG-O 3.32Å; M576-N650 HydrophobicContact SD-CB 4.14Å; P577-N650 WeakPolarHBondContact CD-O 3.38Å; N650-R678 HydrophobicContact CB-CG 3.72Å; N650-R678 PolarHBondContact OD1-NE 2.94Å; N650-R678 PolarHBondContact OD1-NH2 2.78Å | ||
| 651 | W | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 164.6 | 178.9 | 54.6 | -100 | 0 | 0 | 0 | 112.6 | P577 L579 L611 F612 A641 Y644 V653 P672 L675 G677 R678 | P577-W651 HydrophobicContact CG-CB 4.28Å; P577-W651 WeakPolarHBondContact O-CA 3.41Å; P577-W651 WeakPolarHBondContact O-CB 3.33Å; L579-W651 HydrophobicContact CB-CB 4.33Å; L579-W651 HydrophobicContact CB-CD2 3.94Å; L579-W651 HydrophobicContact CB-CE3 3.79Å; L579-W651 HydrophobicContact CB-CG 4.2Å; L579-W651 HydrophobicContact CB-CZ3 4.42Å; L579-W651 HydrophobicContact CD2-CD2 3.9Å; L579-W651 HydrophobicContact CD2-CE3 3.85Å; L579-W651 HydrophobicContact CD2-CH2 3.73Å; L579-W651 HydrophobicContact CD2-CZ2 3.79Å; L579-W651 HydrophobicContact CD2-CZ3 3.8Å; L579-W651 HydrophobicContact CG-CD2 4.48Å; L579-W651 HydrophobicContact CG-CE3 4.48Å; L611-W651 HydrophobicContact CD2-CH2 4.2Å; L611-W651 HydrophobicContact CD2-CZ2 4.18Å; F612-W651 HydrophobicContact CE2-CH2 4.46Å; A641-W651 HydrophobicContact CB-CZ2 4.23Å; Y644-W651 HydrophobicContact CD2-CB 4.36Å; Y644-W651 HydrophobicContact CD2-CG 4.38Å; W651-V653 HydrophobicContact CE3-CG2 4.16Å; W651-V653 HydrophobicContact CZ3-CG2 3.68Å; W651-P672 HydrophobicContact CH2-CB 3.71Å; W651-P672 WeakPolarHBondContact CZ2-O 3.42Å; W651-P672 HydrophobicContact CZ3-CB 4.44Å; W651-L675 HydrophobicContact CZ2-CB 4.34Å; W651-L675 PolarHBondContact NE1-O 3.26Å; W651-G677 VanDerWaalsContact CD2-CA 3.45Å; W651-G677 VanDerWaalsContact CZ2-N 3.26Å; W651-R678 PolarHBondContact O-N 2.86Å |
| 652 | C | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 169.4 | 171.2 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | M576 P577 L579 A679 | M576-C652 HydrophobicContact CE-CB 4.13Å; P577-C652 PolarHBondContact O-N 3.1Å; P577-C652 VanDerWaalsContact O-N 3.12Å; L579-C652 PolarHBondContact N-O 3.28Å; C652-A679 WeakPolarHBondContact CA-O 3.27Å; C652-A679 HydrophobicContact CB-CB 4.14Å; C652-A679 WeakPolarHBondContact CB-O 3.46Å |
| 653 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.8 | 172.2 | 167.7 | 0 | 0 | 0 | 0 | 108.7 | I580 I582 F612 W651 A679 I680 I681 | I580-V653 HydrophobicContact CG2-CG1 4.16Å; I580-V653 HydrophobicContact CG2-CG2 3.91Å; I582-V653 HydrophobicContact CD1-CG1 3.64Å; I582-V653 HydrophobicContact CG1-CG1 4.33Å; F612-V653 HydrophobicContact CE2-CG2 3.74Å; F612-V653 HydrophobicContact CZ-CG2 4.01Å; W651-V653 HydrophobicContact CE3-CG2 4.16Å; W651-V653 HydrophobicContact CZ3-CG2 3.68Å; V653-A679 PolarHBondContact N-O 3.22Å; V653-I680 HydrophobicContact CB-CD1 3.72Å; V653-I680 HydrophobicContact CB-CG2 4.5Å; V653-I680 HydrophobicContact CG1-CD1 4.49Å; V653-I680 HydrophobicContact CG1-CG2 4.5Å; V653-I680 HydrophobicContact CG2-CD1 3.95Å; V653-I681 PolarHBondContact O-N 3.03Å |
| 654 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130 | 168.9 | -52 | -57.2 | 0 | 0 | 0 | 108.1 | I578 I580 K581 I582 I681 F703 Y709 I712 | I578-I654 HydrophobicContact CD1-CG1 3.95Å; I578-I654 HydrophobicContact CG1-CG1 4.1Å; I578-I654 HydrophobicContact CG2-CG1 4Å; I580-I654 PolarHBondContact O-N 3.14Å; K581-I654 CarbonylContact C-O 3.56Å; K581-I654 WeakPolarHBondContact CA-O 3.34Å; K581-I654 HydrophobicContact CB-CB 4.2Å; K581-I654 HydrophobicContact CD-CB 4.28Å; K581-I654 HydrophobicContact CD-CG2 4.09Å; K581-I654 HydrophobicContact CG-CB 3.94Å; K581-I654 HydrophobicContact CG-CG2 4.02Å; I582-I654 PolarHBondContact N-O 3.4Å; I654-I681 CarbonylContact C-O 3.58Å; I654-I681 VanDerWaalsContact CA-O 3.27Å; I654-I681 WeakPolarHBondContact CA-O 3.12Å; I654-I681 HydrophobicContact CD1-CB 3.85Å; I654-I681 HydrophobicContact CD1-CD1 3.97Å; I654-I681 HydrophobicContact CD1-CG1 4.32Å; I654-I681 HydrophobicContact CD1-CG2 4.48Å; I654-F703 HydrophobicContact CG2-CE2 4.41Å; I654-F703 HydrophobicContact CG2-CZ 4.04Å; I654-Y709 HydrophobicContact CG2-CD2 3.75Å; I654-Y709 HydrophobicContact CG2-CE2 3.85Å; I654-I712 HydrophobicContact CD1-CD1 3.91Å; I654-I712 HydrophobicContact CD1-CG2 4.41Å; I654-I712 HydrophobicContact CG1-CD1 4.46Å; I654-I712 HydrophobicContact CG1-CG2 4Å |
| 655 | G | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -136.2 | 169.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I681 V682 K683 Y709 | G655-I681 PolarHBondContact N-O 3.05Å; G655-V682 VanDerWaalsContact O-CA 3.27Å; G655-V682 WeakPolarHBondContact O-CA 3.4Å; G655-K683 PolarHBondContact O-N 3.25Å; G655-Y709 WeakPolarHBondContact O-CD2 3.5Å | ||
| 656 | D | 96.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 15% | 0.15 | 17% | 0.165 | C | C | . | . | trans | -90.3 | -143.1 | -175.1 | -149.5 | -20.8 | 0 | 0 | 0 | 111.4 | G584 K683 | G584-D656 WeakPolarHBondContact CA-OD2 3.31Å; G584-D656 PolarHBondContact N-OD2 3.46Å; G584-D656 WeakPolarHBondContact O-CB 3.38Å; D656-K683 PolarHBondContact O-N 3.02Å; D656-K683 VanDerWaalsContact OD1-CD 3.29Å; D656-K683 WeakPolarHBondContact OD1-CD 3.29Å; D656-K683 WeakPolarHBondContact OD1-CE 3.22Å; D656-K683 IonicContact OD1-NZ 2.77Å; D656-K683 PolarHBondContact OD1-NZ 2.65Å | ||
| 657 | E | 96.3 | Very high | 96.6 | Very high | 93 Ų | 93 | 21.3 Ų | 21.3 | 44% | 0.435 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -84.4 | 153 | 179.1 | -57.7 | -172.7 | 118.5 | 0 | 0 | 114.2 | K251 Y659 K683 S684 | K251-E657 IonicContact NZ-OE2 3.69Å; K251-E657 PolarHBondContact NZ-OE2 2.82Å; E657-Y659 PolarHBondContact O-N 3.29Å; E657-K683 HydrophobicContact CG-CB 3.92Å; E657-K683 HydrophobicContact CG-CD 3.87Å; E657-S684 WeakPolarHBondContact CA-OG 3.25Å |
| 658 | N | 95.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.027 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 49.1 | 41 | 176.7 | -162 | 33.8 | 0 | 0 | 0 | 113.3 | K251 G660 E661 S684 | K251-N658 HydrophobicContact CD-CB 4.12Å; K251-N658 HydrophobicContact CG-CB 3.92Å; N658-G660 PolarHBondContact O-N 3.07Å; N658-E661 WeakPolarHBondContact ND2-CG 3.32Å; N658-E661 PolarHBondContact ND2-OE2 3.22Å; N658-E661 VanDerWaalsContact ND2-OE2 3.13Å; N658-E661 WeakPolarHBondContact O-CB 3.09Å; N658-E661 PolarHBondContact O-N 3.45Å; N658-S684 PolarHBondContact N-O 2.89Å; N658-S684 VanDerWaalsContact N-O 3.08Å; N658-S684 PolarHBondContact N-OG 3.35Å |
| 659 | Y | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -62.3 | 133.3 | -176.9 | 178.9 | -87 | 0 | 0 | 0 | 111.3 | I582 C586 I591 F612 E657 I680 V682 S684 F685 A686 H689 | I582-Y659 HydrophobicContact CD1-CE2 3.75Å; C586-Y659 HydrophobicContact CB-CD2 3.68Å; C586-Y659 HydrophobicContact CB-CE2 3.95Å; I591-Y659 HydrophobicContact CD1-CD1 4.41Å; I591-Y659 HydrophobicContact CD1-CE1 3.68Å; I591-Y659 HydrophobicContact CD1-CE2 4.25Å; F612-Y659 HydrophobicContact CE1-CE2 4.46Å; F612-Y659 WeakPolarHBondContact CE1-OH 3.46Å; F612-Y659 WeakPolarHBondContact CZ-OH 3.33Å; E657-Y659 PolarHBondContact O-N 3.29Å; Y659-I680 HydrophobicContact CD1-CG2 4Å; Y659-I680 HydrophobicContact CE1-CG2 3.49Å; Y659-I680 VanDerWaalsContact CE1-CG2 3.49Å; Y659-I680 HydrophobicContact CE2-CG2 4.45Å; Y659-V682 HydrophobicContact CD1-CG1 4.18Å; Y659-V682 HydrophobicContact CD2-CG1 4.07Å; Y659-V682 HydrophobicContact CG-CG1 3.75Å; Y659-S684 PolarHBondContact N-O 3.49Å; Y659-F685 AromaticContact CD1-CD1 3.79Å; Y659-F685 HydrophobicContact CD1-CD1 3.79Å; Y659-F685 AromaticContact CD1-CE1 3.66Å; Y659-F685 HydrophobicContact CD1-CE1 3.66Å; Y659-F685 HydrophobicContact CE1-CE1 4.25Å; Y659-F685 HydrophobicContact CG-CE1 4.47Å; Y659-A686 PolarHBondContact O-N 2.88Å; Y659-H689 AromaticContact CD1-CD2 3.64Å; Y659-H689 AromaticContact CD1-NE2 3.83Å; Y659-H689 AromaticContact CE1-CD2 3.6Å; Y659-H689 AromaticContact CE1-NE2 3.25Å; Y659-H689 VanDerWaalsContact CE1-NE2 3.25Å; Y659-H689 WeakPolarHBondContact CE1-NE2 3.35Å |
| 660 | G | 97.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 11.1 Ų | 11.1 | 3% | 0.031 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 23.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C586 T588 N658 A686 | C586-G660 PolarHBondContact O-N 3.29Å; T588-G660 WeakPolarHBondContact CG2-O 3.34Å; N658-G660 PolarHBondContact O-N 3.07Å; G660-A686 WeakPolarHBondContact O-CB 3.45Å |
| 661 | E | 94.5 | Very high | 96.9 | Very high | 13 Ų | 13 | 8.6 Ų | 8.6 | 6% | 0.061 | 5% | 0.049 | C | C | . | . | B | Isolated β-bridge | trans | -54 | 142.4 | 173.6 | -175 | -173.6 | 140.8 | 0 | 0 | 111.9 | F470 K585 T587 T588 N658 | F470-E661 WeakPolarHBondContact CE1-OE1 3.36Å; F470-E661 HydrophobicContact CZ-CG 4.35Å; F470-E661 WeakPolarHBondContact CZ-OE1 3.36Å; K585-E661 VanDerWaalsContact CE-CD 3.45Å; K585-E661 WeakPolarHBondContact CE-OE1 3.39Å; K585-E661 WeakPolarHBondContact CE-OE2 3.42Å; K585-E661 IonicContact NZ-OE1 3.37Å; K585-E661 PolarHBondContact NZ-OE1 3.42Å; K585-E661 IonicContact NZ-OE2 2.61Å; K585-E661 PolarHBondContact NZ-OE2 2.88Å; T587-E661 CarbonylContact C-O 3.58Å; T587-E661 VanDerWaalsContact CA-O 3.22Å; T587-E661 WeakPolarHBondContact CA-O 3.44Å; T587-E661 VanDerWaalsContact CB-O 3.27Å; T587-E661 WeakPolarHBondContact CB-O 3.15Å; T587-E661 HydrophobicContact CG2-CB 4.34Å; T588-E661 PolarHBondContact N-O 3.01Å; T588-E661 PolarHBondContact OG1-O 3.39Å; N658-E661 WeakPolarHBondContact ND2-CG 3.32Å; N658-E661 PolarHBondContact ND2-OE2 3.22Å; N658-E661 VanDerWaalsContact ND2-OE2 3.13Å; N658-E661 WeakPolarHBondContact O-CB 3.09Å; N658-E661 PolarHBondContact O-N 3.45Å |
| 662 | G | 91.6 | Very high | 96.9 | Very high | 21 Ų | 21 | 8.6 Ų | 8.6 | 22% | 0.216 | 5% | 0.049 | C | C | . | . | S | Bend | trans | 107 | -117.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115 | R468 | R468-G662 VanDerWaalsContact NH1-C 3.26Š|
| 663 | S | 91.1 | Very high | 96.9 | Very high | 10 Ų | 10 | 9.2 Ų | 9.2 | 7% | 0.07 | 5% | 0.051 | C | C | . | . | trans | -69.2 | 148 | -168.2 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | T588 R665 | T588-S663 WeakPolarHBondContact CG2-O 3.18Å; T588-S663 WeakPolarHBondContact OG1-CB 3.37Å; T588-S663 PolarHBondContact OG1-N 3.21Å; T588-S663 PolarHBondContact OG1-O 3.01Å; T588-S663 VanDerWaalsContact OG1-O 3.13Å; S663-R665 PolarHBondContact O-N 3.5Å; S663-R665 PolarHBondContact OG-NE 3.09Å; S663-R665 VanDerWaalsContact OG-NE 3.16Å; S663-R665 PolarHBondContact OG-NH2 3.49Å | ||
| 664 | S | 94.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | trans | -73.1 | -2.9 | -178.9 | 60.1 | 0 | 0 | 0 | 0 | 115.3 | T184 D185 S186 V201 E666 N692 | T184-S664 PolarHBondContact O-OG 3.05Å; D185-S664 WeakPolarHBondContact CA-OG 3.5Å; D185-S664 PolarHBondContact N-OG 2.67Å; S186-S664 PolarHBondContact N-OG 3.31Å; V201-S664 WeakPolarHBondContact O-CB 3.23Å; S664-E666 PolarHBondContact O-N 3.33Å; S664-E666 VanDerWaalsContact O-N 3.13Å; S664-N692 PolarHBondContact O-ND2 2.81Å; S664-N692 VanDerWaalsContact O-ND2 3.07Å | ||
| 665 | R | 94.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 11 Ų | 11 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | trans | -49.5 | 116.3 | -171 | 66.3 | -168.8 | 64.2 | 164.1 | 6.4 | 112.6 | R473 T588 D589 S592 S663 H667 A668 | R473-R665 VanDerWaalsContact NH1-NH2 3.12Å; T588-R665 HydrophobicContact CG2-CG 4.4Å; D589-R665 VanDerWaalsContact CG-NH1 3.34Å; D589-R665 IonicContact OD1-CZ 3.79Å; D589-R665 VanDerWaalsContact OD1-CZ 3.31Å; D589-R665 IonicContact OD1-NH1 2.79Å; D589-R665 PolarHBondContact OD1-NH1 3.06Å; D589-R665 IonicContact OD1-NH2 2.89Å; D589-R665 PolarHBondContact OD1-NH2 3.23Å; D589-R665 IonicContact OD2-CZ 3.57Å; D589-R665 IonicContact OD2-NH1 2.83Å; D589-R665 IonicContact OD2-NH2 3.65Å; D589-R665 PolarHBondContact OD2-NH2 3.27Å; S592-R665 VanDerWaalsContact O-CD 3.29Å; S592-R665 WeakPolarHBondContact O-CD 3.23Å; S592-R665 PolarHBondContact O-NH1 2.68Å; S663-R665 PolarHBondContact O-N 3.5Å; S663-R665 PolarHBondContact OG-NE 3.09Å; S663-R665 VanDerWaalsContact OG-NE 3.16Å; S663-R665 PolarHBondContact OG-NH2 3.49Å; R665-H667 PolarHBondContact O-N 3.4Å; R665-A668 HydrophobicContact CG-CB 4.25Å; R665-A668 PolarHBondContact O-N 2.85Å | ||
| 666 | E | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -16.4 | 178 | 65.3 | -178.7 | 155.8 | 0 | 0 | 113 | M98 Q102 G203 A204 S664 A668 A669 L670 N692 | M98-E666 WeakPolarHBondContact CB-OE1 3.24Å; M98-E666 HydrophobicContact CG-CG 4.31Å; M98-E666 VanDerWaalsContact CG-OE1 3.26Å; M98-E666 WeakPolarHBondContact CG-OE1 3.37Å; Q102-E666 PolarHBondContact NE2-OE1 3.11Å; Q102-E666 PolarHBondContact NE2-OE2 3.45Å; G203-E666 WeakPolarHBondContact CA-OE1 3.25Å; G203-E666 WeakPolarHBondContact CA-OE2 3.35Å; G203-E666 PolarHBondContact N-OE2 2.8Å; A204-E666 PolarHBondContact N-OE2 3.02Å; S664-E666 PolarHBondContact O-N 3.33Å; S664-E666 VanDerWaalsContact O-N 3.13Å; E666-A668 PolarHBondContact O-N 2.8Å; E666-A669 WeakPolarHBondContact O-CA 3.42Å; E666-A669 WeakPolarHBondContact O-CB 3.46Å; E666-A669 PolarHBondContact O-N 2.99Å; E666-L670 HydrophobicContact CG-CD1 3.83Å; E666-L670 PolarHBondContact O-N 2.93Å; E666-N692 WeakPolarHBondContact CA-ND2 3.42Å |
| 667 | H | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.5 | -32.3 | 174.3 | -51.4 | 79.9 | 0 | 0 | 0 | 112.4 | R601 I607 R665 A669 L670 E671 | R601-H667 WeakPolarHBondContact CD-CE1 3.4Å; R601-H667 PolarHBondContact NH1-ND1 3.35Å; R601-H667 PolarHBondContact O-NE2 2.82Å; I607-H667 HydrophobicContact CD1-CB 4.46Å; R665-H667 PolarHBondContact O-N 3.4Å; H667-A669 PolarHBondContact O-N 2.79Å; H667-L670 PolarHBondContact O-N 2.77Å; H667-E671 HydrophobicContact CB-CG 4.39Å; H667-E671 WeakPolarHBondContact CB-OE1 3.34Å; H667-E671 WeakPolarHBondContact O-CB 3.37Å; H667-E671 WeakPolarHBondContact O-CG 3.43Å; H667-E671 PolarHBondContact O-N 2.66Å |
| 668 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.5 | -19.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T588 I591 R665 E666 P672 H689 | T588-A668 HydrophobicContact CG2-CB 3.95Å; I591-A668 HydrophobicContact CB-CB 4.06Å; I591-A668 HydrophobicContact CD1-CB 4.42Å; I591-A668 HydrophobicContact CG2-CB 3.78Å; R665-A668 HydrophobicContact CG-CB 4.25Å; R665-A668 PolarHBondContact O-N 2.85Å; E666-A668 PolarHBondContact O-N 2.8Å; A668-P672 WeakPolarHBondContact O-CD 3.45Å; A668-P672 WeakPolarHBondContact O-CG 3.41Å; A668-H689 PolarHBondContact O-CE1 3.38Å |
| 669 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -102.3 | -36.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E666 H667 R673 N692 L693 Q696 | E666-A669 WeakPolarHBondContact O-CA 3.42Å; E666-A669 WeakPolarHBondContact O-CB 3.46Å; E666-A669 PolarHBondContact O-N 2.99Å; H667-A669 PolarHBondContact O-N 2.79Å; A669-R673 WeakPolarHBondContact O-CB 3.27Å; A669-R673 PolarHBondContact O-N 3.02Å; A669-N692 VanDerWaalsContact CB-C 3.45Å; A669-N692 HydrophobicContact CB-CB 3.74Å; A669-N692 WeakPolarHBondContact CB-O 3.16Å; A669-L693 HydrophobicContact CB-CD2 3.88Å; A669-L693 HydrophobicContact CB-CG 4.21Å; A669-Q696 HydrophobicContact CB-CB 4.48Å; A669-Q696 HydrophobicContact CB-CG 3.97Å |
| 670 | L | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 7.9 Ų | 7.9 | 1% | 0.01 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 178 | -69.6 | 163.4 | 0 | 0 | 0 | 112.4 | M98 F565 L604 E666 H667 R673 H674 Q696 | M98-L670 HydrophobicContact CE-CD1 4.43Å; M98-L670 HydrophobicContact CG-CD1 3.48Å; M98-L670 VanDerWaalsContact CG-CD1 3.48Å; M98-L670 HydrophobicContact SD-CD1 3.91Å; F565-L670 HydrophobicContact CE2-CD2 3.78Å; F565-L670 HydrophobicContact CZ-CD2 3.94Å; L604-L670 HydrophobicContact CD1-CB 3.55Å; L604-L670 HydrophobicContact CD2-CB 4.37Å; E666-L670 HydrophobicContact CG-CD1 3.83Å; E666-L670 PolarHBondContact O-N 2.93Å; H667-L670 PolarHBondContact O-N 2.77Å; L670-R673 PolarHBondContact O-N 3.21Å; L670-H674 WeakPolarHBondContact O-CB 3.26Å; L670-H674 PolarHBondContact O-N 2.9Å; L670-Q696 HydrophobicContact CD2-CG 3.79Å; L670-Q696 VanDerWaalsContact CD2-OE1 3.24Å; L670-Q696 HydrophobicContact CG-CG 4.03Å |
| 671 | E | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68 | -50 | -176 | -64.2 | 172.8 | -127.9 | 0 | 0 | 112.6 | S592 L604 I607 S608 N610 L611 H667 R673 H674 L675 | S592-E671 WeakPolarHBondContact CB-OE1 3.47Å; S592-E671 PolarHBondContact OG-OE1 3.47Å; L604-E671 HydrophobicContact CD1-CG 4.28Å; I607-E671 HydrophobicContact CG2-CG 4.12Å; S608-E671 WeakPolarHBondContact CA-OE2 3.35Å; N610-E671 PolarHBondContact OD1-OE1 3.28Å; N610-E671 PolarHBondContact OD1-OE2 3.24Å; L611-E671 HydrophobicContact CD1-CB 4.17Å; L611-E671 PolarHBondContact N-OE2 3.35Å; H667-E671 HydrophobicContact CB-CG 4.39Å; H667-E671 WeakPolarHBondContact CB-OE1 3.34Å; H667-E671 WeakPolarHBondContact O-CB 3.37Å; H667-E671 WeakPolarHBondContact O-CG 3.43Å; H667-E671 PolarHBondContact O-N 2.66Å; E671-R673 VanDerWaalsContact C-N 3.25Å; E671-R673 PolarHBondContact O-N 2.89Å; E671-H674 PolarHBondContact O-N 3.02Å; E671-L675 PolarHBondContact O-N 3.41Å |
| 672 | P | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -53.2 | -45.5 | 170.9 | -23.6 | 29.4 | 0 | 0 | 0 | 112.1 | L611 F612 W651 A668 H674 L675 G676 G677 M698 | L611-P672 HydrophobicContact CD1-CB 4.39Å; L611-P672 HydrophobicContact CD1-CG 3.7Å; F612-P672 HydrophobicContact CE2-CG 4.5Å; F612-P672 HydrophobicContact CZ-CG 4.37Å; W651-P672 HydrophobicContact CH2-CB 3.71Å; W651-P672 WeakPolarHBondContact CZ2-O 3.42Å; W651-P672 HydrophobicContact CZ3-CB 4.44Å; A668-P672 WeakPolarHBondContact O-CD 3.45Å; A668-P672 WeakPolarHBondContact O-CG 3.41Å; P672-H674 PolarHBondContact O-N 3.47Å; P672-L675 CarbonylContact O-C 3.6Å; P672-L675 PolarHBondContact O-N 2.82Å; P672-G676 PolarHBondContact O-N 3.36Å; P672-G677 WeakPolarHBondContact O-CA 3.44Å; P672-G677 PolarHBondContact O-N 3.28Å; P672-M698 HydrophobicContact CB-CE 3.83Å; P672-M698 HydrophobicContact CB-SD 3.73Å |
| 673 | R | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 8.4 Ų | 8.4 | 5% | 0.049 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | -179.3 | -177.7 | 64.1 | 177.2 | 100.4 | -4.4 | 112.3 | F565 K566 A669 L670 E671 L675 G676 Q696 M698 G763 | F565-R673 HydrophobicContact CD1-CG 3.84Å; F565-R673 HydrophobicContact CD2-CG 3.83Å; F565-R673 HydrophobicContact CE1-CB 4.38Å; F565-R673 HydrophobicContact CE1-CG 3.77Å; F565-R673 HydrophobicContact CE2-CB 4.4Å; F565-R673 HydrophobicContact CE2-CG 3.75Å; F565-R673 HydrophobicContact CG-CG 3.88Å; F565-R673 HydrophobicContact CZ-CB 4.12Å; F565-R673 HydrophobicContact CZ-CG 3.72Å; K566-R673 PolarHBondContact O-NH2 2.88Å; A669-R673 WeakPolarHBondContact O-CB 3.27Å; A669-R673 PolarHBondContact O-N 3.02Å; L670-R673 PolarHBondContact O-N 3.21Å; E671-R673 VanDerWaalsContact C-N 3.25Å; E671-R673 PolarHBondContact O-N 2.89Å; R673-L675 VanDerWaalsContact C-N 3.33Å; R673-G676 PolarHBondContact O-N 3.42Å; R673-Q696 HydrophobicContact CB-CB 4.33Å; R673-Q696 WeakPolarHBondContact CD-O 3.24Å; R673-Q696 HydrophobicContact CG-CB 4.35Å; R673-Q696 WeakPolarHBondContact CG-O 3.18Å; R673-Q696 PolarHBondContact NE-O 2.84Å; R673-Q696 VanDerWaalsContact NE-O 3.1Å; R673-M698 HydrophobicContact CB-CG 4.04Å; R673-M698 HydrophobicContact CB-SD 3.97Å; R673-M698 HydrophobicContact CG-CG 4.41Å; R673-G763 PolarHBondContact NH2-O 3.05Å |
| 674 | H | 98.5 | Very high | 98.1 | Very high | 36 Ų | 36 | 9.8 Ų | 9.8 | 17% | 0.167 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 178.5 | -179.5 | 66.4 | 0 | 0 | 0 | 111.6 | F565 L604 D605 S608 K645 L670 E671 P672 G676 | F565-H674 HydrophobicContact CE1-CB 4.23Å; L604-H674 HydrophobicContact CD1-CB 4.46Å; L604-H674 HydrophobicContact CD2-CB 4.02Å; L604-H674 HydrophobicContact CG-CB 4.13Å; D605-H674 IonicContact OD1-CD2 3.78Å; D605-H674 IonicContact OD1-CE1 2.76Å; D605-H674 IonicContact OD1-NE2 2.67Å; D605-H674 PolarHBondContact OD1-NE2 3.37Å; S608-H674 PolarHBondContact OG-CD2 3.32Å; K645-H674 VanDerWaalsContact CD-O 3.27Å; K645-H674 WeakPolarHBondContact CD-O 3.34Å; K645-H674 WeakPolarHBondContact CE-O 3.33Å; K645-H674 PolarHBondContact NZ-O 3.37Å; L670-H674 WeakPolarHBondContact O-CB 3.26Å; L670-H674 PolarHBondContact O-N 2.9Å; E671-H674 PolarHBondContact O-N 3.02Å; P672-H674 PolarHBondContact O-N 3.47Å; H674-G676 VanDerWaalsContact C-N 3.28Å; H674-G676 PolarHBondContact O-N 3.46Å |
| 675 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 17.6 | 179.8 | -63.5 | -170.4 | 0 | 0 | 0 | 114.4 | S608 L611 A641 R642 W651 E671 P672 R673 | S608-L675 WeakPolarHBondContact O-CD1 3.42Å; L611-L675 HydrophobicContact CB-CD1 4.18Å; L611-L675 HydrophobicContact CD2-CB 4.11Å; L611-L675 HydrophobicContact CD2-CD1 3.66Å; L611-L675 HydrophobicContact CD2-CG 4.35Å; A641-L675 HydrophobicContact CB-CB 3.95Å; A641-L675 HydrophobicContact CB-CD1 4.13Å; R642-L675 HydrophobicContact CG-CD1 4.46Å; R642-L675 HydrophobicContact CG-CD2 3.72Å; W651-L675 HydrophobicContact CZ2-CB 4.34Å; W651-L675 PolarHBondContact NE1-O 3.26Å; E671-L675 PolarHBondContact O-N 3.41Å; P672-L675 CarbonylContact O-C 3.6Å; P672-L675 PolarHBondContact O-N 2.82Å; R673-L675 VanDerWaalsContact C-N 3.33Å |
| 676 | G | 98 | Very high | 98.5 | Very high | 11 Ų | 11 | 10.9 Ų | 10.9 | 11% | 0.113 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 3.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P672 R673 H674 | P672-G676 PolarHBondContact O-N 3.36Å; R673-G676 PolarHBondContact O-N 3.42Å; H674-G676 VanDerWaalsContact C-N 3.28Å; H674-G676 PolarHBondContact O-N 3.46Å |
| 677 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 146.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W651 P672 | W651-G677 VanDerWaalsContact CD2-CA 3.45Å; W651-G677 VanDerWaalsContact CZ2-N 3.26Å; P672-G677 WeakPolarHBondContact O-CA 3.44Å; P672-G677 PolarHBondContact O-N 3.28Å |
| 678 | R | 98.6 | Very high | 98.4 | Very high | 52 Ų | 52 | 13.9 Ų | 13.9 | 20% | 0.196 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | -37.5 | -178.4 | -61.2 | -58.8 | 178.8 | 164.6 | 7.4 | 114.7 | L573 M576 N650 W651 L699 | L573-R678 HydrophobicContact CD1-CB 3.7Å; L573-R678 HydrophobicContact CD1-CG 4.33Å; L573-R678 HydrophobicContact CD2-CB 4.36Å; L573-R678 HydrophobicContact CD2-CG 4.09Å; M576-R678 HydrophobicContact SD-CB 3.98Å; M576-R678 HydrophobicContact SD-CG 4.37Å; N650-R678 HydrophobicContact CB-CG 3.72Å; N650-R678 PolarHBondContact OD1-NE 2.94Å; N650-R678 PolarHBondContact OD1-NH2 2.78Å; W651-R678 PolarHBondContact O-N 2.86Å; R678-L699 PolarHBondContact O-N 2.73Å |
| 679 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M576 C652 V653 I681 L699 L720 | M576-A679 HydrophobicContact CE-CB 4.47Å; C652-A679 WeakPolarHBondContact CA-O 3.27Å; C652-A679 HydrophobicContact CB-CB 4.14Å; C652-A679 WeakPolarHBondContact CB-O 3.46Å; V653-A679 PolarHBondContact N-O 3.22Å; A679-I681 HydrophobicContact CB-CG1 4.38Å; A679-L699 WeakPolarHBondContact CA-O 3.1Å; A679-L699 HydrophobicContact CB-CB 4.11Å; A679-L720 HydrophobicContact CB-CD1 3.62Å |
| 680 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119 | 169.1 | -51.9 | -62.7 | 0 | 0 | 0 | 105.6 | V653 Y659 V682 F685 L693 M698 L699 L701 | V653-I680 HydrophobicContact CB-CD1 3.72Å; V653-I680 HydrophobicContact CB-CG2 4.5Å; V653-I680 HydrophobicContact CG1-CD1 4.49Å; V653-I680 HydrophobicContact CG1-CG2 4.5Å; V653-I680 HydrophobicContact CG2-CD1 3.95Å; Y659-I680 HydrophobicContact CD1-CG2 4Å; Y659-I680 HydrophobicContact CE1-CG2 3.49Å; Y659-I680 VanDerWaalsContact CE1-CG2 3.49Å; Y659-I680 HydrophobicContact CE2-CG2 4.45Å; I680-V682 HydrophobicContact CG2-CG1 3.79Å; I680-F685 HydrophobicContact CB-CE1 4.27Å; I680-F685 HydrophobicContact CB-CZ 4.17Å; I680-F685 HydrophobicContact CG2-CE1 3.84Å; I680-F685 HydrophobicContact CG2-CZ 4.03Å; I680-F685 WeakPolarHBondContact O-CZ 3.26Å; I680-L693 HydrophobicContact CB-CD1 4.15Å; I680-L693 HydrophobicContact CG1-CD1 3.98Å; I680-L693 HydrophobicContact CG1-CD2 3.87Å; I680-M698 HydrophobicContact CD1-CE 3.88Å; I680-M698 HydrophobicContact CG1-CE 3.87Å; I680-L699 PolarHBondContact N-O 3.44Å; I680-L701 PolarHBondContact O-N 3.04Å |
| 681 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.3 | -172.7 | -49 | 173.4 | 0 | 0 | 0 | 108.5 | V653 I654 G655 A679 L701 F703 I718 L720 L748 | V653-I681 PolarHBondContact O-N 3.03Å; I654-I681 CarbonylContact C-O 3.58Å; I654-I681 VanDerWaalsContact CA-O 3.27Å; I654-I681 WeakPolarHBondContact CA-O 3.12Å; I654-I681 HydrophobicContact CD1-CB 3.85Å; I654-I681 HydrophobicContact CD1-CD1 3.97Å; I654-I681 HydrophobicContact CD1-CG1 4.32Å; I654-I681 HydrophobicContact CD1-CG2 4.48Å; G655-I681 PolarHBondContact N-O 3.05Å; A679-I681 HydrophobicContact CB-CG1 4.38Å; I681-L701 CarbonylContact C-O 3.23Å; I681-L701 VanDerWaalsContact CA-O 3.31Å; I681-L701 WeakPolarHBondContact CA-O 3.41Å; I681-L701 HydrophobicContact CG1-CB 4.33Å; I681-L701 HydrophobicContact CG1-CD1 4.49Å; I681-L701 HydrophobicContact CG2-CB 4.49Å; I681-F703 HydrophobicContact CB-CZ 4.5Å; I681-F703 HydrophobicContact CG2-CD1 4.24Å; I681-F703 HydrophobicContact CG2-CE1 3.69Å; I681-F703 HydrophobicContact CG2-CE2 4.1Å; I681-F703 HydrophobicContact CG2-CZ 3.61Å; I681-I718 HydrophobicContact CD1-CG2 3.91Å; I681-L720 HydrophobicContact CD1-CD2 4.31Å; I681-L748 HydrophobicContact CD1-CD1 3.88Å; I681-L748 HydrophobicContact CG1-CD1 4.18Å; I681-L748 HydrophobicContact CG2-CD1 3.76Å; I681-L748 HydrophobicContact CG2-CD2 3.6Å; I681-L748 HydrophobicContact CG2-CG 4.32Å |
| 682 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 172.5 | -168.1 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | G655 Y659 I680 S684 F685 L701 T702 F703 | G655-V682 VanDerWaalsContact O-CA 3.27Å; G655-V682 WeakPolarHBondContact O-CA 3.4Å; Y659-V682 HydrophobicContact CD1-CG1 4.18Å; Y659-V682 HydrophobicContact CD2-CG1 4.07Å; Y659-V682 HydrophobicContact CG-CG1 3.75Å; I680-V682 HydrophobicContact CG2-CG1 3.79Å; V682-S684 WeakPolarHBondContact CG2-O 3.35Å; V682-F685 HydrophobicContact CB-CZ 4.38Å; V682-F685 HydrophobicContact CG1-CE1 4.1Å; V682-F685 HydrophobicContact CG1-CZ 4.08Å; V682-F685 HydrophobicContact CG2-CD1 3.94Å; V682-F685 HydrophobicContact CG2-CD2 3.52Å; V682-F685 HydrophobicContact CG2-CE1 3.73Å; V682-F685 HydrophobicContact CG2-CE2 3.29Å; V682-F685 HydrophobicContact CG2-CG 3.82Å; V682-F685 HydrophobicContact CG2-CZ 3.39Å; V682-L701 PolarHBondContact N-O 2.73Å; V682-T702 HydrophobicContact CG2-CG2 4.06Å; V682-T702 CarbonylContact O-C 3.56Å; V682-T702 WeakPolarHBondContact O-CA 3.47Å; V682-F703 VanDerWaalsContact C-CD2 3.46Å; V682-F703 WeakPolarHBondContact O-CD2 3.26Å; V682-F703 PolarHBondContact O-N 2.8Å |
| 683 | K | 98.4 | Very high | 98.3 | Very high | 47 Ų | 47 | 16.6 Ų | 16.6 | 20% | 0.204 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -75.4 | -40.6 | 169.6 | -64.3 | -178.8 | -170.8 | 157.4 | 0 | 111.3 | G655 D656 E657 F703 P706 Y709 | G655-K683 PolarHBondContact O-N 3.25Å; D656-K683 PolarHBondContact O-N 3.02Å; D656-K683 VanDerWaalsContact OD1-CD 3.29Å; D656-K683 WeakPolarHBondContact OD1-CD 3.29Å; D656-K683 WeakPolarHBondContact OD1-CE 3.22Å; D656-K683 IonicContact OD1-NZ 2.77Å; D656-K683 PolarHBondContact OD1-NZ 2.65Å; E657-K683 HydrophobicContact CG-CB 3.92Å; E657-K683 HydrophobicContact CG-CD 3.87Å; K683-F703 HydrophobicContact CG-CD2 4.2Å; K683-P706 HydrophobicContact CB-CB 4.39Å; K683-P706 HydrophobicContact CD-CB 4.1Å; K683-P706 WeakPolarHBondContact CE-O 3.28Å; K683-P706 HydrophobicContact CG-CB 4.07Å; K683-Y709 VanDerWaalsContact CE-CB 3.5Å |
| 684 | S | 98.1 | Very high | 98.3 | Very high | 40 Ų | 40 | 16.1 Ų | 16.1 | 28% | 0.28 | 8% | 0.082 | S | C | . | . | trans | -158.9 | 156 | 174.7 | 52.4 | 0 | 0 | 0 | 0 | 112 | E657 N658 Y659 V682 | E657-S684 WeakPolarHBondContact CA-OG 3.25Å; N658-S684 PolarHBondContact N-O 2.89Å; N658-S684 VanDerWaalsContact N-O 3.08Å; N658-S684 PolarHBondContact N-OG 3.35Å; Y659-S684 PolarHBondContact N-O 3.49Å; V682-S684 WeakPolarHBondContact CG2-O 3.35Å | ||
| 685 | F | 98.1 | Very high | 98.3 | Very high | 14 Ų | 14 | 14.4 Ų | 14.4 | 6% | 0.061 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -109.7 | 154.1 | 177.6 | -72.9 | -79.6 | 0 | 0 | 0 | 112.5 | Y659 I680 V682 E690 L693 P700 L701 T702 | Y659-F685 AromaticContact CD1-CD1 3.79Å; Y659-F685 HydrophobicContact CD1-CD1 3.79Å; Y659-F685 AromaticContact CD1-CE1 3.66Å; Y659-F685 HydrophobicContact CD1-CE1 3.66Å; Y659-F685 HydrophobicContact CE1-CE1 4.25Å; Y659-F685 HydrophobicContact CG-CE1 4.47Å; I680-F685 HydrophobicContact CB-CE1 4.27Å; I680-F685 HydrophobicContact CB-CZ 4.17Å; I680-F685 HydrophobicContact CG2-CE1 3.84Å; I680-F685 HydrophobicContact CG2-CZ 4.03Å; I680-F685 WeakPolarHBondContact O-CZ 3.26Å; V682-F685 HydrophobicContact CB-CZ 4.38Å; V682-F685 HydrophobicContact CG1-CE1 4.1Å; V682-F685 HydrophobicContact CG1-CZ 4.08Å; V682-F685 HydrophobicContact CG2-CD1 3.94Å; V682-F685 HydrophobicContact CG2-CD2 3.52Å; V682-F685 HydrophobicContact CG2-CE1 3.73Å; V682-F685 HydrophobicContact CG2-CE2 3.29Å; V682-F685 HydrophobicContact CG2-CG 3.82Å; V682-F685 HydrophobicContact CG2-CZ 3.39Å; F685-E690 HydrophobicContact CB-CB 3.86Å; F685-E690 HydrophobicContact CB-CG 4.21Å; F685-E690 HydrophobicContact CD2-CG 4.13Å; F685-E690 HydrophobicContact CG-CB 4.16Å; F685-E690 HydrophobicContact CG-CG 4.16Å; F685-L693 HydrophobicContact CD1-CD1 4.24Å; F685-L693 HydrophobicContact CE1-CD1 3.61Å; F685-L693 HydrophobicContact CZ-CD1 4.24Å; F685-P700 HydrophobicContact CD2-CB 4.25Å; F685-P700 HydrophobicContact CE1-CB 4.14Å; F685-P700 HydrophobicContact CE2-CB 3.57Å; F685-P700 HydrophobicContact CZ-CB 3.52Å; F685-L701 WeakPolarHBondContact CE2-O 3.35Å; F685-T702 HydrophobicContact CD2-CG2 3.65Å; F685-T702 HydrophobicContact CE2-CG2 3.83Å |
| 686 | A | 97.2 | Very high | 98.3 | Very high | 13 Ų | 13 | 14.6 Ų | 14.6 | 11% | 0.107 | 8% | 0.075 | C | C | . | . | trans | -77.6 | 143.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y659 G660 I688 H689 E690 | Y659-A686 PolarHBondContact O-N 2.88Å; G660-A686 WeakPolarHBondContact O-CB 3.45Å; A686-I688 PolarHBondContact O-N 3.22Å; A686-H689 PolarHBondContact O-N 2.94Å; A686-E690 PolarHBondContact O-N 2.94Å; A686-E690 VanDerWaalsContact O-N 3.1Å | ||
| 687 | R | 97.1 | Very high | 98.3 | Very high | 36 Ų | 36 | 14.3 Ų | 14.3 | 14% | 0.136 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -50.6 | -56.7 | -170.3 | -170.7 | -150.3 | 77 | 76.7 | -11.1 | 114.4 | G200 H689 E690 T691 | G200-R687 PolarHBondContact O-NH2 3.38Å; R687-H689 VanDerWaalsContact C-N 3.31Å; R687-H689 PolarHBondContact O-N 3.06Å; R687-E690 PolarHBondContact O-N 3.06Å; R687-T691 PolarHBondContact O-N 3.45Å; R687-T691 PolarHBondContact O-OG1 3.31Å |
| 688 | I | 97 | Very high | 98.3 | Very high | 28 Ų | 28 | 14.3 Ų | 14.3 | 14% | 0.144 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65 | -41 | -172.8 | -55.8 | 175.8 | 0 | 0 | 0 | 110.2 | G200 A686 T691 N692 | G200-I688 WeakPolarHBondContact O-CD1 3.15Å; A686-I688 PolarHBondContact O-N 3.22Å; I688-T691 PolarHBondContact O-N 3.34Å; I688-N692 VanDerWaalsContact O-CG 3.22Å; I688-N692 PolarHBondContact O-N 2.72Å; I688-N692 PolarHBondContact O-ND2 2.88Å |
| 689 | H | 98.3 | Very high | 98.3 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.4 | -39.9 | -176.7 | -172.2 | 55.5 | 0 | 0 | 0 | 112 | Y659 A668 A686 R687 T691 N692 L693 | Y659-H689 AromaticContact CD1-CD2 3.64Å; Y659-H689 AromaticContact CD1-NE2 3.83Å; Y659-H689 AromaticContact CE1-CD2 3.6Å; Y659-H689 AromaticContact CE1-NE2 3.25Å; Y659-H689 VanDerWaalsContact CE1-NE2 3.25Å; Y659-H689 WeakPolarHBondContact CE1-NE2 3.35Å; A668-H689 PolarHBondContact O-CE1 3.38Å; A686-H689 PolarHBondContact O-N 2.94Å; R687-H689 VanDerWaalsContact C-N 3.31Å; R687-H689 PolarHBondContact O-N 3.06Å; H689-T691 PolarHBondContact O-N 2.94Å; H689-N692 PolarHBondContact O-N 2.96Å; H689-L693 WeakPolarHBondContact O-CG 3.21Å; H689-L693 PolarHBondContact O-N 2.9Å |
| 690 | E | 98.5 | Very high | 98.3 | Very high | 33 Ų | 33 | 11.9 Ų | 11.9 | 15% | 0.154 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 173.4 | -165 | -173.4 | 176.9 | 0 | 0 | 111.3 | F685 A686 R687 N692 L693 K694 P700 T751 | F685-E690 HydrophobicContact CB-CB 3.86Å; F685-E690 HydrophobicContact CB-CG 4.21Å; F685-E690 HydrophobicContact CD2-CG 4.13Å; F685-E690 HydrophobicContact CG-CB 4.16Å; F685-E690 HydrophobicContact CG-CG 4.16Å; A686-E690 PolarHBondContact O-N 2.94Å; A686-E690 VanDerWaalsContact O-N 3.1Å; R687-E690 PolarHBondContact O-N 3.06Å; E690-N692 VanDerWaalsContact C-N 3.34Å; E690-N692 PolarHBondContact O-N 2.8Å; E690-L693 PolarHBondContact O-N 2.92Å; E690-K694 WeakPolarHBondContact O-CG 3.47Å; E690-K694 PolarHBondContact O-N 3.19Å; E690-K694 VanDerWaalsContact O-N 3.16Å; E690-K694 IonicContact OE1-NZ 2.79Å; E690-P700 HydrophobicContact CG-CB 3.95Å; E690-P700 HydrophobicContact CG-CG 4.04Å; E690-T751 PolarHBondContact OE1-OG1 3.1Å |
| 691 | T | 98.2 | Very high | 98.3 | Very high | 21 Ų | 21 | 11.9 Ų | 11.9 | 13% | 0.129 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 175.7 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | D205 R687 I688 H689 L693 K694 K695 | D205-T691 WeakPolarHBondContact OD1-CG2 3.28Å; R687-T691 PolarHBondContact O-N 3.45Å; R687-T691 PolarHBondContact O-OG1 3.31Å; I688-T691 PolarHBondContact O-N 3.34Å; H689-T691 PolarHBondContact O-N 2.94Å; T691-L693 VanDerWaalsContact C-N 3.34Å; T691-L693 PolarHBondContact O-N 2.81Å; T691-K694 PolarHBondContact O-N 2.88Å; T691-K695 HydrophobicContact CG2-CG 4.24Å; T691-K695 WeakPolarHBondContact O-CG 3.42Å; T691-K695 PolarHBondContact O-N 3.39Å |
| 692 | N | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 178.9 | -70.6 | -17.6 | 0 | 0 | 0 | 111.8 | G202 S664 E666 A669 I688 H689 E690 K694 K695 Q696 | G202-N692 WeakPolarHBondContact CA-OD1 3.17Å; S664-N692 PolarHBondContact O-ND2 2.81Å; S664-N692 VanDerWaalsContact O-ND2 3.07Å; E666-N692 WeakPolarHBondContact CA-ND2 3.42Å; A669-N692 VanDerWaalsContact CB-C 3.45Å; A669-N692 HydrophobicContact CB-CB 3.74Å; A669-N692 WeakPolarHBondContact CB-O 3.16Å; I688-N692 VanDerWaalsContact O-CG 3.22Å; I688-N692 PolarHBondContact O-N 2.72Å; I688-N692 PolarHBondContact O-ND2 2.88Å; H689-N692 PolarHBondContact O-N 2.96Å; E690-N692 VanDerWaalsContact C-N 3.34Å; E690-N692 PolarHBondContact O-N 2.8Å; N692-K694 PolarHBondContact O-N 3.18Å; N692-K695 PolarHBondContact O-N 3.43Å; N692-Q696 WeakPolarHBondContact O-CG 3.2Å; N692-Q696 PolarHBondContact O-N 2.63Å; N692-Q696 VanDerWaalsContact O-N 3.08Å |
| 693 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 176.1 | -71.9 | 170.1 | 0 | 0 | 0 | 111.7 | A669 I680 F685 H689 E690 T691 K695 Q696 G697 M698 P700 | A669-L693 HydrophobicContact CB-CD2 3.88Å; A669-L693 HydrophobicContact CB-CG 4.21Å; I680-L693 HydrophobicContact CB-CD1 4.15Å; I680-L693 HydrophobicContact CG1-CD1 3.98Å; I680-L693 HydrophobicContact CG1-CD2 3.87Å; F685-L693 HydrophobicContact CD1-CD1 4.24Å; F685-L693 HydrophobicContact CE1-CD1 3.61Å; F685-L693 HydrophobicContact CZ-CD1 4.24Å; H689-L693 WeakPolarHBondContact O-CG 3.21Å; H689-L693 PolarHBondContact O-N 2.9Å; E690-L693 PolarHBondContact O-N 2.92Å; T691-L693 VanDerWaalsContact C-N 3.34Å; T691-L693 PolarHBondContact O-N 2.81Å; L693-K695 PolarHBondContact O-N 3.12Å; L693-Q696 PolarHBondContact O-N 2.94Å; L693-G697 PolarHBondContact O-N 3.38Å; L693-M698 HydrophobicContact CB-CB 4.3Å; L693-M698 HydrophobicContact CD2-CB 4.24Å; L693-M698 HydrophobicContact CD2-CE 4.38Å; L693-M698 HydrophobicContact CD2-CG 4.46Å; L693-M698 HydrophobicContact CD2-SD 3.61Å; L693-M698 WeakPolarHBondContact O-CB 3.24Å; L693-M698 PolarHBondContact O-N 2.76Å; L693-P700 HydrophobicContact CB-CB 4.16Å; L693-P700 HydrophobicContact CB-CG 4.08Å; L693-P700 HydrophobicContact CD1-CB 3.94Å |
| 694 | K | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 1% | 0.013 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.3 | -60.6 | 176.3 | -178.1 | 173.9 | 0 | 111.7 | Y81 E690 T691 N692 Q696 G697 P700 T751 F752 Q756 W759 | Y81-K694 PolarHBondContact OH-NZ 3.08Å; E690-K694 WeakPolarHBondContact O-CG 3.47Å; E690-K694 PolarHBondContact O-N 3.19Å; E690-K694 VanDerWaalsContact O-N 3.16Å; E690-K694 IonicContact OE1-NZ 2.79Å; T691-K694 PolarHBondContact O-N 2.88Å; N692-K694 PolarHBondContact O-N 3.18Å; K694-Q696 PolarHBondContact O-N 2.83Å; K694-G697 PolarHBondContact O-N 3.25Å; K694-P700 HydrophobicContact CD-CG 4.48Å; K694-P700 HydrophobicContact CG-CG 3.59Å; K694-T751 WeakPolarHBondContact CE-OG1 3.5Å; K694-T751 PolarHBondContact NZ-O 2.93Å; K694-T751 PolarHBondContact NZ-OG1 3.46Å; K694-F752 HydrophobicContact CB-CE1 3.95Å; K694-F752 HydrophobicContact CB-CZ 4.28Å; K694-F752 HydrophobicContact CD-CD1 4.27Å; K694-F752 HydrophobicContact CD-CE1 4.13Å; K694-F752 HydrophobicContact CD-CZ 4.43Å; K694-F752 HydrophobicContact CG-CD1 4.31Å; K694-F752 HydrophobicContact CG-CE1 3.68Å; K694-F752 HydrophobicContact CG-CE2 4.35Å; K694-F752 HydrophobicContact CG-CZ 3.7Å; K694-Q756 HydrophobicContact CD-CG 4.46Å; K694-W759 HydrophobicContact CB-CE3 4.25Å; K694-W759 HydrophobicContact CB-CZ3 4.46Å |
| 695 | K | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.7 | -35.1 | 178.1 | -77.7 | -68.3 | -167.7 | -175.3 | 0 | 112.2 | A204 D205 D208 T691 N692 L693 G697 W759 S764 A765 | A204-K695 HydrophobicContact CB-CB 3.92Å; A204-K695 HydrophobicContact CB-CD 3.93Å; A204-K695 HydrophobicContact CB-CG 3.91Å; D205-K695 WeakPolarHBondContact OD1-CE 3.22Å; D205-K695 IonicContact OD1-NZ 2.86Å; D208-K695 IonicContact OD1-NZ 3.98Å; D208-K695 PolarHBondContact OD1-NZ 3.08Å; D208-K695 VanDerWaalsContact OD1-NZ 3.08Å; D208-K695 IonicContact OD2-NZ 3.25Å; D208-K695 PolarHBondContact OD2-NZ 3.18Å; T691-K695 HydrophobicContact CG2-CG 4.24Å; T691-K695 WeakPolarHBondContact O-CG 3.42Å; T691-K695 PolarHBondContact O-N 3.39Å; N692-K695 PolarHBondContact O-N 3.43Å; L693-K695 PolarHBondContact O-N 3.12Å; K695-G697 VanDerWaalsContact C-N 3.3Å; K695-G697 PolarHBondContact O-N 3.29Å; K695-W759 HydrophobicContact CD-CD2 4.47Å; K695-W759 HydrophobicContact CD-CE3 3.87Å; K695-W759 HydrophobicContact CD-CH2 4Å; K695-W759 HydrophobicContact CD-CZ3 3.59Å; K695-W759 HydrophobicContact CG-CE3 4.38Å; K695-W759 HydrophobicContact CG-CZ3 4.04Å; K695-S764 CarbonylContact O-C 3.51Å; K695-S764 WeakPolarHBondContact O-CA 3.41Å; K695-S764 WeakPolarHBondContact O-CB 3.46Å; K695-A765 HydrophobicContact CB-CB 4.48Å; K695-A765 HydrophobicContact CD-CB 3.39Å; K695-A765 PolarHBondContact O-N 2.78Å |
| 696 | Q | 98.2 | Very high | 98.3 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 11.6 | 177.5 | -51.2 | -46.4 | -29.3 | 0 | 0 | 114 | F565 A669 L670 R673 N692 L693 K694 M698 | F565-Q696 HydrophobicContact CE2-CB 4.41Å; A669-Q696 HydrophobicContact CB-CB 4.48Å; A669-Q696 HydrophobicContact CB-CG 3.97Å; L670-Q696 HydrophobicContact CD2-CG 3.79Å; L670-Q696 VanDerWaalsContact CD2-OE1 3.24Å; L670-Q696 HydrophobicContact CG-CG 4.03Å; R673-Q696 HydrophobicContact CB-CB 4.33Å; R673-Q696 WeakPolarHBondContact CD-O 3.24Å; R673-Q696 HydrophobicContact CG-CB 4.35Å; R673-Q696 WeakPolarHBondContact CG-O 3.18Å; R673-Q696 PolarHBondContact NE-O 2.84Å; R673-Q696 VanDerWaalsContact NE-O 3.1Å; N692-Q696 WeakPolarHBondContact O-CG 3.2Å; N692-Q696 PolarHBondContact O-N 2.63Å; N692-Q696 VanDerWaalsContact O-N 3.08Å; L693-Q696 PolarHBondContact O-N 2.94Å; K694-Q696 PolarHBondContact O-N 2.83Å; Q696-M698 VanDerWaalsContact C-N 3.29Å; Q696-M698 PolarHBondContact O-N 2.94Å |
| 697 | G | 98 | Very high | 98.3 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 24.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L693 K694 K695 | L693-G697 PolarHBondContact O-N 3.38Å; K694-G697 PolarHBondContact O-N 3.25Å; K695-G697 VanDerWaalsContact C-N 3.3Å; K695-G697 PolarHBondContact O-N 3.29Å |
| 698 | M | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -89 | 162.2 | 168.9 | -63.4 | -166.7 | 68.5 | 0 | 0 | 111 | P672 R673 I680 L693 Q696 P700 | P672-M698 HydrophobicContact CB-CE 3.83Å; P672-M698 HydrophobicContact CB-SD 3.73Å; R673-M698 HydrophobicContact CB-CG 4.04Å; R673-M698 HydrophobicContact CB-SD 3.97Å; R673-M698 HydrophobicContact CG-CG 4.41Å; I680-M698 HydrophobicContact CD1-CE 3.88Å; I680-M698 HydrophobicContact CG1-CE 3.87Å; L693-M698 HydrophobicContact CB-CB 4.3Å; L693-M698 HydrophobicContact CD2-CB 4.24Å; L693-M698 HydrophobicContact CD2-CE 4.38Å; L693-M698 HydrophobicContact CD2-CG 4.46Å; L693-M698 HydrophobicContact CD2-SD 3.61Å; L693-M698 WeakPolarHBondContact O-CB 3.24Å; L693-M698 PolarHBondContact O-N 2.76Å; Q696-M698 VanDerWaalsContact C-N 3.29Å; Q696-M698 PolarHBondContact O-N 2.94Å; M698-P700 WeakPolarHBondContact O-CD 3.37Å | ||
| 699 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 94.6 | 173 | -67 | 170.9 | 0 | 0 | 0 | 110.5 | L573 R678 A679 I680 L701 L720 L723 L726 F752 F760 | L573-L699 HydrophobicContact CD1-CD1 3.95Å; R678-L699 PolarHBondContact O-N 2.73Å; A679-L699 WeakPolarHBondContact CA-O 3.1Å; A679-L699 HydrophobicContact CB-CB 4.11Å; I680-L699 PolarHBondContact N-O 3.44Å; L699-L701 HydrophobicContact CB-CD1 4.31Å; L699-L701 HydrophobicContact CB-CG 4.14Å; L699-L701 PolarHBondContact O-N 2.73Å; L699-L720 HydrophobicContact CD1-CD1 4.02Å; L699-L723 HydrophobicContact CD1-CD1 4.17Å; L699-L723 HydrophobicContact CD1-CD2 4.13Å; L699-L726 HydrophobicContact CD2-CD2 4.38Å; L699-F752 HydrophobicContact CD2-CE2 4.07Å; L699-F752 HydrophobicContact CD2-CZ 4.24Å; L699-F760 HydrophobicContact CD1-CE2 3.96Å; L699-F760 HydrophobicContact CD1-CZ 4.23Å; L699-F760 HydrophobicContact CD2-CD2 3.76Å; L699-F760 HydrophobicContact CD2-CE2 3.82Å; L699-F760 HydrophobicContact CD2-CG 4.14Å; L699-F760 HydrophobicContact CD2-CZ 4.25Å; L699-F760 HydrophobicContact CG-CD2 4Å; L699-F760 HydrophobicContact CG-CE2 3.74Å; L699-F760 HydrophobicContact CG-CZ 4.39Å |
| 700 | P | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115 | 162.3 | 28.4 | -30.7 | 0 | 0 | 0 | 109.3 | F685 E690 L693 K694 M698 F752 | F685-P700 HydrophobicContact CD2-CB 4.25Å; F685-P700 HydrophobicContact CE1-CB 4.14Å; F685-P700 HydrophobicContact CE2-CB 3.57Å; F685-P700 HydrophobicContact CZ-CB 3.52Å; E690-P700 HydrophobicContact CG-CB 3.95Å; E690-P700 HydrophobicContact CG-CG 4.04Å; L693-P700 HydrophobicContact CB-CB 4.16Å; L693-P700 HydrophobicContact CB-CG 4.08Å; L693-P700 HydrophobicContact CD1-CB 3.94Å; K694-P700 HydrophobicContact CD-CG 4.48Å; K694-P700 HydrophobicContact CG-CG 3.59Å; M698-P700 WeakPolarHBondContact O-CD 3.37Å; P700-F752 HydrophobicContact CG-CE2 4.21Å; P700-F752 HydrophobicContact CG-CZ 4.33Å |
| 701 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143.2 | -177.7 | -62.1 | 178.5 | 0 | 0 | 0 | 109.9 | I680 I681 V682 F685 L699 L720 V732 L748 L749 H750 | I680-L701 PolarHBondContact O-N 3.04Å; I681-L701 CarbonylContact C-O 3.23Å; I681-L701 VanDerWaalsContact CA-O 3.31Å; I681-L701 WeakPolarHBondContact CA-O 3.41Å; I681-L701 HydrophobicContact CG1-CB 4.33Å; I681-L701 HydrophobicContact CG1-CD1 4.49Å; I681-L701 HydrophobicContact CG2-CB 4.49Å; V682-L701 PolarHBondContact N-O 2.73Å; F685-L701 WeakPolarHBondContact CE2-O 3.35Å; L699-L701 HydrophobicContact CB-CD1 4.31Å; L699-L701 HydrophobicContact CB-CG 4.14Å; L699-L701 PolarHBondContact O-N 2.73Å; L701-L720 HydrophobicContact CD1-CD1 3.69Å; L701-L720 HydrophobicContact CD1-CD2 3.95Å; L701-L720 HydrophobicContact CD1-CG 4.46Å; L701-V732 HydrophobicContact CD1-CG1 4.38Å; L701-V732 HydrophobicContact CD2-CB 4.47Å; L701-V732 HydrophobicContact CD2-CG2 4.13Å; L701-L748 HydrophobicContact CB-CB 4.15Å; L701-L748 HydrophobicContact CB-CD1 4.12Å; L701-L748 HydrophobicContact CD1-CB 4.37Å; L701-L748 HydrophobicContact CD1-CD1 3.68Å; L701-L749 WeakPolarHBondContact CA-O 3.46Å; L701-H750 HydrophobicContact CD2-CB 3.91Å |
| 702 | T | 98.8 | Very high | 98.3 | Very high | 28 Ų | 28 | 24.1 Ų | 24.1 | 17% | 0.172 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.7 | 175.4 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | V682 F685 A704 L748 L749 | V682-T702 HydrophobicContact CG2-CG2 4.06Å; V682-T702 CarbonylContact O-C 3.56Å; V682-T702 WeakPolarHBondContact O-CA 3.47Å; F685-T702 HydrophobicContact CD2-CG2 3.65Å; F685-T702 HydrophobicContact CE2-CG2 3.83Å; T702-A704 PolarHBondContact O-N 3.08Å; T702-L748 CarbonylContact O-C 3.34Å; T702-L748 WeakPolarHBondContact O-CA 3.21Å; T702-L749 PolarHBondContact N-O 2.78Å; T702-L749 PolarHBondContact O-N 3.46Å |
| 703 | F | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 132.4 | 174.5 | -62.1 | -74 | 0 | 0 | 0 | 111.2 | I654 I681 V682 K683 N705 D708 Y709 I712 L748 | I654-F703 HydrophobicContact CG2-CE2 4.41Å; I654-F703 HydrophobicContact CG2-CZ 4.04Å; I681-F703 HydrophobicContact CB-CZ 4.5Å; I681-F703 HydrophobicContact CG2-CD1 4.24Å; I681-F703 HydrophobicContact CG2-CE1 3.69Å; I681-F703 HydrophobicContact CG2-CE2 4.1Å; I681-F703 HydrophobicContact CG2-CZ 3.61Å; V682-F703 VanDerWaalsContact C-CD2 3.46Å; V682-F703 WeakPolarHBondContact O-CD2 3.26Å; V682-F703 PolarHBondContact O-N 2.8Å; K683-F703 HydrophobicContact CG-CD2 4.2Å; F703-N705 WeakPolarHBondContact CB-O 3.31Å; F703-N705 PolarHBondContact O-N 3.33Å; F703-D708 HydrophobicContact CD1-CB 3.88Å; F703-D708 HydrophobicContact CE1-CB 4.46Å; F703-D708 HydrophobicContact CG-CB 4.44Å; F703-Y709 HydrophobicContact CE2-CD2 4.2Å; F703-I712 HydrophobicContact CE1-CD1 3.66Å; F703-I712 HydrophobicContact CZ-CD1 3.86Å; F703-L748 HydrophobicContact CD1-CD2 3.55Å; F703-L748 HydrophobicContact CE1-CD2 3.96Å; F703-L748 HydrophobicContact CG-CD2 4.29Å |
| 704 | A | 98.4 | Very high | 98.2 | Very high | 48 Ų | 48 | 30.7 Ų | 30.7 | 40% | 0.397 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -64.4 | -35.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T702 Q747 L749 | T702-A704 PolarHBondContact O-N 3.08Å; A704-Q747 HydrophobicContact CB-CB 3.93Å; A704-Q747 WeakPolarHBondContact CB-O 3.49Å; A704-Q747 PolarHBondContact N-O 3.24Å; A704-L749 HydrophobicContact CB-CD1 4.34Å; A704-L749 HydrophobicContact CB-CD2 4.05Å; A704-L749 HydrophobicContact CB-CG 3.91Å |
| 705 | N | 98.2 | Very high | 98.2 | Very high | 74 Ų | 74 | 32.3 Ų | 32.3 | 40% | 0.396 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -116.8 | 111.8 | 166.5 | 176.2 | 11.1 | 0 | 0 | 0 | 109.5 | F703 S707 D708 | F703-N705 WeakPolarHBondContact CB-O 3.31Å; F703-N705 PolarHBondContact O-N 3.33Å; N705-S707 PolarHBondContact ND2-OG 2.83Å; N705-S707 PolarHBondContact O-N 3.02Å; N705-S707 PolarHBondContact OD1-N 2.71Å; N705-S707 PolarHBondContact OD1-OG 2.82Å; N705-D708 VanDerWaalsContact O-CB 3.27Å; N705-D708 WeakPolarHBondContact O-CB 3.38Å; N705-D708 PolarHBondContact O-N 2.94Å |
| 706 | P | 97.6 | Very high | 98.2 | Very high | 64 Ų | 64 | 32.4 Ų | 32.4 | 42% | 0.416 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -54.3 | -24.3 | -179.3 | -28.6 | 36 | 0 | 0 | 0 | 115.5 | K683 D708 Y709 | K683-P706 HydrophobicContact CB-CB 4.39Å; K683-P706 HydrophobicContact CD-CB 4.1Å; K683-P706 WeakPolarHBondContact CE-O 3.28Å; K683-P706 HydrophobicContact CG-CB 4.07Å; P706-D708 PolarHBondContact O-N 2.8Å; P706-Y709 WeakPolarHBondContact O-CB 3.49Å; P706-Y709 PolarHBondContact O-N 3.44Å |
| 707 | S | 97.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 42% | 0.42 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -72.7 | -12.3 | 176 | 79 | 0 | 0 | 0 | 0 | 113.4 | N705 Y709 D710 | N705-S707 PolarHBondContact ND2-OG 2.83Å; N705-S707 PolarHBondContact O-N 3.02Å; N705-S707 PolarHBondContact OD1-N 2.71Å; N705-S707 PolarHBondContact OD1-OG 2.82Å; S707-Y709 PolarHBondContact O-N 3.18Å; S707-D710 PolarHBondContact O-N 3.31Å; S707-D710 VanDerWaalsContact O-N 3.15Å |
| 708 | D | 98.2 | Very high | 98.2 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -66.5 | -18.6 | 173.6 | -69.9 | -23.7 | 0 | 0 | 0 | 112 | F703 N705 P706 D710 K711 V746 | F703-D708 HydrophobicContact CD1-CB 3.88Å; F703-D708 HydrophobicContact CE1-CB 4.46Å; F703-D708 HydrophobicContact CG-CB 4.44Å; N705-D708 VanDerWaalsContact O-CB 3.27Å; N705-D708 WeakPolarHBondContact O-CB 3.38Å; N705-D708 PolarHBondContact O-N 2.94Å; P706-D708 PolarHBondContact O-N 2.8Å; D708-D710 PolarHBondContact O-N 3.17Å; D708-K711 HydrophobicContact CB-CD 4.39Å; D708-K711 WeakPolarHBondContact O-CB 3.26Å; D708-K711 PolarHBondContact O-N 3.36Å; D708-K711 VanDerWaalsContact O-N 3.1Å; D708-K711 WeakPolarHBondContact OD1-CD 3.47Å; D708-K711 WeakPolarHBondContact OD1-CE 3.28Å; D708-K711 IonicContact OD1-NZ 3.51Å; D708-K711 PolarHBondContact OD1-NZ 3.26Å; D708-V746 HydrophobicContact CB-CB 4.39Å; D708-V746 HydrophobicContact CB-CG1 4.01Å |
| 709 | Y | 98.1 | Very high | 98.3 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -51.9 | -38 | 168.4 | 170.6 | -84.9 | 0 | 0 | 0 | 112 | K581 I582 E618 I654 G655 K683 F703 P706 S707 K711 I712 | K581-Y709 VanDerWaalsContact CE-O 3.32Å; K581-Y709 WeakPolarHBondContact CE-O 3.41Å; K581-Y709 WeakPolarHBondContact CE-OH 3.12Å; K581-Y709 HydrophobicContact CG-CE2 4.28Å; K581-Y709 PolarHBondContact NZ-O 3.02Å; K581-Y709 VanDerWaalsContact NZ-O 3.13Å; I582-Y709 PolarHBondContact O-OH 3.03Å; E618-Y709 PolarHBondContact OE1-OH 2.98Å; I654-Y709 HydrophobicContact CG2-CD2 3.75Å; I654-Y709 HydrophobicContact CG2-CE2 3.85Å; G655-Y709 WeakPolarHBondContact O-CD2 3.5Å; K683-Y709 VanDerWaalsContact CE-CB 3.5Å; F703-Y709 HydrophobicContact CE2-CD2 4.2Å; P706-Y709 WeakPolarHBondContact O-CB 3.49Å; P706-Y709 PolarHBondContact O-N 3.44Å; S707-Y709 PolarHBondContact O-N 3.18Å; Y709-K711 VanDerWaalsContact C-N 3.31Å; Y709-K711 PolarHBondContact O-N 3.36Å; Y709-I712 PolarHBondContact O-N 3.22Å |
| 710 | D | 97.5 | Very high | 98.3 | Very high | 111 Ų | 111 | 36.5 Ų | 36.5 | 59% | 0.594 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -77.4 | -17.6 | -176.8 | -62.1 | -47.1 | 0 | 0 | 0 | 112.9 | S707 D708 | S707-D710 PolarHBondContact O-N 3.31Å; S707-D710 VanDerWaalsContact O-N 3.15Å; D708-D710 PolarHBondContact O-N 3.17Å |
| 711 | K | 97.8 | Very high | 98.2 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 37% | 0.365 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -73.5 | -30.3 | 175.7 | -63.7 | 178 | 176.7 | 168.1 | 0 | 112.4 | D708 Y709 I736 V746 | D708-K711 HydrophobicContact CB-CD 4.39Å; D708-K711 WeakPolarHBondContact O-CB 3.26Å; D708-K711 PolarHBondContact O-N 3.36Å; D708-K711 VanDerWaalsContact O-N 3.1Å; D708-K711 WeakPolarHBondContact OD1-CD 3.47Å; D708-K711 WeakPolarHBondContact OD1-CE 3.28Å; D708-K711 IonicContact OD1-NZ 3.51Å; D708-K711 PolarHBondContact OD1-NZ 3.26Å; Y709-K711 VanDerWaalsContact C-N 3.31Å; Y709-K711 PolarHBondContact O-N 3.36Å; K711-I736 HydrophobicContact CB-CD1 4.21Å; K711-V746 HydrophobicContact CD-CG1 4.2Å |
| 712 | I | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -84 | 124.1 | -176.2 | -60 | 175.3 | 0 | 0 | 0 | 109.6 | I578 K581 I654 F703 Y709 I718 I736 | I578-I712 HydrophobicContact CD1-CG2 3.34Å; K581-I712 WeakPolarHBondContact CD-O 3.46Å; K581-I712 VanDerWaalsContact CE-O 3.28Å; K581-I712 WeakPolarHBondContact CE-O 3.5Å; K581-I712 PolarHBondContact NZ-O 3.42Å; I654-I712 HydrophobicContact CD1-CD1 3.91Å; I654-I712 HydrophobicContact CD1-CG2 4.41Å; I654-I712 HydrophobicContact CG1-CD1 4.46Å; I654-I712 HydrophobicContact CG1-CG2 4Å; F703-I712 HydrophobicContact CE1-CD1 3.66Å; F703-I712 HydrophobicContact CZ-CD1 3.86Å; Y709-I712 PolarHBondContact O-N 3.22Å; I712-I718 HydrophobicContact CD1-CD1 4.11Å; I712-I718 HydrophobicContact CG1-CD1 4.44Å; I712-I718 HydrophobicContact CG2-CD1 4.21Å; I712-I736 HydrophobicContact CD1-CD1 4.27Å; I712-I736 HydrophobicContact CD1-CG1 4.4Å; I712-I736 HydrophobicContact CG1-CD1 3.55Å; I712-I736 HydrophobicContact CG1-CG1 3.93Å; I712-I736 HydrophobicContact CG1-CG2 4.38Å | ||
| 713 | K | 97.9 | Very high | 98.1 | Very high | 121 Ų | 121 | 39.3 Ų | 39.3 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | trans | -97.5 | 152.8 | 172.6 | -61.6 | 176.6 | -175.9 | 175.1 | 0 | 110.6 | I578 S715 D716 | I578-K713 WeakPolarHBondContact CD1-O 3.02Å; K713-S715 PolarHBondContact O-N 3.22Å; K713-S715 VanDerWaalsContact O-N 3.11Å; K713-D716 PolarHBondContact N-OD2 2.85Å; K713-D716 WeakPolarHBondContact O-CB 3.31Å; K713-D716 PolarHBondContact O-N 3.35Å | ||
| 714 | P | 97.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 46 Ų | 46 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27 | 176.7 | -27.6 | 35.3 | 0 | 0 | 0 | 115.3 | K581 E619 R629 | K581-P714 HydrophobicContact CB-CG 4.3Å; E619-P714 HydrophobicContact CB-CB 4.02Å; E619-P714 HydrophobicContact CB-CG 3.86Å; E619-P714 HydrophobicContact CG-CB 4.11Å; E619-P714 HydrophobicContact CG-CG 4.2Å; R629-P714 PolarHBondContact NE-O 2.98Å; R629-P714 PolarHBondContact NH2-O 2.97Å |
| 715 | S | 97.5 | Very high | 97.8 | Very high | 36 Ų | 36 | 47 Ų | 47 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -9.4 | 178.5 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | K713 E739 | K713-S715 PolarHBondContact O-N 3.22Å; K713-S715 VanDerWaalsContact O-N 3.11Å; S715-E739 PolarHBondContact OG-OE2 3.49Å |
| 716 | D | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | trans | -70.7 | 159.5 | 179.8 | -62.8 | -22.1 | 0 | 0 | 0 | 111.5 | I578 K713 I736 H737 H738 | I578-D716 HydrophobicContact CD1-CB 4.34Å; K713-D716 PolarHBondContact N-OD2 2.85Å; K713-D716 WeakPolarHBondContact O-CB 3.31Å; K713-D716 PolarHBondContact O-N 3.35Å; D716-I736 HydrophobicContact CB-CG2 3.92Å; D716-I736 WeakPolarHBondContact OD2-CG2 3.36Å; D716-H737 WeakPolarHBondContact CA-O 3.39Å; D716-H737 WeakPolarHBondContact CB-O 3.32Å; D716-H738 VanDerWaalsContact CG-ND1 3.25Å; D716-H738 WeakPolarHBondContact OD1-CA 3.32Å; D716-H738 IonicContact OD1-CG 3.75Å; D716-H738 IonicContact OD1-ND1 2.74Å; D716-H738 PolarHBondContact OD1-ND1 2.7Å; D716-H738 IonicContact OD2-CE1 3.37Å; D716-H738 PolarHBondContact OD2-CE1 2.65Å; D716-H738 IonicContact OD2-ND1 3.55Å; D716-H738 PolarHBondContact OD2-ND1 2.63Å | ||
| 717 | K | 98.6 | Very high | 97.8 | Very high | 91 Ų | 91 | 46 Ų | 46 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 150.7 | 166.7 | -54.6 | 179.4 | -171.9 | 173.4 | 0 | 110.8 | E575 M576 H737 | E575-K717 HydrophobicContact CB-CB 4.38Å; E575-K717 HydrophobicContact CB-CD 3.82Å; E575-K717 HydrophobicContact CG-CD 4.18Å; E575-K717 WeakPolarHBondContact OE1-CD 3.3Å; E575-K717 IonicContact OE1-NZ 3.58Å; E575-K717 PolarHBondContact OE1-NZ 2.62Å; M576-K717 CarbonylContact O-C 3.59Å; M576-K717 WeakPolarHBondContact O-CA 3.37Å; K717-H737 HydrophobicContact CB-CB 4.19Å; K717-H737 PolarHBondContact N-O 3.44Å; K717-H737 PolarHBondContact O-N 3Å |
| 718 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.1 | -175.9 | -58.5 | -59.3 | 0 | 0 | 0 | 110.5 | E575 M576 I578 I681 I712 L720 I736 | E575-I718 PolarHBondContact N-O 2.87Å; M576-I718 PolarHBondContact N-O 3.36Å; M576-I718 PolarHBondContact O-N 2.93Å; I578-I718 HydrophobicContact CD1-CD1 4.35Å; I578-I718 HydrophobicContact CD1-CG1 4.1Å; I578-I718 HydrophobicContact CG1-CG1 3.92Å; I681-I718 HydrophobicContact CD1-CG2 3.91Å; I712-I718 HydrophobicContact CD1-CD1 4.11Å; I712-I718 HydrophobicContact CG1-CD1 4.44Å; I712-I718 HydrophobicContact CG2-CD1 4.21Å; I718-L720 HydrophobicContact CG2-CD2 4.08Å; I718-L720 HydrophobicContact CG2-CG 4.42Å; I718-I736 HydrophobicContact CD1-CG1 4.22Å; I718-I736 HydrophobicContact CD1-CG2 4.39Å |
| 719 | S | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.9 | 167.5 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | L573 E575 C734 V735 H737 | L573-S719 CarbonylContact O-C 3.39Å; L573-S719 WeakPolarHBondContact O-CA 3.2Å; E575-S719 PolarHBondContact N-OG 3.29Å; S719-C734 CarbonylContact O-C 3.57Å; S719-C734 VanDerWaalsContact O-CA 3.3Å; S719-C734 WeakPolarHBondContact O-CA 3.31Å; S719-V735 PolarHBondContact N-O 3.49Å; S719-V735 PolarHBondContact O-N 2.9Å; S719-H737 PolarHBondContact OG-CD2 3.4Å; S719-H737 PolarHBondContact OG-NE2 3.13Å |
| 720 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.6 | 171.6 | -56.1 | 179.3 | 0 | 0 | 0 | 108.4 | D572 L573 M576 A679 I681 L699 L701 I718 L723 V732 C734 L748 | D572-L720 WeakPolarHBondContact CB-O 3.44Å; L573-L720 HydrophobicContact CB-CB 4.34Å; L573-L720 HydrophobicContact CD1-CD1 4.26Å; L573-L720 PolarHBondContact N-O 3.13Å; L573-L720 VanDerWaalsContact N-O 3.12Å; L573-L720 PolarHBondContact O-N 2.93Å; M576-L720 HydrophobicContact CE-CD1 3.92Å; M576-L720 HydrophobicContact CE-CG 3.99Å; A679-L720 HydrophobicContact CB-CD1 3.62Å; I681-L720 HydrophobicContact CD1-CD2 4.31Å; L699-L720 HydrophobicContact CD1-CD1 4.02Å; L701-L720 HydrophobicContact CD1-CD1 3.69Å; L701-L720 HydrophobicContact CD1-CD2 3.95Å; L701-L720 HydrophobicContact CD1-CG 4.46Å; I718-L720 HydrophobicContact CG2-CD2 4.08Å; I718-L720 HydrophobicContact CG2-CG 4.42Å; L720-L723 HydrophobicContact CB-CD1 4.4Å; L720-L723 HydrophobicContact CB-CD2 4.32Å; L720-V732 HydrophobicContact CB-CG1 4.16Å; L720-V732 HydrophobicContact CD2-CG1 4.16Å; L720-C734 HydrophobicContact CD2-CB 4.08Å; L720-L748 HydrophobicContact CD2-CD1 3.74Å |
| 721 | L | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 160.3 | -168.8 | -55.3 | -177.6 | 0 | 0 | 0 | 112.1 | D572 T574 L723 R733 V735 | D572-L721 HydrophobicContact CB-CD2 4.18Å; D572-L721 WeakPolarHBondContact OD2-CA 3.2Å; T574-L721 HydrophobicContact CG2-CD2 4.23Å; L721-L723 VanDerWaalsContact C-N 3.27Å; L721-L723 PolarHBondContact O-N 3.3Å; L721-R733 HydrophobicContact CB-CB 4.36Å; L721-R733 PolarHBondContact N-O 3.46Å; L721-V735 HydrophobicContact CD1-CG2 3.65Å; L721-V735 HydrophobicContact CG-CG2 4.42Å |
| 722 | D | 96.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | 61.2 | 30.1 | 178.5 | -161.8 | 39.5 | 0 | 0 | 0 | 114.1 | D572 K724 N725 K730 | D572-D722 VanDerWaalsContact CG-N 3.28Å; D572-D722 PolarHBondContact OD1-N 2.77Å; D572-D722 PolarHBondContact OD2-N 2.79Å; D722-K724 PolarHBondContact O-N 3.5Å; D722-N725 PolarHBondContact O-N 3.23Å; D722-N725 PolarHBondContact OD1-ND2 3.31Å; D722-K730 IonicContact OD2-NZ 2.69Å; D722-K730 PolarHBondContact OD2-NZ 3.18Å | ||
| 723 | L | 97.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -64.5 | -24.5 | -179.1 | -64.7 | -177.1 | 0 | 0 | 0 | 112.6 | W568 D572 L573 L699 L720 L721 N725 L726 V732 F760 | W568-L723 HydrophobicContact CZ2-CB 3.86Å; D572-L723 PolarHBondContact OD1-N 3.09Å; L573-L723 HydrophobicContact CB-CD1 4.35Å; L573-L723 HydrophobicContact CD1-CD1 3.99Å; L573-L723 HydrophobicContact CG-CD1 3.83Å; L699-L723 HydrophobicContact CD1-CD1 4.17Å; L699-L723 HydrophobicContact CD1-CD2 4.13Å; L720-L723 HydrophobicContact CB-CD1 4.4Å; L720-L723 HydrophobicContact CB-CD2 4.32Å; L721-L723 VanDerWaalsContact C-N 3.27Å; L721-L723 PolarHBondContact O-N 3.3Å; L723-N725 PolarHBondContact O-N 3.28Å; L723-L726 VanDerWaalsContact O-CB 3.27Å; L723-L726 WeakPolarHBondContact O-CB 3.47Å; L723-L726 PolarHBondContact O-N 2.93Å; L723-V732 HydrophobicContact CD2-CG1 4.13Å; L723-V732 HydrophobicContact CD2-CG2 4.43Å; L723-F760 HydrophobicContact CD1-CZ 4.45Å |
| 724 | K | 96.2 | Very high | 97.6 | Very high | 146 Ų | 146 | 44.7 Ų | 44.7 | 64% | 0.635 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -59.3 | -26.9 | 171.5 | 69.4 | -179.9 | -177.9 | -177.9 | 0 | 114.3 | W568 D722 | W568-K724 HydrophobicContact CH2-CB 4.34Å; D722-K724 PolarHBondContact O-N 3.5Å |
| 725 | N | 96 | Very high | 97.6 | Very high | 68 Ų | 68 | 44.7 Ų | 44.7 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -111.9 | 29 | 179.5 | -62.7 | -46.6 | 0 | 0 | 0 | 111 | D722 L723 Q727 K730 | D722-N725 PolarHBondContact O-N 3.23Å; D722-N725 PolarHBondContact OD1-ND2 3.31Å; L723-N725 PolarHBondContact O-N 3.28Å; N725-Q727 PolarHBondContact O-N 2.89Å; N725-K730 PolarHBondContact O-NZ 3.48Å |
| 726 | L | 97.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | trans | -60.8 | 124.6 | 171.6 | -173.8 | 69 | 0 | 0 | 0 | 109.1 | L699 L723 V732 H750 I757 F760 | L699-L726 HydrophobicContact CD2-CD2 4.38Å; L723-L726 VanDerWaalsContact O-CB 3.27Å; L723-L726 WeakPolarHBondContact O-CB 3.47Å; L723-L726 PolarHBondContact O-N 2.93Å; L726-V732 HydrophobicContact CD1-CG2 3.68Å; L726-H750 WeakPolarHBondContact CD1-NE2 3.2Å; L726-I757 HydrophobicContact CD2-CG1 4.05Å; L726-I757 HydrophobicContact CD2-CG2 4.34Å; L726-I757 HydrophobicContact CG-CD1 4.24Å; L726-I757 HydrophobicContact CG-CG1 4.24Å; L726-F760 HydrophobicContact CD2-CD1 4.16Å; L726-F760 HydrophobicContact CD2-CE1 4.49Å | ||
| 727 | Q | 97.4 | Very high | 97.7 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 48% | 0.477 | 24% | 0.237 | S | C | . | . | trans | -144 | 149.5 | -176.2 | -70.5 | 177.4 | 10.3 | 0 | 0 | 109.9 | N725 G729 K730 H750 | N725-Q727 PolarHBondContact O-N 2.89Å; Q727-G729 PolarHBondContact O-N 3.41Å; Q727-K730 HydrophobicContact CB-CB 4.23Å; Q727-K730 PolarHBondContact O-N 3.26Å; Q727-K730 VanDerWaalsContact O-N 3.14Å; Q727-H750 PolarHBondContact O-CE1 3Å; Q727-H750 PolarHBondContact O-NE2 3.31Å | ||
| 728 | P | 96.7 | Very high | 97.7 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130.8 | 177.4 | -25.1 | 35.9 | 0 | 0 | 0 | 112.1 | K730 E754 I757 | P728-K730 PolarHBondContact O-N 2.93Å; P728-E754 WeakPolarHBondContact CD-OE1 3.35Å; P728-E754 HydrophobicContact CG-CG 4.01Å; P728-E754 WeakPolarHBondContact CG-OE1 3.39Å; P728-I757 HydrophobicContact CG-CD1 4.14Å |
| 729 | G | 94.2 | Very high | 97.5 | Very high | 70 Ų | 70 | 49.6 Ų | 49.6 | 72% | 0.722 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -7.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | Q727 P731 | Q727-G729 PolarHBondContact O-N 3.41Å; G729-P731 WeakPolarHBondContact O-CD 3.2Å |
| 730 | K | 97.2 | Very high | 97.3 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 119.3 | 175.3 | -176 | -176.9 | 167.7 | -163.6 | 0 | 110 | D722 N725 Q727 P728 H750 | D722-K730 IonicContact OD2-NZ 2.69Å; D722-K730 PolarHBondContact OD2-NZ 3.18Å; N725-K730 PolarHBondContact O-NZ 3.48Å; Q727-K730 HydrophobicContact CB-CB 4.23Å; Q727-K730 PolarHBondContact O-N 3.26Å; Q727-K730 VanDerWaalsContact O-N 3.14Å; P728-K730 PolarHBondContact O-N 2.93Å; K730-H750 PolarHBondContact O-CD2 3.11Å; K730-H750 PolarHBondContact O-NE2 3.17Å |
| 731 | P | 98 | Very high | 97.1 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 33% | 0.331 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 148.7 | 177.3 | -23.2 | 34.3 | 0 | 0 | 0 | 113 | G729 Q747 L748 L749 | G729-P731 WeakPolarHBondContact O-CD 3.2Å; P731-Q747 HydrophobicContact CB-CB 4.26Å; P731-L748 CarbonylContact C-O 3.47Å; P731-L748 VanDerWaalsContact CA-O 3.27Å; P731-L748 WeakPolarHBondContact CA-O 3.34Å; P731-L748 WeakPolarHBondContact CB-O 3.36Å; P731-L749 HydrophobicContact CB-CD2 4.19Å; P731-L749 HydrophobicContact CG-CD2 3.86Å |
| 732 | V | 98.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.5 | 170.9 | 172.6 | 0 | 0 | 0 | 0 | 109.1 | L701 L720 L723 L726 L748 | L701-V732 HydrophobicContact CD1-CG1 4.38Å; L701-V732 HydrophobicContact CD2-CB 4.47Å; L701-V732 HydrophobicContact CD2-CG2 4.13Å; L720-V732 HydrophobicContact CB-CG1 4.16Å; L720-V732 HydrophobicContact CD2-CG1 4.16Å; L723-V732 HydrophobicContact CD2-CG1 4.13Å; L723-V732 HydrophobicContact CD2-CG2 4.43Å; L726-V732 HydrophobicContact CD1-CG2 3.68Å; V732-L748 HydrophobicContact CB-CB 4.4Å; V732-L748 PolarHBondContact N-O 2.89Å; V732-L748 PolarHBondContact O-N 2.96Å |
| 733 | R | 98.5 | Very high | 97.2 | Very high | 108 Ų | 108 | 64.4 Ų | 64.4 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 125.4 | 173.8 | -69.5 | 179.3 | 60.1 | -162.2 | -8.6 | 110 | L721 E745 | L721-R733 HydrophobicContact CB-CB 4.36Å; L721-R733 PolarHBondContact N-O 3.46Å; R733-E745 IonicContact CZ-OE1 2.68Å; R733-E745 IonicContact CZ-OE2 2.75Å; R733-E745 IonicContact NE-OE1 2.56Å; R733-E745 PolarHBondContact NE-OE1 3.03Å; R733-E745 IonicContact NE-OE2 3.08Å; R733-E745 IonicContact NH2-OE1 3.54Å; R733-E745 IonicContact NH2-OE2 3.97Å; R733-E745 PolarHBondContact NH2-OE2 2.67Å |
| 734 | C | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.2 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | S719 L720 E745 V746 L748 | S719-C734 CarbonylContact O-C 3.57Å; S719-C734 VanDerWaalsContact O-CA 3.3Å; S719-C734 WeakPolarHBondContact O-CA 3.31Å; L720-C734 HydrophobicContact CD2-CB 4.08Å; C734-E745 WeakPolarHBondContact O-CA 3.34Å; C734-V746 HydrophobicContact CB-CG2 3.82Å; C734-V746 PolarHBondContact N-O 3.14Å; C734-V746 PolarHBondContact O-N 3.18Å; C734-L748 HydrophobicContact CB-CD1 3.55Å; C734-L748 HydrophobicContact CB-CG 3.69Å |
| 735 | V | 98.8 | Very high | 97.3 | Very high | 17 Ų | 17 | 65.7 Ų | 65.7 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.1 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | S719 L721 H737 T743 E744 | S719-V735 PolarHBondContact N-O 3.49Å; S719-V735 PolarHBondContact O-N 2.9Å; L721-V735 HydrophobicContact CD1-CG2 3.65Å; L721-V735 HydrophobicContact CG-CG2 4.42Å; V735-H737 PolarHBondContact O-CD2 2.82Å; V735-T743 HydrophobicContact CG1-CG2 4.06Å; V735-E744 WeakPolarHBondContact CA-O 3.49Å |
| 736 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 121.4 | 173.1 | -52.1 | 166.2 | 0 | 0 | 0 | 107 | K711 I712 D716 I718 H738 T743 E744 V746 | K711-I736 HydrophobicContact CB-CD1 4.21Å; I712-I736 HydrophobicContact CD1-CD1 4.27Å; I712-I736 HydrophobicContact CD1-CG1 4.4Å; I712-I736 HydrophobicContact CG1-CD1 3.55Å; I712-I736 HydrophobicContact CG1-CG1 3.93Å; I712-I736 HydrophobicContact CG1-CG2 4.38Å; D716-I736 HydrophobicContact CB-CG2 3.92Å; D716-I736 WeakPolarHBondContact OD2-CG2 3.36Å; I718-I736 HydrophobicContact CD1-CG1 4.22Å; I718-I736 HydrophobicContact CD1-CG2 4.39Å; I736-H738 VanDerWaalsContact CG2-CE1 3.49Å; I736-H738 WeakPolarHBondContact CG2-CE1 3.48Å; I736-T743 WeakPolarHBondContact O-CA 3.14Å; I736-E744 HydrophobicContact CD1-CB 4.48Å; I736-E744 PolarHBondContact N-O 3.09Å; I736-E744 PolarHBondContact O-N 3.48Å; I736-V746 HydrophobicContact CD1-CG1 3.96Å; I736-V746 HydrophobicContact CD1-CG2 4.21Å; I736-V746 HydrophobicContact CG1-CG2 4.48Å |
| 737 | H | 98.6 | Very high | 97.4 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 23% | 0.231 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 106.2 | 177.5 | -61.5 | -97.4 | 0 | 0 | 0 | 108.8 | D716 K717 S719 V735 | D716-H737 WeakPolarHBondContact CA-O 3.39Å; D716-H737 WeakPolarHBondContact CB-O 3.32Å; K717-H737 HydrophobicContact CB-CB 4.19Å; K717-H737 PolarHBondContact N-O 3.44Å; K717-H737 PolarHBondContact O-N 3Å; S719-H737 PolarHBondContact OG-CD2 3.4Å; S719-H737 PolarHBondContact OG-NE2 3.13Å; V735-H737 PolarHBondContact O-CD2 2.82Å |
| 738 | H | 98.2 | Very high | 97.5 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 10% | 0.102 | 33% | 0.332 | C | S | . | . | trans | -78 | 151.4 | -180 | -61.5 | -62 | 0 | 0 | 0 | 111.8 | D716 I736 N740 G741 K742 E744 | D716-H738 VanDerWaalsContact CG-ND1 3.25Å; D716-H738 WeakPolarHBondContact OD1-CA 3.32Å; D716-H738 IonicContact OD1-CG 3.75Å; D716-H738 IonicContact OD1-ND1 2.74Å; D716-H738 PolarHBondContact OD1-ND1 2.7Å; D716-H738 IonicContact OD2-CE1 3.37Å; D716-H738 PolarHBondContact OD2-CE1 2.65Å; D716-H738 IonicContact OD2-ND1 3.55Å; D716-H738 PolarHBondContact OD2-ND1 2.63Å; I736-H738 VanDerWaalsContact CG2-CE1 3.49Å; I736-H738 WeakPolarHBondContact CG2-CE1 3.48Å; H738-N740 WeakPolarHBondContact CB-OD1 3.4Å; H738-N740 PolarHBondContact O-N 2.67Å; H738-N740 VanDerWaalsContact O-N 3.09Å; H738-G741 PolarHBondContact O-N 3.35Å; H738-K742 HydrophobicContact CB-CB 4.5Å; H738-K742 WeakPolarHBondContact CB-O 3.33Å; H738-K742 PolarHBondContact N-O 3.44Å; H738-E744 IonicContact NE2-OE1 3.44Å | ||
| 739 | E | 94.1 | Very high | 97.6 | Very high | 161 Ų | 161 | 61.2 Ų | 61.2 | 75% | 0.752 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.9 | 178.7 | -171.4 | 170.8 | -158.6 | 0 | 0 | 113.5 | S715 G741 | S715-E739 PolarHBondContact OG-OE2 3.49Å; E739-G741 PolarHBondContact O-N 3.3Å |
| 740 | N | 95.3 | Very high | 97.8 | Very high | 111 Ų | 111 | 58.7 Ų | 58.7 | 59% | 0.594 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 6.5 | 175.8 | 67.6 | 8.6 | 0 | 0 | 0 | 114.2 | H738 K742 | H738-N740 WeakPolarHBondContact CB-OD1 3.4Å; H738-N740 PolarHBondContact O-N 2.67Å; H738-N740 VanDerWaalsContact O-N 3.09Å; N740-K742 VanDerWaalsContact C-N 3.31Å; N740-K742 PolarHBondContact O-N 3.38Å; N740-K742 VanDerWaalsContact OD1-CB 3.27Å; N740-K742 WeakPolarHBondContact OD1-CB 3.47Å; N740-K742 WeakPolarHBondContact OD1-CG 3.38Å; N740-K742 PolarHBondContact OD1-N 2.95Å |
| 741 | G | 95.4 | Very high | 97.8 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 68% | 0.68 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 82.1 | -2.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H738 E739 | H738-G741 PolarHBondContact O-N 3.35Å; E739-G741 PolarHBondContact O-N 3.3Å |
| 742 | K | 97.5 | Very high | 97.8 | Very high | 140 Ų | 140 | 55 Ų | 55 | 61% | 0.609 | 28% | 0.284 | S | S | * | . | trans | -73.4 | 151.9 | 171.9 | -66.4 | -175 | 178.9 | -176.7 | 0 | 110.6 | H738 N740 | H738-K742 HydrophobicContact CB-CB 4.5Å; H738-K742 WeakPolarHBondContact CB-O 3.33Å; H738-K742 PolarHBondContact N-O 3.44Å; N740-K742 VanDerWaalsContact C-N 3.31Å; N740-K742 PolarHBondContact O-N 3.38Å; N740-K742 VanDerWaalsContact OD1-CB 3.27Å; N740-K742 WeakPolarHBondContact OD1-CB 3.47Å; N740-K742 WeakPolarHBondContact OD1-CG 3.38Å; N740-K742 PolarHBondContact OD1-N 2.95Å | ||
| 743 | T | 97.9 | Very high | 97.6 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.4 | 171.4 | 55.2 | 0 | 0 | 0 | 0 | 111 | V735 I736 | V735-T743 HydrophobicContact CG1-CG2 4.06Å; I736-T743 WeakPolarHBondContact O-CA 3.14Å |
| 744 | E | 97.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 41% | 0.407 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.3 | 170.6 | -69.2 | -171.4 | -149 | 0 | 0 | 109 | V735 I736 H738 | V735-E744 WeakPolarHBondContact CA-O 3.49Å; I736-E744 HydrophobicContact CD1-CB 4.48Å; I736-E744 PolarHBondContact N-O 3.09Å; I736-E744 PolarHBondContact O-N 3.48Å; H738-E744 IonicContact NE2-OE1 3.44Å |
| 745 | E | 98.3 | Very high | 97.3 | Very high | 89 Ų | 89 | 60.1 Ų | 60.1 | 42% | 0.416 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.2 | 177 | -170.8 | 172.5 | 146.1 | 0 | 0 | 110.3 | R733 C734 Q747 | R733-E745 IonicContact CZ-OE1 2.68Å; R733-E745 IonicContact CZ-OE2 2.75Å; R733-E745 IonicContact NE-OE1 2.56Å; R733-E745 PolarHBondContact NE-OE1 3.03Å; R733-E745 IonicContact NE-OE2 3.08Å; R733-E745 IonicContact NH2-OE1 3.54Å; R733-E745 IonicContact NH2-OE2 3.97Å; R733-E745 PolarHBondContact NH2-OE2 2.67Å; C734-E745 WeakPolarHBondContact O-CA 3.34Å; E745-Q747 PolarHBondContact OE1-NE2 2.86Å |
| 746 | V | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 158.5 | 173.1 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | D708 K711 C734 I736 L748 | D708-V746 HydrophobicContact CB-CB 4.39Å; D708-V746 HydrophobicContact CB-CG1 4.01Å; K711-V746 HydrophobicContact CD-CG1 4.2Å; C734-V746 HydrophobicContact CB-CG2 3.82Å; C734-V746 PolarHBondContact N-O 3.14Å; C734-V746 PolarHBondContact O-N 3.18Å; I736-V746 HydrophobicContact CD1-CG1 3.96Å; I736-V746 HydrophobicContact CD1-CG2 4.21Å; I736-V746 HydrophobicContact CG1-CG2 4.48Å; V746-L748 HydrophobicContact CG2-CD2 4.43Å |
| 747 | Q | 98.4 | Very high | 97.2 | Very high | 71 Ų | 71 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.7 | 176.9 | -63.7 | -62.6 | -42.1 | 0 | 0 | 110 | A704 P731 E745 | A704-Q747 HydrophobicContact CB-CB 3.93Å; A704-Q747 WeakPolarHBondContact CB-O 3.49Å; A704-Q747 PolarHBondContact N-O 3.24Å; P731-Q747 HydrophobicContact CB-CB 4.26Å; E745-Q747 PolarHBondContact OE1-NE2 2.86Å |
| 748 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.4 | 175.9 | -58.5 | -179.8 | 0 | 0 | 0 | 110.2 | I681 L701 T702 F703 L720 P731 V732 C734 V746 | I681-L748 HydrophobicContact CD1-CD1 3.88Å; I681-L748 HydrophobicContact CG1-CD1 4.18Å; I681-L748 HydrophobicContact CG2-CD1 3.76Å; I681-L748 HydrophobicContact CG2-CD2 3.6Å; I681-L748 HydrophobicContact CG2-CG 4.32Å; L701-L748 HydrophobicContact CB-CB 4.15Å; L701-L748 HydrophobicContact CB-CD1 4.12Å; L701-L748 HydrophobicContact CD1-CB 4.37Å; L701-L748 HydrophobicContact CD1-CD1 3.68Å; T702-L748 CarbonylContact O-C 3.34Å; T702-L748 WeakPolarHBondContact O-CA 3.21Å; F703-L748 HydrophobicContact CD1-CD2 3.55Å; F703-L748 HydrophobicContact CE1-CD2 3.96Å; F703-L748 HydrophobicContact CG-CD2 4.29Å; L720-L748 HydrophobicContact CD2-CD1 3.74Å; P731-L748 CarbonylContact C-O 3.47Å; P731-L748 VanDerWaalsContact CA-O 3.27Å; P731-L748 WeakPolarHBondContact CA-O 3.34Å; P731-L748 WeakPolarHBondContact CB-O 3.36Å; V732-L748 HydrophobicContact CB-CB 4.4Å; V732-L748 PolarHBondContact N-O 2.89Å; V732-L748 PolarHBondContact O-N 2.96Å; C734-L748 HydrophobicContact CB-CD1 3.55Å; C734-L748 HydrophobicContact CB-CG 3.69Å; V746-L748 HydrophobicContact CG2-CD2 4.43Å |
| 749 | L | 98.5 | Very high | 97.1 | Very high | 71 Ų | 71 | 60.1 Ų | 60.1 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 159.4 | 174.8 | -52.9 | 178.9 | 0 | 0 | 0 | 110.8 | L701 T702 A704 P731 | L701-L749 WeakPolarHBondContact CA-O 3.46Å; T702-L749 PolarHBondContact N-O 2.78Å; T702-L749 PolarHBondContact O-N 3.46Å; A704-L749 HydrophobicContact CB-CD1 4.34Å; A704-L749 HydrophobicContact CB-CD2 4.05Å; A704-L749 HydrophobicContact CB-CG 3.91Å; P731-L749 HydrophobicContact CB-CD2 4.19Å; P731-L749 HydrophobicContact CG-CD2 3.86Å |
| 750 | H | 98.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 53 Ų | 53 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | trans | -148.2 | 162.3 | 170.2 | 67.3 | 74.8 | 0 | 0 | 0 | 110.8 | L701 L726 Q727 K730 F752 | L701-H750 HydrophobicContact CD2-CB 3.91Å; L726-H750 WeakPolarHBondContact CD1-NE2 3.2Å; Q727-H750 PolarHBondContact O-CE1 3Å; Q727-H750 PolarHBondContact O-NE2 3.31Å; K730-H750 PolarHBondContact O-CD2 3.11Å; K730-H750 PolarHBondContact O-NE2 3.17Å; H750-F752 HydrophobicContact CB-CD2 3.87Å; H750-F752 AromaticContact CG-CD2 3.94Å; H750-F752 AromaticContact ND1-CD2 3.84Å; H750-F752 PolarHBondContact ND1-N 3.25Å | ||
| 751 | T | 97 | Very high | 97.4 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | trans | -111.8 | 14.9 | 178.7 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | Y81 E690 K694 N753 Q756 | Y81-T751 VanDerWaalsContact CE2-O 3.3Å; Y81-T751 WeakPolarHBondContact CE2-O 3.32Å; Y81-T751 PolarHBondContact OH-O 2.95Å; Y81-T751 PolarHBondContact OH-OG1 3.06Å; E690-T751 PolarHBondContact OE1-OG1 3.1Å; K694-T751 WeakPolarHBondContact CE-OG1 3.5Å; K694-T751 PolarHBondContact NZ-O 2.93Å; K694-T751 PolarHBondContact NZ-OG1 3.46Å; T751-N753 PolarHBondContact O-N 3.04Å; T751-Q756 PolarHBondContact O-OE1 3.02Å | ||
| 752 | F | 97.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | trans | -55.5 | 135.7 | 171.9 | -73.2 | -89.9 | 0 | 0 | 0 | 112.4 | K694 L699 P700 H750 Q756 I757 F760 | K694-F752 HydrophobicContact CB-CE1 3.95Å; K694-F752 HydrophobicContact CB-CZ 4.28Å; K694-F752 HydrophobicContact CD-CD1 4.27Å; K694-F752 HydrophobicContact CD-CE1 4.13Å; K694-F752 HydrophobicContact CD-CZ 4.43Å; K694-F752 HydrophobicContact CG-CD1 4.31Å; K694-F752 HydrophobicContact CG-CE1 3.68Å; K694-F752 HydrophobicContact CG-CE2 4.35Å; K694-F752 HydrophobicContact CG-CZ 3.7Å; L699-F752 HydrophobicContact CD2-CE2 4.07Å; L699-F752 HydrophobicContact CD2-CZ 4.24Å; P700-F752 HydrophobicContact CG-CE2 4.21Å; P700-F752 HydrophobicContact CG-CZ 4.33Å; H750-F752 HydrophobicContact CB-CD2 3.87Å; H750-F752 AromaticContact CG-CD2 3.94Å; H750-F752 AromaticContact ND1-CD2 3.84Å; H750-F752 PolarHBondContact ND1-N 3.25Å; F752-Q756 HydrophobicContact CB-CB 4.41Å; F752-Q756 VanDerWaalsContact CD1-C 3.5Å; F752-Q756 HydrophobicContact CD1-CB 3.46Å; F752-Q756 VanDerWaalsContact CD1-CB 3.46Å; F752-Q756 WeakPolarHBondContact CD1-O 3.32Å; F752-Q756 HydrophobicContact CE1-CB 4.16Å; F752-Q756 WeakPolarHBondContact CE1-O 3.25Å; F752-Q756 HydrophobicContact CG-CB 4.36Å; F752-I757 HydrophobicContact CB-CD1 4.47Å; F752-I757 HydrophobicContact CB-CG1 3.83Å; F752-I757 HydrophobicContact CD1-CG1 4.4Å; F752-I757 HydrophobicContact CG-CG1 4.36Å; F752-F760 HydrophobicContact CE1-CB 4.37Å | ||
| 753 | N | 95.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 17% | 0.166 | 21% | 0.205 | C | C | . | . | trans | -98.1 | -179.1 | 158 | 74.2 | -8.6 | 0 | 0 | 0 | 110.5 | Y81 E216 T751 N755 Q756 I757 | Y81-N753 HydrophobicContact CD2-CB 4.08Å; Y81-N753 HydrophobicContact CE2-CB 4.28Å; E216-N753 VanDerWaalsContact OE1-CG 3.29Å; E216-N753 PolarHBondContact OE1-ND2 3.49Å; T751-N753 PolarHBondContact O-N 3.04Å; N753-N755 VanDerWaalsContact C-N 3.35Å; N753-N755 PolarHBondContact O-N 2.78Å; N753-N755 PolarHBondContact OD1-N 3.46Å; N753-Q756 PolarHBondContact O-N 3.06Å; N753-Q756 WeakPolarHBondContact OD1-CB 3.43Å; N753-Q756 WeakPolarHBondContact OD1-CG 3.49Å; N753-Q756 PolarHBondContact OD1-N 3.34Å; N753-I757 WeakPolarHBondContact O-CG1 3.37Å; N753-I757 PolarHBondContact O-N 3.14Å | ||
| 754 | E | 95.3 | Very high | 97.4 | Very high | 110 Ų | 110 | 37.2 Ų | 37.2 | 51% | 0.514 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.1 | -45.9 | -179.5 | -64.8 | -61.8 | 163 | 0 | 0 | 112.9 | P728 Q756 I757 E758 | P728-E754 WeakPolarHBondContact CD-OE1 3.35Å; P728-E754 HydrophobicContact CG-CG 4.01Å; P728-E754 WeakPolarHBondContact CG-OE1 3.39Å; E754-Q756 VanDerWaalsContact C-N 3.35Å; E754-Q756 PolarHBondContact O-N 3.2Å; E754-I757 WeakPolarHBondContact O-CB 3.2Å; E754-I757 PolarHBondContact O-N 3.12Å; E754-E758 PolarHBondContact O-N 3.19Å |
| 755 | N | 93.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 33.3 Ų | 33.3 | 44% | 0.444 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | -179.8 | -73.1 | -17.2 | 0 | 0 | 0 | 112.2 | N753 I757 E758 W759 | N753-N755 VanDerWaalsContact C-N 3.35Å; N753-N755 PolarHBondContact O-N 2.78Å; N753-N755 PolarHBondContact OD1-N 3.46Å; N755-I757 VanDerWaalsContact C-N 3.34Å; N755-E758 WeakPolarHBondContact O-CB 3.37Å; N755-E758 PolarHBondContact O-N 3.12Å; N755-W759 PolarHBondContact O-N 3.47Å; N755-W759 PolarHBondContact O-NE1 3.44Å |
| 756 | Q | 97.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.5 | -30.9 | -179.9 | -64.8 | 166.5 | 10.9 | 0 | 0 | 111.7 | Y81 E216 K694 T751 F752 N753 E754 E758 W759 F760 | Y81-Q756 PolarHBondContact OH-OE1 3.09Å; E216-Q756 PolarHBondContact OE1-NE2 2.86Å; E216-Q756 VanDerWaalsContact OE1-NE2 3.08Å; E216-Q756 PolarHBondContact OE2-NE2 3.46Å; K694-Q756 HydrophobicContact CD-CG 4.46Å; T751-Q756 PolarHBondContact O-OE1 3.02Å; F752-Q756 HydrophobicContact CB-CB 4.41Å; F752-Q756 VanDerWaalsContact CD1-C 3.5Å; F752-Q756 HydrophobicContact CD1-CB 3.46Å; F752-Q756 VanDerWaalsContact CD1-CB 3.46Å; F752-Q756 WeakPolarHBondContact CD1-O 3.32Å; F752-Q756 HydrophobicContact CE1-CB 4.16Å; F752-Q756 WeakPolarHBondContact CE1-O 3.25Å; F752-Q756 HydrophobicContact CG-CB 4.36Å; N753-Q756 PolarHBondContact O-N 3.06Å; N753-Q756 WeakPolarHBondContact OD1-CB 3.43Å; N753-Q756 WeakPolarHBondContact OD1-CG 3.49Å; N753-Q756 PolarHBondContact OD1-N 3.34Å; E754-Q756 VanDerWaalsContact C-N 3.35Å; E754-Q756 PolarHBondContact O-N 3.2Å; Q756-E758 VanDerWaalsContact C-N 3.29Å; Q756-E758 PolarHBondContact O-N 3.46Å; Q756-W759 HydrophobicContact CB-CD2 4.44Å; Q756-W759 HydrophobicContact CB-CE3 4.14Å; Q756-W759 HydrophobicContact CB-CZ3 4.36Å; Q756-W759 HydrophobicContact CG-CD2 4.35Å; Q756-W759 HydrophobicContact CG-CE3 3.89Å; Q756-W759 HydrophobicContact CG-CH2 3.8Å; Q756-W759 HydrophobicContact CG-CZ2 4.27Å; Q756-W759 HydrophobicContact CG-CZ3 3.61Å; Q756-W759 WeakPolarHBondContact O-CB 3Å; Q756-W759 PolarHBondContact O-N 3.02Å; Q756-F760 PolarHBondContact O-N 3.46Å |
| 757 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 172.6 | -69.8 | 168.7 | 0 | 0 | 0 | 110.1 | L726 P728 F752 N753 E754 N755 W759 F760 K761 | L726-I757 HydrophobicContact CD2-CG1 4.05Å; L726-I757 HydrophobicContact CD2-CG2 4.34Å; L726-I757 HydrophobicContact CG-CD1 4.24Å; L726-I757 HydrophobicContact CG-CG1 4.24Å; P728-I757 HydrophobicContact CG-CD1 4.14Å; F752-I757 HydrophobicContact CB-CD1 4.47Å; F752-I757 HydrophobicContact CB-CG1 3.83Å; F752-I757 HydrophobicContact CD1-CG1 4.4Å; F752-I757 HydrophobicContact CG-CG1 4.36Å; N753-I757 WeakPolarHBondContact O-CG1 3.37Å; N753-I757 PolarHBondContact O-N 3.14Å; E754-I757 WeakPolarHBondContact O-CB 3.2Å; E754-I757 PolarHBondContact O-N 3.12Å; N755-I757 VanDerWaalsContact C-N 3.34Å; I757-W759 VanDerWaalsContact C-N 3.27Å; I757-W759 PolarHBondContact O-N 3.08Å; I757-F760 WeakPolarHBondContact O-CB 3.28Å; I757-F760 PolarHBondContact O-N 3.24Å; I757-K761 HydrophobicContact CG2-CD 4.24Å; I757-K761 HydrophobicContact CG2-CG 4.42Å; I757-K761 WeakPolarHBondContact O-CG 3.19Å; I757-K761 PolarHBondContact O-N 3.09Å |
| 758 | E | 97.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65 | -30.1 | 175.6 | -64.7 | -55.3 | 124.7 | 0 | 0 | 112.6 | E754 N755 Q756 K761 A762 | E754-E758 PolarHBondContact O-N 3.19Å; N755-E758 WeakPolarHBondContact O-CB 3.37Å; N755-E758 PolarHBondContact O-N 3.12Å; Q756-E758 VanDerWaalsContact C-N 3.29Å; Q756-E758 PolarHBondContact O-N 3.46Å; E758-K761 PolarHBondContact O-N 3.05Å; E758-K761 WeakPolarHBondContact OE1-CD 3.23Å; E758-K761 IonicContact OE1-NZ 3.1Å; E758-K761 PolarHBondContact OE1-NZ 3.49Å; E758-A762 VanDerWaalsContact O-CB 3.28Å; E758-A762 WeakPolarHBondContact O-CB 3.15Å; E758-A762 PolarHBondContact O-N 2.87Å |
| 759 | W | 97.6 | Very high | 96.1 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 171.7 | -54.4 | -12.2 | 0 | 0 | 0 | 111.5 | K694 K695 N755 Q756 I757 A762 G763 S764 A765 | K694-W759 HydrophobicContact CB-CE3 4.25Å; K694-W759 HydrophobicContact CB-CZ3 4.46Å; K695-W759 HydrophobicContact CD-CD2 4.47Å; K695-W759 HydrophobicContact CD-CE3 3.87Å; K695-W759 HydrophobicContact CD-CH2 4Å; K695-W759 HydrophobicContact CD-CZ3 3.59Å; K695-W759 HydrophobicContact CG-CE3 4.38Å; K695-W759 HydrophobicContact CG-CZ3 4.04Å; N755-W759 PolarHBondContact O-N 3.47Å; N755-W759 PolarHBondContact O-NE1 3.44Å; Q756-W759 HydrophobicContact CB-CD2 4.44Å; Q756-W759 HydrophobicContact CB-CE3 4.14Å; Q756-W759 HydrophobicContact CB-CZ3 4.36Å; Q756-W759 HydrophobicContact CG-CD2 4.35Å; Q756-W759 HydrophobicContact CG-CE3 3.89Å; Q756-W759 HydrophobicContact CG-CH2 3.8Å; Q756-W759 HydrophobicContact CG-CZ2 4.27Å; Q756-W759 HydrophobicContact CG-CZ3 3.61Å; Q756-W759 WeakPolarHBondContact O-CB 3Å; Q756-W759 PolarHBondContact O-N 3.02Å; I757-W759 VanDerWaalsContact C-N 3.27Å; I757-W759 PolarHBondContact O-N 3.08Å; W759-A762 PolarHBondContact O-N 3.28Å; W759-G763 CarbonylContact O-C 3.52Å; W759-G763 PolarHBondContact O-N 2.97Å; W759-G763 VanDerWaalsContact O-N 3.09Å; W759-S764 CarbonylContact O-C 3.52Å; W759-S764 WeakPolarHBondContact O-CA 3.3Å; W759-S764 PolarHBondContact O-N 2.96Å; W759-A765 HydrophobicContact CB-CB 4.12Å; W759-A765 HydrophobicContact CD2-CB 3.66Å; W759-A765 HydrophobicContact CE3-CB 4.09Å; W759-A765 HydrophobicContact CG-CB 3.65Å |
| 760 | F | 98.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -50.2 | 174.3 | 163.8 | -105.4 | 0 | 0 | 0 | 111 | W568 L699 L723 L726 F752 Q756 I757 A762 G763 | W568-F760 HydrophobicContact CB-CZ 4.46Å; W568-F760 AromaticContact CD1-CZ 3.76Å; W568-F760 AromaticContact CD2-CE1 3.7Å; W568-F760 HydrophobicContact CD2-CE1 3.7Å; W568-F760 AromaticContact CD2-CZ 3.93Å; W568-F760 HydrophobicContact CD2-CZ 3.93Å; W568-F760 AromaticContact CE2-CE1 3.95Å; W568-F760 AromaticContact CE2-CZ 3.98Å; W568-F760 HydrophobicContact CE3-CE1 4.03Å; W568-F760 AromaticContact CG-CE1 3.97Å; W568-F760 HydrophobicContact CG-CE1 3.97Å; W568-F760 AromaticContact CG-CZ 3.79Å; W568-F760 HydrophobicContact CG-CZ 3.79Å; W568-F760 HydrophobicContact CZ2-CE1 4.48Å; W568-F760 AromaticContact NE1-CZ 3.87Å; L699-F760 HydrophobicContact CD1-CE2 3.96Å; L699-F760 HydrophobicContact CD1-CZ 4.23Å; L699-F760 HydrophobicContact CD2-CD2 3.76Å; L699-F760 HydrophobicContact CD2-CE2 3.82Å; L699-F760 HydrophobicContact CD2-CG 4.14Å; L699-F760 HydrophobicContact CD2-CZ 4.25Å; L699-F760 HydrophobicContact CG-CD2 4Å; L699-F760 HydrophobicContact CG-CE2 3.74Å; L699-F760 HydrophobicContact CG-CZ 4.39Å; L723-F760 HydrophobicContact CD1-CZ 4.45Å; L726-F760 HydrophobicContact CD2-CD1 4.16Å; L726-F760 HydrophobicContact CD2-CE1 4.49Å; F752-F760 HydrophobicContact CE1-CB 4.37Å; Q756-F760 PolarHBondContact O-N 3.46Å; I757-F760 WeakPolarHBondContact O-CB 3.28Å; I757-F760 PolarHBondContact O-N 3.24Å; F760-A762 PolarHBondContact O-N 3.44Å; F760-G763 WeakPolarHBondContact O-CA 3.44Å; F760-G763 PolarHBondContact O-N 3.36Å |
| 761 | K | 97.8 | Very high | 95 | Very high | 64 Ų | 64 | 35.9 Ų | 35.9 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 179.9 | -68.8 | 176.4 | -175.5 | 162.2 | 0 | 112.2 | K567 W568 I757 E758 G763 | K567-K761 WeakPolarHBondContact CG-O 3.46Å; W568-K761 HydrophobicContact CE3-CB 4.35Å; W568-K761 HydrophobicContact CE3-CG 3.85Å; W568-K761 HydrophobicContact CZ3-CG 4.13Å; W568-K761 PolarHBondContact N-O 3.04Å; W568-K761 VanDerWaalsContact N-O 3.14Å; I757-K761 HydrophobicContact CG2-CD 4.24Å; I757-K761 HydrophobicContact CG2-CG 4.42Å; I757-K761 WeakPolarHBondContact O-CG 3.19Å; I757-K761 PolarHBondContact O-N 3.09Å; E758-K761 PolarHBondContact O-N 3.05Å; E758-K761 WeakPolarHBondContact OE1-CD 3.23Å; E758-K761 IonicContact OE1-NZ 3.1Å; E758-K761 PolarHBondContact OE1-NZ 3.49Å; K761-G763 PolarHBondContact O-N 3.26Å |
| 762 | A | 97.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -14.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E758 W759 F760 S764 N767 R768 | E758-A762 VanDerWaalsContact O-CB 3.28Å; E758-A762 WeakPolarHBondContact O-CB 3.15Å; E758-A762 PolarHBondContact O-N 2.87Å; W759-A762 PolarHBondContact O-N 3.28Å; F760-A762 PolarHBondContact O-N 3.44Å; A762-S764 VanDerWaalsContact C-N 3.31Å; A762-N767 HydrophobicContact CB-CB 4.07Å; A762-N767 WeakPolarHBondContact O-CB 3.49Å; A762-N767 PolarHBondContact O-ND2 3.25Å; A762-R768 HydrophobicContact CB-CB 3.83Å |
| 763 | G | 97.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -13.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R673 W759 F760 K761 | R673-G763 PolarHBondContact NH2-O 3.05Å; W759-G763 CarbonylContact O-C 3.52Å; W759-G763 PolarHBondContact O-N 2.97Å; W759-G763 VanDerWaalsContact O-N 3.09Å; F760-G763 WeakPolarHBondContact O-CA 3.44Å; F760-G763 PolarHBondContact O-N 3.36Å; K761-G763 PolarHBondContact O-N 3.26Å |
| 764 | S | 97.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -170.1 | 163.6 | 166.2 | 67 | 0 | 0 | 0 | 0 | 110.1 | K695 W759 A762 L766 N767 R768 | K695-S764 CarbonylContact O-C 3.51Å; K695-S764 WeakPolarHBondContact O-CA 3.41Å; K695-S764 WeakPolarHBondContact O-CB 3.46Å; W759-S764 CarbonylContact O-C 3.52Å; W759-S764 WeakPolarHBondContact O-CA 3.3Å; W759-S764 PolarHBondContact O-N 2.96Å; A762-S764 VanDerWaalsContact C-N 3.31Å; S764-L766 VanDerWaalsContact C-N 3.29Å; S764-L766 PolarHBondContact O-N 3.16Å; S764-N767 PolarHBondContact O-N 3.2Å; S764-N767 WeakPolarHBondContact OG-CB 3.25Å; S764-N767 PolarHBondContact OG-N 2.99Å; S764-N767 PolarHBondContact OG-OD1 2.89Å; S764-R768 PolarHBondContact O-N 2.7Å; S764-R768 VanDerWaalsContact O-N 3.13Å |
| 765 | A | 95.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -34.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K695 W759 R768 M769 | K695-A765 HydrophobicContact CB-CB 4.48Å; K695-A765 HydrophobicContact CD-CB 3.39Å; K695-A765 PolarHBondContact O-N 2.78Å; W759-A765 HydrophobicContact CB-CB 4.12Å; W759-A765 HydrophobicContact CD2-CB 3.66Å; W759-A765 HydrophobicContact CE3-CB 4.09Å; W759-A765 HydrophobicContact CG-CB 3.65Å; A765-R768 WeakPolarHBondContact O-CB 3.16Å; A765-R768 PolarHBondContact O-N 3.32Å; A765-M769 PolarHBondContact O-N 3.24Å |
| 766 | L | 92.6 | Very high | 87.5 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.2 | -176.9 | 63.8 | 0 | 0 | 0 | 111.6 | Q102 S764 R768 M769 R770 | Q102-L766 HydrophobicContact CB-CD2 4.29Å; Q102-L766 HydrophobicContact CG-CD2 4.21Å; S764-L766 VanDerWaalsContact C-N 3.29Å; S764-L766 PolarHBondContact O-N 3.16Å; L766-R768 VanDerWaalsContact C-N 3.33Å; L766-R768 PolarHBondContact O-N 3.39Å; L766-M769 WeakPolarHBondContact O-CB 3.39Å; L766-M769 PolarHBondContact O-N 3.2Å; L766-R770 WeakPolarHBondContact O-CG 3.41Å; L766-R770 PolarHBondContact O-N 2.87Å; L766-R770 VanDerWaalsContact O-N 3.09Å |
| 767 | N | 93.7 | Very high | 84.6 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 173.3 | -70.7 | 2.3 | 0 | 0 | 0 | 110.7 | F565 A762 S764 M769 R770 E771 | F565-N767 PolarHBondContact O-ND2 2.89Å; A762-N767 HydrophobicContact CB-CB 4.07Å; A762-N767 WeakPolarHBondContact O-CB 3.49Å; A762-N767 PolarHBondContact O-ND2 3.25Å; S764-N767 PolarHBondContact O-N 3.2Å; S764-N767 WeakPolarHBondContact OG-CB 3.25Å; S764-N767 PolarHBondContact OG-N 2.99Å; S764-N767 PolarHBondContact OG-OD1 2.89Å; N767-M769 VanDerWaalsContact C-N 3.32Å; N767-M769 PolarHBondContact O-N 2.75Å; N767-R770 PolarHBondContact O-N 3.12Å; N767-E771 PolarHBondContact O-N 2.85Å |
| 768 | R | 93.6 | Very high | 83.9 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 177.9 | -176.6 | 57.7 | -179.5 | 159.5 | 0.7 | 112.1 | A762 S764 A765 L766 R770 E771 L772 | A762-R768 HydrophobicContact CB-CB 3.83Å; S764-R768 PolarHBondContact O-N 2.7Å; S764-R768 VanDerWaalsContact O-N 3.13Å; A765-R768 WeakPolarHBondContact O-CB 3.16Å; A765-R768 PolarHBondContact O-N 3.32Å; L766-R768 VanDerWaalsContact C-N 3.33Å; L766-R768 PolarHBondContact O-N 3.39Å; R768-R770 VanDerWaalsContact C-N 3.34Å; R768-R770 PolarHBondContact O-N 2.83Å; R768-E771 IonicContact NH1-OE2 3.74Å; R768-E771 PolarHBondContact NH1-OE2 2.82Å; R768-E771 VanDerWaalsContact NH1-OE2 3.1Å; R768-E771 PolarHBondContact O-N 3.46Å; R768-L772 HydrophobicContact CG-CD1 4.37Å; R768-L772 WeakPolarHBondContact O-CG 3.36Å; R768-L772 PolarHBondContact O-N 3.28Å; R768-L772 VanDerWaalsContact O-N 3.08Å |
| 769 | M | 88.5 | Confident | 83.2 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 175.1 | -175 | -175.4 | -57.2 | 0 | 0 | 111.6 | V207 A211 L213 A765 L766 N767 L772 G773 | V207-M769 HydrophobicContact CG1-CE 4.02Å; V207-M769 HydrophobicContact CG1-SD 4.43Å; A211-M769 HydrophobicContact CB-CE 4.32Å; A211-M769 HydrophobicContact CB-SD 4.05Å; L213-M769 HydrophobicContact CD1-CE 3.55Å; L213-M769 HydrophobicContact CD1-CG 4.12Å; L213-M769 HydrophobicContact CD1-SD 4.29Å; A765-M769 PolarHBondContact O-N 3.24Å; L766-M769 WeakPolarHBondContact O-CB 3.39Å; L766-M769 PolarHBondContact O-N 3.2Å; N767-M769 VanDerWaalsContact C-N 3.32Å; N767-M769 PolarHBondContact O-N 2.75Å; M769-L772 PolarHBondContact O-N 3.46Å; M769-G773 PolarHBondContact O-N 3.5Å |
| 770 | R | 86.2 | Confident | 82.4 | Confident | 119 Ų | 119 | 62.5 Ų | 62.5 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 177.4 | -66.8 | -177.4 | 84.6 | -175.3 | 7.4 | 112.7 | S105 L766 N767 R768 L772 G773 S774 | S105-R770 PolarHBondContact O-NE 3.46Å; L766-R770 WeakPolarHBondContact O-CG 3.41Å; L766-R770 PolarHBondContact O-N 2.87Å; L766-R770 VanDerWaalsContact O-N 3.09Å; N767-R770 PolarHBondContact O-N 3.12Å; R768-R770 VanDerWaalsContact C-N 3.34Å; R768-R770 PolarHBondContact O-N 2.83Å; R770-L772 VanDerWaalsContact C-N 3.31Å; R770-L772 PolarHBondContact O-N 3.19Å; R770-G773 PolarHBondContact O-N 2.94Å; R770-S774 WeakPolarHBondContact O-CB 3.46Å; R770-S774 PolarHBondContact O-N 2.63Å; R770-S774 PolarHBondContact O-OG 2.97Å |
| 771 | E | 87.8 | Confident | 81.4 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 174.5 | -72.1 | -179.2 | 167.5 | 0 | 0 | 111.2 | K567 N767 R768 Q775 | K567-E771 IonicContact NZ-OE1 3.55Å; K567-E771 PolarHBondContact NZ-OE1 3.14Å; N767-E771 PolarHBondContact O-N 2.85Å; R768-E771 IonicContact NH1-OE2 3.74Å; R768-E771 PolarHBondContact NH1-OE2 2.82Å; R768-E771 VanDerWaalsContact NH1-OE2 3.1Å; R768-E771 PolarHBondContact O-N 3.46Å; E771-Q775 WeakPolarHBondContact O-CG 3.45Å |
| 772 | L | 83.6 | Confident | 80.4 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.7 | -40.8 | 179.2 | -68.1 | 172.6 | 0 | 0 | 0 | 112.8 | R768 M769 R770 S774 Q775 Q776 | R768-L772 HydrophobicContact CG-CD1 4.37Å; R768-L772 WeakPolarHBondContact O-CG 3.36Å; R768-L772 PolarHBondContact O-N 3.28Å; R768-L772 VanDerWaalsContact O-N 3.08Å; M769-L772 PolarHBondContact O-N 3.46Å; R770-L772 VanDerWaalsContact C-N 3.31Å; R770-L772 PolarHBondContact O-N 3.19Å; L772-S774 VanDerWaalsContact C-N 3.3Å; L772-S774 PolarHBondContact O-N 2.86Å; L772-Q775 PolarHBondContact O-N 2.85Å; L772-Q775 VanDerWaalsContact O-N 3.16Å; L772-Q776 PolarHBondContact O-N 3.46Å |
| 773 | G | 73.8 | Confident | 79.3 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M769 R770 Q775 Q776 | M769-G773 PolarHBondContact O-N 3.5Å; R770-G773 PolarHBondContact O-N 2.94Å; G773-Q775 PolarHBondContact O-N 2.86Å; G773-Q776 PolarHBondContact O-N 3.46Å |
| 774 | S | 64.5 | Low | 78 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73.5 | -11.7 | 176.1 | -49.5 | 0 | 0 | 0 | 0 | 113.5 | R770 L772 | R770-S774 WeakPolarHBondContact O-CB 3.46Å; R770-S774 PolarHBondContact O-N 2.63Å; R770-S774 PolarHBondContact O-OG 2.97Å; L772-S774 VanDerWaalsContact C-N 3.3Å; L772-S774 PolarHBondContact O-N 2.86Å |
| 775 | Q | 55.1 | Low | 76.6 | Confident | 146 Ų | 146 | 80.3 Ų | 80.3 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -93.4 | -15.9 | 174.7 | -72.1 | 176.6 | -5.3 | 0 | 0 | 112.7 | E771 L772 G773 | E771-Q775 WeakPolarHBondContact O-CG 3.45Å; L772-Q775 PolarHBondContact O-N 2.85Å; L772-Q775 VanDerWaalsContact O-N 3.16Å; G773-Q775 PolarHBondContact O-N 2.86Å |
| 776 | Q | 45.7 | Very low | 75 | Confident | 173 Ų | 173 | 86.5 Ų | 86.5 | 81% | 0.808 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -93.5 | -12.4 | 178.1 | -71.7 | -175.3 | -8.6 | 0 | 0 | 113.2 | L772 G773 | L772-Q776 PolarHBondContact O-N 3.46Å; G773-Q776 PolarHBondContact O-N 3.46Å |
| 777 | H | 35.1 | Very low | 73.4 | Confident | 222 Ų | 222 | 92.3 Ų | 92.3 | 100% | 1.028 | 46% | 0.455 | S | S | * | . | trans | -107.3 | 0 | 168.9 | -67.9 | -50.7 | 0 | 0 | 0 | 109.4 |
Retrieved 777 of 777 residues in 919 ms
(Link to these results)