| 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 | 56.6 | Low | 49.5 | Very low | 244 Ų | 244 | 165.3 Ų | 165.3 | 100% | 1.202 | 81% | 0.811 | S | S | * | * | 0 | 105.6 | 0 | -67.5 | -166.8 | -138.2 | 0 | 0 | 108.1 | |||||
| 2 | L | 40.1 | Very low | 49.8 | Very low | 169 Ų | 169 | 167.3 Ų | 167.3 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -86.7 | 110.8 | -170.9 | -161.7 | 73.2 | 0 | 0 | 0 | 109.1 | V4 | L2-V4 PolarHBondContact O-N 3.17Š| ||
| 3 | K | 42.7 | Very low | 49.6 | Very low | 176 Ų | 176 | 171.5 Ų | 171.5 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | -80.1 | 110 | 177.2 | -80.1 | -177.2 | 173.3 | -179.3 | 0 | 109.6 | Y5 | K3-Y5 HydrophobicContact CB-CE2 4.44Š| ||
| 4 | V | 49.8 | Very low | 49.5 | Very low | 119 Ų | 119 | 163.5 Ų | 163.5 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -84.5 | 117.5 | 170.8 | 176.7 | 0 | 0 | 0 | 0 | 108 | L2 I6 | L2-V4 PolarHBondContact O-N 3.17Å; V4-I6 HydrophobicContact CG1-CG1 4.43Å | ||
| 5 | Y | 49 | Very low | 49.7 | Very low | 203 Ų | 203 | 163 Ų | 163 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -89.6 | 116.3 | 170.7 | -78.6 | -89.9 | 0 | 0 | 0 | 108.8 | K3 | K3-Y5 HydrophobicContact CB-CE2 4.44Š| ||
| 6 | I | 53.7 | Low | 49.8 | Very low | 141 Ų | 141 | 164.4 Ų | 164.4 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | trans | -87.3 | 113.2 | 173.3 | -64.7 | 174.1 | 0 | 0 | 0 | 107.6 | V4 F8 | V4-I6 HydrophobicContact CG1-CG1 4.43Å; I6-F8 HydrophobicContact CG2-CD2 4.44Å; I6-F8 PolarHBondContact O-N 3.2Å | ||
| 7 | L | 46.9 | Very low | 50 | Low | 158 Ų | 158 | 159.8 Ų | 159.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -80.4 | 111 | 174.1 | -160.1 | 85.1 | 0 | 0 | 0 | 108.7 | L9 | L7-L9 PolarHBondContact O-N 3.48Š| ||
| 8 | F | 50.1 | Low | 50.1 | Low | 184 Ų | 184 | 162.6 Ų | 162.6 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -76.9 | 107.4 | 171.3 | -102.8 | -93.2 | 0 | 0 | 0 | 109.5 | I6 I10 | I6-F8 HydrophobicContact CG2-CD2 4.44Å; I6-F8 PolarHBondContact O-N 3.2Å; F8-I10 PolarHBondContact O-N 2.72Å | ||
| 9 | L | 45.8 | Very low | 50.4 | Low | 148 Ų | 148 | 160.3 Ų | 160.3 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -74.4 | 99.8 | 165.8 | -94.1 | 151.6 | 0 | 0 | 0 | 108.7 | L7 I11 | L7-L9 PolarHBondContact O-N 3.48Å; L9-I11 PolarHBondContact O-N 2.84Å | ||
| 10 | I | 55.7 | Low | 50.8 | Low | 135 Ų | 135 | 156.6 Ų | 156.6 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -75.8 | 102.1 | 167.5 | -62.1 | 175.1 | 0 | 0 | 0 | 107 | F8 F12 | F8-I10 PolarHBondContact O-N 2.72Å; I10-F12 HydrophobicContact CG2-CD2 4.17Å; I10-F12 HydrophobicContact CG2-CE2 4.4Å; I10-F12 PolarHBondContact O-N 3.1Å; I10-F12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | I | 53.7 | Low | 51.5 | Low | 141 Ų | 141 | 155.9 Ų | 155.9 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | -73.9 | 98 | 170.5 | -56.2 | 174.3 | 0 | 0 | 0 | 106.7 | L9 R13 | L9-I11 PolarHBondContact O-N 2.84Å; I11-R13 VanDerWaalsContact C-N 3.33Å; I11-R13 PolarHBondContact O-N 3.14Å | ||
| 12 | F | 53.3 | Low | 52.3 | Low | 190 Ų | 190 | 150.3 Ų | 150.3 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | trans | -61.9 | 97.8 | 163.4 | -100 | -92.6 | 0 | 0 | 0 | 107.7 | I10 G14 | I10-F12 HydrophobicContact CG2-CD2 4.17Å; I10-F12 HydrophobicContact CG2-CE2 4.4Å; I10-F12 PolarHBondContact O-N 3.1Å; I10-F12 VanDerWaalsContact O-N 3.1Å; F12-G14 PolarHBondContact O-N 2.7Å | ||
| 13 | R | 47.2 | Very low | 54.6 | Low | 222 Ų | 222 | 145.6 Ų | 145.6 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -68.3 | 89.5 | 159.6 | -78.7 | -169.8 | 174.4 | -171.1 | -1 | 106.7 | I11 I15 | I11-R13 VanDerWaalsContact C-N 3.33Å; I11-R13 PolarHBondContact O-N 3.14Å; R13-I15 PolarHBondContact O-N 3.46Å | ||
| 14 | G | 48.6 | Very low | 57 | Low | 59 Ų | 59 | 144.1 Ų | 144.1 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | trans | -56.8 | 105.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | F12 F16 | F12-G14 PolarHBondContact O-N 2.7Å; G14-F16 PolarHBondContact O-N 3.05Å | ||
| 15 | I | 52.7 | Low | 59.1 | Low | 156 Ų | 156 | 140.8 Ų | 140.8 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | trans | -67.8 | 93.6 | 166.3 | -60.4 | 169.7 | 0 | 0 | 0 | 104.2 | R13 A17 | R13-I15 PolarHBondContact O-N 3.46Å; I15-A17 PolarHBondContact O-N 3.33Å | ||
| 16 | F | 51.1 | Low | 61.4 | Low | 185 Ų | 185 | 136.2 Ų | 136.2 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | trans | -60.9 | 98.5 | 160.3 | -93.9 | -88.9 | 0 | 0 | 0 | 105.8 | G14 Y18 | G14-F16 PolarHBondContact O-N 3.05Å; F16-Y18 PolarHBondContact O-N 3.27Å | ||
| 17 | A | 53 | Low | 63.5 | Low | 87 Ų | 87 | 129.5 Ų | 129.5 | 72% | 0.719 | 63% | 0.634 | S | S | * | * | trans | -62.2 | 105.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | I15 | I15-A17 PolarHBondContact O-N 3.33Š| ||
| 18 | Y | 51.1 | Low | 65.9 | Low | 209 Ų | 209 | 125.8 Ų | 125.8 | 82% | 0.82 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 133.7 | 169.4 | -83.1 | -94.6 | 0 | 0 | 0 | 107.9 | F16 K20 | F16-Y18 PolarHBondContact O-N 3.27Å; Y18-K20 PolarHBondContact O-N 3.34Å |
| 19 | P | 55.6 | Low | 68.1 | Low | 119 Ų | 119 | 117 Ų | 117 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 129.9 | 177.4 | 22.8 | -31.1 | 0 | 0 | 0 | 108.6 | E21 | P19-E21 PolarHBondContact O-N 3.43Å; P19-E21 VanDerWaalsContact O-N 3.17Å |
| 20 | K | 59.9 | Low | 70.5 | Confident | 86 Ų | 86 | 113.8 Ų | 113.8 | 37% | 0.374 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 122.4 | 174.7 | -72.1 | -177.5 | 167.1 | -168.4 | 0 | 107.8 | Y18 K22 D119 Q158 T160 P161 | Y18-K20 PolarHBondContact O-N 3.34Å; K20-K22 PolarHBondContact O-N 2.94Å; K20-D119 IonicContact NZ-OD1 2.74Å; K20-Q158 VanDerWaalsContact NZ-NE2 3.16Å; K20-T160 VanDerWaalsContact CD-OG1 3.23Å; K20-T160 WeakPolarHBondContact CD-OG1 3.38Å; K20-T160 VanDerWaalsContact CE-OG1 3.25Å; K20-T160 WeakPolarHBondContact CE-OG1 3.33Å; K20-T160 WeakPolarHBondContact CG-OG1 3.29Å; K20-P161 PolarHBondContact NZ-O 3.04Å; K20-P161 VanDerWaalsContact NZ-O 3.1Å |
| 21 | E | 64.6 | Low | 72.4 | Confident | 143 Ų | 143 | 108.2 Ų | 108.2 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | trans | -62.2 | 108.5 | 177 | -170.4 | 172.5 | -166.8 | 0 | 0 | 108.3 | P19 | P19-E21 PolarHBondContact O-N 3.43Å; P19-E21 VanDerWaalsContact O-N 3.17Å | ||
| 22 | K | 73.8 | Confident | 74.3 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.2 | 175 | -74.1 | -173.1 | 168.5 | -159.3 | 0 | 108 | K20 T156 T157 | K20-K22 PolarHBondContact O-N 2.94Å; K22-T156 HydrophobicContact CB-CG2 4.24Å; K22-T156 HydrophobicContact CD-CG2 3.8Å; K22-T156 HydrophobicContact CG-CG2 4.2Å; K22-T157 CarbonylContact C-O 3.55Å; K22-T157 WeakPolarHBondContact CA-O 3.19Å |
| 23 | N | 87.6 | Confident | 76.3 | Confident | 71 Ų | 71 | 93.7 Ų | 93.7 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 159.1 | 174 | -68.9 | -32.5 | 0 | 0 | 0 | 110 | T157 | N23-T157 PolarHBondContact N-O 3.27Å; N23-T157 PolarHBondContact O-N 2.94Å; N23-T157 PolarHBondContact O-OG1 3.18Å |
| 24 | K | 92.8 | Very high | 78.5 | Confident | 144 Ų | 144 | 83.1 Ų | 83.1 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135 | 172.4 | -69.9 | -178.4 | 164.2 | -146.4 | 0 | 109.3 | E154 L155 | K24-E154 HydrophobicContact CB-CG 4.43Å; K24-E154 HydrophobicContact CD-CG 4.35Å; K24-E154 WeakPolarHBondContact CD-OE2 3.43Å; K24-E154 VanDerWaalsContact CE-OE1 3.26Å; K24-E154 WeakPolarHBondContact CE-OE1 3.24Å; K24-E154 HydrophobicContact CG-CG 4.46Å; K24-E154 IonicContact NZ-OE1 3.19Å; K24-E154 PolarHBondContact NZ-OE1 2.85Å; K24-E154 IonicContact NZ-OE2 2.78Å; K24-E154 PolarHBondContact NZ-OE2 2.96Å; K24-L155 WeakPolarHBondContact CA-O 3.42Å |
| 25 | Y | 95 | Very high | 80.5 | Confident | 50 Ų | 50 | 86.3 Ų | 86.3 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.1 | 174.3 | -176 | -79.6 | 0 | 0 | 0 | 109 | I27 Q45 F52 L133 L155 | Y25-I27 HydrophobicContact CE1-CB 4.31Å; Y25-Q45 VanDerWaalsContact CZ-OE1 3.28Å; Y25-Q45 WeakPolarHBondContact OH-CB 3.48Å; Y25-Q45 PolarHBondContact OH-OE1 3.28Å; Y25-F52 HydrophobicContact CD2-CE1 4.3Å; Y25-F52 HydrophobicContact CD2-CZ 4.05Å; Y25-F52 HydrophobicContact CE2-CE1 4.18Å; Y25-F52 HydrophobicContact CE2-CZ 4.07Å; Y25-F52 HydrophobicContact CG-CZ 4.35Å; Y25-L133 HydrophobicContact CD1-CD1 4.34Å; Y25-L133 HydrophobicContact CE1-CD1 3.79Å; Y25-L155 HydrophobicContact CD1-CD1 4Å; Y25-L155 PolarHBondContact N-O 2.83Å; Y25-L155 WeakPolarHBondContact O-CB 3.37Å; Y25-L155 PolarHBondContact O-N 2.77Å |
| 26 | E | 96.6 | Very high | 82.1 | Confident | 106 Ų | 106 | 82.8 Ų | 82.8 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.8 | -179.1 | -69.4 | -171.6 | -174.2 | 0 | 0 | 111.7 | Q45 E154 | E26-Q45 PolarHBondContact O-NE2 3.08Å; E26-Q45 VanDerWaalsContact O-NE2 3.08Å; E26-Q45 PolarHBondContact O-OE1 3.48Å; E26-E154 HydrophobicContact CG-CB 4.48Å; E26-E154 HydrophobicContact CG-CG 4.35Å |
| 27 | I | 97.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 108.8 | 168.8 | -173.1 | 169.2 | 0 | 0 | 0 | 108.5 | Y25 Y43 Q45 L71 L133 L135 G152 L153 L155 | Y25-I27 HydrophobicContact CE1-CB 4.31Å; I27-Y43 HydrophobicContact CG1-CD1 3.92Å; I27-Y43 HydrophobicContact CG1-CE1 4.2Å; I27-Q45 HydrophobicContact CD1-CB 4.32Å; I27-Q45 HydrophobicContact CD1-CG 4.3Å; I27-Q45 HydrophobicContact CG1-CG 4.19Å; I27-L71 HydrophobicContact CD1-CD1 4.1Å; I27-L71 HydrophobicContact CG2-CD1 3.98Å; I27-L133 HydrophobicContact CD1-CB 3.78Å; I27-L135 HydrophobicContact CD1-CB 3.81Å; I27-L135 HydrophobicContact CG1-CB 3.85Å; I27-L135 HydrophobicContact CG1-CD2 4.47Å; I27-L135 HydrophobicContact CG2-CD1 4.48Å; I27-G152 WeakPolarHBondContact O-CA 3.44Å; I27-L153 HydrophobicContact CG2-CB 4.06Å; I27-L153 PolarHBondContact N-O 3.45Å; I27-L153 PolarHBondContact O-N 3.45Å; I27-L155 HydrophobicContact CG2-CD1 4.5Å |
| 28 | R | 97.5 | Very high | 85.4 | Confident | 80 Ų | 80 | 73.4 Ų | 73.4 | 30% | 0.302 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.9 | -173.3 | -61.8 | -175.9 | 65.8 | 179.5 | -0.5 | 110.1 | Y43 T150 | R28-Y43 VanDerWaalsContact O-CD1 3.25Å; R28-Y43 WeakPolarHBondContact O-CD1 3.18Å; R28-Y43 WeakPolarHBondContact O-CE1 3.12Å; R28-T150 PolarHBondContact NE-O 3.42Å; R28-T150 PolarHBondContact NH2-O 2.87Å; R28-T150 PolarHBondContact NH2-OG1 3.5Å; R28-T150 VanDerWaalsContact NH2-OG1 3.08Å |
| 29 | I | 97 | Very high | 87.2 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | trans | -58.7 | 132.3 | 173.8 | -60 | -71.3 | 0 | 0 | 0 | 108.7 | G31 V32 W41 L83 L135 V137 T150 S151 | I29-G31 PolarHBondContact O-N 3.26Å; I29-V32 HydrophobicContact CB-CG2 4.44Å; I29-V32 HydrophobicContact CG2-CB 3.95Å; I29-V32 HydrophobicContact CG2-CG1 3.48Å; I29-V32 VanDerWaalsContact CG2-CG1 3.48Å; I29-V32 HydrophobicContact CG2-CG2 3.39Å; I29-W41 HydrophobicContact CD1-CB 4.32Å; I29-L83 HydrophobicContact CD1-CD1 4.14Å; I29-L83 HydrophobicContact CG2-CD1 4.06Å; I29-L135 HydrophobicContact CD1-CD2 4.18Å; I29-L135 HydrophobicContact CG1-CD2 4Å; I29-V137 HydrophobicContact CD1-CG2 3.95Å; I29-V137 HydrophobicContact CG1-CB 4.24Å; I29-V137 HydrophobicContact CG1-CG2 3.54Å; I29-T150 VanDerWaalsContact O-CA 3.3Å; I29-T150 WeakPolarHBondContact O-CA 3.31Å; I29-S151 PolarHBondContact N-O 3.1Å | ||
| 30 | P | 96.3 | Very high | 88.9 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -83.7 | 37.4 | -172.4 | 35.2 | -38 | 0 | 0 | 0 | 113.6 | Y43 L83 | P30-Y43 HydrophobicContact CG-CD2 4.1Å; P30-Y43 HydrophobicContact CG-CE2 3.98Å; P30-L83 HydrophobicContact CG-CD2 4.08Å |
| 31 | G | 95.4 | Very high | 90.6 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 19% | 0.186 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 92.4 | 88.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I29 D149 | I29-G31 PolarHBondContact O-N 3.26Å; G31-D149 CarbonylContact C-O 3.54Å; G31-D149 WeakPolarHBondContact CA-O 2.94Å; G31-D149 PolarHBondContact N-O 3.16Å |
| 32 | V | 94.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -111.1 | 153 | 174.8 | -75.9 | 0 | 0 | 0 | 0 | 112.4 | I29 W41 L83 Y139 K148 D149 | I29-V32 HydrophobicContact CB-CG2 4.44Å; I29-V32 HydrophobicContact CG2-CB 3.95Å; I29-V32 HydrophobicContact CG2-CG1 3.48Å; I29-V32 VanDerWaalsContact CG2-CG1 3.48Å; I29-V32 HydrophobicContact CG2-CG2 3.39Å; V32-W41 HydrophobicContact CB-CD2 4.42Å; V32-W41 HydrophobicContact CG1-CD2 3.74Å; V32-W41 HydrophobicContact CG1-CE3 3.81Å; V32-W41 HydrophobicContact CG1-CG 4.15Å; V32-W41 HydrophobicContact CG1-CH2 4.47Å; V32-W41 HydrophobicContact CG1-CZ2 4.44Å; V32-W41 HydrophobicContact CG1-CZ3 4.19Å; V32-L83 HydrophobicContact CG1-CD1 3.97Å; V32-L83 HydrophobicContact CG1-CD2 3.7Å; V32-L83 HydrophobicContact CG1-CG 4.33Å; V32-Y139 HydrophobicContact CG2-CE2 3.88Å; V32-Y139 WeakPolarHBondContact CG2-OH 3.45Å; V32-K148 CarbonylContact O-C 3.51Å; V32-K148 WeakPolarHBondContact O-CA 3.27Å; V32-D149 HydrophobicContact CG2-CB 4.41Å; V32-D149 PolarHBondContact N-O 3.35Å; V32-D149 PolarHBondContact O-N 3.4Å |
| 33 | T | 94.9 | Very high | 93.2 | Very high | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | trans | -126.4 | 112.1 | 171.1 | -47.9 | 0 | 0 | 0 | 0 | 107.5 | R35 M143 D144 V147 | T33-R35 VanDerWaalsContact CG2-NH1 3.28Å; T33-M143 HydrophobicContact CG2-CB 3.81Å; T33-D144 WeakPolarHBondContact CG2-O 3.49Å; T33-V147 WeakPolarHBondContact CB-O 3.26Å; T33-V147 WeakPolarHBondContact CG2-O 3.5Å; T33-V147 PolarHBondContact OG1-O 2.8Å | ||
| 34 | T | 92.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -72.4 | 144.8 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | E39 Y139 D141 S142 M143 | T34-E39 WeakPolarHBondContact CA-OE2 3.32Å; T34-E39 HydrophobicContact CG2-CB 3.88Å; T34-Y139 HydrophobicContact CG2-CD1 4.25Å; T34-Y139 HydrophobicContact CG2-CD2 3.47Å; T34-Y139 VanDerWaalsContact CG2-CD2 3.47Å; T34-Y139 HydrophobicContact CG2-CE2 4.17Å; T34-Y139 HydrophobicContact CG2-CG 3.51Å; T34-D141 PolarHBondContact OG1-O 2.78Å; T34-S142 WeakPolarHBondContact OG1-CA 3.46Å; T34-M143 HydrophobicContact CG2-CE 3.95Å; T34-M143 PolarHBondContact O-N 3.21Å; T34-M143 VanDerWaalsContact OG1-CG 3.3Å; T34-M143 WeakPolarHBondContact OG1-CG 3.47Å; T34-M143 PolarHBondContact OG1-N 3.46Å | ||
| 35 | R | 90.5 | Very high | 93.9 | Very high | 126 Ų | 126 | 36.8 Ų | 36.8 | 48% | 0.475 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -110.6 | -13.4 | -178 | -63.4 | -65.9 | 175.8 | -135.5 | -8.1 | 113.4 | T33 E39 L145 | T33-R35 VanDerWaalsContact CG2-NH1 3.28Å; R35-E39 PolarHBondContact N-OE1 2.78Å; R35-E39 VanDerWaalsContact N-OE1 3.09Å; R35-L145 VanDerWaalsContact NH2-CD2 3.31Å |
| 36 | M | 87.7 | Confident | 93.9 | Very high | 83 Ų | 83 | 38.9 Ų | 38.9 | 41% | 0.409 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -140 | 158.3 | -179.5 | -50.7 | 178.9 | -51.9 | 0 | 0 | 107.9 | E39 | M36-E39 HydrophobicContact CB-CG 4.1Å; M36-E39 HydrophobicContact CE-CG 4.18Å; M36-E39 PolarHBondContact N-OE1 2.9Å; M36-E39 VanDerWaalsContact N-OE1 3.16Å; M36-E39 WeakPolarHBondContact O-CG 3.36Å |
| 37 | D | 87.5 | Confident | 93.8 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 31% | 0.31 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 156.6 | 170.2 | -57.5 | -6.8 | 0 | 0 | 0 | 109.8 | E39 K140 S142 R273 | D37-E39 PolarHBondContact O-N 2.96Å; D37-K140 WeakPolarHBondContact CA-O 3.33Å; D37-K140 WeakPolarHBondContact CB-O 3.36Å; D37-S142 PolarHBondContact OD1-N 2.83Å; D37-S142 VanDerWaalsContact OD1-N 3.09Å; D37-R273 IonicContact OD2-CZ 3.23Å; D37-R273 IonicContact OD2-NH2 2.7Å; D37-R273 PolarHBondContact OD2-NH2 3.22Å |
| 38 | D | 85.4 | Confident | 93.3 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 33.7 | 180 | -57.8 | -47.9 | 0 | 0 | 0 | 114.1 | Y40 H138 Y139 K140 R273 | D38-Y40 VanDerWaalsContact O-CD2 3.3Å; D38-Y40 WeakPolarHBondContact O-CD2 3.17Å; D38-H138 WeakPolarHBondContact CA-NE2 3.39Å; D38-H138 IonicContact OD1-CE1 2.77Å; D38-H138 IonicContact OD1-NE2 3.8Å; D38-H138 PolarHBondContact OD1-NE2 2.95Å; D38-Y139 CarbonylContact C-O 3.54Å; D38-Y139 WeakPolarHBondContact CA-O 3.39Å; D38-Y139 PolarHBondContact N-O 3.41Å; D38-K140 PolarHBondContact N-O 3.09Å; D38-K140 VanDerWaalsContact N-O 3.1Å; D38-R273 IonicContact OD2-NE 3.55Å; D38-R273 PolarHBondContact OD2-NE 3.1Å |
| 39 | E | 89.2 | Confident | 92.7 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.8 | 175.9 | -86.3 | -167.6 | -169.1 | 0 | 0 | 111.9 | T34 R35 M36 D37 W41 K85 Y139 | T34-E39 WeakPolarHBondContact CA-OE2 3.32Å; T34-E39 HydrophobicContact CG2-CB 3.88Å; R35-E39 PolarHBondContact N-OE1 2.78Å; R35-E39 VanDerWaalsContact N-OE1 3.09Å; M36-E39 HydrophobicContact CB-CG 4.1Å; M36-E39 HydrophobicContact CE-CG 4.18Å; M36-E39 PolarHBondContact N-OE1 2.9Å; M36-E39 VanDerWaalsContact N-OE1 3.16Å; M36-E39 WeakPolarHBondContact O-CG 3.36Å; D37-E39 PolarHBondContact O-N 2.96Å; E39-W41 PolarHBondContact OE2-NE1 2.82Å; E39-K85 IonicContact OE1-NZ 2.77Å; E39-K85 PolarHBondContact OE1-NZ 3.07Å; E39-K85 WeakPolarHBondContact OE2-CE 3.41Å; E39-K85 IonicContact OE2-NZ 3.72Å; E39-K85 PolarHBondContact OE2-NZ 2.9Å; E39-Y139 PolarHBondContact N-O 3.02Å; E39-Y139 PolarHBondContact O-N 3.32Å |
| 40 | Y | 91.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 48 Ų | 48 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.8 | 174.8 | -71.5 | -103.7 | 0 | 0 | 0 | 110.7 | D38 H68 K85 C86 Q136 V137 H138 N271 | D38-Y40 VanDerWaalsContact O-CD2 3.3Å; D38-Y40 WeakPolarHBondContact O-CD2 3.17Å; Y40-H68 AromaticContact CE1-NE2 3.62Å; Y40-K85 WeakPolarHBondContact O-CA 3.16Å; Y40-C86 WeakPolarHBondContact CB-O 3.12Å; Y40-C86 PolarHBondContact O-N 3.37Å; Y40-Q136 HydrophobicContact CD1-CG 4.04Å; Y40-V137 WeakPolarHBondContact CA-O 3.33Å; Y40-H138 HydrophobicContact CD1-CB 3.76Å; Y40-H138 AromaticContact CD2-CD2 3.78Å; Y40-H138 HydrophobicContact CE1-CB 3.51Å; Y40-H138 AromaticContact CE1-CD2 3.94Å; Y40-H138 AromaticContact CE1-CG 3.52Å; Y40-H138 AromaticContact CE1-ND1 3.9Å; Y40-H138 AromaticContact CE2-CD2 3.4Å; Y40-H138 WeakPolarHBondContact CE2-CD2 3.25Å; Y40-H138 AromaticContact CE2-CE1 3.96Å; Y40-H138 AromaticContact CE2-CG 3.83Å; Y40-H138 AromaticContact CE2-NE2 3.51Å; Y40-H138 HydrophobicContact CG-CB 4.4Å; Y40-H138 AromaticContact CZ-CD2 3.49Å; Y40-H138 VanDerWaalsContact CZ-CD2 3.49Å; Y40-H138 AromaticContact CZ-CE1 3.68Å; Y40-H138 AromaticContact CZ-CG 3.39Å; Y40-H138 AromaticContact CZ-ND1 3.48Å; Y40-H138 AromaticContact CZ-NE2 3.68Å; Y40-H138 PolarHBondContact OH-CE1 3.23Å; Y40-H138 VanDerWaalsContact OH-CE1 3.28Å; Y40-H138 PolarHBondContact OH-ND1 3.39Å; Y40-N271 PolarHBondContact OH-O 2.95Å |
| 41 | W | 94.6 | Very high | 92.2 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 15% | 0.152 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.7 | 175.7 | -76.4 | 84.8 | 0 | 0 | 0 | 110.8 | I29 V32 E39 L83 K85 C86 Q136 V137 Y139 | I29-W41 HydrophobicContact CD1-CB 4.32Å; V32-W41 HydrophobicContact CB-CD2 4.42Å; V32-W41 HydrophobicContact CG1-CD2 3.74Å; V32-W41 HydrophobicContact CG1-CE3 3.81Å; V32-W41 HydrophobicContact CG1-CG 4.15Å; V32-W41 HydrophobicContact CG1-CH2 4.47Å; V32-W41 HydrophobicContact CG1-CZ2 4.44Å; V32-W41 HydrophobicContact CG1-CZ3 4.19Å; E39-W41 PolarHBondContact OE2-NE1 2.82Å; W41-L83 HydrophobicContact CE3-CD1 3.66Å; W41-L83 HydrophobicContact CE3-CD2 4.27Å; W41-L83 HydrophobicContact CE3-CG 3.74Å; W41-L83 HydrophobicContact CZ3-CD1 4.25Å; W41-L83 HydrophobicContact CZ3-CD2 4.08Å; W41-L83 HydrophobicContact CZ3-CG 3.8Å; W41-K85 HydrophobicContact CD2-CG 4.11Å; W41-K85 HydrophobicContact CE3-CG 4.24Å; W41-K85 HydrophobicContact CH2-CG 3.91Å; W41-K85 HydrophobicContact CZ2-CD 4.24Å; W41-K85 VanDerWaalsContact CZ2-CE 3.43Å; W41-K85 HydrophobicContact CZ2-CG 3.73Å; W41-K85 HydrophobicContact CZ3-CG 4.14Å; W41-C86 VanDerWaalsContact C-SG 3.58Å; W41-Q136 CarbonylContact O-C 3.47Å; W41-Q136 WeakPolarHBondContact O-CA 3.44Å; W41-V137 PolarHBondContact N-O 3.23Å; W41-V137 PolarHBondContact O-N 2.64Å; W41-Y139 HydrophobicContact CB-CE2 4.18Å; W41-Y139 AromaticContact CD1-CD2 3.95Å; W41-Y139 AromaticContact CD1-CE2 3.88Å; W41-Y139 HydrophobicContact CG-CE2 4.31Å |
| 42 | C | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 137.7 | 175.6 | -76.5 | 0 | 0 | 0 | 0 | 110.9 | L83 W84 C86 V134 L135 | C42-L83 WeakPolarHBondContact O-CA 3.37Å; C42-W84 HydrophobicContact CB-CD2 3.81Å; C42-W84 HydrophobicContact CB-CE3 4.13Å; C42-W84 HydrophobicContact CB-CH2 3.69Å; C42-W84 HydrophobicContact CB-CZ2 3.32Å; C42-W84 HydrophobicContact CB-CZ3 4.08Å; C42-W84 PolarHBondContact N-O 3.21Å; C42-W84 PolarHBondContact O-N 2.94Å; C42-C86 HydrophobicContact CB-CB 3.63Å; C42-C86 WeakPolarHBondContact CB-SG 3.33Å; C42-C86 PolarHBondContact N-SG 2.98Å; C42-C86 WeakPolarHBondContact SG-CB 3.44Å; C42-C86 CovalentContact SG-SG 2.03Å; C42-C86 PolarHBondContact SG-SG 2.82Å; C42-V134 HydrophobicContact CB-CG1 4.07Å; C42-L135 CarbonylContact C-O 3.54Å; C42-L135 VanDerWaalsContact CA-O 3.22Å; C42-L135 WeakPolarHBondContact CA-O 3.35Å |
| 43 | Y | 97.3 | Very high | 92.3 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 11% | 0.106 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.5 | 174.7 | 174.8 | -114 | 0 | 0 | 0 | 111.6 | I27 R28 P30 Q45 R82 L83 V134 L135 | I27-Y43 HydrophobicContact CG1-CD1 3.92Å; I27-Y43 HydrophobicContact CG1-CE1 4.2Å; R28-Y43 VanDerWaalsContact O-CD1 3.25Å; R28-Y43 WeakPolarHBondContact O-CD1 3.18Å; R28-Y43 WeakPolarHBondContact O-CE1 3.12Å; P30-Y43 HydrophobicContact CG-CD2 4.1Å; P30-Y43 HydrophobicContact CG-CE2 3.98Å; Y43-Q45 HydrophobicContact CD1-CG 4.38Å; Y43-Q45 HydrophobicContact CE1-CG 3.62Å; Y43-R82 CarbonylContact C-O 3.43Å; Y43-R82 WeakPolarHBondContact CA-O 3.49Å; Y43-R82 HydrophobicContact CD2-CB 4.28Å; Y43-R82 VanDerWaalsContact CD2-O 3.22Å; Y43-R82 WeakPolarHBondContact CD2-O 3.32Å; Y43-R82 HydrophobicContact CE2-CB 4.04Å; Y43-L83 HydrophobicContact CD2-CB 4.39Å; Y43-V134 WeakPolarHBondContact O-CA 3.31Å; Y43-L135 PolarHBondContact N-O 2.03Å; Y43-L135 PolarHBondContact O-N 2.84Å |
| 44 | S | 97.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.9 | -177.9 | 65.1 | 0 | 0 | 0 | 0 | 113 | R82 L133 | S44-R82 PolarHBondContact N-O 3.32Å; S44-L133 WeakPolarHBondContact CA-O 3.37Å |
| 45 | Q | 96.8 | Very high | 92.7 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.4 | 167.6 | -71.2 | -179 | -18.6 | 0 | 0 | 109.6 | Y25 E26 I27 Y43 Y132 L133 | Y25-Q45 VanDerWaalsContact CZ-OE1 3.28Å; Y25-Q45 WeakPolarHBondContact OH-CB 3.48Å; Y25-Q45 PolarHBondContact OH-OE1 3.28Å; E26-Q45 PolarHBondContact O-NE2 3.08Å; E26-Q45 VanDerWaalsContact O-NE2 3.08Å; E26-Q45 PolarHBondContact O-OE1 3.48Å; I27-Q45 HydrophobicContact CD1-CB 4.32Å; I27-Q45 HydrophobicContact CD1-CG 4.3Å; I27-Q45 HydrophobicContact CG1-CG 4.19Å; Y43-Q45 HydrophobicContact CD1-CG 4.38Å; Y43-Q45 HydrophobicContact CE1-CG 3.62Å; Q45-Y132 WeakPolarHBondContact O-CA 3.22Å; Q45-L133 PolarHBondContact N-O 2.98Å; Q45-L133 PolarHBondContact O-N 3.44Å |
| 46 | K | 95.9 | Very high | 93 | Very high | 93 Ų | 93 | 40.8 Ų | 40.8 | 40% | 0.404 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.4 | 173.3 | -169.9 | 171.6 | 171.6 | -132 | 0 | 110.1 | E48 Y132 | K46-E48 VanDerWaalsContact CD-OE1 3.3Å; K46-E48 WeakPolarHBondContact CD-OE1 3.05Å; K46-E48 VanDerWaalsContact NZ-CD 3.35Å; K46-E48 IonicContact NZ-OE1 3.66Å; K46-E48 PolarHBondContact NZ-OE1 3.04Å; K46-E48 IonicContact NZ-OE2 3.16Å; K46-E48 PolarHBondContact NZ-OE2 3.43Å; K46-Y132 HydrophobicContact CB-CD1 3.81Å; K46-Y132 HydrophobicContact CB-CE1 3.53Å; K46-Y132 HydrophobicContact CD-CE1 4.03Å; K46-Y132 HydrophobicContact CD-CE2 4.31Å; K46-Y132 WeakPolarHBondContact CD-OH 3.45Å; K46-Y132 HydrophobicContact CG-CD1 4.24Å; K46-Y132 HydrophobicContact CG-CE1 3.82Å; K46-Y132 HydrophobicContact CG-CE2 4.17Å |
| 47 | I | 94.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | trans | -89.5 | 103.5 | 171.1 | -57.7 | 169.1 | 0 | 0 | 0 | 108 | N49 E50 F52 V124 K131 L133 | I47-N49 PolarHBondContact O-N 2.76Å; I47-E50 WeakPolarHBondContact CG2-O 3.33Å; I47-F52 HydrophobicContact CB-CE1 4.27Å; I47-F52 HydrophobicContact CD1-CE1 3.77Å; I47-F52 HydrophobicContact CD1-CZ 3.81Å; I47-F52 HydrophobicContact CG1-CE1 3.78Å; I47-F52 HydrophobicContact CG1-CZ 4.07Å; I47-F52 HydrophobicContact CG2-CD1 3.97Å; I47-F52 HydrophobicContact CG2-CE1 3.53Å; I47-V124 HydrophobicContact CD1-CB 3.66Å; I47-V124 HydrophobicContact CD1-CG2 3.63Å; I47-K131 PolarHBondContact N-O 3.06Å; I47-L133 HydrophobicContact CD1-CD1 4.45Å; I47-L133 HydrophobicContact CD1-CG 4.07Å | ||
| 48 | E | 88.1 | Confident | 94 | Very high | 103 Ų | 103 | 38 Ų | 38 | 48% | 0.481 | 18% | 0.181 | S | C | . | . | trans | -84.6 | 112.6 | -173.1 | -65 | -69.3 | -177.9 | 0 | 0 | 112 | K46 E50 | K46-E48 VanDerWaalsContact CD-OE1 3.3Å; K46-E48 WeakPolarHBondContact CD-OE1 3.05Å; K46-E48 VanDerWaalsContact NZ-CD 3.35Å; K46-E48 IonicContact NZ-OE1 3.66Å; K46-E48 PolarHBondContact NZ-OE1 3.04Å; K46-E48 IonicContact NZ-OE2 3.16Å; K46-E48 PolarHBondContact NZ-OE2 3.43Å; E48-E50 PolarHBondContact O-N 3.05Å | ||
| 49 | N | 83.9 | Confident | 94.5 | Very high | 132 Ų | 132 | 37.5 Ų | 37.5 | 71% | 0.706 | 18% | 0.18 | S | C | * | . | S | Bend | trans | 52.2 | 26.9 | 167.3 | -57.5 | -42.7 | 0 | 0 | 0 | 116.2 | I47 | I47-N49 PolarHBondContact O-N 2.76Š|
| 50 | E | 89.5 | Confident | 94.9 | Very high | 133 Ų | 133 | 39.4 Ų | 39.4 | 62% | 0.621 | 19% | 0.192 | S | C | * | . | trans | -135.6 | 153.8 | 179.5 | -68.5 | -177.7 | 166.4 | 0 | 0 | 110.3 | I47 E48 G125 Q126 | I47-E50 WeakPolarHBondContact CG2-O 3.33Å; E48-E50 PolarHBondContact O-N 3.05Å; E50-G125 CarbonylContact O-C 3.49Å; E50-G125 WeakPolarHBondContact O-CA 3.49Å; E50-Q126 PolarHBondContact O-N 2.96Å | ||
| 51 | T | 94 | Very high | 95.1 | Very high | 45 Ų | 45 | 42.5 Ų | 42.5 | 28% | 0.276 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.2 | 164 | -48.9 | 0 | 0 | 0 | 0 | 107.1 | Y53 K123 V124 Q126 | T51-Y53 HydrophobicContact CG2-CE2 4.44Å; T51-K123 HydrophobicContact CG2-CD 4.48Å; T51-K123 HydrophobicContact CG2-CG 3.84Å; T51-V124 WeakPolarHBondContact CA-O 2.96Å; T51-V124 WeakPolarHBondContact CG2-O 3.05Å; T51-Q126 PolarHBondContact OG1-O 3.18Å |
| 52 | F | 94.7 | Very high | 95 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 164.1 | 171.9 | 63.9 | -97.1 | 0 | 0 | 0 | 111.7 | Y25 I47 I54 V124 L133 T157 | Y25-F52 HydrophobicContact CD2-CE1 4.3Å; Y25-F52 HydrophobicContact CD2-CZ 4.05Å; Y25-F52 HydrophobicContact CE2-CE1 4.18Å; Y25-F52 HydrophobicContact CE2-CZ 4.07Å; Y25-F52 HydrophobicContact CG-CZ 4.35Å; I47-F52 HydrophobicContact CB-CE1 4.27Å; I47-F52 HydrophobicContact CD1-CE1 3.77Å; I47-F52 HydrophobicContact CD1-CZ 3.81Å; I47-F52 HydrophobicContact CG1-CE1 3.78Å; I47-F52 HydrophobicContact CG1-CZ 4.07Å; I47-F52 HydrophobicContact CG2-CD1 3.97Å; I47-F52 HydrophobicContact CG2-CE1 3.53Å; F52-I54 HydrophobicContact CD2-CG1 3.97Å; F52-I54 HydrophobicContact CE2-CD1 4.09Å; F52-I54 HydrophobicContact CE2-CG1 3.69Å; F52-V124 HydrophobicContact CD1-CG2 4.25Å; F52-V124 HydrophobicContact CD2-CG2 3.56Å; F52-V124 HydrophobicContact CE1-CG2 3.99Å; F52-V124 HydrophobicContact CE2-CG2 3.24Å; F52-V124 HydrophobicContact CG-CG2 4.07Å; F52-V124 HydrophobicContact CZ-CG2 3.48Å; F52-V124 VanDerWaalsContact CZ-CG2 3.48Å; F52-V124 PolarHBondContact N-O 3.1Å; F52-V124 VanDerWaalsContact N-O 3.1Å; F52-V124 PolarHBondContact O-N 3.12Å; F52-L133 HydrophobicContact CZ-CD1 4.14Å; F52-T157 HydrophobicContact CD2-CG2 3.56Å; F52-T157 HydrophobicContact CE2-CG2 3.72Å |
| 53 | Y | 96.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 114.5 | -171.3 | -63.5 | -86.2 | 0 | 0 | 0 | 109 | T51 S121 F122 K123 T157 Q158 T160 P161 L165 | T51-Y53 HydrophobicContact CG2-CE2 4.44Å; Y53-S121 WeakPolarHBondContact CB-OG 3.37Å; Y53-S121 VanDerWaalsContact CD1-OG 3.29Å; Y53-S121 WeakPolarHBondContact CD1-OG 3.27Å; Y53-F122 CarbonylContact C-O 3.56Å; Y53-F122 VanDerWaalsContact CA-O 3.27Å; Y53-F122 WeakPolarHBondContact CA-O 3.23Å; Y53-K123 HydrophobicContact CD1-CB 4.03Å; Y53-K123 HydrophobicContact CD1-CG 4.17Å; Y53-K123 HydrophobicContact CE1-CB 3.87Å; Y53-K123 HydrophobicContact CE1-CD 4.02Å; Y53-K123 HydrophobicContact CE1-CG 3.6Å; Y53-T157 CarbonylContact O-C 3.47Å; Y53-T157 VanDerWaalsContact O-CA 3.28Å; Y53-T157 WeakPolarHBondContact O-CA 3.36Å; Y53-Q158 PolarHBondContact N-O 2.77Å; Y53-Q158 PolarHBondContact O-N 2.96Å; Y53-T160 VanDerWaalsContact CD2-O 3.28Å; Y53-T160 WeakPolarHBondContact CD2-O 3.36Å; Y53-P161 HydrophobicContact CE1-CB 4.08Å; Y53-P161 VanDerWaalsContact CE2-CA 3.47Å; Y53-P161 HydrophobicContact CE2-CB 4.03Å; Y53-P161 VanDerWaalsContact CZ-CA 3.46Å; Y53-L165 HydrophobicContact CD1-CD2 4.23Å; Y53-L165 HydrophobicContact CE1-CD2 3.98Å |
| 54 | I | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.5 | -177.7 | -54.3 | 163.3 | 0 | 0 | 0 | 109.2 | F52 F57 V104 S121 F122 V124 L155 T157 | F52-I54 HydrophobicContact CD2-CG1 3.97Å; F52-I54 HydrophobicContact CE2-CD1 4.09Å; F52-I54 HydrophobicContact CE2-CG1 3.69Å; I54-F57 HydrophobicContact CB-CZ 4.36Å; I54-F57 HydrophobicContact CG2-CD1 4.26Å; I54-F57 HydrophobicContact CG2-CE1 3.58Å; I54-F57 HydrophobicContact CG2-CE2 4.1Å; I54-F57 HydrophobicContact CG2-CZ 3.51Å; I54-V104 HydrophobicContact CD1-CG1 4.11Å; I54-S121 WeakPolarHBondContact O-CA 3Å; I54-S121 VanDerWaalsContact O-CB 3.23Å; I54-S121 WeakPolarHBondContact O-CB 3.22Å; I54-F122 HydrophobicContact CB-CB 4.29Å; I54-F122 PolarHBondContact N-O 3.46Å; I54-F122 PolarHBondContact O-N 3.39Å; I54-V124 HydrophobicContact CD1-CG1 4.07Å; I54-V124 HydrophobicContact CD1-CG2 3.94Å; I54-V124 HydrophobicContact CG1-CG2 4.22Å; I54-L155 HydrophobicContact CD1-CD1 4.11Å; I54-L155 HydrophobicContact CG1-CD1 4.49Å; I54-L155 HydrophobicContact CG2-CB 4.25Å; I54-L155 HydrophobicContact CG2-CD2 4.47Å; I54-T157 HydrophobicContact CG1-CG2 4.24Å |
| 55 | T | 97.5 | Very high | 94.2 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -7.8 | -173.9 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | M116 T156 Q158 | T55-M116 WeakPolarHBondContact O-CB 3.42Å; T55-M116 WeakPolarHBondContact O-CG 3.31Å; T55-M116 PolarHBondContact O-N 2.83Å; T55-T156 PolarHBondContact N-O 3.01Å; T55-T156 PolarHBondContact OG1-O 3Å; T55-T156 VanDerWaalsContact OG1-O 3.1Å; T55-Q158 HydrophobicContact CG2-CG 4.39Å |
| 56 | G | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 152.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F114 L155 T156 | G56-F114 CarbonylContact C-O 3.47Å; G56-F114 WeakPolarHBondContact CA-O 3.34Å; G56-L155 WeakPolarHBondContact O-CA 3.37Å; G56-T156 PolarHBondContact N-O 3.28Å; G56-T156 PolarHBondContact O-N 2.73Å |
| 57 | F | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 108.9 | -173.7 | -55.6 | -94.5 | 0 | 0 | 0 | 109.4 | I54 L71 V104 Y105 A113 F114 M116 F122 L155 | I54-F57 HydrophobicContact CB-CZ 4.36Å; I54-F57 HydrophobicContact CG2-CD1 4.26Å; I54-F57 HydrophobicContact CG2-CE1 3.58Å; I54-F57 HydrophobicContact CG2-CE2 4.1Å; I54-F57 HydrophobicContact CG2-CZ 3.51Å; F57-L71 HydrophobicContact CE1-CD2 4.24Å; F57-V104 HydrophobicContact CE1-CG1 3.9Å; F57-V104 HydrophobicContact CZ-CG1 4.06Å; F57-Y105 HydrophobicContact CB-CD1 3.76Å; F57-Y105 HydrophobicContact CB-CD2 4.03Å; F57-Y105 HydrophobicContact CB-CE1 3.59Å; F57-Y105 HydrophobicContact CB-CE2 3.92Å; F57-Y105 HydrophobicContact CB-CG 3.97Å; F57-Y105 VanDerWaalsContact CD1-CB 3.44Å; F57-Y105 AromaticContact CD1-CD1 3.72Å; F57-Y105 HydrophobicContact CD1-CD1 3.72Å; F57-Y105 AromaticContact CD1-CD2 3.96Å; F57-Y105 HydrophobicContact CD1-CD2 3.96Å; F57-Y105 HydrophobicContact CD1-CE1 4.44Å; F57-Y105 AromaticContact CD1-CG 3.43Å; F57-Y105 HydrophobicContact CD1-CG 3.43Å; F57-Y105 VanDerWaalsContact CD1-CG 3.43Å; F57-Y105 AromaticContact CD2-CD2 3.92Å; F57-Y105 HydrophobicContact CD2-CD2 3.92Å; F57-Y105 HydrophobicContact CD2-CE2 4.26Å; F57-Y105 HydrophobicContact CD2-CG 4.25Å; F57-Y105 VanDerWaalsContact CE1-CB 3.43Å; F57-Y105 HydrophobicContact CE1-CD2 4.4Å; F57-Y105 AromaticContact CE1-CG 3.92Å; F57-Y105 HydrophobicContact CE1-CG 3.92Å; F57-Y105 HydrophobicContact CE2-CD2 4.34Å; F57-Y105 AromaticContact CG-CD1 3.89Å; F57-Y105 HydrophobicContact CG-CD1 3.89Å; F57-Y105 AromaticContact CG-CD2 3.7Å; F57-Y105 HydrophobicContact CG-CD2 3.7Å; F57-Y105 HydrophobicContact CG-CE1 4.19Å; F57-Y105 HydrophobicContact CG-CE2 4.05Å; F57-Y105 AromaticContact CG-CG 3.62Å; F57-Y105 HydrophobicContact CG-CG 3.62Å; F57-Y105 HydrophobicContact CZ-CG 4.48Å; F57-A113 VanDerWaalsContact O-CA 3.29Å; F57-A113 WeakPolarHBondContact O-CA 3.45Å; F57-A113 WeakPolarHBondContact O-CB 3.4Å; F57-F114 HydrophobicContact CB-CB 4.48Å; F57-F114 AromaticContact CD2-CD1 3.85Å; F57-F114 HydrophobicContact CD2-CD1 3.85Å; F57-F114 HydrophobicContact CE2-CD1 4.24Å; F57-F114 PolarHBondContact N-O 3.35Å; F57-F114 PolarHBondContact O-N 3.49Å; F57-M116 HydrophobicContact CE2-CG 4.12Å; F57-M116 HydrophobicContact CE2-SD 3.84Å; F57-F122 HydrophobicContact CE2-CD2 4.36Å; F57-F122 HydrophobicContact CE2-CE2 4.41Å; F57-F122 AromaticContact CZ-CD2 3.81Å; F57-F122 HydrophobicContact CZ-CD2 3.81Å; F57-F122 HydrophobicContact CZ-CE2 4.05Å; F57-L155 HydrophobicContact CD1-CD2 3.55Å; F57-L155 HydrophobicContact CE1-CD2 4.08Å; F57-L155 HydrophobicContact CG-CD2 4.41Å |
| 58 | Q | 97.2 | Very high | 93.6 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.1 | 176.5 | 174.1 | 63 | 65.2 | 0 | 0 | 109.4 | A113 L153 E154 | Q58-A113 HydrophobicContact CB-CB 4.48Å; Q58-L153 WeakPolarHBondContact O-CA 3.39Å; Q58-E154 HydrophobicContact CB-CB 4.18Å; Q58-E154 WeakPolarHBondContact CB-O 3.34Å; Q58-E154 HydrophobicContact CG-CB 4.49Å; Q58-E154 PolarHBondContact N-O 3.41Å; Q58-E154 PolarHBondContact O-N 2.7Å |
| 59 | P | 97 | Very high | 93.9 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 134.2 | 171.2 | 30.3 | -36.3 | 0 | 0 | 0 | 110.3 | Y61 W107 L153 | P59-Y61 HydrophobicContact CB-CD1 4.09Å; P59-W107 HydrophobicContact CB-CD2 3.88Å; P59-W107 HydrophobicContact CB-CG 4.01Å; P59-W107 HydrophobicContact CB-CZ2 4.29Å; P59-W107 HydrophobicContact CG-CD2 4.47Å; P59-W107 HydrophobicContact CG-CG 4.35Å; P59-L153 HydrophobicContact CB-CD2 4.49Å |
| 60 | V | 96.6 | Very high | 94.5 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 29% | 0.285 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 102.9 | 171.6 | -178.6 | 0 | 0 | 0 | 0 | 106.1 | S151 G152 E154 | V60-S151 CarbonylContact O-C 3.56Å; V60-S151 VanDerWaalsContact O-CA 3.23Å; V60-S151 WeakPolarHBondContact O-CA 3.42Å; V60-G152 PolarHBondContact N-O 2.85Å; V60-G152 PolarHBondContact O-N 2.73Å; V60-E154 HydrophobicContact CG2-CB 4.39Å |
| 61 | Y | 95.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 30.5 Ų | 30.5 | 30% | 0.302 | 16% | 0.156 | S | C | . | . | trans | -143.7 | 156.9 | -167.6 | 72.9 | -77 | 0 | 0 | 0 | 113 | P59 P63 V66 W107 G110 S151 | P59-Y61 HydrophobicContact CB-CD1 4.09Å; Y61-P63 HydrophobicContact CD2-CB 4.36Å; Y61-P63 HydrophobicContact CE2-CB 3.76Å; Y61-V66 HydrophobicContact CD2-CB 4.48Å; Y61-W107 AromaticContact CD1-CH2 3.63Å; Y61-W107 HydrophobicContact CD1-CH2 3.63Å; Y61-W107 AromaticContact CD1-CZ2 3.59Å; Y61-W107 HydrophobicContact CD1-CZ2 3.59Å; Y61-W107 HydrophobicContact CD1-CZ3 4.46Å; Y61-W107 AromaticContact CD2-CH2 3.37Å; Y61-W107 HydrophobicContact CD2-CH2 3.37Å; Y61-W107 HydrophobicContact CD2-CZ2 4.05Å; Y61-W107 HydrophobicContact CD2-CZ3 4.23Å; Y61-W107 AromaticContact CE1-CH2 3.76Å; Y61-W107 HydrophobicContact CE1-CH2 3.76Å; Y61-W107 AromaticContact CE1-CZ2 3.36Å; Y61-W107 HydrophobicContact CE1-CZ2 3.36Å; Y61-W107 AromaticContact CE2-CH2 3.48Å; Y61-W107 HydrophobicContact CE2-CH2 3.48Å; Y61-W107 VanDerWaalsContact CE2-CH2 3.48Å; Y61-W107 AromaticContact CE2-CZ2 3.82Å; Y61-W107 HydrophobicContact CE2-CZ2 3.82Å; Y61-W107 AromaticContact CG-CH2 3.45Å; Y61-W107 HydrophobicContact CG-CH2 3.45Å; Y61-W107 VanDerWaalsContact CG-CH2 3.45Å; Y61-W107 AromaticContact CG-CZ2 3.94Å; Y61-W107 HydrophobicContact CG-CZ2 3.94Å; Y61-W107 HydrophobicContact CG-CZ3 4.12Å; Y61-W107 AromaticContact CZ-CH2 3.69Å; Y61-W107 AromaticContact CZ-CZ2 3.5Å; Y61-G110 WeakPolarHBondContact OH-CA 3.25Å; Y61-S151 VanDerWaalsContact CA-OG 3.27Å; Y61-S151 WeakPolarHBondContact CA-OG 3.47Å | ||
| 62 | D | 93.5 | Very high | 95 | Very high | 48 Ų | 48 | 28.7 Ų | 28.7 | 26% | 0.257 | 15% | 0.145 | S | C | . | . | trans | -93.8 | 112.9 | 166.1 | -165.6 | -34 | 0 | 0 | 0 | 110 | I64 F65 V66 S151 | D62-I64 PolarHBondContact O-N 3.44Å; D62-I64 VanDerWaalsContact OD1-CB 3.23Å; D62-I64 WeakPolarHBondContact OD1-CB 3.27Å; D62-I64 WeakPolarHBondContact OD1-CG1 3.43Å; D62-I64 PolarHBondContact OD1-N 2.8Å; D62-F65 HydrophobicContact CB-CD2 3.9Å; D62-F65 PolarHBondContact O-N 2.86Å; D62-F65 WeakPolarHBondContact OD2-CE2 3.44Å; D62-V66 PolarHBondContact O-N 2.85Å; D62-S151 PolarHBondContact N-OG 3.33Å | ||
| 63 | P | 90.7 | Very high | 95 | Very high | 62 Ų | 62 | 28 Ų | 28 | 40% | 0.403 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.2 | -179.7 | 28.2 | -35.7 | 0 | 0 | 0 | 113.3 | Y61 F65 | Y61-P63 HydrophobicContact CD2-CB 4.36Å; Y61-P63 HydrophobicContact CE2-CB 3.76Å; P63-F65 VanDerWaalsContact C-N 3.33Å |
| 64 | I | 91.2 | Very high | 94.9 | Very high | 104 Ų | 104 | 26.9 Ų | 26.9 | 53% | 0.533 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -33.3 | 177.2 | -58.1 | 174.8 | 0 | 0 | 0 | 110.3 | D62 K140 | D62-I64 PolarHBondContact O-N 3.44Å; D62-I64 VanDerWaalsContact OD1-CB 3.23Å; D62-I64 WeakPolarHBondContact OD1-CB 3.27Å; D62-I64 WeakPolarHBondContact OD1-CG1 3.43Å; D62-I64 PolarHBondContact OD1-N 2.8Å; I64-K140 WeakPolarHBondContact O-CE 3.03Å; I64-K140 PolarHBondContact O-NZ 2.88Å |
| 65 | F | 91.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 30.8 Ų | 30.8 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -34.9 | -170.4 | -49.4 | -60.7 | 0 | 0 | 0 | 114.2 | D62 P63 Y139 K140 M143 V147 | D62-F65 HydrophobicContact CB-CD2 3.9Å; D62-F65 PolarHBondContact O-N 2.86Å; D62-F65 WeakPolarHBondContact OD2-CE2 3.44Å; P63-F65 VanDerWaalsContact C-N 3.33Å; F65-Y139 HydrophobicContact CB-CD1 3.83Å; F65-Y139 HydrophobicContact CB-CE1 4.32Å; F65-Y139 CarbonylContact O-C 3.57Å; F65-Y139 VanDerWaalsContact O-CA 3.23Å; F65-Y139 WeakPolarHBondContact O-CA 3.38Å; F65-K140 WeakPolarHBondContact O-CG 3.39Å; F65-K140 PolarHBondContact O-N 2.98Å; F65-M143 HydrophobicContact CB-CE 3.53Å; F65-M143 HydrophobicContact CD1-CE 4.19Å; F65-M143 HydrophobicContact CD1-CG 3.66Å; F65-M143 HydrophobicContact CD2-CE 4.1Å; F65-M143 HydrophobicContact CE1-CG 3.84Å; F65-M143 HydrophobicContact CG-CE 3.68Å; F65-M143 HydrophobicContact CG-CG 4.08Å; F65-M143 HydrophobicContact CG-SD 4.4Å; F65-M143 HydrophobicContact CZ-CG 4.41Å; F65-V147 HydrophobicContact CE1-CG1 4.45Å; F65-V147 HydrophobicContact CE2-CG1 3.66Å; F65-V147 HydrophobicContact CZ-CG1 3.61Å |
| 66 | V | 92.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123 | -170.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | Y61 D62 I69 W107 V137 Y139 S151 | Y61-V66 HydrophobicContact CD2-CB 4.48Å; D62-V66 PolarHBondContact O-N 2.85Å; V66-I69 HydrophobicContact CG1-CD1 4.23Å; V66-I69 HydrophobicContact CG1-CG1 3.81Å; V66-W107 HydrophobicContact CG1-CZ3 3.9Å; V66-V137 HydrophobicContact CG1-CG1 3.88Å; V66-V137 HydrophobicContact CG2-CG1 3.92Å; V66-Y139 HydrophobicContact CG2-CD1 4.16Å; V66-Y139 HydrophobicContact CG2-CE1 3.81Å; V66-S151 VanDerWaalsContact CG2-OG 3.25Å; V66-S151 WeakPolarHBondContact CG2-OG 3.41Å |
| 67 | H | 88.9 | Confident | 94.5 | Very high | 54 Ų | 54 | 34.8 Ų | 34.8 | 25% | 0.25 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -50.3 | 171.7 | -177.9 | -114.9 | 0 | 0 | 0 | 111.4 | H138 K140 | H67-H138 AromaticContact CG-ND1 3.95Å; H67-H138 PolarHBondContact N-O 3.29Å; H67-H138 AromaticContact ND1-CE1 3.6Å; H67-H138 AromaticContact ND1-ND1 3.21Å; H67-H138 PolarHBondContact ND1-ND1 2.79Å; H67-K140 HydrophobicContact CB-CB 4.22Å |
| 68 | H | 92.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 164.5 | 176.3 | 65.8 | -122.8 | 0 | 0 | 0 | 113.6 | Y40 W107 A108 H138 | Y40-H68 AromaticContact CE1-NE2 3.62Å; H68-W107 CarbonylContact C-O 3.52Å; H68-W107 WeakPolarHBondContact CA-O 3.45Å; H68-W107 VanDerWaalsContact CB-O 3.24Å; H68-W107 WeakPolarHBondContact CB-O 3.29Å; H68-A108 HydrophobicContact CB-CB 3.5Å; H68-A108 VanDerWaalsContact CB-CB 3.5Å; H68-H138 VanDerWaalsContact CD2-CB 3.48Å; H68-H138 WeakPolarHBondContact CD2-CB 3.18Å; H68-H138 AromaticContact CE1-CG 3.74Å; H68-H138 AromaticContact CE1-ND1 3.13Å; H68-H138 PolarHBondContact CE1-ND1 3.08Å; H68-H138 PolarHBondContact N-O 2.81Å; H68-H138 AromaticContact ND1-ND1 3.38Å; H68-H138 PolarHBondContact ND1-ND1 2.93Å; H68-H138 VanDerWaalsContact NE2-CB 3.35Å; H68-H138 WeakPolarHBondContact NE2-CB 3.29Å; H68-H138 AromaticContact NE2-CG 3.94Å; H68-H138 AromaticContact NE2-ND1 3.79Å; H68-H138 PolarHBondContact O-N 2.91Å |
| 69 | I | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.9 | 179.4 | -59.9 | 176.1 | 0 | 0 | 0 | 109.1 | V66 S106 W107 L135 Q136 V137 L153 | V66-I69 HydrophobicContact CG1-CD1 4.23Å; V66-I69 HydrophobicContact CG1-CG1 3.81Å; I69-S106 WeakPolarHBondContact O-CA 3.12Å; I69-W107 HydrophobicContact CB-CE3 3.92Å; I69-W107 HydrophobicContact CD1-CE3 3.92Å; I69-W107 HydrophobicContact CD1-CZ3 4.1Å; I69-W107 HydrophobicContact CG1-CE3 3.74Å; I69-W107 HydrophobicContact CG1-CZ3 4.03Å; I69-W107 PolarHBondContact N-O 2.88Å; I69-W107 PolarHBondContact O-N 2.77Å; I69-L135 HydrophobicContact CG2-CD1 3.34Å; I69-L135 HydrophobicContact CG2-CG 4.37Å; I69-Q136 CarbonylContact C-O 3.53Å; I69-Q136 WeakPolarHBondContact CA-O 3.49Å; I69-V137 HydrophobicContact CG1-CG1 4.43Å; I69-V137 HydrophobicContact CG1-CG2 4.36Å; I69-L153 HydrophobicContact CG2-CD1 4.18Å; I69-L153 HydrophobicContact CG2-CD2 4.46Å; I69-L153 HydrophobicContact CG2-CG 4.1Å |
| 70 | I | 95.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 9% | 0.087 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.8 | 173.8 | -46.9 | -176.6 | 0 | 0 | 0 | 109.4 | F72 I103 Y105 Q136 | I70-F72 HydrophobicContact CB-CD2 4.38Å; I70-F72 HydrophobicContact CB-CE2 3.59Å; I70-F72 HydrophobicContact CB-CZ 3.97Å; I70-F72 HydrophobicContact CD1-CZ 4.4Å; I70-F72 HydrophobicContact CG2-CD2 3.97Å; I70-F72 HydrophobicContact CG2-CE1 4.02Å; I70-F72 HydrophobicContact CG2-CE2 3.33Å; I70-F72 HydrophobicContact CG2-CZ 3.36Å; I70-I103 HydrophobicContact CG2-CG1 4.38Å; I70-I103 HydrophobicContact CG2-CG2 4.37Å; I70-Y105 WeakPolarHBondContact CG2-O 3.1Å; I70-Q136 HydrophobicContact CB-CB 4.42Å; I70-Q136 PolarHBondContact N-O 2.93Å; I70-Q136 PolarHBondContact O-N 3.44Å |
| 71 | L | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.8 | 174.5 | -174.4 | 69 | 0 | 0 | 0 | 109.3 | I27 F57 V104 Y105 L133 L153 L155 | I27-L71 HydrophobicContact CD1-CD1 4.1Å; I27-L71 HydrophobicContact CG2-CD1 3.98Å; F57-L71 HydrophobicContact CE1-CD2 4.24Å; L71-V104 HydrophobicContact CD2-CB 4.21Å; L71-V104 HydrophobicContact CD2-CG1 4.02Å; L71-V104 HydrophobicContact CG-CB 4.27Å; L71-V104 PolarHBondContact O-N 2.86Å; L71-Y105 PolarHBondContact N-O 2.8Å; L71-Y105 PolarHBondContact O-N 2.71Å; L71-L133 HydrophobicContact CD1-CB 4.13Å; L71-L133 HydrophobicContact CD1-CD2 4.45Å; L71-L133 HydrophobicContact CD2-CD2 4.43Å; L71-L133 HydrophobicContact CG-CD2 4.42Å; L71-L153 HydrophobicContact CB-CD1 3.75Å; L71-L153 HydrophobicContact CD1-CD1 4.33Å; L71-L153 HydrophobicContact CD2-CD1 4.1Å; L71-L153 HydrophobicContact CG-CD1 4.29Å; L71-L155 HydrophobicContact CD2-CD1 3.92Å; L71-L155 HydrophobicContact CD2-CD2 4.06Å |
| 72 | F | 96.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 147.1 | 177 | -58.1 | -95.7 | 0 | 0 | 0 | 110.8 | I70 I96 E101 S102 I103 L133 V134 Q136 | I70-F72 HydrophobicContact CB-CD2 4.38Å; I70-F72 HydrophobicContact CB-CE2 3.59Å; I70-F72 HydrophobicContact CB-CZ 3.97Å; I70-F72 HydrophobicContact CD1-CZ 4.4Å; I70-F72 HydrophobicContact CG2-CD2 3.97Å; I70-F72 HydrophobicContact CG2-CE1 4.02Å; I70-F72 HydrophobicContact CG2-CE2 3.33Å; I70-F72 HydrophobicContact CG2-CZ 3.36Å; F72-I96 HydrophobicContact CB-CG2 4.34Å; F72-I96 HydrophobicContact CD1-CG2 4.42Å; F72-I96 HydrophobicContact CD2-CD1 4.48Å; F72-I96 HydrophobicContact CD2-CG2 3.55Å; F72-I96 HydrophobicContact CE1-CD1 4.09Å; F72-I96 HydrophobicContact CE2-CD1 3.7Å; F72-I96 HydrophobicContact CE2-CG2 3.83Å; F72-I96 HydrophobicContact CG-CG2 3.87Å; F72-I96 HydrophobicContact CZ-CD1 3.47Å; F72-I96 VanDerWaalsContact CZ-CD1 3.47Å; F72-I96 HydrophobicContact CZ-CG2 4.36Å; F72-E101 HydrophobicContact CD1-CB 4.23Å; F72-S102 CarbonylContact C-O 3.52Å; F72-S102 VanDerWaalsContact CA-O 3.24Å; F72-S102 WeakPolarHBondContact CA-O 3.43Å; F72-I103 HydrophobicContact CD1-CG1 3.85Å; F72-I103 HydrophobicContact CE1-CD1 4.3Å; F72-I103 HydrophobicContact CE1-CG1 3.53Å; F72-I103 HydrophobicContact CZ-CG1 4.38Å; F72-L133 CarbonylContact O-C 3.58Å; F72-L133 WeakPolarHBondContact O-CA 3.24Å; F72-V134 HydrophobicContact CB-CB 4.34Å; F72-V134 PolarHBondContact N-O 3.21Å; F72-V134 PolarHBondContact O-N 3.49Å; F72-Q136 HydrophobicContact CE2-CB 3.9Å |
| 73 | G | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | S102 Y130 Y132 | G73-S102 PolarHBondContact N-O 3.06Å; G73-S102 PolarHBondContact O-N 3.01Å; G73-S102 VanDerWaalsContact O-N 3.16Å; G73-Y130 VanDerWaalsContact O-CD1 3.29Å; G73-Y130 WeakPolarHBondContact O-CD1 3.41Å; G73-Y132 WeakPolarHBondContact CA-O 3.46Å |
| 74 | C | 93.2 | Very high | 94 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 157 | -173.3 | -60.7 | 0 | 0 | 0 | 0 | 113 | C97 P129 Y130 K131 Y132 | C74-C97 HydrophobicContact CB-CB 3.57Å; C74-C97 WeakPolarHBondContact CB-SG 3.41Å; C74-C97 WeakPolarHBondContact SG-CB 3.26Å; C74-C97 CovalentContact SG-SG 1.98Å; C74-C97 PolarHBondContact SG-SG 2.8Å; C74-P129 CarbonylContact C-O 3.54Å; C74-P129 VanDerWaalsContact O-O 3.13Å; C74-Y130 CarbonylContact O-C 3.57Å; C74-K131 PolarHBondContact O-N 2.94Å; C74-Y132 PolarHBondContact N-O 2.02Å; C74-Y132 PolarHBondContact O-N 2.95Å |
| 75 | E | 94.2 | Very high | 94 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -76.3 | -43.7 | 173.3 | -179.2 | 157.9 | -158.1 | 0 | 0 | 111.5 | P129 K131 Y132 | E75-P129 WeakPolarHBondContact CA-O 3.38Å; E75-P129 WeakPolarHBondContact CB-O 3.4Å; E75-P129 PolarHBondContact N-O 2.86Å; E75-K131 HydrophobicContact CG-CD 4.2Å; E75-K131 IonicContact OE1-NZ 3.55Å; E75-K131 PolarHBondContact OE1-NZ 2.84Å; E75-Y132 WeakPolarHBondContact O-CD2 3.49Å; E75-Y132 WeakPolarHBondContact O-CE2 3.32Å |
| 76 | E | 94.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 138.5 | 173.2 | -64.8 | -170 | 173.5 | 0 | 0 | 110.7 | R98 | E76-R98 HydrophobicContact CB-CB 4.23Å; E76-R98 PolarHBondContact O-N 2.91Å; E76-R98 IonicContact OE2-CZ 3.49Å; E76-R98 VanDerWaalsContact OE2-CZ 3.27Å; E76-R98 IonicContact OE2-NE 3.52Å; E76-R98 IonicContact OE2-NH1 2.84Å; E76-R98 PolarHBondContact OE2-NH1 2.77Å |
| 77 | P | 95.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 7% | 0.071 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 157.5 | 175.1 | 28.9 | -34.1 | 0 | 0 | 0 | 111.4 | S79 W84 Y132 V134 | P77-S79 WeakPolarHBondContact CG-O 3.19Å; P77-S79 PolarHBondContact O-N 2.93Å; P77-W84 HydrophobicContact CB-CH2 3.85Å; P77-W84 HydrophobicContact CB-CZ3 4.4Å; P77-Y132 HydrophobicContact CG-CD1 4.16Å; P77-Y132 HydrophobicContact CG-CE1 4.2Å; P77-V134 HydrophobicContact CB-CG2 4.2Å |
| 78 | G | 92.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -65 | -25.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S95 I96 | G78-S95 WeakPolarHBondContact CA-O 3.33Å; G78-I96 PolarHBondContact N-O 2.91Å |
| 79 | S | 93.8 | Very high | 89.5 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -115.7 | 144.7 | 176.5 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | P77 E81 W84 | P77-S79 WeakPolarHBondContact CG-O 3.19Å; P77-S79 PolarHBondContact O-N 2.93Å; S79-E81 PolarHBondContact O-N 3.25Å; S79-E81 WeakPolarHBondContact OG-CB 3.21Å; S79-E81 PolarHBondContact OG-N 2.82Å; S79-W84 VanDerWaalsContact CB-CD2 3.48Å |
| 80 | P | 92.9 | Very high | 87.6 | Confident | 123 Ų | 123 | 49.1 Ų | 49.1 | 80% | 0.799 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -68 | -21.1 | 164.8 | 30.5 | -35.6 | 0 | 0 | 0 | 112.4 | ||
| 81 | E | 94.1 | Very high | 85.6 | Confident | 130 Ų | 130 | 55.7 Ų | 55.7 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -75.8 | 146.4 | 172 | -58.3 | -169.7 | 170.5 | 0 | 0 | 110.3 | S79 L83 | S79-E81 PolarHBondContact O-N 3.25Å; S79-E81 WeakPolarHBondContact OG-CB 3.21Å; S79-E81 PolarHBondContact OG-N 2.82Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 3.19Å |
| 82 | R | 95.2 | Very high | 83.7 | Confident | 173 Ų | 173 | 61.8 Ų | 61.8 | 65% | 0.653 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -70.6 | -28.5 | 178.2 | -73.7 | -170.4 | -179.9 | -178.2 | -1.8 | 113.1 | Y43 S44 W84 | Y43-R82 CarbonylContact C-O 3.43Å; Y43-R82 WeakPolarHBondContact CA-O 3.49Å; Y43-R82 HydrophobicContact CD2-CB 4.28Å; Y43-R82 VanDerWaalsContact CD2-O 3.22Å; Y43-R82 WeakPolarHBondContact CD2-O 3.32Å; Y43-R82 HydrophobicContact CE2-CB 4.04Å; S44-R82 PolarHBondContact N-O 3.32Å; R82-W84 WeakPolarHBondContact O-CZ3 3.2Å |
| 83 | L | 95.7 | Very high | 82.2 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.4 | -176.6 | 176 | 70 | 0 | 0 | 0 | 107.9 | I29 P30 V32 W41 C42 Y43 E81 | I29-L83 HydrophobicContact CD1-CD1 4.14Å; I29-L83 HydrophobicContact CG2-CD1 4.06Å; P30-L83 HydrophobicContact CG-CD2 4.08Å; V32-L83 HydrophobicContact CG1-CD1 3.97Å; V32-L83 HydrophobicContact CG1-CD2 3.7Å; V32-L83 HydrophobicContact CG1-CG 4.33Å; W41-L83 HydrophobicContact CE3-CD1 3.66Å; W41-L83 HydrophobicContact CE3-CD2 4.27Å; W41-L83 HydrophobicContact CE3-CG 3.74Å; W41-L83 HydrophobicContact CZ3-CD1 4.25Å; W41-L83 HydrophobicContact CZ3-CD2 4.08Å; W41-L83 HydrophobicContact CZ3-CG 3.8Å; C42-L83 WeakPolarHBondContact O-CA 3.37Å; Y43-L83 HydrophobicContact CD2-CB 4.39Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 3.19Å |
| 84 | W | 94.3 | Very high | 81.7 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 5% | 0.045 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.4 | 178.9 | 68.7 | 106.8 | 0 | 0 | 0 | 110.9 | C42 P77 S79 R82 T94 S95 I96 V134 | C42-W84 HydrophobicContact CB-CD2 3.81Å; C42-W84 HydrophobicContact CB-CE3 4.13Å; C42-W84 HydrophobicContact CB-CH2 3.69Å; C42-W84 HydrophobicContact CB-CZ2 3.32Å; C42-W84 HydrophobicContact CB-CZ3 4.08Å; C42-W84 PolarHBondContact N-O 3.21Å; C42-W84 PolarHBondContact O-N 2.94Å; P77-W84 HydrophobicContact CB-CH2 3.85Å; P77-W84 HydrophobicContact CB-CZ3 4.4Å; S79-W84 VanDerWaalsContact CB-CD2 3.48Å; R82-W84 WeakPolarHBondContact O-CZ3 3.2Å; W84-T94 VanDerWaalsContact CD1-CG2 3.41Å; W84-T94 HydrophobicContact CG-CG2 4.35Å; W84-S95 PolarHBondContact NE1-O 2.67Å; W84-I96 VanDerWaalsContact CZ2-O 3.25Å; W84-I96 WeakPolarHBondContact CZ2-O 3.34Å; W84-V134 HydrophobicContact CH2-CG1 3.6Å; W84-V134 HydrophobicContact CH2-CG2 4.36Å; W84-V134 HydrophobicContact CZ2-CG1 4Å |
| 85 | K | 91.9 | Very high | 81.5 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 28% | 0.278 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 128.5 | 166.5 | -67.8 | -169.6 | 173.7 | -162.3 | 0 | 108.2 | E39 Y40 W41 S90 | E39-K85 IonicContact OE1-NZ 2.77Å; E39-K85 PolarHBondContact OE1-NZ 3.07Å; E39-K85 WeakPolarHBondContact OE2-CE 3.41Å; E39-K85 IonicContact OE2-NZ 3.72Å; E39-K85 PolarHBondContact OE2-NZ 2.9Å; Y40-K85 WeakPolarHBondContact O-CA 3.16Å; W41-K85 HydrophobicContact CD2-CG 4.11Å; W41-K85 HydrophobicContact CE3-CG 4.24Å; W41-K85 HydrophobicContact CH2-CG 3.91Å; W41-K85 HydrophobicContact CZ2-CD 4.24Å; W41-K85 VanDerWaalsContact CZ2-CE 3.43Å; W41-K85 HydrophobicContact CZ2-CG 3.73Å; W41-K85 HydrophobicContact CZ3-CG 4.14Å; K85-S90 WeakPolarHBondContact O-CB 3.26Å |
| 86 | C | 88.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | trans | -125.4 | 175.1 | -178.5 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | Y40 W41 C42 T94 | Y40-C86 WeakPolarHBondContact CB-O 3.12Å; Y40-C86 PolarHBondContact O-N 3.37Å; W41-C86 VanDerWaalsContact C-SG 3.58Å; C42-C86 HydrophobicContact CB-CB 3.63Å; C42-C86 WeakPolarHBondContact CB-SG 3.33Å; C42-C86 PolarHBondContact N-SG 2.98Å; C42-C86 WeakPolarHBondContact SG-CB 3.44Å; C42-C86 CovalentContact SG-SG 2.03Å; C42-C86 PolarHBondContact SG-SG 2.82Å; C86-T94 WeakPolarHBondContact CA-O 3.46Å | ||
| 87 | G | 72.3 | Confident | 81.3 | Confident | 22 Ų | 22 | 67 Ų | 67 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 77 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M89 S90 | G87-M89 PolarHBondContact O-N 3.31Å; G87-M89 VanDerWaalsContact O-N 3.13Å; G87-S90 WeakPolarHBondContact O-CB 3.48Å; G87-S90 PolarHBondContact O-N 3.05Å; G87-S90 PolarHBondContact O-OG 3.42Å |
| 88 | E | 58.2 | Low | 81.1 | Confident | 145 Ų | 145 | 72.8 Ų | 72.8 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.1 | -172.1 | -68.4 | 178.6 | 171.3 | 0 | 0 | 113.8 | S90 N271 | E88-S90 VanDerWaalsContact C-N 3.3Å; E88-N271 PolarHBondContact OE2-ND2 2.84Å |
| 89 | M | 50.9 | Low | 80.6 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 39% | 0.394 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3.6 | 176 | -64.6 | -62.5 | -70.9 | 0 | 0 | 113.5 | G87 N91 T272 | G87-M89 PolarHBondContact O-N 3.31Å; G87-M89 VanDerWaalsContact O-N 3.13Å; M89-N91 PolarHBondContact O-N 3.43Å; M89-T272 HydrophobicContact CE-CG2 4.39Å; M89-T272 HydrophobicContact CG-CG2 4.17Å; M89-T272 HydrophobicContact SD-CG2 3.66Å |
| 90 | S | 56.1 | Low | 79.6 | Confident | 5 Ų | 5 | 82.2 Ų | 82.2 | 4% | 0.035 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -75.2 | 122.5 | 169.2 | 67.7 | 0 | 0 | 0 | 0 | 109 | K85 G87 E88 D92 E93 T94 | K85-S90 WeakPolarHBondContact O-CB 3.26Å; G87-S90 WeakPolarHBondContact O-CB 3.48Å; G87-S90 PolarHBondContact O-N 3.05Å; G87-S90 PolarHBondContact O-OG 3.42Å; E88-S90 VanDerWaalsContact C-N 3.3Å; S90-D92 PolarHBondContact O-N 3.26Å; S90-E93 PolarHBondContact O-N 3.1Å; S90-E93 PolarHBondContact OG-N 2.9Å; S90-T94 PolarHBondContact OG-N 2.87Å |
| 91 | N | 52.7 | Low | 79.2 | Confident | 154 Ų | 154 | 81.1 Ų | 81.1 | 82% | 0.824 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -20 | 173.6 | -70.6 | -22.2 | 0 | 0 | 0 | 113 | M89 | M89-N91 PolarHBondContact O-N 3.43Š|
| 92 | D | 58.2 | Low | 79.1 | Confident | 128 Ų | 128 | 75.5 Ų | 75.5 | 68% | 0.684 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 6.5 | -176.8 | -59.7 | -40.7 | 0 | 0 | 0 | 113.1 | S90 T94 | S90-D92 PolarHBondContact O-N 3.26Å; D92-T94 PolarHBondContact O-N 3Å; D92-T94 PolarHBondContact O-OG1 2.89Å |
| 93 | E | 66.4 | Low | 79 | Confident | 172 Ų | 172 | 68.5 Ų | 68.5 | 80% | 0.804 | 35% | 0.351 | S | S | * | . | trans | 43.2 | 33.8 | 180 | -65.8 | -175.5 | 174.8 | 0 | 0 | 113.6 | S90 S95 | S90-E93 PolarHBondContact O-N 3.1Å; S90-E93 PolarHBondContact OG-N 2.9Å; E93-S95 PolarHBondContact O-N 2.83Å | ||
| 94 | T | 83.8 | Confident | 79 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | trans | -80.9 | 119.8 | -171.6 | -55.7 | 0 | 0 | 0 | 0 | 109 | W84 C86 S90 D92 | W84-T94 VanDerWaalsContact CD1-CG2 3.41Å; W84-T94 HydrophobicContact CG-CG2 4.35Å; C86-T94 WeakPolarHBondContact CA-O 3.46Å; S90-T94 PolarHBondContact OG-N 2.87Å; D92-T94 PolarHBondContact O-N 3Å; D92-T94 PolarHBondContact O-OG1 2.89Å | ||
| 95 | S | 89.3 | Confident | 79.1 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | trans | -62.8 | 164.7 | -179.4 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | G78 W84 E93 C97 | G78-S95 WeakPolarHBondContact CA-O 3.33Å; W84-S95 PolarHBondContact NE1-O 2.67Å; E93-S95 PolarHBondContact O-N 2.83Å; S95-C97 WeakPolarHBondContact CB-O 3.31Å; S95-C97 PolarHBondContact OG-O 2.84Å | ||
| 96 | I | 92.8 | Very high | 79.2 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -70.2 | -47.4 | 174.7 | -56.4 | 173 | 0 | 0 | 0 | 108.8 | F72 G78 W84 V134 Q136 | F72-I96 HydrophobicContact CB-CG2 4.34Å; F72-I96 HydrophobicContact CD1-CG2 4.42Å; F72-I96 HydrophobicContact CD2-CD1 4.48Å; F72-I96 HydrophobicContact CD2-CG2 3.55Å; F72-I96 HydrophobicContact CE1-CD1 4.09Å; F72-I96 HydrophobicContact CE2-CD1 3.7Å; F72-I96 HydrophobicContact CE2-CG2 3.83Å; F72-I96 HydrophobicContact CG-CG2 3.87Å; F72-I96 HydrophobicContact CZ-CD1 3.47Å; F72-I96 VanDerWaalsContact CZ-CD1 3.47Å; F72-I96 HydrophobicContact CZ-CG2 4.36Å; G78-I96 PolarHBondContact N-O 2.91Å; W84-I96 VanDerWaalsContact CZ2-O 3.25Å; W84-I96 WeakPolarHBondContact CZ2-O 3.34Å; I96-V134 HydrophobicContact CG2-CB 4.26Å; I96-V134 HydrophobicContact CG2-CG1 3.72Å; I96-Q136 VanDerWaalsContact CD1-NE2 3.32Å |
| 97 | C | 92.9 | Very high | 79.5 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.034 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.1 | 174.3 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | C74 S95 E101 | C74-C97 HydrophobicContact CB-CB 3.57Å; C74-C97 WeakPolarHBondContact CB-SG 3.41Å; C74-C97 WeakPolarHBondContact SG-CB 3.26Å; C74-C97 CovalentContact SG-SG 1.98Å; C74-C97 PolarHBondContact SG-SG 2.8Å; S95-C97 WeakPolarHBondContact CB-O 3.31Å; S95-C97 PolarHBondContact OG-O 2.84Å; C97-E101 HydrophobicContact CB-CB 3.96Å |
| 98 | R | 90.5 | Very high | 80.3 | Confident | 133 Ų | 133 | 61.8 Ų | 61.8 | 50% | 0.502 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -45.3 | -178.7 | -174.7 | 172.1 | -65.3 | 156.7 | 15 | 110.9 | E76 | E76-R98 HydrophobicContact CB-CB 4.23Å; E76-R98 PolarHBondContact O-N 2.91Å; E76-R98 IonicContact OE2-CZ 3.49Å; E76-R98 VanDerWaalsContact OE2-CZ 3.27Å; E76-R98 IonicContact OE2-NE 3.52Å; E76-R98 IonicContact OE2-NH1 2.84Å; E76-R98 PolarHBondContact OE2-NH1 2.77Å |
| 99 | E | 82.5 | Confident | 81.6 | Confident | 144 Ų | 144 | 56.2 Ų | 56.2 | 67% | 0.673 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154.8 | 176.2 | -65.4 | -179.8 | -170.7 | 0 | 0 | 108.7 | ||
| 100 | S | 72 | Confident | 83.4 | Confident | 84 Ų | 84 | 53.6 Ų | 53.6 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | trans | 51.6 | 62.1 | 168.4 | -53.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 101 | E | 84.9 | Confident | 85.1 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | trans | -74.2 | 142.4 | 168.4 | 61.1 | -173.8 | -141.2 | 0 | 0 | 111.7 | F72 C97 | F72-E101 HydrophobicContact CD1-CB 4.23Å; C97-E101 HydrophobicContact CB-CB 3.96Å | ||
| 102 | S | 91.4 | Very high | 87 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 129.6 | 171.2 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | F72 G73 V104 Y130 | F72-S102 CarbonylContact C-O 3.52Å; F72-S102 VanDerWaalsContact CA-O 3.24Å; F72-S102 WeakPolarHBondContact CA-O 3.43Å; G73-S102 PolarHBondContact N-O 3.06Å; G73-S102 PolarHBondContact O-N 3.01Å; G73-S102 VanDerWaalsContact O-N 3.16Å; S102-V104 PolarHBondContact O-N 2.92Å; S102-Y130 VanDerWaalsContact CB-CE1 3.4Å; S102-Y130 VanDerWaalsContact CB-OH 3.28Å; S102-Y130 WeakPolarHBondContact CB-OH 3.18Å; S102-Y130 PolarHBondContact OG-OH 3.24Å; S102-Y130 VanDerWaalsContact OG-OH 3.11Å |
| 103 | I | 93.8 | Very high | 88.8 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 123.5 | 175.6 | -66.7 | 171.5 | 0 | 0 | 0 | 108.3 | I70 F72 V168 Y281 | I70-I103 HydrophobicContact CG2-CG1 4.38Å; I70-I103 HydrophobicContact CG2-CG2 4.37Å; F72-I103 HydrophobicContact CD1-CG1 3.85Å; F72-I103 HydrophobicContact CE1-CD1 4.3Å; F72-I103 HydrophobicContact CE1-CG1 3.53Å; F72-I103 HydrophobicContact CZ-CG1 4.38Å; I103-V168 WeakPolarHBondContact O-CB 3.45Å; I103-V168 WeakPolarHBondContact O-CG2 3.49Å; I103-Y281 HydrophobicContact CD1-CD1 3.98Å; I103-Y281 HydrophobicContact CD1-CE1 3.4Å; I103-Y281 VanDerWaalsContact CD1-CE1 3.4Å |
| 104 | V | 96.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -43.2 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | I54 F57 L71 S102 F122 M283 | I54-V104 HydrophobicContact CD1-CG1 4.11Å; F57-V104 HydrophobicContact CE1-CG1 3.9Å; F57-V104 HydrophobicContact CZ-CG1 4.06Å; L71-V104 HydrophobicContact CD2-CB 4.21Å; L71-V104 HydrophobicContact CD2-CG1 4.02Å; L71-V104 HydrophobicContact CG-CB 4.27Å; L71-V104 PolarHBondContact O-N 2.86Å; S102-V104 PolarHBondContact O-N 2.92Å; V104-F122 HydrophobicContact CG1-CB 4.14Å; V104-F122 HydrophobicContact CG1-CD1 4.06Å; V104-F122 HydrophobicContact CG1-CD2 4.09Å; V104-F122 HydrophobicContact CG1-CE1 4.49Å; V104-F122 HydrophobicContact CG1-CG 3.84Å; V104-F122 WeakPolarHBondContact O-CE2 3.46Å; V104-F122 WeakPolarHBondContact O-CZ 3.48Å; V104-M283 WeakPolarHBondContact O-CE 3.25Å |
| 105 | Y | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 153.3 | -179 | -177.6 | -112.8 | 0 | 0 | 0 | 111.7 | F57 I70 L71 W107 F114 L153 F237 M283 | F57-Y105 HydrophobicContact CB-CD1 3.76Å; F57-Y105 HydrophobicContact CB-CD2 4.03Å; F57-Y105 HydrophobicContact CB-CE1 3.59Å; F57-Y105 HydrophobicContact CB-CE2 3.92Å; F57-Y105 HydrophobicContact CB-CG 3.97Å; F57-Y105 VanDerWaalsContact CD1-CB 3.44Å; F57-Y105 AromaticContact CD1-CD1 3.72Å; F57-Y105 HydrophobicContact CD1-CD1 3.72Å; F57-Y105 AromaticContact CD1-CD2 3.96Å; F57-Y105 HydrophobicContact CD1-CD2 3.96Å; F57-Y105 HydrophobicContact CD1-CE1 4.44Å; F57-Y105 AromaticContact CD1-CG 3.43Å; F57-Y105 HydrophobicContact CD1-CG 3.43Å; F57-Y105 VanDerWaalsContact CD1-CG 3.43Å; F57-Y105 AromaticContact CD2-CD2 3.92Å; F57-Y105 HydrophobicContact CD2-CD2 3.92Å; F57-Y105 HydrophobicContact CD2-CE2 4.26Å; F57-Y105 HydrophobicContact CD2-CG 4.25Å; F57-Y105 VanDerWaalsContact CE1-CB 3.43Å; F57-Y105 HydrophobicContact CE1-CD2 4.4Å; F57-Y105 AromaticContact CE1-CG 3.92Å; F57-Y105 HydrophobicContact CE1-CG 3.92Å; F57-Y105 HydrophobicContact CE2-CD2 4.34Å; F57-Y105 AromaticContact CG-CD1 3.89Å; F57-Y105 HydrophobicContact CG-CD1 3.89Å; F57-Y105 AromaticContact CG-CD2 3.7Å; F57-Y105 HydrophobicContact CG-CD2 3.7Å; F57-Y105 HydrophobicContact CG-CE1 4.19Å; F57-Y105 HydrophobicContact CG-CE2 4.05Å; F57-Y105 AromaticContact CG-CG 3.62Å; F57-Y105 HydrophobicContact CG-CG 3.62Å; F57-Y105 HydrophobicContact CZ-CG 4.48Å; I70-Y105 WeakPolarHBondContact CG2-O 3.1Å; L71-Y105 PolarHBondContact N-O 2.8Å; L71-Y105 PolarHBondContact O-N 2.71Å; Y105-W107 HydrophobicContact CD1-CB 4.46Å; Y105-W107 HydrophobicContact CE1-CB 3.65Å; Y105-F114 HydrophobicContact CD2-CD1 4.38Å; Y105-F114 HydrophobicContact CE2-CB 3.58Å; Y105-F114 HydrophobicContact CE2-CD1 4.01Å; Y105-F114 AromaticContact CE2-CG 3.98Å; Y105-F114 HydrophobicContact CE2-CG 3.98Å; Y105-L153 HydrophobicContact CD1-CD1 4.15Å; Y105-L153 HydrophobicContact CD1-CD2 4.07Å; Y105-L153 HydrophobicContact CE1-CD2 3.98Å; Y105-F237 HydrophobicContact CD2-CD2 4.2Å; Y105-F237 HydrophobicContact CD2-CE2 4.44Å; Y105-F237 HydrophobicContact CE2-CD2 4.2Å; Y105-M283 HydrophobicContact CD2-CE 4.13Å |
| 106 | S | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 140 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | I69 R203 | I69-S106 WeakPolarHBondContact O-CA 3.12Å; S106-R203 PolarHBondContact OG-NE 3.28Å; S106-R203 PolarHBondContact OG-NH1 3.29Å |
| 107 | W | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 139.7 | -173.3 | 170.4 | 91.2 | 0 | 0 | 0 | 110 | P59 Y61 V66 H68 I69 Y105 A111 | P59-W107 HydrophobicContact CB-CD2 3.88Å; P59-W107 HydrophobicContact CB-CG 4.01Å; P59-W107 HydrophobicContact CB-CZ2 4.29Å; P59-W107 HydrophobicContact CG-CD2 4.47Å; P59-W107 HydrophobicContact CG-CG 4.35Å; Y61-W107 AromaticContact CD1-CH2 3.63Å; Y61-W107 HydrophobicContact CD1-CH2 3.63Å; Y61-W107 AromaticContact CD1-CZ2 3.59Å; Y61-W107 HydrophobicContact CD1-CZ2 3.59Å; Y61-W107 HydrophobicContact CD1-CZ3 4.46Å; Y61-W107 AromaticContact CD2-CH2 3.37Å; Y61-W107 HydrophobicContact CD2-CH2 3.37Å; Y61-W107 HydrophobicContact CD2-CZ2 4.05Å; Y61-W107 HydrophobicContact CD2-CZ3 4.23Å; Y61-W107 AromaticContact CE1-CH2 3.76Å; Y61-W107 HydrophobicContact CE1-CH2 3.76Å; Y61-W107 AromaticContact CE1-CZ2 3.36Å; Y61-W107 HydrophobicContact CE1-CZ2 3.36Å; Y61-W107 AromaticContact CE2-CH2 3.48Å; Y61-W107 HydrophobicContact CE2-CH2 3.48Å; Y61-W107 VanDerWaalsContact CE2-CH2 3.48Å; Y61-W107 AromaticContact CE2-CZ2 3.82Å; Y61-W107 HydrophobicContact CE2-CZ2 3.82Å; Y61-W107 AromaticContact CG-CH2 3.45Å; Y61-W107 HydrophobicContact CG-CH2 3.45Å; Y61-W107 VanDerWaalsContact CG-CH2 3.45Å; Y61-W107 AromaticContact CG-CZ2 3.94Å; Y61-W107 HydrophobicContact CG-CZ2 3.94Å; Y61-W107 HydrophobicContact CG-CZ3 4.12Å; Y61-W107 AromaticContact CZ-CH2 3.69Å; Y61-W107 AromaticContact CZ-CZ2 3.5Å; V66-W107 HydrophobicContact CG1-CZ3 3.9Å; H68-W107 CarbonylContact C-O 3.52Å; H68-W107 WeakPolarHBondContact CA-O 3.45Å; H68-W107 VanDerWaalsContact CB-O 3.24Å; H68-W107 WeakPolarHBondContact CB-O 3.29Å; I69-W107 HydrophobicContact CB-CE3 3.92Å; I69-W107 HydrophobicContact CD1-CE3 3.92Å; I69-W107 HydrophobicContact CD1-CZ3 4.1Å; I69-W107 HydrophobicContact CG1-CE3 3.74Å; I69-W107 HydrophobicContact CG1-CZ3 4.03Å; I69-W107 PolarHBondContact N-O 2.88Å; I69-W107 PolarHBondContact O-N 2.77Å; Y105-W107 HydrophobicContact CD1-CB 4.46Å; Y105-W107 HydrophobicContact CE1-CB 3.65Å; W107-A111 PolarHBondContact NE1-O 2.9Å |
| 108 | A | 90.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 165.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H68 G110 A111 Q235 | H68-A108 HydrophobicContact CB-CB 3.5Å; H68-A108 VanDerWaalsContact CB-CB 3.5Å; A108-G110 PolarHBondContact O-N 2.85Å; A108-A111 WeakPolarHBondContact O-CB 3.2Å; A108-A111 PolarHBondContact O-N 2.76Å; A108-Q235 HydrophobicContact CB-CB 3.8Å; A108-Q235 PolarHBondContact N-O 3.12Å |
| 109 | M | 84.7 | Confident | 91.9 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 53.5 | 171.7 | -62.9 | -169.5 | -61.2 | 0 | 0 | 114.1 | A111 P231 V233 H234 Q235 | M109-A111 PolarHBondContact O-N 2.9Å; M109-P231 WeakPolarHBondContact CE-O 2.89Å; M109-V233 WeakPolarHBondContact CE-O 3.31Å; M109-H234 PolarHBondContact O-CD2 3.26Å; M109-Q235 HydrophobicContact CE-CB 3.85Å; M109-Q235 HydrophobicContact CE-CG 3.39Å |
| 110 | G | 89.5 | Confident | 92.6 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 27% | 0.268 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 13.5 | 170 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y61 A108 | Y61-G110 WeakPolarHBondContact OH-CA 3.25Å; A108-G110 PolarHBondContact O-N 2.85Å |
| 111 | A | 91.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 149.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W107 A108 M109 H234 T236 | W107-A111 PolarHBondContact NE1-O 2.9Å; A108-A111 WeakPolarHBondContact O-CB 3.2Å; A108-A111 PolarHBondContact O-N 2.76Å; M109-A111 PolarHBondContact O-N 2.9Å; A111-H234 HydrophobicContact CB-CB 3.97Å; A111-T236 HydrophobicContact CB-CG2 4.08Å |
| 112 | P | 93.6 | Very high | 94.5 | Very high | 83 Ų | 83 | 32.8 Ų | 32.8 | 54% | 0.539 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 171 | 176.5 | 30.3 | -36.3 | 0 | 0 | 0 | 111.9 | ||
| 113 | A | 95.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -57 | 150.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112 | F57 Q58 | F57-A113 VanDerWaalsContact O-CA 3.29Å; F57-A113 WeakPolarHBondContact O-CA 3.45Å; F57-A113 WeakPolarHBondContact O-CB 3.4Å; Q58-A113 HydrophobicContact CB-CB 4.48Å |
| 114 | F | 97 | Very high | 94.9 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.4 | 179.4 | -177.2 | -104.2 | 0 | 0 | 0 | 110.3 | G56 F57 Y105 M116 F200 A201 F237 M283 | G56-F114 CarbonylContact C-O 3.47Å; G56-F114 WeakPolarHBondContact CA-O 3.34Å; F57-F114 HydrophobicContact CB-CB 4.48Å; F57-F114 AromaticContact CD2-CD1 3.85Å; F57-F114 HydrophobicContact CD2-CD1 3.85Å; F57-F114 HydrophobicContact CE2-CD1 4.24Å; F57-F114 PolarHBondContact N-O 3.35Å; F57-F114 PolarHBondContact O-N 3.49Å; Y105-F114 HydrophobicContact CD2-CD1 4.38Å; Y105-F114 HydrophobicContact CE2-CB 3.58Å; Y105-F114 HydrophobicContact CE2-CD1 4.01Å; Y105-F114 AromaticContact CE2-CG 3.98Å; Y105-F114 HydrophobicContact CE2-CG 3.98Å; F114-M116 HydrophobicContact CD1-SD 4.25Å; F114-M116 HydrophobicContact CE1-SD 3.58Å; F114-M116 VanDerWaalsContact CE1-SD 3.58Å; F114-F200 HydrophobicContact CZ-CE2 4.25Å; F114-A201 HydrophobicContact CE2-CB 4.28Å; F114-A201 HydrophobicContact CZ-CB 3.95Å; F114-F237 HydrophobicContact CD2-CB 3.93Å; F114-F237 HydrophobicContact CE1-CB 4.38Å; F114-F237 HydrophobicContact CE2-CB 3.54Å; F114-F237 WeakPolarHBondContact CE2-O 3.44Å; F114-F237 HydrophobicContact CZ-CB 3.8Å; F114-M283 HydrophobicContact CE1-CE 4.21Å; F114-M283 HydrophobicContact CE1-SD 3.64Å; F114-M283 HydrophobicContact CZ-SD 3.86Å |
| 115 | E | 97.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 32.5 Ų | 32.5 | 48% | 0.481 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.4 | 173.6 | -70.3 | -70.4 | 132 | 0 | 0 | 109.5 | ||
| 116 | M | 97.2 | Very high | 94.6 | Very high | 17 Ų | 17 | 38 Ų | 38 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 149.3 | 175.8 | -61.1 | -66.6 | -74.2 | 0 | 0 | 110.1 | T55 F57 F114 V120 F122 A166 F200 | T55-M116 WeakPolarHBondContact O-CB 3.42Å; T55-M116 WeakPolarHBondContact O-CG 3.31Å; T55-M116 PolarHBondContact O-N 2.83Å; F57-M116 HydrophobicContact CE2-CG 4.12Å; F57-M116 HydrophobicContact CE2-SD 3.84Å; F114-M116 HydrophobicContact CD1-SD 4.25Å; F114-M116 HydrophobicContact CE1-SD 3.58Å; F114-M116 VanDerWaalsContact CE1-SD 3.58Å; M116-V120 WeakPolarHBondContact CB-O 2.98Å; M116-V120 HydrophobicContact CE-CB 4.44Å; M116-V120 HydrophobicContact CE-CG1 3.67Å; M116-F122 HydrophobicContact CE-CD2 3.84Å; M116-F122 HydrophobicContact CE-CE2 3.67Å; M116-F122 HydrophobicContact SD-CD2 4.24Å; M116-F122 HydrophobicContact SD-CE2 3.97Å; M116-A166 HydrophobicContact CE-CB 3.5Å; M116-A166 VanDerWaalsContact CE-CB 3.5Å; M116-F200 HydrophobicContact CE-CE1 4.41Å; M116-F200 HydrophobicContact CE-CE2 4.01Å; M116-F200 HydrophobicContact CE-CZ 3.46Å; M116-F200 VanDerWaalsContact CE-CZ 3.46Å; M116-F200 HydrophobicContact SD-CE2 4.32Å; M116-F200 HydrophobicContact SD-CZ 4.26Å |
| 117 | P | 96.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 157.6 | 169.9 | -23.6 | 33.3 | 0 | 0 | 0 | 111.9 | D119 V120 F200 | P117-D119 PolarHBondContact O-N 2.86Å; P117-V120 HydrophobicContact CB-CB 4.47Å; P117-V120 HydrophobicContact CB-CG2 4.03Å; P117-V120 PolarHBondContact O-N 3.07Å; P117-V120 VanDerWaalsContact O-N 3.14Å; P117-F200 HydrophobicContact CG-CB 4.45Å; P117-F200 HydrophobicContact CG-CD2 3.51Å; P117-F200 HydrophobicContact CG-CE2 4Å; P117-F200 HydrophobicContact CG-CG 4.15Å |
| 118 | Y | 95.3 | Very high | 94.4 | Very high | 217 Ų | 217 | 41.7 Ų | 41.7 | 85% | 0.851 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 129.5 | 177.1 | 177.9 | -97.9 | 0 | 0 | 0 | 111.5 | V120 | Y118-V120 VanDerWaalsContact C-N 3.25Å; Y118-V120 PolarHBondContact O-N 3.48Å |
| 119 | D | 96.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 28.7 | 177.1 | -158.5 | 33.5 | 0 | 0 | 0 | 114.9 | K20 P117 T162 S163 K164 | K20-D119 IonicContact NZ-OD1 2.74Å; P117-D119 PolarHBondContact O-N 2.86Å; D119-T162 WeakPolarHBondContact O-CB 3.4Å; D119-T162 WeakPolarHBondContact OD1-CA 3.4Å; D119-T162 WeakPolarHBondContact OD1-CB 3.29Å; D119-S163 PolarHBondContact OD1-N 3.02Å; D119-S163 WeakPolarHBondContact OD2-CB 3.28Å; D119-S163 PolarHBondContact OD2-N 3.49Å; D119-S163 PolarHBondContact OD2-OG 2.84Å; D119-K164 WeakPolarHBondContact O-CB 3.33Å; D119-K164 PolarHBondContact O-N 3.16Å |
| 120 | V | 98 | Very high | 95 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.3 | 168.4 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | M116 P117 Y118 K164 A166 F200 W285 | M116-V120 WeakPolarHBondContact CB-O 2.98Å; M116-V120 HydrophobicContact CE-CB 4.44Å; M116-V120 HydrophobicContact CE-CG1 3.67Å; P117-V120 HydrophobicContact CB-CB 4.47Å; P117-V120 HydrophobicContact CB-CG2 4.03Å; P117-V120 PolarHBondContact O-N 3.07Å; P117-V120 VanDerWaalsContact O-N 3.14Å; Y118-V120 VanDerWaalsContact C-N 3.25Å; Y118-V120 PolarHBondContact O-N 3.48Å; V120-K164 WeakPolarHBondContact CA-O 3.4Å; V120-K164 HydrophobicContact CG2-CB 4.01Å; V120-K164 HydrophobicContact CG2-CD 3.89Å; V120-A166 HydrophobicContact CG1-CB 3.98Å; V120-F200 HydrophobicContact CG1-CE1 4.08Å; V120-F200 HydrophobicContact CG1-CZ 4.17Å; V120-W285 HydrophobicContact CG1-CB 3.92Å; V120-W285 HydrophobicContact CG1-CG 4.48Å; V120-W285 HydrophobicContact CG2-CG 4.31Å |
| 121 | S | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 157.6 | 175.6 | 68 | 0 | 0 | 0 | 0 | 112.8 | Y53 I54 T162 K164 L165 A166 | Y53-S121 WeakPolarHBondContact CB-OG 3.37Å; Y53-S121 VanDerWaalsContact CD1-OG 3.29Å; Y53-S121 WeakPolarHBondContact CD1-OG 3.27Å; I54-S121 WeakPolarHBondContact O-CA 3Å; I54-S121 VanDerWaalsContact O-CB 3.23Å; I54-S121 WeakPolarHBondContact O-CB 3.22Å; S121-T162 WeakPolarHBondContact OG-CG2 3.4Å; S121-T162 PolarHBondContact OG-OG1 3.12Å; S121-K164 PolarHBondContact N-O 3.32Å; S121-L165 CarbonylContact O-C 3.5Å; S121-L165 WeakPolarHBondContact O-CA 3.18Å; S121-A166 PolarHBondContact O-N 2.63Å |
| 122 | F | 97.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128 | 163.9 | -72.1 | -90.5 | 0 | 0 | 0 | 109.6 | Y53 I54 F57 V104 M116 A166 V168 M283 | Y53-F122 CarbonylContact C-O 3.56Å; Y53-F122 VanDerWaalsContact CA-O 3.27Å; Y53-F122 WeakPolarHBondContact CA-O 3.23Å; I54-F122 HydrophobicContact CB-CB 4.29Å; I54-F122 PolarHBondContact N-O 3.46Å; I54-F122 PolarHBondContact O-N 3.39Å; F57-F122 HydrophobicContact CE2-CD2 4.36Å; F57-F122 HydrophobicContact CE2-CE2 4.41Å; F57-F122 AromaticContact CZ-CD2 3.81Å; F57-F122 HydrophobicContact CZ-CD2 3.81Å; F57-F122 HydrophobicContact CZ-CE2 4.05Å; V104-F122 HydrophobicContact CG1-CB 4.14Å; V104-F122 HydrophobicContact CG1-CD1 4.06Å; V104-F122 HydrophobicContact CG1-CD2 4.09Å; V104-F122 HydrophobicContact CG1-CE1 4.49Å; V104-F122 HydrophobicContact CG1-CG 3.84Å; V104-F122 WeakPolarHBondContact O-CE2 3.46Å; V104-F122 WeakPolarHBondContact O-CZ 3.48Å; M116-F122 HydrophobicContact CE-CD2 3.84Å; M116-F122 HydrophobicContact CE-CE2 3.67Å; M116-F122 HydrophobicContact SD-CD2 4.24Å; M116-F122 HydrophobicContact SD-CE2 3.97Å; F122-A166 HydrophobicContact CD1-CB 4.02Å; F122-A166 WeakPolarHBondContact CD1-O 3.48Å; F122-A166 HydrophobicContact CD2-CB 3.89Å; F122-A166 HydrophobicContact CE1-CB 3.93Å; F122-A166 HydrophobicContact CE2-CB 3.8Å; F122-A166 HydrophobicContact CG-CB 4.01Å; F122-A166 HydrophobicContact CZ-CB 3.82Å; F122-V168 HydrophobicContact CE1-CG2 4.09Å; F122-V168 HydrophobicContact CZ-CG2 3.88Å; F122-M283 HydrophobicContact CE2-CE 3.97Å; F122-M283 HydrophobicContact CE2-SD 4.48Å; F122-M283 HydrophobicContact CZ-CE 3.98Å; F122-M283 HydrophobicContact CZ-CG 4.33Å |
| 123 | K | 97.1 | Very high | 95.7 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 14% | 0.139 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.9 | 174.7 | -175.1 | -172 | -179.7 | -167 | 0 | 109.4 | T51 Y53 T128 L165 E291 | T51-K123 HydrophobicContact CG2-CD 4.48Å; T51-K123 HydrophobicContact CG2-CG 3.84Å; Y53-K123 HydrophobicContact CD1-CB 4.03Å; Y53-K123 HydrophobicContact CD1-CG 4.17Å; Y53-K123 HydrophobicContact CE1-CB 3.87Å; Y53-K123 HydrophobicContact CE1-CD 4.02Å; Y53-K123 HydrophobicContact CE1-CG 3.6Å; K123-T128 HydrophobicContact CD-CG2 3.99Å; K123-T128 HydrophobicContact CG-CG2 3.85Å; K123-L165 HydrophobicContact CB-CD2 4.1Å; K123-L165 HydrophobicContact CD-CD1 4.11Å; K123-E291 WeakPolarHBondContact CD-OE1 3.43Å; K123-E291 IonicContact NZ-OE1 3.3Å; K123-E291 PolarHBondContact NZ-OE1 2.93Å; K123-E291 IonicContact NZ-OE2 3.5Å; K123-E291 PolarHBondContact NZ-OE2 3.49Å |
| 124 | V | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 162 | -179.5 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | I47 T51 F52 I54 Y130 L133 | I47-V124 HydrophobicContact CD1-CB 3.66Å; I47-V124 HydrophobicContact CD1-CG2 3.63Å; T51-V124 WeakPolarHBondContact CA-O 2.96Å; T51-V124 WeakPolarHBondContact CG2-O 3.05Å; F52-V124 HydrophobicContact CD1-CG2 4.25Å; F52-V124 HydrophobicContact CD2-CG2 3.56Å; F52-V124 HydrophobicContact CE1-CG2 3.99Å; F52-V124 HydrophobicContact CE2-CG2 3.24Å; F52-V124 HydrophobicContact CG-CG2 4.07Å; F52-V124 HydrophobicContact CZ-CG2 3.48Å; F52-V124 VanDerWaalsContact CZ-CG2 3.48Å; F52-V124 PolarHBondContact N-O 3.1Å; F52-V124 VanDerWaalsContact N-O 3.1Å; F52-V124 PolarHBondContact O-N 3.12Å; I54-V124 HydrophobicContact CD1-CG1 4.07Å; I54-V124 HydrophobicContact CD1-CG2 3.94Å; I54-V124 HydrophobicContact CG1-CG2 4.22Å; V124-Y130 HydrophobicContact CG1-CD2 4.35Å; V124-L133 HydrophobicContact CG1-CD2 4.31Å |
| 125 | G | 94.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.4 | -146.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | E50 G127 T128 Y130 | E50-G125 CarbonylContact O-C 3.49Å; E50-G125 WeakPolarHBondContact O-CA 3.49Å; G125-G127 PolarHBondContact O-N 3.37Å; G125-T128 PolarHBondContact N-OG1 2.91Å; G125-T128 PolarHBondContact O-N 2.76Å; G125-T128 VanDerWaalsContact O-N 3.12Å; G125-T128 PolarHBondContact O-OG1 3.19Å; G125-Y130 PolarHBondContact N-O 2.87Å |
| 126 | Q | 91.9 | Very high | 95.7 | Very high | 117 Ų | 117 | 37.2 Ų | 37.2 | 55% | 0.547 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 136.3 | -173.3 | -167.7 | 177.9 | 19.2 | 0 | 0 | 111.5 | E50 T51 T128 | E50-Q126 PolarHBondContact O-N 2.96Å; T51-Q126 PolarHBondContact OG1-O 3.18Å; Q126-T128 VanDerWaalsContact C-N 3.28Å; Q126-T128 PolarHBondContact O-N 3.15Å |
| 127 | G | 90.2 | Very high | 95.6 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 71% | 0.711 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 4.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G125 | G125-G127 PolarHBondContact O-N 3.37Š|
| 128 | T | 93.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -120.7 | 159.5 | 172.1 | 78 | 0 | 0 | 0 | 0 | 109.5 | K123 G125 Q126 Y130 Y295 | K123-T128 HydrophobicContact CD-CG2 3.99Å; K123-T128 HydrophobicContact CG-CG2 3.85Å; G125-T128 PolarHBondContact N-OG1 2.91Å; G125-T128 PolarHBondContact O-N 2.76Å; G125-T128 VanDerWaalsContact O-N 3.12Å; G125-T128 PolarHBondContact O-OG1 3.19Å; Q126-T128 VanDerWaalsContact C-N 3.28Å; Q126-T128 PolarHBondContact O-N 3.15Å; T128-Y130 PolarHBondContact O-N 2.89Å; T128-Y130 PolarHBondContact OG1-N 2.88Å; T128-Y130 VanDerWaalsContact OG1-N 3.08Å; T128-Y295 VanDerWaalsContact CG2-OH 3.31Å; T128-Y295 WeakPolarHBondContact CG2-OH 3.33Å |
| 129 | P | 93.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 23.7 Ų | 23.7 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -65.9 | -16.6 | 166 | 28.5 | -33.8 | 0 | 0 | 0 | 112.2 | C74 E75 K131 Y295 | C74-P129 CarbonylContact C-O 3.54Å; C74-P129 VanDerWaalsContact O-O 3.13Å; E75-P129 WeakPolarHBondContact CA-O 3.38Å; E75-P129 WeakPolarHBondContact CB-O 3.4Å; E75-P129 PolarHBondContact N-O 2.86Å; P129-K131 VanDerWaalsContact C-N 3.29Å; P129-K131 PolarHBondContact O-N 3.35Å; P129-Y295 HydrophobicContact CG-CD1 3.26Å; P129-Y295 HydrophobicContact CG-CE1 3.71Å; P129-Y295 HydrophobicContact CG-CG 3.73Å |
| 130 | Y | 94.5 | Very high | 94.9 | Very high | 21 Ų | 21 | 24.2 Ų | 24.2 | 8% | 0.082 | 13% | 0.13 | C | C | . | . | trans | -84.4 | 65.4 | -178.5 | -48.7 | -39.2 | 0 | 0 | 0 | 112.1 | G73 C74 S102 V124 G125 T128 Y132 L294 Y295 | G73-Y130 VanDerWaalsContact O-CD1 3.29Å; G73-Y130 WeakPolarHBondContact O-CD1 3.41Å; C74-Y130 CarbonylContact O-C 3.57Å; S102-Y130 VanDerWaalsContact CB-CE1 3.4Å; S102-Y130 VanDerWaalsContact CB-OH 3.28Å; S102-Y130 WeakPolarHBondContact CB-OH 3.18Å; S102-Y130 PolarHBondContact OG-OH 3.24Å; S102-Y130 VanDerWaalsContact OG-OH 3.11Å; V124-Y130 HydrophobicContact CG1-CD2 4.35Å; G125-Y130 PolarHBondContact N-O 2.87Å; T128-Y130 PolarHBondContact O-N 2.89Å; T128-Y130 PolarHBondContact OG1-N 2.88Å; T128-Y130 VanDerWaalsContact OG1-N 3.08Å; Y130-Y132 VanDerWaalsContact C-N 3.32Å; Y130-L294 PolarHBondContact OH-O 3.02Å; Y130-Y295 HydrophobicContact CD2-CE1 4.17Å; Y130-Y295 HydrophobicContact CE2-CD1 4.04Å; Y130-Y295 AromaticContact CE2-CE1 3.65Å; Y130-Y295 HydrophobicContact CE2-CE1 3.65Å; Y130-Y295 AromaticContact CZ-CD1 3.99Å | ||
| 131 | K | 94.7 | Very high | 94.4 | Very high | 88 Ų | 88 | 27 Ų | 27 | 38% | 0.383 | 15% | 0.145 | S | C | . | . | trans | -75.7 | -22.9 | 179.1 | -62 | 175.3 | -172.3 | 160.4 | 0 | 112.7 | I47 C74 E75 P129 | I47-K131 PolarHBondContact N-O 3.06Å; C74-K131 PolarHBondContact O-N 2.94Å; E75-K131 HydrophobicContact CG-CD 4.2Å; E75-K131 IonicContact OE1-NZ 3.55Å; E75-K131 PolarHBondContact OE1-NZ 2.84Å; P129-K131 VanDerWaalsContact C-N 3.29Å; P129-K131 PolarHBondContact O-N 3.35Å | ||
| 132 | Y | 96.3 | Very high | 94 | Very high | 54 Ų | 54 | 29.9 Ų | 29.9 | 21% | 0.212 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.4 | 176.5 | -67.9 | -105.1 | 0 | 0 | 0 | 110.1 | Q45 K46 G73 C74 E75 P77 Y130 | Q45-Y132 WeakPolarHBondContact O-CA 3.22Å; K46-Y132 HydrophobicContact CB-CD1 3.81Å; K46-Y132 HydrophobicContact CB-CE1 3.53Å; K46-Y132 HydrophobicContact CD-CE1 4.03Å; K46-Y132 HydrophobicContact CD-CE2 4.31Å; K46-Y132 WeakPolarHBondContact CD-OH 3.45Å; K46-Y132 HydrophobicContact CG-CD1 4.24Å; K46-Y132 HydrophobicContact CG-CE1 3.82Å; K46-Y132 HydrophobicContact CG-CE2 4.17Å; G73-Y132 WeakPolarHBondContact CA-O 3.46Å; C74-Y132 PolarHBondContact N-O 2.02Å; C74-Y132 PolarHBondContact O-N 2.95Å; E75-Y132 WeakPolarHBondContact O-CD2 3.49Å; E75-Y132 WeakPolarHBondContact O-CE2 3.32Å; P77-Y132 HydrophobicContact CG-CD1 4.16Å; P77-Y132 HydrophobicContact CG-CE1 4.2Å; Y130-Y132 VanDerWaalsContact C-N 3.32Å |
| 133 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133 | 158.8 | -67.5 | 177.1 | 0 | 0 | 0 | 108.4 | Y25 I27 S44 Q45 I47 F52 L71 F72 V124 L155 | Y25-L133 HydrophobicContact CD1-CD1 4.34Å; Y25-L133 HydrophobicContact CE1-CD1 3.79Å; I27-L133 HydrophobicContact CD1-CB 3.78Å; S44-L133 WeakPolarHBondContact CA-O 3.37Å; Q45-L133 PolarHBondContact N-O 2.98Å; Q45-L133 PolarHBondContact O-N 3.44Å; I47-L133 HydrophobicContact CD1-CD1 4.45Å; I47-L133 HydrophobicContact CD1-CG 4.07Å; F52-L133 HydrophobicContact CZ-CD1 4.14Å; L71-L133 HydrophobicContact CD1-CB 4.13Å; L71-L133 HydrophobicContact CD1-CD2 4.45Å; L71-L133 HydrophobicContact CD2-CD2 4.43Å; L71-L133 HydrophobicContact CG-CD2 4.42Å; F72-L133 CarbonylContact O-C 3.58Å; F72-L133 WeakPolarHBondContact O-CA 3.24Å; V124-L133 HydrophobicContact CG1-CD2 4.31Å; L133-L155 HydrophobicContact CD1-CD1 3.98Å |
| 134 | V | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.4 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | C42 Y43 F72 P77 W84 I96 | C42-V134 HydrophobicContact CB-CG1 4.07Å; Y43-V134 WeakPolarHBondContact O-CA 3.31Å; F72-V134 HydrophobicContact CB-CB 4.34Å; F72-V134 PolarHBondContact N-O 3.21Å; F72-V134 PolarHBondContact O-N 3.49Å; P77-V134 HydrophobicContact CB-CG2 4.2Å; W84-V134 HydrophobicContact CH2-CG1 3.6Å; W84-V134 HydrophobicContact CH2-CG2 4.36Å; W84-V134 HydrophobicContact CZ2-CG1 4Å; I96-V134 HydrophobicContact CG2-CB 4.26Å; I96-V134 HydrophobicContact CG2-CG1 3.72Å |
| 135 | L | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.9 | 174.3 | 178.6 | 79.3 | 0 | 0 | 0 | 108.6 | I27 I29 C42 Y43 I69 V137 L153 | I27-L135 HydrophobicContact CD1-CB 3.81Å; I27-L135 HydrophobicContact CG1-CB 3.85Å; I27-L135 HydrophobicContact CG1-CD2 4.47Å; I27-L135 HydrophobicContact CG2-CD1 4.48Å; I29-L135 HydrophobicContact CD1-CD2 4.18Å; I29-L135 HydrophobicContact CG1-CD2 4Å; C42-L135 CarbonylContact C-O 3.54Å; C42-L135 VanDerWaalsContact CA-O 3.22Å; C42-L135 WeakPolarHBondContact CA-O 3.35Å; Y43-L135 PolarHBondContact N-O 2.03Å; Y43-L135 PolarHBondContact O-N 2.84Å; I69-L135 HydrophobicContact CG2-CD1 3.34Å; I69-L135 HydrophobicContact CG2-CG 4.37Å; L135-V137 HydrophobicContact CD2-CG2 3.93Å; L135-V137 HydrophobicContact CG-CG2 4.02Å; L135-L153 HydrophobicContact CD1-CD1 3.93Å; L135-L153 HydrophobicContact CD1-CG 4.1Å |
| 136 | Q | 96 | Very high | 93.2 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.4 | 166.6 | -177 | 178.7 | 66.7 | 0 | 0 | 109.3 | Y40 W41 I69 I70 F72 I96 | Y40-Q136 HydrophobicContact CD1-CG 4.04Å; W41-Q136 CarbonylContact O-C 3.47Å; W41-Q136 WeakPolarHBondContact O-CA 3.44Å; I69-Q136 CarbonylContact C-O 3.53Å; I69-Q136 WeakPolarHBondContact CA-O 3.49Å; I70-Q136 HydrophobicContact CB-CB 4.42Å; I70-Q136 PolarHBondContact N-O 2.93Å; I70-Q136 PolarHBondContact O-N 3.44Å; F72-Q136 HydrophobicContact CE2-CB 3.9Å; I96-Q136 VanDerWaalsContact CD1-NE2 3.32Å |
| 137 | V | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.6 | 171.9 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | I29 Y40 W41 V66 I69 L135 Y139 | I29-V137 HydrophobicContact CD1-CG2 3.95Å; I29-V137 HydrophobicContact CG1-CB 4.24Å; I29-V137 HydrophobicContact CG1-CG2 3.54Å; Y40-V137 WeakPolarHBondContact CA-O 3.33Å; W41-V137 PolarHBondContact N-O 3.23Å; W41-V137 PolarHBondContact O-N 2.64Å; V66-V137 HydrophobicContact CG1-CG1 3.88Å; V66-V137 HydrophobicContact CG2-CG1 3.92Å; I69-V137 HydrophobicContact CG1-CG1 4.43Å; I69-V137 HydrophobicContact CG1-CG2 4.36Å; L135-V137 HydrophobicContact CD2-CG2 3.93Å; L135-V137 HydrophobicContact CG-CG2 4.02Å; V137-Y139 HydrophobicContact CB-CE2 3.9Å; V137-Y139 HydrophobicContact CG1-CD1 4.35Å; V137-Y139 HydrophobicContact CG1-CD2 4.2Å; V137-Y139 HydrophobicContact CG1-CE1 3.82Å; V137-Y139 HydrophobicContact CG1-CE2 3.66Å; V137-Y139 VanDerWaalsContact CG1-CZ 3.45Å |
| 138 | H | 92.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.3 | 172 | 178.6 | -159.4 | 0 | 0 | 0 | 108.9 | D38 Y40 H67 H68 | D38-H138 WeakPolarHBondContact CA-NE2 3.39Å; D38-H138 IonicContact OD1-CE1 2.77Å; D38-H138 IonicContact OD1-NE2 3.8Å; D38-H138 PolarHBondContact OD1-NE2 2.95Å; Y40-H138 HydrophobicContact CD1-CB 3.76Å; Y40-H138 AromaticContact CD2-CD2 3.78Å; Y40-H138 HydrophobicContact CE1-CB 3.51Å; Y40-H138 AromaticContact CE1-CD2 3.94Å; Y40-H138 AromaticContact CE1-CG 3.52Å; Y40-H138 AromaticContact CE1-ND1 3.9Å; Y40-H138 AromaticContact CE2-CD2 3.4Å; Y40-H138 WeakPolarHBondContact CE2-CD2 3.25Å; Y40-H138 AromaticContact CE2-CE1 3.96Å; Y40-H138 AromaticContact CE2-CG 3.83Å; Y40-H138 AromaticContact CE2-NE2 3.51Å; Y40-H138 HydrophobicContact CG-CB 4.4Å; Y40-H138 AromaticContact CZ-CD2 3.49Å; Y40-H138 VanDerWaalsContact CZ-CD2 3.49Å; Y40-H138 AromaticContact CZ-CE1 3.68Å; Y40-H138 AromaticContact CZ-CG 3.39Å; Y40-H138 AromaticContact CZ-ND1 3.48Å; Y40-H138 AromaticContact CZ-NE2 3.68Å; Y40-H138 PolarHBondContact OH-CE1 3.23Å; Y40-H138 VanDerWaalsContact OH-CE1 3.28Å; Y40-H138 PolarHBondContact OH-ND1 3.39Å; H67-H138 AromaticContact CG-ND1 3.95Å; H67-H138 PolarHBondContact N-O 3.29Å; H67-H138 AromaticContact ND1-CE1 3.6Å; H67-H138 AromaticContact ND1-ND1 3.21Å; H67-H138 PolarHBondContact ND1-ND1 2.79Å; H68-H138 VanDerWaalsContact CD2-CB 3.48Å; H68-H138 WeakPolarHBondContact CD2-CB 3.18Å; H68-H138 AromaticContact CE1-CG 3.74Å; H68-H138 AromaticContact CE1-ND1 3.13Å; H68-H138 PolarHBondContact CE1-ND1 3.08Å; H68-H138 PolarHBondContact N-O 2.81Å; H68-H138 AromaticContact ND1-ND1 3.38Å; H68-H138 PolarHBondContact ND1-ND1 2.93Å; H68-H138 VanDerWaalsContact NE2-CB 3.35Å; H68-H138 WeakPolarHBondContact NE2-CB 3.29Å; H68-H138 AromaticContact NE2-CG 3.94Å; H68-H138 AromaticContact NE2-ND1 3.79Å; H68-H138 PolarHBondContact O-N 2.91Å |
| 139 | Y | 92 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.5 | 177.4 | -63.8 | -81.5 | 0 | 0 | 0 | 110.3 | V32 T34 D38 E39 W41 F65 V66 V137 M143 D149 | V32-Y139 HydrophobicContact CG2-CE2 3.88Å; V32-Y139 WeakPolarHBondContact CG2-OH 3.45Å; T34-Y139 HydrophobicContact CG2-CD1 4.25Å; T34-Y139 HydrophobicContact CG2-CD2 3.47Å; T34-Y139 VanDerWaalsContact CG2-CD2 3.47Å; T34-Y139 HydrophobicContact CG2-CE2 4.17Å; T34-Y139 HydrophobicContact CG2-CG 3.51Å; D38-Y139 CarbonylContact C-O 3.54Å; D38-Y139 WeakPolarHBondContact CA-O 3.39Å; D38-Y139 PolarHBondContact N-O 3.41Å; E39-Y139 PolarHBondContact N-O 3.02Å; E39-Y139 PolarHBondContact O-N 3.32Å; W41-Y139 HydrophobicContact CB-CE2 4.18Å; W41-Y139 AromaticContact CD1-CD2 3.95Å; W41-Y139 AromaticContact CD1-CE2 3.88Å; W41-Y139 HydrophobicContact CG-CE2 4.31Å; F65-Y139 HydrophobicContact CB-CD1 3.83Å; F65-Y139 HydrophobicContact CB-CE1 4.32Å; F65-Y139 CarbonylContact O-C 3.57Å; F65-Y139 VanDerWaalsContact O-CA 3.23Å; F65-Y139 WeakPolarHBondContact O-CA 3.38Å; V66-Y139 HydrophobicContact CG2-CD1 4.16Å; V66-Y139 HydrophobicContact CG2-CE1 3.81Å; V137-Y139 HydrophobicContact CB-CE2 3.9Å; V137-Y139 HydrophobicContact CG1-CD1 4.35Å; V137-Y139 HydrophobicContact CG1-CD2 4.2Å; V137-Y139 HydrophobicContact CG1-CE1 3.82Å; V137-Y139 HydrophobicContact CG1-CE2 3.66Å; V137-Y139 VanDerWaalsContact CG1-CZ 3.45Å; Y139-M143 HydrophobicContact CD1-CE 3.3Å; Y139-M143 HydrophobicContact CE1-CE 3.42Å; Y139-M143 VanDerWaalsContact CE1-CE 3.42Å; Y139-M143 HydrophobicContact CG-CE 4.02Å; Y139-D149 HydrophobicContact CE1-CB 3.87Å; Y139-D149 VanDerWaalsContact CE1-OD2 3.22Å; Y139-D149 WeakPolarHBondContact CE1-OD2 3.48Å; Y139-D149 VanDerWaalsContact CZ-OD2 3.31Å; Y139-D149 PolarHBondContact OH-OD2 2.93Å |
| 140 | K | 87.8 | Confident | 93.7 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -70.5 | -42.1 | 179.8 | 46.5 | 169.8 | -170.7 | 177.1 | 0 | 112.5 | D37 D38 I64 F65 H67 | D37-K140 WeakPolarHBondContact CA-O 3.33Å; D37-K140 WeakPolarHBondContact CB-O 3.36Å; D38-K140 PolarHBondContact N-O 3.09Å; D38-K140 VanDerWaalsContact N-O 3.1Å; I64-K140 WeakPolarHBondContact O-CE 3.03Å; I64-K140 PolarHBondContact O-NZ 2.88Å; F65-K140 WeakPolarHBondContact O-CG 3.39Å; F65-K140 PolarHBondContact O-N 2.98Å; H67-K140 HydrophobicContact CB-CB 4.22Å |
| 141 | D | 87.5 | Confident | 93.9 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 34% | 0.337 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -124 | 154.6 | -169.6 | -58.1 | -56.2 | 0 | 0 | 0 | 112.6 | T34 | T34-D141 PolarHBondContact OG1-O 2.78Š|
| 142 | S | 90.8 | Very high | 94 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 43% | 0.427 | 23% | 0.226 | S | C | . | . | trans | -62.4 | 149.1 | 163.4 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | T34 D37 | T34-S142 WeakPolarHBondContact OG1-CA 3.46Å; D37-S142 PolarHBondContact OD1-N 2.83Å; D37-S142 VanDerWaalsContact OD1-N 3.09Å | ||
| 143 | M | 94 | Very high | 94.1 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | trans | -108.6 | 151.4 | -179.8 | -69.1 | 167.3 | -160.9 | 0 | 0 | 112 | T33 T34 F65 Y139 V147 D149 | T33-M143 HydrophobicContact CG2-CB 3.81Å; T34-M143 HydrophobicContact CG2-CE 3.95Å; T34-M143 PolarHBondContact O-N 3.21Å; T34-M143 VanDerWaalsContact OG1-CG 3.3Å; T34-M143 WeakPolarHBondContact OG1-CG 3.47Å; T34-M143 PolarHBondContact OG1-N 3.46Å; F65-M143 HydrophobicContact CB-CE 3.53Å; F65-M143 HydrophobicContact CD1-CE 4.19Å; F65-M143 HydrophobicContact CD1-CG 3.66Å; F65-M143 HydrophobicContact CD2-CE 4.1Å; F65-M143 HydrophobicContact CE1-CG 3.84Å; F65-M143 HydrophobicContact CG-CE 3.68Å; F65-M143 HydrophobicContact CG-CG 4.08Å; F65-M143 HydrophobicContact CG-SD 4.4Å; F65-M143 HydrophobicContact CZ-CG 4.41Å; Y139-M143 HydrophobicContact CD1-CE 3.3Å; Y139-M143 HydrophobicContact CE1-CE 3.42Å; Y139-M143 VanDerWaalsContact CE1-CE 3.42Å; Y139-M143 HydrophobicContact CG-CE 4.02Å; M143-V147 HydrophobicContact CB-CB 4.31Å; M143-V147 HydrophobicContact CB-CG1 4.34Å; M143-V147 HydrophobicContact CG-CG1 4.27Å; M143-V147 HydrophobicContact SD-CG1 4.17Å; M143-D149 HydrophobicContact CE-CB 3.71Å; M143-D149 HydrophobicContact SD-CB 4.25Å | ||
| 144 | D | 92.5 | Very high | 94.2 | Very high | 121 Ų | 121 | 42.7 Ų | 42.7 | 65% | 0.647 | 22% | 0.224 | S | C | * | . | trans | -57.8 | 148.2 | 166 | -75.1 | -32.2 | 0 | 0 | 0 | 111.4 | T33 D146 V147 | T33-D144 WeakPolarHBondContact CG2-O 3.49Å; D144-D146 PolarHBondContact O-N 3.33Å; D144-D146 VanDerWaalsContact O-N 3.11Å; D144-V147 HydrophobicContact CB-CG2 4.01Å; D144-V147 PolarHBondContact O-N 3.21Å | ||
| 145 | L | 89 | Confident | 94.2 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 71% | 0.712 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.4 | -171.3 | -79.5 | 160.5 | 0 | 0 | 0 | 114.8 | R35 | R35-L145 VanDerWaalsContact NH2-CD2 3.31Š|
| 146 | D | 92.7 | Very high | 94.2 | Very high | 139 Ų | 139 | 43.8 Ų | 43.8 | 74% | 0.743 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -11.5 | -179 | 61.8 | -39.8 | 0 | 0 | 0 | 113.6 | D144 | D144-D146 PolarHBondContact O-N 3.33Å; D144-D146 VanDerWaalsContact O-N 3.11Å |
| 147 | V | 93 | Very high | 94.2 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | trans | -79.1 | 134.8 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 110 | T33 F65 M143 D144 | T33-V147 WeakPolarHBondContact CB-O 3.26Å; T33-V147 WeakPolarHBondContact CG2-O 3.5Å; T33-V147 PolarHBondContact OG1-O 2.8Å; F65-V147 HydrophobicContact CE1-CG1 4.45Å; F65-V147 HydrophobicContact CE2-CG1 3.66Å; F65-V147 HydrophobicContact CZ-CG1 3.61Å; M143-V147 HydrophobicContact CB-CB 4.31Å; M143-V147 HydrophobicContact CB-CG1 4.34Å; M143-V147 HydrophobicContact CG-CG1 4.27Å; M143-V147 HydrophobicContact SD-CG1 4.17Å; D144-V147 HydrophobicContact CB-CG2 4.01Å; D144-V147 PolarHBondContact O-N 3.21Å | ||
| 148 | K | 94.9 | Very high | 94.2 | Very high | 146 Ų | 146 | 44.2 Ų | 44.2 | 64% | 0.635 | 23% | 0.234 | S | C | * | . | trans | -131.6 | 117 | 172.8 | -65.3 | -160.9 | 175 | -152 | 0 | 110.8 | V32 | V32-K148 CarbonylContact O-C 3.51Å; V32-K148 WeakPolarHBondContact O-CA 3.27Å | ||
| 149 | D | 96.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 143.6 | 175.2 | 178.9 | 59.8 | 0 | 0 | 0 | 111.9 | G31 V32 Y139 M143 S151 | G31-D149 CarbonylContact C-O 3.54Å; G31-D149 WeakPolarHBondContact CA-O 2.94Å; G31-D149 PolarHBondContact N-O 3.16Å; V32-D149 HydrophobicContact CG2-CB 4.41Å; V32-D149 PolarHBondContact N-O 3.35Å; V32-D149 PolarHBondContact O-N 3.4Å; Y139-D149 HydrophobicContact CE1-CB 3.87Å; Y139-D149 VanDerWaalsContact CE1-OD2 3.22Å; Y139-D149 WeakPolarHBondContact CE1-OD2 3.48Å; Y139-D149 VanDerWaalsContact CZ-OD2 3.31Å; Y139-D149 PolarHBondContact OH-OD2 2.93Å; M143-D149 HydrophobicContact CE-CB 3.71Å; M143-D149 HydrophobicContact SD-CB 4.25Å; D149-S151 PolarHBondContact OD1-N 3.07Å; D149-S151 PolarHBondContact OD1-OG 3.1Å; D149-S151 WeakPolarHBondContact OD2-CB 3.26Å; D149-S151 PolarHBondContact OD2-N 3.14Å; D149-S151 PolarHBondContact OD2-OG 3.19Å |
| 150 | T | 97 | Very high | 94.2 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | trans | -128.7 | 31.2 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | R28 I29 | R28-T150 PolarHBondContact NE-O 3.42Å; R28-T150 PolarHBondContact NH2-O 2.87Å; R28-T150 PolarHBondContact NH2-OG1 3.5Å; R28-T150 VanDerWaalsContact NH2-OG1 3.08Å; I29-T150 VanDerWaalsContact O-CA 3.3Å; I29-T150 WeakPolarHBondContact O-CA 3.31Å | ||
| 151 | S | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | trans | -66.7 | 158 | -176 | -65 | 0 | 0 | 0 | 0 | 112.5 | I29 V60 Y61 D62 V66 D149 | I29-S151 PolarHBondContact N-O 3.1Å; V60-S151 CarbonylContact O-C 3.56Å; V60-S151 VanDerWaalsContact O-CA 3.23Å; V60-S151 WeakPolarHBondContact O-CA 3.42Å; Y61-S151 VanDerWaalsContact CA-OG 3.27Å; Y61-S151 WeakPolarHBondContact CA-OG 3.47Å; D62-S151 PolarHBondContact N-OG 3.33Å; V66-S151 VanDerWaalsContact CG2-OG 3.25Å; V66-S151 WeakPolarHBondContact CG2-OG 3.41Å; D149-S151 PolarHBondContact OD1-N 3.07Å; D149-S151 PolarHBondContact OD1-OG 3.1Å; D149-S151 WeakPolarHBondContact OD2-CB 3.26Å; D149-S151 PolarHBondContact OD2-N 3.14Å; D149-S151 PolarHBondContact OD2-OG 3.19Å | ||
| 152 | G | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | -143.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I27 V60 | I27-G152 WeakPolarHBondContact O-CA 3.44Å; V60-G152 PolarHBondContact N-O 2.85Å; V60-G152 PolarHBondContact O-N 2.73Å |
| 153 | L | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.8 | -173.1 | -64.9 | 166.5 | 0 | 0 | 0 | 111.9 | I27 Q58 P59 I69 L71 Y105 L135 L155 | I27-L153 HydrophobicContact CG2-CB 4.06Å; I27-L153 PolarHBondContact N-O 3.45Å; I27-L153 PolarHBondContact O-N 3.45Å; Q58-L153 WeakPolarHBondContact O-CA 3.39Å; P59-L153 HydrophobicContact CB-CD2 4.49Å; I69-L153 HydrophobicContact CG2-CD1 4.18Å; I69-L153 HydrophobicContact CG2-CD2 4.46Å; I69-L153 HydrophobicContact CG2-CG 4.1Å; L71-L153 HydrophobicContact CB-CD1 3.75Å; L71-L153 HydrophobicContact CD1-CD1 4.33Å; L71-L153 HydrophobicContact CD2-CD1 4.1Å; L71-L153 HydrophobicContact CG-CD1 4.29Å; Y105-L153 HydrophobicContact CD1-CD1 4.15Å; Y105-L153 HydrophobicContact CD1-CD2 4.07Å; Y105-L153 HydrophobicContact CE1-CD2 3.98Å; L135-L153 HydrophobicContact CD1-CD1 3.93Å; L135-L153 HydrophobicContact CD1-CG 4.1Å; L153-L155 HydrophobicContact CB-CD2 3.88Å; L153-L155 HydrophobicContact CB-CG 4.49Å; L153-L155 HydrophobicContact CD1-CD2 4.3Å |
| 154 | E | 98.1 | Very high | 95.3 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.8 | 156.8 | -177.7 | -170.7 | 91.4 | 0 | 0 | 108 | K24 E26 Q58 V60 | K24-E154 HydrophobicContact CB-CG 4.43Å; K24-E154 HydrophobicContact CD-CG 4.35Å; K24-E154 WeakPolarHBondContact CD-OE2 3.43Å; K24-E154 VanDerWaalsContact CE-OE1 3.26Å; K24-E154 WeakPolarHBondContact CE-OE1 3.24Å; K24-E154 HydrophobicContact CG-CG 4.46Å; K24-E154 IonicContact NZ-OE1 3.19Å; K24-E154 PolarHBondContact NZ-OE1 2.85Å; K24-E154 IonicContact NZ-OE2 2.78Å; K24-E154 PolarHBondContact NZ-OE2 2.96Å; E26-E154 HydrophobicContact CG-CB 4.48Å; E26-E154 HydrophobicContact CG-CG 4.35Å; Q58-E154 HydrophobicContact CB-CB 4.18Å; Q58-E154 WeakPolarHBondContact CB-O 3.34Å; Q58-E154 HydrophobicContact CG-CB 4.49Å; Q58-E154 PolarHBondContact N-O 3.41Å; Q58-E154 PolarHBondContact O-N 2.7Å; V60-E154 HydrophobicContact CG2-CB 4.39Å |
| 155 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.3 | -178.5 | -52 | 179.9 | 0 | 0 | 0 | 110 | K24 Y25 I27 I54 G56 F57 L71 L133 L153 T157 | K24-L155 WeakPolarHBondContact CA-O 3.42Å; Y25-L155 HydrophobicContact CD1-CD1 4Å; Y25-L155 PolarHBondContact N-O 2.83Å; Y25-L155 WeakPolarHBondContact O-CB 3.37Å; Y25-L155 PolarHBondContact O-N 2.77Å; I27-L155 HydrophobicContact CG2-CD1 4.5Å; I54-L155 HydrophobicContact CD1-CD1 4.11Å; I54-L155 HydrophobicContact CG1-CD1 4.49Å; I54-L155 HydrophobicContact CG2-CB 4.25Å; I54-L155 HydrophobicContact CG2-CD2 4.47Å; G56-L155 WeakPolarHBondContact O-CA 3.37Å; F57-L155 HydrophobicContact CD1-CD2 3.55Å; F57-L155 HydrophobicContact CE1-CD2 4.08Å; F57-L155 HydrophobicContact CG-CD2 4.41Å; L71-L155 HydrophobicContact CD2-CD1 3.92Å; L71-L155 HydrophobicContact CD2-CD2 4.06Å; L133-L155 HydrophobicContact CD1-CD1 3.98Å; L153-L155 HydrophobicContact CB-CD2 3.88Å; L153-L155 HydrophobicContact CB-CG 4.49Å; L153-L155 HydrophobicContact CD1-CD2 4.3Å; L155-T157 HydrophobicContact CB-CG2 4.13Å |
| 156 | T | 97.7 | Very high | 96.1 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.4 | 168 | -60.9 | 0 | 0 | 0 | 0 | 108.7 | K22 T55 G56 | K22-T156 HydrophobicContact CB-CG2 4.24Å; K22-T156 HydrophobicContact CD-CG2 3.8Å; K22-T156 HydrophobicContact CG-CG2 4.2Å; T55-T156 PolarHBondContact N-O 3.01Å; T55-T156 PolarHBondContact OG1-O 3Å; T55-T156 VanDerWaalsContact OG1-O 3.1Å; G56-T156 PolarHBondContact N-O 3.28Å; G56-T156 PolarHBondContact O-N 2.73Å |
| 157 | T | 96 | Very high | 96.3 | Very high | 10 Ų | 10 | 32 Ų | 32 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 161.6 | -176.4 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | K22 N23 F52 Y53 I54 L155 | K22-T157 CarbonylContact C-O 3.55Å; K22-T157 WeakPolarHBondContact CA-O 3.19Å; N23-T157 PolarHBondContact N-O 3.27Å; N23-T157 PolarHBondContact O-N 2.94Å; N23-T157 PolarHBondContact O-OG1 3.18Å; F52-T157 HydrophobicContact CD2-CG2 3.56Å; F52-T157 HydrophobicContact CE2-CG2 3.72Å; Y53-T157 CarbonylContact O-C 3.47Å; Y53-T157 VanDerWaalsContact O-CA 3.28Å; Y53-T157 WeakPolarHBondContact O-CA 3.36Å; I54-T157 HydrophobicContact CG1-CG2 4.24Å; L155-T157 HydrophobicContact CB-CG2 4.13Å |
| 158 | Q | 95 | Very high | 96.5 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 152.8 | 169.6 | 64.4 | -175.8 | 41.9 | 0 | 0 | 109.6 | K20 Y53 T55 T160 | K20-Q158 VanDerWaalsContact NZ-NE2 3.16Å; Y53-Q158 PolarHBondContact N-O 2.77Å; Y53-Q158 PolarHBondContact O-N 2.96Å; T55-Q158 HydrophobicContact CG2-CG 4.39Å; Q158-T160 WeakPolarHBondContact CG-O 3.37Å; Q158-T160 PolarHBondContact NE2-O 3.13Å |
| 159 | S | 92.8 | Very high | 96.6 | Very high | 75 Ų | 75 | 23.5 Ų | 23.5 | 52% | 0.524 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -84.7 | -21 | 175.9 | 54.3 | 0 | 0 | 0 | 0 | 113 | ||
| 160 | T | 92.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 23.7 Ų | 23.7 | 34% | 0.337 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -83.9 | 136.2 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | K20 Y53 Q158 | K20-T160 VanDerWaalsContact CD-OG1 3.23Å; K20-T160 WeakPolarHBondContact CD-OG1 3.38Å; K20-T160 VanDerWaalsContact CE-OG1 3.25Å; K20-T160 WeakPolarHBondContact CE-OG1 3.33Å; K20-T160 WeakPolarHBondContact CG-OG1 3.29Å; Y53-T160 VanDerWaalsContact CD2-O 3.28Å; Y53-T160 WeakPolarHBondContact CD2-O 3.36Å; Q158-T160 WeakPolarHBondContact CG-O 3.37Å; Q158-T160 PolarHBondContact NE2-O 3.13Å |
| 161 | P | 93 | Very high | 96.5 | Very high | 74 Ų | 74 | 20.8 Ų | 20.8 | 48% | 0.481 | 13% | 0.126 | S | C | . | . | P | Polyproline II helix | trans | -61.1 | 147.5 | 178.1 | 23.5 | -32.2 | 0 | 0 | 0 | 112.3 | K20 Y53 | K20-P161 PolarHBondContact NZ-O 3.04Å; K20-P161 VanDerWaalsContact NZ-O 3.1Å; Y53-P161 HydrophobicContact CE1-CB 4.08Å; Y53-P161 VanDerWaalsContact CE2-CA 3.47Å; Y53-P161 HydrophobicContact CE2-CB 4.03Å; Y53-P161 VanDerWaalsContact CZ-CA 3.46Å |
| 162 | T | 95.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -86.6 | 163.7 | 160.9 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | D119 S121 K164 N288 | D119-T162 WeakPolarHBondContact O-CB 3.4Å; D119-T162 WeakPolarHBondContact OD1-CA 3.4Å; D119-T162 WeakPolarHBondContact OD1-CB 3.29Å; S121-T162 WeakPolarHBondContact OG-CG2 3.4Å; S121-T162 PolarHBondContact OG-OG1 3.12Å; T162-K164 VanDerWaalsContact C-N 3.32Å; T162-K164 PolarHBondContact OG1-O 2.99Å; T162-N288 PolarHBondContact O-ND2 3.12Å; T162-N288 PolarHBondContact O-OD1 3.44Å |
| 163 | S | 96.9 | Very high | 96.1 | Very high | 54 Ų | 54 | 22.4 Ų | 22.4 | 38% | 0.378 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -78.6 | -20.2 | 172.2 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | D119 N288 | D119-S163 PolarHBondContact OD1-N 3.02Å; D119-S163 WeakPolarHBondContact OD2-CB 3.28Å; D119-S163 PolarHBondContact OD2-N 3.49Å; D119-S163 PolarHBondContact OD2-OG 2.84Å; S163-N288 PolarHBondContact O-N 3.48Å |
| 164 | K | 98.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 22.9 Ų | 22.9 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129 | -178.6 | -58.4 | 167.5 | 178.3 | 179.9 | 0 | 110.3 | D119 V120 S121 T162 W285 V286 | D119-K164 WeakPolarHBondContact O-CB 3.33Å; D119-K164 PolarHBondContact O-N 3.16Å; V120-K164 WeakPolarHBondContact CA-O 3.4Å; V120-K164 HydrophobicContact CG2-CB 4.01Å; V120-K164 HydrophobicContact CG2-CD 3.89Å; S121-K164 PolarHBondContact N-O 3.32Å; T162-K164 VanDerWaalsContact C-N 3.32Å; T162-K164 PolarHBondContact OG1-O 2.99Å; K164-W285 HydrophobicContact CB-CB 4.03Å; K164-W285 HydrophobicContact CB-CD2 4.02Å; K164-W285 HydrophobicContact CB-CE3 3.91Å; K164-W285 HydrophobicContact CB-CG 4.07Å; K164-W285 HydrophobicContact CD-CD2 3.64Å; K164-W285 HydrophobicContact CD-CE3 3.77Å; K164-W285 HydrophobicContact CD-CG 4.15Å; K164-W285 HydrophobicContact CD-CH2 4.3Å; K164-W285 HydrophobicContact CD-CZ2 4.16Å; K164-W285 HydrophobicContact CD-CZ3 4.11Å; K164-W285 HydrophobicContact CG-CD2 3.91Å; K164-W285 HydrophobicContact CG-CE3 3.59Å; K164-W285 HydrophobicContact CG-CG 4.44Å; K164-W285 HydrophobicContact CG-CZ3 4.02Å; K164-V286 CarbonylContact C-O 3.52Å; K164-V286 WeakPolarHBondContact CA-O 3.43Å |
| 165 | L | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.4 | 179.9 | -56.9 | -177.5 | 0 | 0 | 0 | 109.7 | Y53 S121 K123 W285 V286 N288 E291 L294 | Y53-L165 HydrophobicContact CD1-CD2 4.23Å; Y53-L165 HydrophobicContact CE1-CD2 3.98Å; S121-L165 CarbonylContact O-C 3.5Å; S121-L165 WeakPolarHBondContact O-CA 3.18Å; K123-L165 HydrophobicContact CB-CD2 4.1Å; K123-L165 HydrophobicContact CD-CD1 4.11Å; L165-W285 CarbonylContact O-C 3.59Å; L165-W285 WeakPolarHBondContact O-CA 3.29Å; L165-V286 PolarHBondContact N-O 2.75Å; L165-V286 PolarHBondContact O-N 3.29Å; L165-N288 VanDerWaalsContact CG-OD1 3.24Å; L165-N288 WeakPolarHBondContact CG-OD1 3.41Å; L165-E291 HydrophobicContact CD1-CB 3.91Å; L165-E291 HydrophobicContact CD1-CG 3.66Å; L165-L294 HydrophobicContact CB-CD1 3.48Å; L165-L294 VanDerWaalsContact CB-CD1 3.48Å; L165-L294 HydrophobicContact CD1-CD1 4.25Å |
| 166 | A | 98.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 27 Ų | 27 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 147.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M116 V120 S121 F122 F200 Y284 | M116-A166 HydrophobicContact CE-CB 3.5Å; M116-A166 VanDerWaalsContact CE-CB 3.5Å; V120-A166 HydrophobicContact CG1-CB 3.98Å; S121-A166 PolarHBondContact O-N 2.63Å; F122-A166 HydrophobicContact CD1-CB 4.02Å; F122-A166 WeakPolarHBondContact CD1-O 3.48Å; F122-A166 HydrophobicContact CD2-CB 3.89Å; F122-A166 HydrophobicContact CE1-CB 3.93Å; F122-A166 HydrophobicContact CE2-CB 3.8Å; F122-A166 HydrophobicContact CG-CB 4.01Å; F122-A166 HydrophobicContact CZ-CB 3.82Å; A166-F200 HydrophobicContact CB-CE1 4.3Å; A166-F200 HydrophobicContact CB-CZ 4.33Å; A166-Y284 CarbonylContact C-O 3.6Å; A166-Y284 VanDerWaalsContact CA-O 3.26Å; A166-Y284 WeakPolarHBondContact CA-O 3.46Å |
| 167 | G | 97.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 172.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | M283 Y284 | G167-M283 WeakPolarHBondContact O-CA 3.33Å; G167-Y284 PolarHBondContact N-O 3.08Å; G167-Y284 PolarHBondContact O-N 2.9Å |
| 168 | V | 97.2 | Very high | 95 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.9 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | I103 F122 Y281 I282 M283 Q300 | I103-V168 WeakPolarHBondContact O-CB 3.45Å; I103-V168 WeakPolarHBondContact O-CG2 3.49Å; F122-V168 HydrophobicContact CE1-CG2 4.09Å; F122-V168 HydrophobicContact CZ-CG2 3.88Å; V168-Y281 HydrophobicContact CG1-CD1 4.16Å; V168-I282 CarbonylContact C-O 3.58Å; V168-I282 WeakPolarHBondContact CA-O 3.28Å; V168-M283 HydrophobicContact CG2-CE 4.44Å; V168-M283 HydrophobicContact CG2-CG 3.89Å; V168-Q300 PolarHBondContact O-OE1 2.82Å |
| 169 | Y | 96.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125 | 169.6 | -163.5 | -74.8 | 0 | 0 | 0 | 108.1 | L171 Y191 I253 I282 N299 Q300 C302 | Y169-L171 HydrophobicContact CD1-CD1 4.16Å; Y169-L171 HydrophobicContact CD1-CG 4.42Å; Y169-L171 HydrophobicContact CE1-CG 4.33Å; Y169-Y191 HydrophobicContact CE2-CD2 4.34Å; Y169-I253 HydrophobicContact CD1-CD1 4.07Å; Y169-I253 HydrophobicContact CD1-CG2 4.46Å; Y169-I253 HydrophobicContact CD2-CD1 3.97Å; Y169-I253 HydrophobicContact CE1-CB 4.47Å; Y169-I253 HydrophobicContact CE1-CD1 3.91Å; Y169-I253 HydrophobicContact CE1-CG2 4.47Å; Y169-I253 HydrophobicContact CE2-CD1 3.81Å; Y169-I253 HydrophobicContact CG-CD1 4.11Å; Y169-I282 PolarHBondContact N-O 2.95Å; Y169-I282 PolarHBondContact O-N 2.82Å; Y169-N299 WeakPolarHBondContact CD2-O 3.38Å; Y169-N299 HydrophobicContact CE2-CB 4.32Å; Y169-N299 WeakPolarHBondContact CE2-O 2.91Å; Y169-Q300 CarbonylContact C-O 3.59Å; Y169-Q300 WeakPolarHBondContact CA-O 3.49Å; Y169-C302 HydrophobicContact CE1-CB 3.77Å |
| 170 | T | 96.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.5 | -174.6 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | V172 Y281 Q300 V301 C302 | T170-V172 HydrophobicContact CG2-CG2 3.75Å; T170-Y281 HydrophobicContact CG2-CD1 3.61Å; T170-Y281 HydrophobicContact CG2-CE1 3.42Å; T170-Y281 VanDerWaalsContact CG2-CE1 3.42Å; T170-Y281 HydrophobicContact CG2-CG 4.5Å; T170-Y281 WeakPolarHBondContact OG1-CD1 3.41Å; T170-Q300 PolarHBondContact N-O 2.96Å; T170-V301 CarbonylContact O-C 3.59Å; T170-V301 WeakPolarHBondContact O-CA 3.3Å; T170-C302 PolarHBondContact O-N 3.23Å |
| 171 | L | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.9 | 168.4 | -59.6 | 98.7 | 0 | 0 | 0 | 108.8 | Y169 V187 I253 A255 N279 F280 I282 C302 | Y169-L171 HydrophobicContact CD1-CD1 4.16Å; Y169-L171 HydrophobicContact CD1-CG 4.42Å; Y169-L171 HydrophobicContact CE1-CG 4.33Å; L171-V187 HydrophobicContact CB-CB 4.24Å; L171-V187 HydrophobicContact CB-CG1 3.93Å; L171-V187 HydrophobicContact CD2-CB 4.4Å; L171-V187 HydrophobicContact CD2-CG1 4.18Å; L171-I253 HydrophobicContact CD1-CG2 3.94Å; L171-I253 HydrophobicContact CD2-CG2 4.12Å; L171-A255 HydrophobicContact CB-CB 4.12Å; L171-A255 HydrophobicContact CD2-CB 4.08Å; L171-A255 HydrophobicContact CG-CB 4.47Å; L171-N279 CarbonylContact O-C 3.57Å; L171-N279 VanDerWaalsContact O-CA 3.28Å; L171-N279 WeakPolarHBondContact O-CA 3.23Å; L171-F280 HydrophobicContact CB-CB 4.3Å; L171-F280 HydrophobicContact CD1-CB 4.33Å; L171-F280 HydrophobicContact CD1-CD1 4.16Å; L171-F280 WeakPolarHBondContact CD1-O 3.12Å; L171-F280 PolarHBondContact N-O 2.03Å; L171-F280 PolarHBondContact O-N 3.33Å; L171-I282 HydrophobicContact CD1-CD1 3.63Å; L171-I282 HydrophobicContact CD1-CG1 4.3Å; L171-C302 CarbonylContact C-O 3.44Å; L171-C302 VanDerWaalsContact CA-O 3.31Å; L171-C302 WeakPolarHBondContact CA-O 3.38Å; L171-C302 HydrophobicContact CD2-CB 4.42Å; L171-C302 HydrophobicContact CG-CB 4.2Å |
| 172 | V | 94.2 | Very high | 95.4 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131 | -176.7 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | T170 V187 C278 C302 F303 M304 | T170-V172 HydrophobicContact CG2-CG2 3.75Å; V172-V187 VanDerWaalsContact C-CG2 3.46Å; V172-V187 WeakPolarHBondContact O-CG2 3.12Å; V172-C278 WeakPolarHBondContact CA-O 3.47Å; V172-C302 PolarHBondContact N-O 3.01Å; V172-F303 HydrophobicContact CB-CD2 3.89Å; V172-F303 HydrophobicContact CG1-CD2 3.69Å; V172-F303 HydrophobicContact CG1-CE2 3.99Å; V172-F303 WeakPolarHBondContact O-CA 3.22Å; V172-M304 PolarHBondContact O-N 2.93Å; V172-M304 VanDerWaalsContact O-N 3.15Å |
| 173 | S | 93.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.6 | 171 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | E175 C278 M304 | S173-E175 PolarHBondContact OG-N 2.84Å; S173-C278 PolarHBondContact N-O 2.88Å; S173-M304 CarbonylContact C-O 3.51Å |
| 174 | G | 89.6 | Confident | 94.9 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | trans | -92.9 | -6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | D176 M269 M304 | G174-D176 PolarHBondContact O-N 2.79Å; G174-M269 VanDerWaalsContact C-CG 3.45Å; G174-M269 VanDerWaalsContact O-CG 3.31Å; G174-M269 WeakPolarHBondContact O-CG 3.47Å; G174-M304 PolarHBondContact N-O 2.92Å | ||
| 175 | E | 90.6 | Very high | 94.6 | Very high | 52 Ų | 52 | 28.4 Ų | 28.4 | 24% | 0.243 | 17% | 0.169 | C | C | . | . | trans | -68.8 | 122.8 | -175.3 | -176.4 | -180 | 178.8 | 0 | 0 | 113.5 | S173 L185 M269 | S173-E175 PolarHBondContact OG-N 2.84Å; E175-L185 HydrophobicContact CB-CD2 3.98Å; E175-L185 HydrophobicContact CG-CD2 3.81Å; E175-M269 WeakPolarHBondContact O-CE 3.12Å | ||
| 176 | D | 93.8 | Very high | 94.2 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 39% | 0.39 | 17% | 0.171 | S | C | . | . | trans | -65.7 | 152.3 | 173.8 | -76.9 | -6.9 | 0 | 0 | 0 | 113 | G174 I266 R268 M269 | G174-D176 PolarHBondContact O-N 2.79Å; D176-I266 HydrophobicContact CB-CG2 3.82Å; D176-R268 WeakPolarHBondContact OD1-CA 3.3Å; D176-M269 PolarHBondContact OD1-N 2.95Å | ||
| 177 | I | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -103.2 | 108.2 | 178.2 | -50.2 | 156.3 | 0 | 0 | 0 | 109.4 | A183 L185 H209 M259 N261 I266 I267 M269 E276 | I177-A183 HydrophobicContact CG2-CB 3.93Å; I177-L185 HydrophobicContact CD1-CD1 4.31Å; I177-L185 HydrophobicContact CG1-CD1 3.98Å; I177-L185 HydrophobicContact CG1-CD2 4.27Å; I177-H209 HydrophobicContact CD1-CB 4.36Å; I177-M259 HydrophobicContact CD1-CB 3.71Å; I177-M259 HydrophobicContact CD1-CE 3.68Å; I177-M259 HydrophobicContact CD1-CG 3.81Å; I177-M259 HydrophobicContact CG1-CB 4.14Å; I177-M259 HydrophobicContact CG1-CG 4.22Å; I177-M259 HydrophobicContact CG2-CB 4.36Å; I177-N261 HydrophobicContact CB-CB 4.47Å; I177-N261 HydrophobicContact CG2-CB 3.55Å; I177-N261 PolarHBondContact O-ND2 3.28Å; I177-I266 WeakPolarHBondContact O-CA 3.3Å; I177-I267 HydrophobicContact CB-CB 4.29Å; I177-I267 PolarHBondContact N-O 2.88Å; I177-I267 PolarHBondContact O-N 3.1Å; I177-M269 HydrophobicContact CD1-CE 4.08Å; I177-M269 HydrophobicContact CG1-CE 4.19Å; I177-E276 HydrophobicContact CD1-CB 4.1Å; I177-E276 HydrophobicContact CD1-CG 3.53Å |
| 178 | G | 95.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 17% | 0.165 | 17% | 0.17 | C | C | . | . | trans | -60.4 | 165.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q181 N261 | G178-Q181 VanDerWaalsContact C-NE2 3.27Å; G178-Q181 VanDerWaalsContact O-CG 3.24Å; G178-Q181 WeakPolarHBondContact O-CG 3.47Å; G178-Q181 PolarHBondContact O-NE2 3.3Å; G178-N261 PolarHBondContact O-ND2 2.89Å | ||
| 179 | P | 96.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 30 Ų | 30 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 149.2 | -170.9 | 30.3 | -36.7 | 0 | 0 | 0 | 113.9 | Q181 N261 S264 | P179-Q181 VanDerWaalsContact C-N 3.32Å; P179-Q181 PolarHBondContact O-N 2.83Å; P179-N261 WeakPolarHBondContact CA-ND2 3.49Å; P179-S264 VanDerWaalsContact CB-C 3.47Å; P179-S264 VanDerWaalsContact CB-O 3.25Å; P179-S264 WeakPolarHBondContact CB-O 3.25Å |
| 180 | S | 96.1 | Very high | 92.9 | Very high | 90 Ų | 90 | 32 Ų | 32 | 63% | 0.629 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 44.1 | 167.6 | -55.5 | 0 | 0 | 0 | 0 | 114.3 | N261 E263 | S180-N261 CarbonylContact C-O 3.57Å; S180-N261 WeakPolarHBondContact CA-O 3.35Å; S180-N261 PolarHBondContact N-O 3.26Å; S180-N261 VanDerWaalsContact N-O 3.1Å; S180-E263 PolarHBondContact N-O 2.82Å; S180-E263 PolarHBondContact OG-O 2.93Å; S180-E263 VanDerWaalsContact OG-O 3.05Å |
| 181 | Q | 94.3 | Very high | 92.9 | Very high | 87 Ų | 87 | 31.5 Ų | 31.5 | 41% | 0.407 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 160.5 | -176.8 | 62.7 | 173.5 | -13.6 | 0 | 0 | 113.2 | G178 P179 N261 | G178-Q181 VanDerWaalsContact C-NE2 3.27Å; G178-Q181 VanDerWaalsContact O-CG 3.24Å; G178-Q181 WeakPolarHBondContact O-CG 3.47Å; G178-Q181 PolarHBondContact O-NE2 3.3Å; P179-Q181 VanDerWaalsContact C-N 3.32Å; P179-Q181 PolarHBondContact O-N 2.83Å; Q181-N261 PolarHBondContact N-O 2.88Å; Q181-N261 PolarHBondContact O-N 3.04Å |
| 182 | I | 93.4 | Very high | 92.9 | Very high | 92 Ų | 92 | 35.1 Ų | 35.1 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.7 | 160.5 | -60.7 | 175.5 | 0 | 0 | 0 | 106.9 | I258 M259 Q260 | I182-I258 HydrophobicContact CG2-CG2 4.05Å; I182-M259 CarbonylContact C-O 3.53Å; I182-M259 VanDerWaalsContact CA-O 3.26Å; I182-M259 WeakPolarHBondContact CA-O 3.19Å; I182-M259 WeakPolarHBondContact CG2-O 3.38Å; I182-Q260 HydrophobicContact CG1-CB 4.49Å; I182-Q260 HydrophobicContact CG1-CG 4.3Å |
| 183 | A | 92 | Very high | 92.9 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 12% | 0.116 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 156.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I177 L185 M259 | I177-A183 HydrophobicContact CG2-CB 3.93Å; A183-L185 HydrophobicContact CB-CD2 4.48Å; A183-M259 PolarHBondContact N-O 2.89Å; A183-M259 PolarHBondContact O-N 2.81Å |
| 184 | T | 90.7 | Very high | 93.1 | Very high | 40 Ų | 40 | 39.8 Ų | 39.8 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.3 | 169.2 | 56.3 | 0 | 0 | 0 | 0 | 108.5 | C257 | T184-C257 WeakPolarHBondContact CA-O 3.21Å |
| 185 | L | 91.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.6 | 175.4 | -48.5 | -176 | 0 | 0 | 0 | 108.2 | E175 I177 A183 R256 C257 M259 M269 C278 | E175-L185 HydrophobicContact CB-CD2 3.98Å; E175-L185 HydrophobicContact CG-CD2 3.81Å; I177-L185 HydrophobicContact CD1-CD1 4.31Å; I177-L185 HydrophobicContact CG1-CD1 3.98Å; I177-L185 HydrophobicContact CG1-CD2 4.27Å; A183-L185 HydrophobicContact CB-CD2 4.48Å; L185-R256 CarbonylContact O-C 3.52Å; L185-R256 VanDerWaalsContact O-CA 3.32Å; L185-R256 WeakPolarHBondContact O-CA 3.04Å; L185-C257 HydrophobicContact CB-CB 4.42Å; L185-C257 PolarHBondContact N-O 3Å; L185-C257 PolarHBondContact O-N 2.91Å; L185-M259 HydrophobicContact CD1-CG 3.67Å; L185-M259 HydrophobicContact CD1-SD 4.42Å; L185-M259 HydrophobicContact CG-CG 3.74Å; L185-M269 HydrophobicContact CD1-CE 4.18Å; L185-M269 HydrophobicContact CD1-SD 4.45Å; L185-C278 HydrophobicContact CB-CB 4.42Å; L185-C278 HydrophobicContact CD1-CB 4.01Å |
| 186 | D | 89.5 | Confident | 93.8 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.3 | -169.7 | -75.7 | -29.2 | 0 | 0 | 0 | 111.4 | A255 R256 F310 Y318 | D186-A255 WeakPolarHBondContact CA-O 3.39Å; D186-R256 WeakPolarHBondContact OD1-CB 3.41Å; D186-R256 WeakPolarHBondContact OD1-CD 3.3Å; D186-R256 WeakPolarHBondContact OD1-CG 3.27Å; D186-R256 IonicContact OD1-CZ 3.85Å; D186-R256 IonicContact OD1-NE 2.69Å; D186-R256 PolarHBondContact OD1-NE 2.55Å; D186-R256 IonicContact OD1-NH2 3.35Å; D186-R256 PolarHBondContact OD1-NH2 3.2Å; D186-R256 IonicContact OD2-CZ 3.99Å; D186-R256 IonicContact OD2-NE 3.46Å; D186-R256 PolarHBondContact OD2-NE 2.83Å; D186-R256 IonicContact OD2-NH2 2.73Å; D186-R256 PolarHBondContact OD2-NH2 3.21Å; D186-F310 HydrophobicContact CB-CZ 4.49Å; D186-Y318 HydrophobicContact CB-CD2 4.43Å; D186-Y318 HydrophobicContact CB-CE2 3.47Å; D186-Y318 VanDerWaalsContact CB-CE2 3.47Å; D186-Y318 WeakPolarHBondContact OD2-CE2 3.44Å; D186-Y318 VanDerWaalsContact OD2-CZ 3.27Å; D186-Y318 PolarHBondContact OD2-OH 2.92Å |
| 187 | V | 90.1 | Very high | 94 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.7 | 179.4 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | L171 V172 A254 A255 C302 M304 | L171-V187 HydrophobicContact CB-CB 4.24Å; L171-V187 HydrophobicContact CB-CG1 3.93Å; L171-V187 HydrophobicContact CD2-CB 4.4Å; L171-V187 HydrophobicContact CD2-CG1 4.18Å; V172-V187 VanDerWaalsContact C-CG2 3.46Å; V172-V187 WeakPolarHBondContact O-CG2 3.12Å; V187-A254 CarbonylContact O-C 3.58Å; V187-A254 WeakPolarHBondContact O-CA 3.38Å; V187-A255 PolarHBondContact N-O 3.43Å; V187-A255 PolarHBondContact O-N 3.46Å; V187-C302 HydrophobicContact CG1-CB 4.45Å; V187-C302 VanDerWaalsContact CG1-SG 3.56Å; V187-M304 HydrophobicContact CG1-CB 4.33Å; V187-M304 HydrophobicContact CG1-CG 4Å; V187-M304 HydrophobicContact CG1-SD 4.44Å |
| 188 | A | 90.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 136.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I252 I253 A254 C302 M304 F310 F314 | A188-I252 HydrophobicContact CB-CG2 3.92Å; A188-I253 VanDerWaalsContact CA-O 3.27Å; A188-I253 WeakPolarHBondContact CA-O 3.33Å; A188-A254 HydrophobicContact CB-CB 3.74Å; A188-C302 VanDerWaalsContact C-SG 3.51Å; A188-M304 PolarHBondContact N-SD 2.94Å; A188-F310 HydrophobicContact CB-CE1 4.07Å; A188-F314 HydrophobicContact CB-CD1 4.42Å |
| 189 | C | 90.7 | Very high | 94.3 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 147 | 172.9 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | I252 I253 C302 | C189-I252 WeakPolarHBondContact O-CA 3.42Å; C189-I253 PolarHBondContact N-O 3.26Å; C189-I253 PolarHBondContact O-N 2.83Å; C189-C302 HydrophobicContact CB-CB 3.68Å; C189-C302 WeakPolarHBondContact CB-SG 3.42Å; C189-C302 PolarHBondContact N-SG 3.39Å; C189-C302 VanDerWaalsContact N-SG 3.37Å; C189-C302 VanDerWaalsContact SG-CA 3.51Å; C189-C302 WeakPolarHBondContact SG-CB 3.45Å; C189-C302 CovalentContact SG-SG 2.02Å; C189-C302 PolarHBondContact SG-SG 2.92Å |
| 190 | S | 91.5 | Very high | 94.4 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.2 | 167.6 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | T192 | S190-T192 PolarHBondContact O-N 2.77Å |
| 191 | Y | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -72.7 | 123.1 | 171.8 | 175.5 | -110.9 | 0 | 0 | 0 | 110.2 | Y169 G193 A195 L197 I247 H248 Q250 S251 I253 Q293 N299 | Y169-Y191 HydrophobicContact CE2-CD2 4.34Å; Y191-G193 VanDerWaalsContact CE1-O 3.27Å; Y191-G193 WeakPolarHBondContact CE1-O 3.41Å; Y191-G193 VanDerWaalsContact CZ-CA 3.5Å; Y191-A195 WeakPolarHBondContact CE1-O 3.4Å; Y191-A195 PolarHBondContact OH-O 2.93Å; Y191-L197 HydrophobicContact CD2-CD1 4.07Å; Y191-L197 HydrophobicContact CE1-CG 4.19Å; Y191-L197 HydrophobicContact CE2-CD1 3.64Å; Y191-L197 HydrophobicContact CE2-CD2 4.15Å; Y191-L197 HydrophobicContact CE2-CG 3.95Å; Y191-L197 WeakPolarHBondContact OH-CD2 3.4Å; Y191-I247 HydrophobicContact CD1-CG2 3.99Å; Y191-I247 HydrophobicContact CG-CG2 4.07Å; Y191-H248 WeakPolarHBondContact CD1-O 3.35Å; Y191-Q250 PolarHBondContact O-N 3.23Å; Y191-S251 WeakPolarHBondContact CB-O 3.49Å; Y191-S251 PolarHBondContact N-O 3.43Å; Y191-I253 HydrophobicContact CD2-CD1 4.5Å; Y191-Q293 PolarHBondContact OH-OE1 2.89Å; Y191-N299 HydrophobicContact CD2-CB 4.12Å; Y191-N299 WeakPolarHBondContact CD2-OD1 3.33Å; Y191-N299 HydrophobicContact CE2-CB 3.88Å | ||
| 192 | T | 95.4 | Very high | 94.7 | Very high | 77 Ų | 77 | 27 Ų | 27 | 47% | 0.472 | 16% | 0.157 | S | C | . | . | trans | -104.7 | -10 | -174 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | S190 N299 | S190-T192 PolarHBondContact O-N 2.77Å; T192-N299 PolarHBondContact N-OD1 3.1Å; T192-N299 PolarHBondContact OG1-ND2 3.47Å; T192-N299 PolarHBondContact OG1-OD1 3.19Å | ||
| 193 | G | 95.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | trans | -63.7 | 151.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y191 K249 N299 | Y191-G193 VanDerWaalsContact CE1-O 3.27Å; Y191-G193 WeakPolarHBondContact CE1-O 3.41Å; Y191-G193 VanDerWaalsContact CZ-CA 3.5Å; G193-K249 VanDerWaalsContact O-CB 3.29Å; G193-K249 WeakPolarHBondContact O-CB 3.29Å; G193-K249 WeakPolarHBondContact O-CG 3.37Å; G193-N299 PolarHBondContact N-ND2 2.79Å | ||
| 194 | N | 96 | Very high | 95 | Very high | 131 Ų | 131 | 22.2 Ų | 22.2 | 70% | 0.701 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -85.5 | -24 | 179.5 | -68.8 | -36 | 0 | 0 | 0 | 112.8 | K249 | N194-K249 PolarHBondContact OD1-NZ 3.23Š|
| 195 | A | 97.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 5% | 0.05 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -75 | 142.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y191 V286 N290 Q293 | Y191-A195 WeakPolarHBondContact CE1-O 3.4Å; Y191-A195 PolarHBondContact OH-O 2.93Å; A195-V286 HydrophobicContact CB-CG1 4.31Å; A195-N290 HydrophobicContact CB-CB 3.7Å; A195-Q293 HydrophobicContact CB-CB 3.78Å; A195-Q293 HydrophobicContact CB-CG 3.91Å |
| 196 | T | 98 | Very high | 95.3 | Very high | 45 Ų | 45 | 20.7 Ų | 20.7 | 28% | 0.276 | 12% | 0.121 | S | C | . | . | P | Polyproline II helix | trans | -73.8 | 127.1 | 166.5 | -62.6 | 0 | 0 | 0 | 0 | 109 | E246 I247 H248 | T196-E246 HydrophobicContact CG2-CB 3.77Å; T196-E246 HydrophobicContact CG2-CG 4.12Å; T196-I247 WeakPolarHBondContact CA-O 3.19Å; T196-H248 PolarHBondContact OG1-ND1 3.49Å |
| 197 | L | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -91.3 | 143 | 172.5 | -42.1 | -177.6 | 0 | 0 | 0 | 109.8 | Y191 P199 E246 I247 Y284 V286 Q293 | Y191-L197 HydrophobicContact CD2-CD1 4.07Å; Y191-L197 HydrophobicContact CE1-CG 4.19Å; Y191-L197 HydrophobicContact CE2-CD1 3.64Å; Y191-L197 HydrophobicContact CE2-CD2 4.15Å; Y191-L197 HydrophobicContact CE2-CG 3.95Å; Y191-L197 WeakPolarHBondContact OH-CD2 3.4Å; L197-P199 WeakPolarHBondContact O-CD 3.33Å; L197-E246 CarbonylContact O-C 3.13Å; L197-E246 WeakPolarHBondContact O-CA 3.46Å; L197-I247 HydrophobicContact CB-CB 4.01Å; L197-I247 HydrophobicContact CB-CD1 4.44Å; L197-I247 HydrophobicContact CD1-CB 4.49Å; L197-I247 HydrophobicContact CD1-CD1 4.41Å; L197-I247 HydrophobicContact CG-CB 4.35Å; L197-I247 PolarHBondContact N-O 3.04Å; L197-I247 PolarHBondContact O-N 3.37Å; L197-Y284 HydrophobicContact CB-CD2 3.97Å; L197-Y284 HydrophobicContact CB-CG 4.08Å; L197-Y284 HydrophobicContact CD1-CD1 4.24Å; L197-Y284 HydrophobicContact CD1-CD2 4.26Å; L197-Y284 HydrophobicContact CD1-CE1 4.32Å; L197-Y284 HydrophobicContact CD1-CE2 4.35Å; L197-Y284 HydrophobicContact CD1-CG 4.2Å; L197-Y284 HydrophobicContact CD2-CD2 3.71Å; L197-Y284 HydrophobicContact CD2-CE2 3.61Å; L197-Y284 HydrophobicContact CD2-CG 4.45Å; L197-Y284 HydrophobicContact CG-CD2 4.21Å; L197-Y284 HydrophobicContact CG-CE2 4.43Å; L197-Y284 HydrophobicContact CG-CG 4.49Å; L197-V286 HydrophobicContact CD2-CG1 3.73Å; L197-Q293 HydrophobicContact CD2-CG 3.67Å |
| 198 | H | 98.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 23.2 Ų | 23.2 | 14% | 0.139 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 93.4 | 175.5 | -60.5 | -91.3 | 0 | 0 | 0 | 109.8 | F200 E246 Y284 W285 | H198-F200 PolarHBondContact O-N 3.04Å; H198-E246 IonicContact CE1-OE1 3.68Å; H198-E246 PolarHBondContact CE1-OE1 3.26Å; H198-E246 VanDerWaalsContact CE1-OE1 3.23Å; H198-E246 IonicContact ND1-OE1 2.71Å; H198-Y284 VanDerWaalsContact O-CA 3.3Å; H198-Y284 WeakPolarHBondContact O-CA 3.23Å; H198-W285 HydrophobicContact CB-CD2 3.64Å; H198-W285 HydrophobicContact CB-CE3 4.1Å; H198-W285 HydrophobicContact CB-CG 4.17Å; H198-W285 HydrophobicContact CB-CH2 3.83Å; H198-W285 HydrophobicContact CB-CZ2 3.35Å; H198-W285 HydrophobicContact CB-CZ3 4.19Å; H198-W285 AromaticContact CD2-CE3 3.65Å; H198-W285 AromaticContact CD2-CH2 3.25Å; H198-W285 WeakPolarHBondContact CD2-CH2 3.32Å; H198-W285 AromaticContact CD2-CZ2 3.78Å; H198-W285 AromaticContact CD2-CZ3 3.18Å; H198-W285 WeakPolarHBondContact CD2-CZ3 3.49Å; H198-W285 AromaticContact CE1-CH2 3.76Å; H198-W285 AromaticContact CG-CE2 3.74Å; H198-W285 AromaticContact CG-CH2 3.31Å; H198-W285 AromaticContact CG-CZ2 3.35Å; H198-W285 AromaticContact CG-CZ3 3.69Å; H198-W285 PolarHBondContact N-O 3.3Å; H198-W285 VanDerWaalsContact N-O 3.08Å; H198-W285 AromaticContact ND1-CH2 3.64Å; H198-W285 AromaticContact ND1-CZ2 3.75Å; H198-W285 AromaticContact NE2-CH2 3.53Å; H198-W285 AromaticContact NE2-CZ3 3.64Å; H198-W285 PolarHBondContact O-N 3.36Å |
| 199 | P | 98.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 134.4 | 175.5 | -25.5 | 36.1 | 0 | 0 | 0 | 111.5 | L197 V240 L245 I247 I282 M283 | L197-P199 WeakPolarHBondContact O-CD 3.33Å; P199-V240 HydrophobicContact CB-CG2 4.22Å; P199-L245 HydrophobicContact CB-CD2 4.42Å; P199-L245 WeakPolarHBondContact CD-O 3.46Å; P199-L245 HydrophobicContact CG-CD2 4.3Å; P199-L245 HydrophobicContact CG-CG 4.38Å; P199-I247 HydrophobicContact CG-CD1 3.54Å; P199-I247 HydrophobicContact CG-CG1 3.84Å; P199-I282 HydrophobicContact CB-CG2 3.8Å; P199-I282 HydrophobicContact CG-CG2 4.11Å; P199-M283 WeakPolarHBondContact CA-O 3.28Å |
| 200 | F | 98.2 | Very high | 96 | Very high | 23 Ų | 23 | 23 Ų | 23 | 10% | 0.101 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | -23.6 | 178.5 | 69.7 | -92.3 | 0 | 0 | 0 | 113.5 | F114 M116 P117 V120 A166 H198 V240 M283 Y284 W285 | F114-F200 HydrophobicContact CZ-CE2 4.25Å; M116-F200 HydrophobicContact CE-CE1 4.41Å; M116-F200 HydrophobicContact CE-CE2 4.01Å; M116-F200 HydrophobicContact CE-CZ 3.46Å; M116-F200 VanDerWaalsContact CE-CZ 3.46Å; M116-F200 HydrophobicContact SD-CE2 4.32Å; M116-F200 HydrophobicContact SD-CZ 4.26Å; P117-F200 HydrophobicContact CG-CB 4.45Å; P117-F200 HydrophobicContact CG-CD2 3.51Å; P117-F200 HydrophobicContact CG-CE2 4Å; P117-F200 HydrophobicContact CG-CG 4.15Å; V120-F200 HydrophobicContact CG1-CE1 4.08Å; V120-F200 HydrophobicContact CG1-CZ 4.17Å; A166-F200 HydrophobicContact CB-CE1 4.3Å; A166-F200 HydrophobicContact CB-CZ 4.33Å; H198-F200 PolarHBondContact O-N 3.04Å; F200-V240 PolarHBondContact O-N 2.63Å; F200-M283 HydrophobicContact CD1-CB 4.4Å; F200-M283 WeakPolarHBondContact CD1-O 3.45Å; F200-M283 HydrophobicContact CE1-CB 3.82Å; F200-M283 HydrophobicContact CE2-CB 3.95Å; F200-M283 HydrophobicContact CE2-SD 4.13Å; F200-M283 HydrophobicContact CZ-CB 3.57Å; F200-M283 HydrophobicContact CZ-CG 4.12Å; F200-M283 HydrophobicContact CZ-SD 4.05Å; F200-M283 PolarHBondContact N-O 2.93Å; F200-Y284 VanDerWaalsContact CE1-C 3.45Å; F200-Y284 WeakPolarHBondContact CE1-O 3.43Å; F200-W285 HydrophobicContact CD1-CB 4.41Å; F200-W285 AromaticContact CD1-CD1 3.64Å; F200-W285 HydrophobicContact CD1-CG 4.43Å; F200-W285 HydrophobicContact CE1-CB 4.41Å |
| 201 | A | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F114 F237 Y238 M283 | F114-A201 HydrophobicContact CE2-CB 4.28Å; F114-A201 HydrophobicContact CZ-CB 3.95Å; A201-F237 HydrophobicContact CB-CB 4Å; A201-F237 HydrophobicContact CB-CD1 4.25Å; A201-Y238 CarbonylContact C-O 3.58Å; A201-Y238 WeakPolarHBondContact CA-O 3.24Å; A201-Y238 WeakPolarHBondContact CB-O 3.17Å; A201-M283 HydrophobicContact CB-CB 4.04Å; A201-M283 HydrophobicContact CB-SD 4.41Å; A201-M283 PolarHBondContact N-O 2.98Å; A201-M283 PolarHBondContact O-N 2.87Å |
| 202 | F | 98 | Very high | 96.2 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 5% | 0.048 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 149 | 177.7 | 71.8 | -81.4 | 0 | 0 | 0 | 111.3 | V204 I226 G227 K229 F237 Y238 V240 F280 Y281 | F202-V204 HydrophobicContact CD2-CG1 4.29Å; F202-V204 HydrophobicContact CE2-CG1 4.37Å; F202-I226 HydrophobicContact CB-CG2 4.06Å; F202-G227 VanDerWaalsContact CE1-CA 3.46Å; F202-G227 VanDerWaalsContact CZ-CA 3.42Å; F202-K229 HydrophobicContact CE2-CB 4.03Å; F202-F237 CarbonylContact O-C 3.59Å; F202-F237 WeakPolarHBondContact O-CA 3.48Å; F202-Y238 VanDerWaalsContact CD1-O 3.3Å; F202-Y238 WeakPolarHBondContact CD1-O 3.43Å; F202-Y238 PolarHBondContact N-O 2.95Å; F202-Y238 PolarHBondContact O-N 3.21Å; F202-V240 HydrophobicContact CD1-CG2 4.09Å; F202-F280 HydrophobicContact CB-CE1 3.87Å; F202-F280 HydrophobicContact CB-CZ 3.8Å; F202-F280 HydrophobicContact CD2-CE1 4.45Å; F202-F280 AromaticContact CD2-CE2 3.94Å; F202-F280 HydrophobicContact CD2-CE2 3.94Å; F202-F280 AromaticContact CD2-CZ 3.59Å; F202-F280 HydrophobicContact CD2-CZ 3.59Å; F202-F280 HydrophobicContact CE2-CZ 4.48Å; F202-F280 HydrophobicContact CG-CE1 4.49Å; F202-F280 AromaticContact CG-CZ 3.92Å; F202-F280 HydrophobicContact CG-CZ 3.92Å; F202-Y281 CarbonylContact C-O 3.51Å; F202-Y281 WeakPolarHBondContact CA-O 3.28Å; F202-Y281 WeakPolarHBondContact CB-O 2.75Å |
| 203 | R | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.3 | 173.1 | 173.2 | 179.5 | 177.4 | -86.9 | -4.8 | 108.9 | S106 Q235 T236 F237 Y281 | S106-R203 PolarHBondContact OG-NE 3.28Å; S106-R203 PolarHBondContact OG-NH1 3.29Å; R203-Q235 PolarHBondContact NE-O 2.99Å; R203-Q235 VanDerWaalsContact NE-O 3.12Å; R203-T236 WeakPolarHBondContact CB-O 3.34Å; R203-F237 HydrophobicContact CB-CD1 3.82Å; R203-F237 HydrophobicContact CB-CD2 4.1Å; R203-F237 HydrophobicContact CB-CE1 3.75Å; R203-F237 HydrophobicContact CB-CE2 4.03Å; R203-F237 HydrophobicContact CB-CG 4Å; R203-F237 HydrophobicContact CB-CZ 3.86Å; R203-Y281 HydrophobicContact CB-CD2 4.13Å; R203-Y281 HydrophobicContact CG-CD2 4.1Å; R203-Y281 PolarHBondContact N-O 2.95Å; R203-Y281 PolarHBondContact O-N 1.98Å |
| 204 | V | 96.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149.1 | 172.5 | -59 | 0 | 0 | 0 | 0 | 108.9 | F202 K229 P231 Q235 F280 | F202-V204 HydrophobicContact CD2-CG1 4.29Å; F202-V204 HydrophobicContact CE2-CG1 4.37Å; V204-K229 HydrophobicContact CG1-CB 4.26Å; V204-K229 HydrophobicContact CG2-CB 3.89Å; V204-K229 HydrophobicContact CG2-CG 4.47Å; V204-P231 HydrophobicContact CG2-CB 4.1Å; V204-Q235 WeakPolarHBondContact O-CG 3.46Å; V204-F280 HydrophobicContact CG1-CD2 3.77Å; V204-F280 HydrophobicContact CG1-CE2 3.73Å |
| 205 | H | 94.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.032 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 131.3 | 173.2 | 176.2 | 66.7 | 0 | 0 | 0 | 111.3 | H207 Q235 M277 N279 Y281 | H205-H207 AromaticContact CE1-CD2 3.97Å; H205-H207 AromaticContact NE2-CD2 3.88Å; H205-H207 AromaticContact NE2-NE2 3.9Å; H205-Q235 PolarHBondContact ND1-OE1 2.87Å; H205-M277 VanDerWaalsContact CD2-SD 3.59Å; H205-M277 PolarHBondContact NE2-SD 2.96Å; H205-N279 HydrophobicContact CB-CB 4.25Å; H205-N279 PolarHBondContact N-O 3.46Å; H205-N279 PolarHBondContact O-N 3.01Å; H205-Y281 HydrophobicContact CB-CE2 4.04Å |
| 206 | T | 94.1 | Very high | 96 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | trans | -146.6 | 167 | 167.5 | 75.3 | 0 | 0 | 0 | 0 | 106.3 | G210 P231 Q235 M259 E276 M277 | T206-G210 VanDerWaalsContact OG1-CA 3.31Å; T206-G210 WeakPolarHBondContact OG1-CA 3.26Å; T206-P231 HydrophobicContact CG2-CB 3.77Å; T206-P231 HydrophobicContact CG2-CG 3.62Å; T206-P231 WeakPolarHBondContact OG1-CB 3.42Å; T206-P231 WeakPolarHBondContact OG1-CG 3.5Å; T206-Q235 PolarHBondContact O-NE2 2.92Å; T206-Q235 VanDerWaalsContact O-NE2 3.09Å; T206-M259 HydrophobicContact CG2-CE 4.13Å; T206-M259 HydrophobicContact CG2-SD 4.18Å; T206-E276 WeakPolarHBondContact CA-OE1 3.39Å; T206-E276 WeakPolarHBondContact CB-OE1 3.38Å; T206-M277 WeakPolarHBondContact CA-O 3.36Å; T206-M277 VanDerWaalsContact CB-O 3.28Å; T206-M277 WeakPolarHBondContact CB-O 3.34Å; T206-M277 VanDerWaalsContact CG2-O 3.29Å; T206-M277 WeakPolarHBondContact CG2-O 3.37Å | ||
| 207 | H | 91 | Very high | 95.8 | Very high | 22 Ų | 22 | 13.7 Ų | 13.7 | 10% | 0.102 | 8% | 0.078 | C | C | . | . | trans | -83.6 | -149.5 | 159.8 | -48.9 | 163.7 | 0 | 0 | 0 | 109.8 | H205 H209 Q232 G270 T272 D275 E276 | H205-H207 AromaticContact CE1-CD2 3.97Å; H205-H207 AromaticContact NE2-CD2 3.88Å; H205-H207 AromaticContact NE2-NE2 3.9Å; H207-H209 VanDerWaalsContact C-N 3.31Å; H207-H209 PolarHBondContact O-N 3.22Å; H207-Q232 PolarHBondContact O-NE2 3.39Å; H207-G270 PolarHBondContact CE1-O 3.03Å; H207-G270 VanDerWaalsContact CE1-O 3.29Å; H207-T272 PolarHBondContact CE1-O 2.98Å; H207-T272 PolarHBondContact ND1-O 2.86Å; H207-D275 PolarHBondContact ND1-O 3.29Å; H207-E276 VanDerWaalsContact C-OE2 3.31Å; H207-E276 WeakPolarHBondContact CA-OE1 3.4Å; H207-E276 WeakPolarHBondContact CB-OE2 3.48Å; H207-E276 PolarHBondContact N-OE1 2.76Å | ||
| 208 | G | 92.3 | Very high | 95.4 | Very high | 41 Ų | 41 | 14.1 Ų | 14.1 | 42% | 0.423 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | E276 | G208-E276 PolarHBondContact N-OE2 3.22Š|
| 209 | H | 95.7 | Very high | 94.9 | Very high | 30 Ų | 30 | 15.7 Ų | 15.7 | 14% | 0.139 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10.1 | -175.5 | -60.1 | 89.1 | 0 | 0 | 0 | 113.8 | I177 H207 M259 Q260 E263 E276 | I177-H209 HydrophobicContact CD1-CB 4.36Å; H207-H209 VanDerWaalsContact C-N 3.31Å; H207-H209 PolarHBondContact O-N 3.22Å; H209-M259 HydrophobicContact CB-CE 4.23Å; H209-M259 CarbonylContact O-C 3.55Å; H209-M259 VanDerWaalsContact O-CA 3.32Å; H209-M259 WeakPolarHBondContact O-CA 3.33Å; H209-Q260 PolarHBondContact CD2-O 2.69Å; H209-Q260 VanDerWaalsContact CD2-O 3.29Å; H209-Q260 PolarHBondContact O-N 3.2Å; H209-E263 IonicContact CE1-OE1 2.91Å; H209-E263 IonicContact NE2-OE1 2.64Å; H209-E276 HydrophobicContact CB-CG 4.18Å; H209-E276 WeakPolarHBondContact CB-OE2 3.36Å; H209-E276 IonicContact CG-OE2 2.6Å; H209-E276 PolarHBondContact N-OE2 2.67Å; H209-E276 IonicContact ND1-OE2 3.27Å; H209-E276 PolarHBondContact ND1-OE2 3.06Å; H209-E276 VanDerWaalsContact ND1-OE2 3.16Å |
| 210 | G | 95.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 126.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | T206 P231 Q232 | T206-G210 VanDerWaalsContact OG1-CA 3.31Å; T206-G210 WeakPolarHBondContact OG1-CA 3.26Å; G210-P231 WeakPolarHBondContact O-CG 3.29Å; G210-Q232 WeakPolarHBondContact O-CG 3.31Å; G210-Q232 PolarHBondContact O-NE2 2.74Å |
| 211 | V | 96 | Very high | 93.4 | Very high | 30 Ų | 30 | 28.8 Ų | 28.8 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -49.8 | 178.9 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | S230 I258 Q260 | V211-S230 WeakPolarHBondContact O-CA 3.49Å; V211-S230 WeakPolarHBondContact O-CB 3.35Å; V211-S230 PolarHBondContact O-OG 2.88Å; V211-I258 HydrophobicContact CB-CG2 4.39Å; V211-I258 WeakPolarHBondContact CB-O 3.33Å; V211-I258 PolarHBondContact N-O 2.81Å; V211-Q260 HydrophobicContact CG2-CB 3.67Å |
| 212 | L | 95.8 | Very high | 92.8 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 132.6 | -173.3 | -177 | 66.5 | 0 | 0 | 0 | 110.8 | K214 I258 | L212-K214 HydrophobicContact CG-CG 4.37Å; L212-I258 HydrophobicContact CB-CB 4.35Å; L212-I258 HydrophobicContact CB-CD1 4.07Å; L212-I258 HydrophobicContact CB-CG1 4.45Å; L212-I258 HydrophobicContact CD2-CD1 3.99Å; L212-I258 HydrophobicContact CG-CD1 4.39Å; L212-I258 PolarHBondContact N-O 2.84Å; L212-I258 WeakPolarHBondContact O-CB 3.41Å; L212-I258 PolarHBondContact O-N 3.34Å |
| 213 | S | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.6 | 174 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | S228 K229 R256 C257 | S213-S228 WeakPolarHBondContact O-CA 3.34Å; S213-K229 PolarHBondContact N-O 3.19Å; S213-K229 PolarHBondContact O-N 3.32Å; S213-R256 CarbonylContact C-O 3.43Å; S213-R256 VanDerWaalsContact CA-O 3.31Å; S213-R256 WeakPolarHBondContact CA-O 3.22Å; S213-C257 PolarHBondContact OG-SG 3.13Å |
| 214 | K | 95.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.5 | -179.8 | -58.2 | -169.6 | -177 | 175.3 | 0 | 110.6 | L212 Y216 L225 G227 S228 A255 R256 F330 | L212-K214 HydrophobicContact CG-CG 4.37Å; K214-Y216 HydrophobicContact CB-CD2 4.5Å; K214-Y216 HydrophobicContact CB-CE2 3.54Å; K214-Y216 WeakPolarHBondContact CD-OH 3.39Å; K214-L225 HydrophobicContact CB-CD1 4.49Å; K214-G227 WeakPolarHBondContact CA-O 3.24Å; K214-S228 WeakPolarHBondContact CE-OG 3.39Å; K214-S228 WeakPolarHBondContact CG-OG 3.37Å; K214-A255 CarbonylContact O-C 3.52Å; K214-A255 WeakPolarHBondContact O-CA 3.23Å; K214-R256 PolarHBondContact N-O 3.28Å; K214-R256 PolarHBondContact O-N 2.92Å; K214-F330 HydrophobicContact CD-CE2 3.61Å; K214-F330 HydrophobicContact CD-CZ 4.04Å |
| 215 | G | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I226 G227 A254 F280 | G215-I226 PolarHBondContact O-N 2.93Å; G215-G227 PolarHBondContact N-O 3.34Å; G215-G227 PolarHBondContact O-N 3.05Å; G215-A254 CarbonylContact C-O 3.54Å; G215-A254 WeakPolarHBondContact CA-O 3.32Å; G215-F280 VanDerWaalsContact CA-CZ 3.46Å |
| 216 | Y | 94.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.9 | -172.2 | -59.3 | -85.7 | 0 | 0 | 0 | 111.8 | K214 Y224 L225 A254 F327 | K214-Y216 HydrophobicContact CB-CD2 4.5Å; K214-Y216 HydrophobicContact CB-CE2 3.54Å; K214-Y216 WeakPolarHBondContact CD-OH 3.39Å; Y216-Y224 CarbonylContact C-O 3.51Å; Y216-Y224 VanDerWaalsContact CA-O 3.26Å; Y216-Y224 WeakPolarHBondContact CA-O 3.45Å; Y216-L225 HydrophobicContact CD1-CB 4.39Å; Y216-L225 HydrophobicContact CD1-CD1 3.99Å; Y216-L225 HydrophobicContact CE1-CB 4.27Å; Y216-L225 HydrophobicContact CE1-CD1 3.42Å; Y216-L225 VanDerWaalsContact CE1-CD1 3.42Å; Y216-L225 HydrophobicContact CE1-CG 4.46Å; Y216-A254 PolarHBondContact N-O 2.65Å; Y216-A254 PolarHBondContact O-N 3.11Å; Y216-F327 AromaticContact CD1-CE1 3.76Å; Y216-F327 HydrophobicContact CD1-CE1 3.76Å; Y216-F327 HydrophobicContact CD1-CZ 4.49Å; Y216-F327 HydrophobicContact CD2-CE1 4.15Å; Y216-F327 HydrophobicContact CD2-CZ 4.11Å; Y216-F327 AromaticContact CE1-CD1 3.72Å; Y216-F327 HydrophobicContact CE1-CD1 3.72Å; Y216-F327 AromaticContact CE1-CE1 3.2Å; Y216-F327 HydrophobicContact CE1-CE1 3.2Å; Y216-F327 HydrophobicContact CE1-CZ 4.09Å; Y216-F327 HydrophobicContact CE2-CD1 4.49Å; Y216-F327 AromaticContact CE2-CE1 3.65Å; Y216-F327 HydrophobicContact CE2-CE1 3.65Å; Y216-F327 AromaticContact CE2-CZ 3.67Å; Y216-F327 HydrophobicContact CE2-CZ 3.67Å; Y216-F327 HydrophobicContact CG-CE1 4.19Å; Y216-F327 HydrophobicContact CG-CZ 4.49Å; Y216-F327 AromaticContact CZ-CD1 3.64Å; Y216-F327 AromaticContact CZ-CE1 3.13Å; Y216-F327 AromaticContact CZ-CZ 3.64Å; Y216-F327 WeakPolarHBondContact OH-CD1 3.25Å; Y216-F327 WeakPolarHBondContact OH-CE1 3.45Å |
| 217 | V | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.3 | 161.9 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | S223 Y224 I226 L245 I247 I252 | V217-S223 CarbonylContact O-C 3.58Å; V217-S223 WeakPolarHBondContact O-CA 2.9Å; V217-Y224 PolarHBondContact N-O 2.85Å; V217-Y224 PolarHBondContact O-N 3.06Å; V217-I226 HydrophobicContact CG2-CD1 3.65Å; V217-I226 HydrophobicContact CG2-CG1 3.7Å; V217-L245 HydrophobicContact CB-CD1 4.37Å; V217-L245 HydrophobicContact CG2-CD1 4.29Å; V217-L245 HydrophobicContact CG2-CD2 4.12Å; V217-L245 HydrophobicContact CG2-CG 4.4Å; V217-I247 HydrophobicContact CB-CG1 4.42Å; V217-I247 HydrophobicContact CG1-CB 4.49Å; V217-I247 HydrophobicContact CG1-CG1 3.96Å; V217-I247 HydrophobicContact CG1-CG2 4.46Å; V217-I247 HydrophobicContact CG2-CD1 3.8Å; V217-I247 HydrophobicContact CG2-CG1 3.54Å; V217-I252 CarbonylContact C-O 3.56Å; V217-I252 WeakPolarHBondContact CA-O 3.47Å |
| 218 | V | 89.7 | Confident | 92.5 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.4 | 169.6 | -171 | 0 | 0 | 0 | 0 | 108.8 | K222 S251 I252 L317 | V218-K222 CarbonylContact C-O 3.56Å; V218-K222 WeakPolarHBondContact CA-O 3.38Å; V218-K222 WeakPolarHBondContact CG1-O 3.48Å; V218-S251 CarbonylContact O-C 3.59Å; V218-S251 WeakPolarHBondContact O-CA 3.31Å; V218-I252 HydrophobicContact CB-CB 4.24Å; V218-I252 PolarHBondContact N-O 3.16Å; V218-I252 PolarHBondContact O-N 3.08Å; V218-L317 HydrophobicContact CB-CD1 4.21Å; V218-L317 HydrophobicContact CG1-CD1 3.74Å; V218-L317 HydrophobicContact CG2-CD1 4.16Å |
| 219 | D | 87.7 | Confident | 92.7 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 104.7 | 176.7 | -173.8 | 20.8 | 0 | 0 | 0 | 109.3 | R221 K222 Y224 H248 | D219-R221 PolarHBondContact O-N 3.01Å; D219-R221 VanDerWaalsContact O-N 3.09Å; D219-K222 PolarHBondContact N-O 3.5Å; D219-K222 PolarHBondContact O-N 2.97Å; D219-Y224 HydrophobicContact CB-CE2 4.46Å; D219-H248 IonicContact OD2-CD2 3.43Å |
| 220 | G | 84.7 | Confident | 92.7 | Very high | 65 Ų | 65 | 46 Ų | 46 | 67% | 0.67 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -109.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 221 | R | 80 | Confident | 92.6 | Very high | 237 Ų | 237 | 45.9 Ų | 45.9 | 89% | 0.894 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -1 | 179.6 | -60 | -172.2 | -168.8 | -178.6 | 2.4 | 114 | D219 | D219-R221 PolarHBondContact O-N 3.01Å; D219-R221 VanDerWaalsContact O-N 3.09Å |
| 222 | K | 86 | Confident | 92.5 | Very high | 135 Ų | 135 | 46.3 Ų | 46.3 | 59% | 0.587 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.2 | -177.6 | -64.2 | -176.5 | -178 | 175.7 | 0 | 109.2 | V218 D219 Y224 | V218-K222 CarbonylContact C-O 3.56Å; V218-K222 WeakPolarHBondContact CA-O 3.38Å; V218-K222 WeakPolarHBondContact CG1-O 3.48Å; D219-K222 PolarHBondContact N-O 3.5Å; D219-K222 PolarHBondContact O-N 2.97Å; K222-Y224 HydrophobicContact CB-CE2 3.87Å; K222-Y224 WeakPolarHBondContact CD-OH 3.42Å |
| 223 | S | 87.2 | Confident | 92.4 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141 | 172.4 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | V217 F326 | V217-S223 CarbonylContact O-C 3.58Å; V217-S223 WeakPolarHBondContact O-CA 2.9Å; S223-F326 WeakPolarHBondContact OG-CD1 3.3Å; S223-F326 VanDerWaalsContact OG-CE1 3.32Å; S223-F326 WeakPolarHBondContact OG-CE1 3.15Å |
| 224 | Y | 92.7 | Very high | 92.2 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.1 | 176.7 | -53.2 | -83.7 | 0 | 0 | 0 | 109.6 | Y216 V217 D219 K222 L245 | Y216-Y224 CarbonylContact C-O 3.51Å; Y216-Y224 VanDerWaalsContact CA-O 3.26Å; Y216-Y224 WeakPolarHBondContact CA-O 3.45Å; V217-Y224 PolarHBondContact N-O 2.85Å; V217-Y224 PolarHBondContact O-N 3.06Å; D219-Y224 HydrophobicContact CB-CE2 4.46Å; K222-Y224 HydrophobicContact CB-CE2 3.87Å; K222-Y224 WeakPolarHBondContact CD-OH 3.42Å; Y224-L245 VanDerWaalsContact CB-CD1 3.49Å; Y224-L245 HydrophobicContact CD2-CD1 4.11Å; Y224-L245 HydrophobicContact CG-CD1 3.87Å |
| 225 | L | 94.3 | Very high | 91.9 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 42% | 0.424 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.7 | 174 | -176.7 | 73 | 0 | 0 | 0 | 109.4 | K214 Y216 G227 | K214-L225 HydrophobicContact CB-CD1 4.49Å; Y216-L225 HydrophobicContact CD1-CB 4.39Å; Y216-L225 HydrophobicContact CD1-CD1 3.99Å; Y216-L225 HydrophobicContact CE1-CB 4.27Å; Y216-L225 HydrophobicContact CE1-CD1 3.42Å; Y216-L225 VanDerWaalsContact CE1-CD1 3.42Å; Y216-L225 HydrophobicContact CE1-CG 4.46Å; L225-G227 WeakPolarHBondContact CD1-O 3.41Å |
| 226 | I | 97.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -51.2 | 166.8 | -62.7 | 167.6 | 0 | 0 | 0 | 108.7 | F202 G215 V217 V240 L245 I253 F280 I282 | F202-I226 HydrophobicContact CB-CG2 4.06Å; G215-I226 PolarHBondContact O-N 2.93Å; V217-I226 HydrophobicContact CG2-CD1 3.65Å; V217-I226 HydrophobicContact CG2-CG1 3.7Å; I226-V240 HydrophobicContact CG2-CG2 3.69Å; I226-L245 HydrophobicContact CB-CD2 4.46Å; I226-L245 HydrophobicContact CG1-CD2 3.78Å; I226-I253 HydrophobicContact CD1-CG2 4.47Å; I226-F280 HydrophobicContact CG2-CE1 4.17Å; I226-F280 HydrophobicContact CG2-CZ 4.36Å; I226-I282 HydrophobicContact CD1-CD1 3.49Å; I226-I282 VanDerWaalsContact CD1-CD1 3.49Å; I226-I282 HydrophobicContact CD1-CG1 4Å; I226-I282 HydrophobicContact CG2-CG1 4.42Å; I226-I282 HydrophobicContact CG2-CG2 4.44Å |
| 227 | G | 96.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 158.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F202 K214 G215 L225 | F202-G227 VanDerWaalsContact CE1-CA 3.46Å; F202-G227 VanDerWaalsContact CZ-CA 3.42Å; K214-G227 WeakPolarHBondContact CA-O 3.24Å; G215-G227 PolarHBondContact N-O 3.34Å; G215-G227 PolarHBondContact O-N 3.05Å; L225-G227 WeakPolarHBondContact CD1-O 3.41Å |
| 228 | S | 95.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 124.2 | 177.1 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | S213 K214 | S213-S228 WeakPolarHBondContact O-CA 3.34Å; K214-S228 WeakPolarHBondContact CE-OG 3.39Å; K214-S228 WeakPolarHBondContact CG-OG 3.37Å |
| 229 | K | 95.8 | Very high | 92.3 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 144.9 | 178.7 | -155.4 | 79.4 | -171.5 | -179 | 0 | 111.4 | F202 V204 S213 V233 Y238 | F202-K229 HydrophobicContact CE2-CB 4.03Å; V204-K229 HydrophobicContact CG1-CB 4.26Å; V204-K229 HydrophobicContact CG2-CB 3.89Å; V204-K229 HydrophobicContact CG2-CG 4.47Å; S213-K229 PolarHBondContact N-O 3.19Å; S213-K229 PolarHBondContact O-N 3.32Å; K229-V233 HydrophobicContact CD-CG2 4.32Å; K229-V233 VanDerWaalsContact CE-CG2 3.47Å; K229-V233 HydrophobicContact CG-CG2 3.84Å; K229-Y238 HydrophobicContact CD-CD1 4.49Å; K229-Y238 HydrophobicContact CD-CD2 4.03Å; K229-Y238 HydrophobicContact CD-CE1 4.34Å; K229-Y238 HydrophobicContact CD-CE2 3.83Å; K229-Y238 HydrophobicContact CD-CG 4.33Å; K229-Y238 VanDerWaalsContact CE-CZ 3.47Å; K229-Y238 WeakPolarHBondContact CE-OH 3.17Å; K229-Y238 HydrophobicContact CG-CD2 3.98Å; K229-Y238 HydrophobicContact CG-CE2 3.61Å |
| 230 | S | 96.3 | Very high | 92.8 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | trans | -67.2 | 134.1 | 164.8 | 179 | 0 | 0 | 0 | 0 | 108.8 | V211 Q232 V233 | V211-S230 WeakPolarHBondContact O-CA 3.49Å; V211-S230 WeakPolarHBondContact O-CB 3.35Å; V211-S230 PolarHBondContact O-OG 2.88Å; S230-Q232 PolarHBondContact O-N 3.09Å; S230-Q232 PolarHBondContact OG-N 2.78Å; S230-V233 VanDerWaalsContact O-CG2 3.27Å; S230-V233 WeakPolarHBondContact O-CG2 3.34Å | ||
| 231 | P | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.5 | 174.1 | 33 | -35.6 | 0 | 0 | 0 | 112.9 | M109 V204 T206 G210 V233 Q235 | M109-P231 WeakPolarHBondContact CE-O 2.89Å; V204-P231 HydrophobicContact CG2-CB 4.1Å; T206-P231 HydrophobicContact CG2-CB 3.77Å; T206-P231 HydrophobicContact CG2-CG 3.62Å; T206-P231 WeakPolarHBondContact OG1-CB 3.42Å; T206-P231 WeakPolarHBondContact OG1-CG 3.5Å; G210-P231 WeakPolarHBondContact O-CG 3.29Å; P231-V233 VanDerWaalsContact C-N 3.34Å; P231-Q235 WeakPolarHBondContact O-CG 3.28Å; P231-Q235 PolarHBondContact O-NE2 2.79Å |
| 232 | Q | 93.4 | Very high | 94.1 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -4.7 | 177.1 | -53.3 | -51.2 | -37.7 | 0 | 0 | 113.7 | H207 G210 S230 | H207-Q232 PolarHBondContact O-NE2 3.39Å; G210-Q232 WeakPolarHBondContact O-CG 3.31Å; G210-Q232 PolarHBondContact O-NE2 2.74Å; S230-Q232 PolarHBondContact O-N 3.09Å; S230-Q232 PolarHBondContact OG-N 2.78Å |
| 233 | V | 92.5 | Very high | 94.5 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -99.6 | 164.7 | 170.1 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | M109 K229 S230 P231 Q235 Y238 | M109-V233 WeakPolarHBondContact CE-O 3.31Å; K229-V233 HydrophobicContact CD-CG2 4.32Å; K229-V233 VanDerWaalsContact CE-CG2 3.47Å; K229-V233 HydrophobicContact CG-CG2 3.84Å; S230-V233 VanDerWaalsContact O-CG2 3.27Å; S230-V233 WeakPolarHBondContact O-CG2 3.34Å; P231-V233 VanDerWaalsContact C-N 3.34Å; V233-Q235 PolarHBondContact O-N 3.34Å; V233-Y238 WeakPolarHBondContact CG2-OH 3.46Å |
| 234 | H | 91.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | trans | -29.6 | 107.3 | 178.3 | -67.9 | 178.7 | 0 | 0 | 0 | 113.7 | M109 A111 T236 Y238 | M109-H234 PolarHBondContact O-CD2 3.26Å; A111-H234 HydrophobicContact CB-CB 3.97Å; H234-T236 VanDerWaalsContact C-N 3.31Å; H234-T236 PolarHBondContact O-N 2.72Å; H234-Y238 WeakPolarHBondContact O-CE2 3.24Å; H234-Y238 PolarHBondContact O-OH 3.45Å | ||
| 235 | Q | 89.8 | Confident | 95.1 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | trans | -83.6 | 78.5 | -173.4 | -86.5 | 174.2 | 22.9 | 0 | 0 | 110.8 | A108 M109 R203 V204 H205 T206 P231 V233 | A108-Q235 HydrophobicContact CB-CB 3.8Å; A108-Q235 PolarHBondContact N-O 3.12Å; M109-Q235 HydrophobicContact CE-CB 3.85Å; M109-Q235 HydrophobicContact CE-CG 3.39Å; R203-Q235 PolarHBondContact NE-O 2.99Å; R203-Q235 VanDerWaalsContact NE-O 3.12Å; V204-Q235 WeakPolarHBondContact O-CG 3.46Å; H205-Q235 PolarHBondContact ND1-OE1 2.87Å; T206-Q235 PolarHBondContact O-NE2 2.92Å; T206-Q235 VanDerWaalsContact O-NE2 3.09Å; P231-Q235 WeakPolarHBondContact O-CG 3.28Å; P231-Q235 PolarHBondContact O-NE2 2.79Å; V233-Q235 PolarHBondContact O-N 3.34Å | ||
| 236 | T | 92 | Very high | 95.3 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -122.7 | 178.6 | 177 | -169 | 0 | 0 | 0 | 0 | 111.6 | A111 R203 H234 Y238 | A111-T236 HydrophobicContact CB-CG2 4.08Å; R203-T236 WeakPolarHBondContact CB-O 3.34Å; H234-T236 VanDerWaalsContact C-N 3.31Å; H234-T236 PolarHBondContact O-N 2.72Å; T236-Y238 HydrophobicContact CG2-CE1 4.21Å; T236-Y238 HydrophobicContact CG2-CE2 4.22Å; T236-Y238 WeakPolarHBondContact O-CD2 3.35Å; T236-Y238 PolarHBondContact O-N 3.3Å |
| 237 | F | 96.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -78.9 | 111.4 | 171.1 | -77.1 | -86.1 | 0 | 0 | 0 | 110.5 | Y105 F114 A201 F202 R203 M283 | Y105-F237 HydrophobicContact CD2-CD2 4.2Å; Y105-F237 HydrophobicContact CD2-CE2 4.44Å; Y105-F237 HydrophobicContact CE2-CD2 4.2Å; F114-F237 HydrophobicContact CD2-CB 3.93Å; F114-F237 HydrophobicContact CE1-CB 4.38Å; F114-F237 HydrophobicContact CE2-CB 3.54Å; F114-F237 WeakPolarHBondContact CE2-O 3.44Å; F114-F237 HydrophobicContact CZ-CB 3.8Å; A201-F237 HydrophobicContact CB-CB 4Å; A201-F237 HydrophobicContact CB-CD1 4.25Å; F202-F237 CarbonylContact O-C 3.59Å; F202-F237 WeakPolarHBondContact O-CA 3.48Å; R203-F237 HydrophobicContact CB-CD1 3.82Å; R203-F237 HydrophobicContact CB-CD2 4.1Å; R203-F237 HydrophobicContact CB-CE1 3.75Å; R203-F237 HydrophobicContact CB-CE2 4.03Å; R203-F237 HydrophobicContact CB-CG 4Å; R203-F237 HydrophobicContact CB-CZ 3.86Å; F237-M283 HydrophobicContact CB-SD 4.16Å; F237-M283 HydrophobicContact CD1-CB 4.05Å; F237-M283 HydrophobicContact CD1-CE 3.94Å; F237-M283 HydrophobicContact CD1-CG 3.64Å; F237-M283 HydrophobicContact CD1-SD 3.53Å; F237-M283 VanDerWaalsContact CD1-SD 3.53Å; F237-M283 HydrophobicContact CD2-CE 3.5Å; F237-M283 HydrophobicContact CD2-SD 4.05Å; F237-M283 HydrophobicContact CE1-CB 4.13Å; F237-M283 HydrophobicContact CE1-CE 3.9Å; F237-M283 HydrophobicContact CE1-CG 3.49Å; F237-M283 VanDerWaalsContact CE1-CG 3.49Å; F237-M283 HydrophobicContact CE1-SD 3.87Å; F237-M283 HydrophobicContact CE2-CE 3.45Å; F237-M283 VanDerWaalsContact CE2-CE 3.45Å; F237-M283 HydrophobicContact CE2-SD 4.35Å; F237-M283 HydrophobicContact CG-CE 3.75Å; F237-M283 HydrophobicContact CG-CG 4.34Å; F237-M283 HydrophobicContact CG-SD 3.62Å; F237-M283 HydrophobicContact CZ-CE 3.65Å; F237-M283 HydrophobicContact CZ-CG 4.09Å; F237-M283 HydrophobicContact CZ-SD 4.27Å | ||
| 238 | Y | 96.2 | Very high | 95.3 | Very high | 43 Ų | 43 | 53 Ų | 53 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 147.1 | 173.5 | -67.4 | -76.7 | 0 | 0 | 0 | 110.9 | A201 F202 K229 V233 H234 T236 | A201-Y238 CarbonylContact C-O 3.58Å; A201-Y238 WeakPolarHBondContact CA-O 3.24Å; A201-Y238 WeakPolarHBondContact CB-O 3.17Å; F202-Y238 VanDerWaalsContact CD1-O 3.3Å; F202-Y238 WeakPolarHBondContact CD1-O 3.43Å; F202-Y238 PolarHBondContact N-O 2.95Å; F202-Y238 PolarHBondContact O-N 3.21Å; K229-Y238 HydrophobicContact CD-CD1 4.49Å; K229-Y238 HydrophobicContact CD-CD2 4.03Å; K229-Y238 HydrophobicContact CD-CE1 4.34Å; K229-Y238 HydrophobicContact CD-CE2 3.83Å; K229-Y238 HydrophobicContact CD-CG 4.33Å; K229-Y238 VanDerWaalsContact CE-CZ 3.47Å; K229-Y238 WeakPolarHBondContact CE-OH 3.17Å; K229-Y238 HydrophobicContact CG-CD2 3.98Å; K229-Y238 HydrophobicContact CG-CE2 3.61Å; V233-Y238 WeakPolarHBondContact CG2-OH 3.46Å; H234-Y238 WeakPolarHBondContact O-CE2 3.24Å; H234-Y238 PolarHBondContact O-OH 3.45Å; T236-Y238 HydrophobicContact CG2-CE1 4.21Å; T236-Y238 HydrophobicContact CG2-CE2 4.22Å; T236-Y238 WeakPolarHBondContact O-CD2 3.35Å; T236-Y238 PolarHBondContact O-N 3.3Å |
| 239 | P | 97.1 | Very high | 95.3 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 136.3 | -179.4 | 27.7 | -34.5 | 0 | 0 | 0 | 112 | Q241 | P239-Q241 PolarHBondContact O-N 2.9Å; P239-Q241 PolarHBondContact O-NE2 3Å |
| 240 | V | 98.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 122.2 | 166.4 | 174.8 | 0 | 0 | 0 | 0 | 108.1 | P199 F200 F202 I226 L245 | P199-V240 HydrophobicContact CB-CG2 4.22Å; F200-V240 PolarHBondContact O-N 2.63Å; F202-V240 HydrophobicContact CD1-CG2 4.09Å; I226-V240 HydrophobicContact CG2-CG2 3.69Å; V240-L245 HydrophobicContact CG1-CD2 4.29Å |
| 241 | Q | 96.7 | Very high | 95 | Very high | 161 Ų | 161 | 59 Ų | 59 | 75% | 0.752 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -69.7 | -37.4 | -174.4 | -62.6 | -58.5 | -52.3 | 0 | 0 | 112.3 | P239 Q243 | P239-Q241 PolarHBondContact O-N 2.9Å; P239-Q241 PolarHBondContact O-NE2 3Å; Q241-Q243 PolarHBondContact O-N 3.32Å |
| 242 | N | 95.7 | Very high | 94.9 | Very high | 65 Ų | 65 | 60 Ų | 60 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | trans | -83.5 | 91.2 | 175.6 | -177.5 | 9.5 | 0 | 0 | 0 | 110.6 | S244 L245 | N242-S244 PolarHBondContact O-N 3.32Å; N242-S244 VanDerWaalsContact O-N 3.16Å; N242-S244 PolarHBondContact OD1-N 3.33Å; N242-S244 VanDerWaalsContact OD1-N 3.12Å; N242-L245 HydrophobicContact CB-CB 4.26Å; N242-L245 VanDerWaalsContact O-CB 3.29Å; N242-L245 WeakPolarHBondContact O-CB 3.35Å; N242-L245 PolarHBondContact O-N 3.14Å; N242-L245 VanDerWaalsContact O-N 3.12Å; N242-L245 PolarHBondContact OD1-N 2.5Å | ||
| 243 | Q | 94 | Very high | 95 | Very high | 179 Ų | 179 | 58.1 Ų | 58.1 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -9.6 | 178.7 | -63.2 | -173.1 | -18.1 | 0 | 0 | 114.4 | Q241 | Q241-Q243 PolarHBondContact O-N 3.32Š|
| 244 | S | 96 | Very high | 95 | Very high | 100 Ų | 100 | 56.3 Ų | 56.3 | 70% | 0.699 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 9.9 | 175.3 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | N242 | N242-S244 PolarHBondContact O-N 3.32Å; N242-S244 VanDerWaalsContact O-N 3.16Å; N242-S244 PolarHBondContact OD1-N 3.33Å; N242-S244 VanDerWaalsContact OD1-N 3.12Å |
| 245 | L | 97.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | trans | -68.5 | 132.3 | 176.1 | -176.8 | 58.3 | 0 | 0 | 0 | 110.3 | P199 V217 Y224 I226 V240 N242 | P199-L245 HydrophobicContact CB-CD2 4.42Å; P199-L245 WeakPolarHBondContact CD-O 3.46Å; P199-L245 HydrophobicContact CG-CD2 4.3Å; P199-L245 HydrophobicContact CG-CG 4.38Å; V217-L245 HydrophobicContact CB-CD1 4.37Å; V217-L245 HydrophobicContact CG2-CD1 4.29Å; V217-L245 HydrophobicContact CG2-CD2 4.12Å; V217-L245 HydrophobicContact CG2-CG 4.4Å; Y224-L245 VanDerWaalsContact CB-CD1 3.49Å; Y224-L245 HydrophobicContact CD2-CD1 4.11Å; Y224-L245 HydrophobicContact CG-CD1 3.87Å; I226-L245 HydrophobicContact CB-CD2 4.46Å; I226-L245 HydrophobicContact CG1-CD2 3.78Å; V240-L245 HydrophobicContact CG1-CD2 4.29Å; N242-L245 HydrophobicContact CB-CB 4.26Å; N242-L245 VanDerWaalsContact O-CB 3.29Å; N242-L245 WeakPolarHBondContact O-CB 3.35Å; N242-L245 PolarHBondContact O-N 3.14Å; N242-L245 VanDerWaalsContact O-N 3.12Å; N242-L245 PolarHBondContact OD1-N 2.5Å | ||
| 246 | E | 97.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | trans | -127.9 | 145.5 | 178.2 | -61.7 | -170.9 | 172.3 | 0 | 0 | 109.3 | T196 L197 H198 H248 | T196-E246 HydrophobicContact CG2-CB 3.77Å; T196-E246 HydrophobicContact CG2-CG 4.12Å; L197-E246 CarbonylContact O-C 3.13Å; L197-E246 WeakPolarHBondContact O-CA 3.46Å; H198-E246 IonicContact CE1-OE1 3.68Å; H198-E246 PolarHBondContact CE1-OE1 3.26Å; H198-E246 VanDerWaalsContact CE1-OE1 3.23Å; H198-E246 IonicContact ND1-OE1 2.71Å; E246-H248 IonicContact OE2-CE1 3.44Å; E246-H248 PolarHBondContact OE2-CE1 3.26Å; E246-H248 IonicContact OE2-NE2 3.5Å | ||
| 247 | I | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -114.4 | 117.4 | 170.8 | -54.8 | 175.7 | 0 | 0 | 0 | 106.6 | Y191 T196 L197 P199 V217 I253 | Y191-I247 HydrophobicContact CD1-CG2 3.99Å; Y191-I247 HydrophobicContact CG-CG2 4.07Å; T196-I247 WeakPolarHBondContact CA-O 3.19Å; L197-I247 HydrophobicContact CB-CB 4.01Å; L197-I247 HydrophobicContact CB-CD1 4.44Å; L197-I247 HydrophobicContact CD1-CB 4.49Å; L197-I247 HydrophobicContact CD1-CD1 4.41Å; L197-I247 HydrophobicContact CG-CB 4.35Å; L197-I247 PolarHBondContact N-O 3.04Å; L197-I247 PolarHBondContact O-N 3.37Å; P199-I247 HydrophobicContact CG-CD1 3.54Å; P199-I247 HydrophobicContact CG-CG1 3.84Å; V217-I247 HydrophobicContact CB-CG1 4.42Å; V217-I247 HydrophobicContact CG1-CB 4.49Å; V217-I247 HydrophobicContact CG1-CG1 3.96Å; V217-I247 HydrophobicContact CG1-CG2 4.46Å; V217-I247 HydrophobicContact CG2-CD1 3.8Å; V217-I247 HydrophobicContact CG2-CG1 3.54Å; I247-I253 HydrophobicContact CD1-CD1 3.93Å; I247-I253 HydrophobicContact CD1-CG1 4.15Å; I247-I253 HydrophobicContact CG2-CD1 3.96Å; I247-I253 HydrophobicContact CG2-CG1 3.93Å |
| 248 | H | 96.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 28% | 0.282 | 26% | 0.259 | S | S | . | . | trans | -103.5 | 163.1 | -180 | -59.3 | -60.6 | 0 | 0 | 0 | 110.7 | Y191 T196 D219 E246 Q250 S251 | Y191-H248 WeakPolarHBondContact CD1-O 3.35Å; T196-H248 PolarHBondContact OG1-ND1 3.49Å; D219-H248 IonicContact OD2-CD2 3.43Å; E246-H248 IonicContact OE2-CE1 3.44Å; E246-H248 PolarHBondContact OE2-CE1 3.26Å; E246-H248 IonicContact OE2-NE2 3.5Å; H248-Q250 PolarHBondContact O-N 3.49Å; H248-S251 PolarHBondContact N-OG 2.77Å; H248-S251 WeakPolarHBondContact O-CB 3.36Å; H248-S251 PolarHBondContact O-N 3.42Å; H248-S251 PolarHBondContact O-OG 3.29Å | ||
| 249 | K | 95.7 | Very high | 95.4 | Very high | 106 Ų | 106 | 49.4 Ų | 49.4 | 46% | 0.461 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 133.5 | 169.5 | -167.7 | 176.9 | -174.5 | 165.3 | 0 | 110.1 | G193 N194 S251 | G193-K249 VanDerWaalsContact O-CB 3.29Å; G193-K249 WeakPolarHBondContact O-CB 3.29Å; G193-K249 WeakPolarHBondContact O-CG 3.37Å; N194-K249 PolarHBondContact OD1-NZ 3.23Å; K249-S251 PolarHBondContact O-N 2.77Å |
| 250 | Q | 92 | Very high | 95.3 | Very high | 153 Ų | 153 | 47.5 Ų | 47.5 | 72% | 0.715 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | -2.1 | -173.7 | -52.9 | 170 | -9.5 | 0 | 0 | 115.7 | Y191 H248 | Y191-Q250 PolarHBondContact O-N 3.23Å; H248-Q250 PolarHBondContact O-N 3.49Å |
| 251 | S | 93.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 143.2 | 164.9 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | Y191 V218 H248 K249 | Y191-S251 WeakPolarHBondContact CB-O 3.49Å; Y191-S251 PolarHBondContact N-O 3.43Å; V218-S251 CarbonylContact O-C 3.59Å; V218-S251 WeakPolarHBondContact O-CA 3.31Å; H248-S251 PolarHBondContact N-OG 2.77Å; H248-S251 WeakPolarHBondContact O-CB 3.36Å; H248-S251 PolarHBondContact O-N 3.42Å; H248-S251 PolarHBondContact O-OG 3.29Å; K249-S251 PolarHBondContact O-N 2.77Å |
| 252 | I | 92.6 | Very high | 95.2 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 122.9 | 175.1 | -59.5 | 171.8 | 0 | 0 | 0 | 108.2 | A188 C189 V217 V218 F314 L317 | A188-I252 HydrophobicContact CB-CG2 3.92Å; C189-I252 WeakPolarHBondContact O-CA 3.42Å; V217-I252 CarbonylContact C-O 3.56Å; V217-I252 WeakPolarHBondContact CA-O 3.47Å; V218-I252 HydrophobicContact CB-CB 4.24Å; V218-I252 PolarHBondContact N-O 3.16Å; V218-I252 PolarHBondContact O-N 3.08Å; I252-F314 HydrophobicContact CD1-CD1 4.37Å; I252-F314 HydrophobicContact CD1-CE1 4.07Å; I252-F314 HydrophobicContact CG1-CE1 4.19Å; I252-F314 HydrophobicContact CG2-CD1 4.43Å; I252-F314 HydrophobicContact CG2-CE1 3.92Å; I252-L317 HydrophobicContact CB-CD2 4.08Å; I252-L317 HydrophobicContact CD1-CD1 4.39Å; I252-L317 HydrophobicContact CD1-CD2 3.53Å; I252-L317 HydrophobicContact CD1-CG 4.39Å; I252-L317 HydrophobicContact CG1-CD2 4.37Å; I252-L317 HydrophobicContact CG2-CD2 3.57Å |
| 253 | I | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.9 | 173.6 | -48.6 | 176.7 | 0 | 0 | 0 | 106.4 | Y169 L171 A188 C189 Y191 I226 I247 I282 | Y169-I253 HydrophobicContact CD1-CD1 4.07Å; Y169-I253 HydrophobicContact CD1-CG2 4.46Å; Y169-I253 HydrophobicContact CD2-CD1 3.97Å; Y169-I253 HydrophobicContact CE1-CB 4.47Å; Y169-I253 HydrophobicContact CE1-CD1 3.91Å; Y169-I253 HydrophobicContact CE1-CG2 4.47Å; Y169-I253 HydrophobicContact CE2-CD1 3.81Å; Y169-I253 HydrophobicContact CG-CD1 4.11Å; L171-I253 HydrophobicContact CD1-CG2 3.94Å; L171-I253 HydrophobicContact CD2-CG2 4.12Å; A188-I253 VanDerWaalsContact CA-O 3.27Å; A188-I253 WeakPolarHBondContact CA-O 3.33Å; C189-I253 PolarHBondContact N-O 3.26Å; C189-I253 PolarHBondContact O-N 2.83Å; Y191-I253 HydrophobicContact CD2-CD1 4.5Å; I226-I253 HydrophobicContact CD1-CG2 4.47Å; I247-I253 HydrophobicContact CD1-CD1 3.93Å; I247-I253 HydrophobicContact CD1-CG1 4.15Å; I247-I253 HydrophobicContact CG2-CD1 3.96Å; I247-I253 HydrophobicContact CG2-CG1 3.93Å; I253-I282 HydrophobicContact CG2-CD1 3.38Å |
| 254 | A | 93.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V187 A188 G215 Y216 L321 | V187-A254 CarbonylContact O-C 3.58Å; V187-A254 WeakPolarHBondContact O-CA 3.38Å; A188-A254 HydrophobicContact CB-CB 3.74Å; G215-A254 CarbonylContact C-O 3.54Å; G215-A254 WeakPolarHBondContact CA-O 3.32Å; Y216-A254 PolarHBondContact N-O 2.65Å; Y216-A254 PolarHBondContact O-N 3.11Å; A254-L321 HydrophobicContact CB-CD1 4.33Å |
| 255 | A | 94.2 | Very high | 95.3 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L171 D186 V187 K214 F280 | L171-A255 HydrophobicContact CB-CB 4.12Å; L171-A255 HydrophobicContact CD2-CB 4.08Å; L171-A255 HydrophobicContact CG-CB 4.47Å; D186-A255 WeakPolarHBondContact CA-O 3.39Å; V187-A255 PolarHBondContact N-O 3.43Å; V187-A255 PolarHBondContact O-N 3.46Å; K214-A255 CarbonylContact O-C 3.52Å; K214-A255 WeakPolarHBondContact O-CA 3.23Å; A255-F280 HydrophobicContact CB-CB 3.55Å; A255-F280 HydrophobicContact CB-CD2 4.29Å; A255-F280 HydrophobicContact CB-CG 3.89Å |
| 256 | R | 92.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.038 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.4 | 172.8 | 173.2 | 169.5 | -75.8 | 161.1 | 5.8 | 109.1 | L185 D186 S213 K214 I258 L321 | L185-R256 CarbonylContact O-C 3.52Å; L185-R256 VanDerWaalsContact O-CA 3.32Å; L185-R256 WeakPolarHBondContact O-CA 3.04Å; D186-R256 WeakPolarHBondContact OD1-CB 3.41Å; D186-R256 WeakPolarHBondContact OD1-CD 3.3Å; D186-R256 WeakPolarHBondContact OD1-CG 3.27Å; D186-R256 IonicContact OD1-CZ 3.85Å; D186-R256 IonicContact OD1-NE 2.69Å; D186-R256 PolarHBondContact OD1-NE 2.55Å; D186-R256 IonicContact OD1-NH2 3.35Å; D186-R256 PolarHBondContact OD1-NH2 3.2Å; D186-R256 IonicContact OD2-CZ 3.99Å; D186-R256 IonicContact OD2-NE 3.46Å; D186-R256 PolarHBondContact OD2-NE 2.83Å; D186-R256 IonicContact OD2-NH2 2.73Å; D186-R256 PolarHBondContact OD2-NH2 3.21Å; S213-R256 CarbonylContact C-O 3.43Å; S213-R256 VanDerWaalsContact CA-O 3.31Å; S213-R256 WeakPolarHBondContact CA-O 3.22Å; K214-R256 PolarHBondContact N-O 3.28Å; K214-R256 PolarHBondContact O-N 2.92Å; R256-I258 HydrophobicContact CG-CG1 4.48Å; R256-L321 PolarHBondContact NH1-O 3.18Å; R256-L321 PolarHBondContact NH2-O 3.38Å |
| 257 | C | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.9 | 164.5 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | T184 L185 S213 M259 C278 | T184-C257 WeakPolarHBondContact CA-O 3.21Å; L185-C257 HydrophobicContact CB-CB 4.42Å; L185-C257 PolarHBondContact N-O 3Å; L185-C257 PolarHBondContact O-N 2.91Å; S213-C257 PolarHBondContact OG-SG 3.13Å; C257-M259 HydrophobicContact CB-CG 4.36Å; C257-M259 HydrophobicContact CB-SD 3.62Å; C257-C278 HydrophobicContact CB-CB 3.73Å; C257-C278 WeakPolarHBondContact CB-SG 3.38Å; C257-C278 VanDerWaalsContact SG-CA 3.52Å; C257-C278 WeakPolarHBondContact SG-CB 3.43Å; C257-C278 CovalentContact SG-SG 2.03Å; C257-C278 PolarHBondContact SG-SG 3.02Å |
| 258 | I | 95.1 | Very high | 95 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.8 | 170.8 | -53.4 | 176.9 | 0 | 0 | 0 | 106.3 | I182 V211 L212 R256 F330 F332 | I182-I258 HydrophobicContact CG2-CG2 4.05Å; V211-I258 HydrophobicContact CB-CG2 4.39Å; V211-I258 WeakPolarHBondContact CB-O 3.33Å; V211-I258 PolarHBondContact N-O 2.81Å; L212-I258 HydrophobicContact CB-CB 4.35Å; L212-I258 HydrophobicContact CB-CD1 4.07Å; L212-I258 HydrophobicContact CB-CG1 4.45Å; L212-I258 HydrophobicContact CD2-CD1 3.99Å; L212-I258 HydrophobicContact CG-CD1 4.39Å; L212-I258 PolarHBondContact N-O 2.84Å; L212-I258 WeakPolarHBondContact O-CB 3.41Å; L212-I258 PolarHBondContact O-N 3.34Å; R256-I258 HydrophobicContact CG-CG1 4.48Å; I258-F330 HydrophobicContact CD1-CD1 4.45Å; I258-F330 HydrophobicContact CD1-CE1 3.48Å; I258-F330 VanDerWaalsContact CD1-CE1 3.48Å; I258-F330 HydrophobicContact CD1-CZ 3.9Å; I258-F330 HydrophobicContact CG1-CE1 4.32Å; I258-F332 HydrophobicContact CD1-CE1 4.41Å; I258-F332 HydrophobicContact CD1-CZ 3.82Å; I258-F332 HydrophobicContact CG2-CE1 4.29Å; I258-F332 HydrophobicContact CG2-CZ 4.07Å |
| 259 | M | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 147.1 | -174.8 | -48.2 | -56.5 | -77 | 0 | 0 | 109.8 | I177 I182 A183 L185 T206 H209 C257 E276 | I177-M259 HydrophobicContact CD1-CB 3.71Å; I177-M259 HydrophobicContact CD1-CE 3.68Å; I177-M259 HydrophobicContact CD1-CG 3.81Å; I177-M259 HydrophobicContact CG1-CB 4.14Å; I177-M259 HydrophobicContact CG1-CG 4.22Å; I177-M259 HydrophobicContact CG2-CB 4.36Å; I182-M259 CarbonylContact C-O 3.53Å; I182-M259 VanDerWaalsContact CA-O 3.26Å; I182-M259 WeakPolarHBondContact CA-O 3.19Å; I182-M259 WeakPolarHBondContact CG2-O 3.38Å; A183-M259 PolarHBondContact N-O 2.89Å; A183-M259 PolarHBondContact O-N 2.81Å; L185-M259 HydrophobicContact CD1-CG 3.67Å; L185-M259 HydrophobicContact CD1-SD 4.42Å; L185-M259 HydrophobicContact CG-CG 3.74Å; T206-M259 HydrophobicContact CG2-CE 4.13Å; T206-M259 HydrophobicContact CG2-SD 4.18Å; H209-M259 HydrophobicContact CB-CE 4.23Å; H209-M259 CarbonylContact O-C 3.55Å; H209-M259 VanDerWaalsContact O-CA 3.32Å; H209-M259 WeakPolarHBondContact O-CA 3.33Å; C257-M259 HydrophobicContact CB-CG 4.36Å; C257-M259 HydrophobicContact CB-SD 3.62Å; M259-E276 VanDerWaalsContact CE-CD 3.5Å; M259-E276 HydrophobicContact CE-CG 3.24Å; M259-E276 WeakPolarHBondContact CE-OE1 3.42Å |
| 260 | Q | 96.2 | Very high | 94.4 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 106.8 | 174.1 | 179.5 | 173.5 | -8.3 | 0 | 0 | 109.3 | I182 H209 V211 N262 | I182-Q260 HydrophobicContact CG1-CB 4.49Å; I182-Q260 HydrophobicContact CG1-CG 4.3Å; H209-Q260 PolarHBondContact CD2-O 2.69Å; H209-Q260 VanDerWaalsContact CD2-O 3.29Å; H209-Q260 PolarHBondContact O-N 3.2Å; V211-Q260 HydrophobicContact CG2-CB 3.67Å; Q260-N262 WeakPolarHBondContact CG-OD1 3.34Å; Q260-N262 PolarHBondContact NE2-ND2 2.71Å; Q260-N262 PolarHBondContact NE2-OD1 2.83Å |
| 261 | N | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 103.8 | 172.8 | 179.5 | 8.7 | 0 | 0 | 0 | 109.8 | I177 G178 P179 S180 Q181 E263 R265 I267 | I177-N261 HydrophobicContact CB-CB 4.47Å; I177-N261 HydrophobicContact CG2-CB 3.55Å; I177-N261 PolarHBondContact O-ND2 3.28Å; G178-N261 PolarHBondContact O-ND2 2.89Å; P179-N261 WeakPolarHBondContact CA-ND2 3.49Å; S180-N261 CarbonylContact C-O 3.57Å; S180-N261 WeakPolarHBondContact CA-O 3.35Å; S180-N261 PolarHBondContact N-O 3.26Å; S180-N261 VanDerWaalsContact N-O 3.1Å; Q181-N261 PolarHBondContact N-O 2.88Å; Q181-N261 PolarHBondContact O-N 3.04Å; N261-E263 VanDerWaalsContact C-N 3.31Å; N261-E263 WeakPolarHBondContact OD1-CA 3.02Å; N261-E263 VanDerWaalsContact OD1-CB 3.23Å; N261-E263 WeakPolarHBondContact OD1-CB 3.43Å; N261-E263 PolarHBondContact OD1-N 2.85Å; N261-R265 PolarHBondContact ND2-O 2.69Å; N261-I267 HydrophobicContact CB-CG1 4.28Å; N261-I267 WeakPolarHBondContact ND2-CG1 3.41Å |
| 262 | N | 95.5 | Very high | 93.2 | Very high | 119 Ų | 119 | 40.6 Ų | 40.6 | 64% | 0.636 | 21% | 0.206 | S | C | * | . | trans | -86.6 | -2.8 | 175.3 | -64.4 | -40.7 | 0 | 0 | 0 | 112.6 | Q260 | Q260-N262 WeakPolarHBondContact CG-OD1 3.34Å; Q260-N262 PolarHBondContact NE2-ND2 2.71Å; Q260-N262 PolarHBondContact NE2-OD1 2.83Å | ||
| 263 | E | 95 | Very high | 92.7 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -82.5 | 167.2 | 179.9 | -54.6 | -167.8 | -136.1 | 0 | 0 | 112.5 | S180 H209 N261 R265 I267 | S180-E263 PolarHBondContact N-O 2.82Å; S180-E263 PolarHBondContact OG-O 2.93Å; S180-E263 VanDerWaalsContact OG-O 3.05Å; H209-E263 IonicContact CE1-OE1 2.91Å; H209-E263 IonicContact NE2-OE1 2.64Å; N261-E263 VanDerWaalsContact C-N 3.31Å; N261-E263 WeakPolarHBondContact OD1-CA 3.02Å; N261-E263 VanDerWaalsContact OD1-CB 3.23Å; N261-E263 WeakPolarHBondContact OD1-CB 3.43Å; N261-E263 PolarHBondContact OD1-N 2.85Å; E263-R265 HydrophobicContact CB-CG 4.14Å; E263-R265 IonicContact OE1-CZ 3.42Å; E263-R265 IonicContact OE1-NE 3.51Å; E263-R265 IonicContact OE1-NH2 3.68Å; E263-R265 PolarHBondContact OE1-NH2 3.37Å; E263-R265 WeakPolarHBondContact OE2-CD 2.98Å; E263-R265 WeakPolarHBondContact OE2-CG 3.38Å; E263-R265 IonicContact OE2-CZ 2.67Å; E263-R265 IonicContact OE2-NE 3.07Å; E263-R265 PolarHBondContact OE2-NE 3Å; E263-R265 IonicContact OE2-NH2 3.98Å; E263-R265 PolarHBondContact OE2-NH2 3.07Å; E263-I267 HydrophobicContact CB-CD1 4.47Å; E263-I267 HydrophobicContact CG-CD1 4.34Å; E263-I267 WeakPolarHBondContact OE1-CD1 3.47Å |
| 264 | S | 96.4 | Very high | 92.3 | Very high | 112 Ų | 112 | 50 Ų | 50 | 78% | 0.783 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -87.7 | -10.3 | 174.3 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | P179 | P179-S264 VanDerWaalsContact CB-C 3.47Å; P179-S264 VanDerWaalsContact CB-O 3.25Å; P179-S264 WeakPolarHBondContact CB-O 3.25Å |
| 265 | R | 96.3 | Very high | 92.2 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 33% | 0.328 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -97.7 | 161.8 | 178.2 | 67 | 173.6 | 178.3 | 106.6 | 3.6 | 111.5 | N261 E263 I267 N274 | N261-R265 PolarHBondContact ND2-O 2.69Å; E263-R265 HydrophobicContact CB-CG 4.14Å; E263-R265 IonicContact OE1-CZ 3.42Å; E263-R265 IonicContact OE1-NE 3.51Å; E263-R265 IonicContact OE1-NH2 3.68Å; E263-R265 PolarHBondContact OE1-NH2 3.37Å; E263-R265 WeakPolarHBondContact OE2-CD 2.98Å; E263-R265 WeakPolarHBondContact OE2-CG 3.38Å; E263-R265 IonicContact OE2-CZ 2.67Å; E263-R265 IonicContact OE2-NE 3.07Å; E263-R265 PolarHBondContact OE2-NE 3Å; E263-R265 IonicContact OE2-NH2 3.98Å; E263-R265 PolarHBondContact OE2-NH2 3.07Å; R265-I267 HydrophobicContact CG-CD1 4.05Å; R265-I267 VanDerWaalsContact NH2-CD1 3.32Å; R265-N274 PolarHBondContact NH1-O 3.37Å; R265-N274 PolarHBondContact NH2-O 2.99Å |
| 266 | I | 96.6 | Very high | 92.2 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 48% | 0.477 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -72 | 132.4 | 164.5 | -59.9 | 169.7 | 0 | 0 | 0 | 107.6 | D176 I177 | D176-I266 HydrophobicContact CB-CG2 3.82Å; I177-I266 WeakPolarHBondContact O-CA 3.3Å |
| 267 | I | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 122 | 169.5 | -47.3 | -59.7 | 0 | 0 | 0 | 107.4 | I177 N261 E263 R265 E276 | I177-I267 HydrophobicContact CB-CB 4.29Å; I177-I267 PolarHBondContact N-O 2.88Å; I177-I267 PolarHBondContact O-N 3.1Å; N261-I267 HydrophobicContact CB-CG1 4.28Å; N261-I267 WeakPolarHBondContact ND2-CG1 3.41Å; E263-I267 HydrophobicContact CB-CD1 4.47Å; E263-I267 HydrophobicContact CG-CD1 4.34Å; E263-I267 WeakPolarHBondContact OE1-CD1 3.47Å; R265-I267 HydrophobicContact CG-CD1 4.05Å; R265-I267 VanDerWaalsContact NH2-CD1 3.32Å; I267-E276 HydrophobicContact CG2-CB 3.51Å; I267-E276 HydrophobicContact CG2-CG 4.46Å |
| 268 | R | 94.4 | Very high | 92.2 | Very high | 167 Ų | 167 | 52.2 Ų | 52.2 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 155 | -179 | -66.4 | -172.9 | 173.8 | 153.2 | -0.7 | 111.4 | D176 D275 E276 | D176-R268 WeakPolarHBondContact OD1-CA 3.3Å; R268-D275 CarbonylContact O-C 3.54Å; R268-D275 WeakPolarHBondContact O-CA 3.04Å; R268-D275 WeakPolarHBondContact O-CB 3.16Å; R268-E276 PolarHBondContact O-N 2.94Å |
| 269 | M | 92.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 22% | 0.217 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -68.2 | 137.7 | 166 | -65.1 | -59.4 | 99.3 | 0 | 0 | 110.6 | G174 E175 D176 I177 L185 E276 | G174-M269 VanDerWaalsContact C-CG 3.45Å; G174-M269 VanDerWaalsContact O-CG 3.31Å; G174-M269 WeakPolarHBondContact O-CG 3.47Å; E175-M269 WeakPolarHBondContact O-CE 3.12Å; D176-M269 PolarHBondContact OD1-N 2.95Å; I177-M269 HydrophobicContact CD1-CE 4.08Å; I177-M269 HydrophobicContact CG1-CE 4.19Å; L185-M269 HydrophobicContact CD1-CE 4.18Å; L185-M269 HydrophobicContact CD1-SD 4.45Å; M269-E276 CarbonylContact C-O 3.52Å; M269-E276 VanDerWaalsContact CA-O 3.24Å; M269-E276 WeakPolarHBondContact CA-O 3.19Å; M269-E276 HydrophobicContact CE-CB 3.63Å; M269-E276 HydrophobicContact CE-CG 4.02Å; M269-E276 VanDerWaalsContact SD-O 3.42Å |
| 270 | G | 87 | Confident | 92.3 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 172.8 | 178.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H207 D275 E276 M277 | H207-G270 PolarHBondContact CE1-O 3.03Å; H207-G270 VanDerWaalsContact CE1-O 3.29Å; G270-D275 VanDerWaalsContact CA-CB 3.47Å; G270-E276 PolarHBondContact N-O 3.13Å; G270-M277 VanDerWaalsContact O-CE 3.32Å; G270-M277 WeakPolarHBondContact O-CE 2.97Å; G270-M277 WeakPolarHBondContact O-CG 2.97Å |
| 271 | N | 79.9 | Confident | 92.4 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -97.4 | -4 | -169.8 | -66.9 | -65.3 | 0 | 0 | 0 | 114.9 | Y40 E88 M277 | Y40-N271 PolarHBondContact OH-O 2.95Å; E88-N271 PolarHBondContact OE2-ND2 2.84Å; N271-M277 HydrophobicContact CB-CE 4.14Å; N271-M277 WeakPolarHBondContact OD1-CE 3.47Å |
| 272 | T | 81.1 | Confident | 92.4 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -100.1 | 162.3 | -176.6 | 79.8 | 0 | 0 | 0 | 0 | 111.6 | M89 H207 N274 D275 | M89-T272 HydrophobicContact CE-CG2 4.39Å; M89-T272 HydrophobicContact CG-CG2 4.17Å; M89-T272 HydrophobicContact SD-CG2 3.66Å; H207-T272 PolarHBondContact CE1-O 2.98Å; H207-T272 PolarHBondContact ND1-O 2.86Å; T272-N274 PolarHBondContact O-N 3.34Å; T272-N274 PolarHBondContact OG1-N 2.93Å; T272-D275 WeakPolarHBondContact CB-OD2 3.36Å; T272-D275 PolarHBondContact N-OD2 2.99Å; T272-D275 PolarHBondContact O-N 3.33Å; T272-D275 VanDerWaalsContact OG1-CG 3.29Å; T272-D275 PolarHBondContact OG1-OD2 3.45Å |
| 273 | R | 81.7 | Confident | 92.6 | Very high | 126 Ų | 126 | 45.9 Ų | 45.9 | 48% | 0.475 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.1 | 173.8 | 65.9 | 179.7 | 155 | 178.6 | -8.9 | 114.8 | D37 D38 | D37-R273 IonicContact OD2-CZ 3.23Å; D37-R273 IonicContact OD2-NH2 2.7Å; D37-R273 PolarHBondContact OD2-NH2 3.22Å; D38-R273 IonicContact OD2-NE 3.55Å; D38-R273 PolarHBondContact OD2-NE 3.1Å |
| 274 | N | 87.2 | Confident | 92.7 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.3 | 178.5 | -64.3 | -55.7 | 0 | 0 | 0 | 113.1 | R265 T272 | R265-N274 PolarHBondContact NH1-O 3.37Å; R265-N274 PolarHBondContact NH2-O 2.99Å; T272-N274 PolarHBondContact O-N 3.34Å; T272-N274 PolarHBondContact OG1-N 2.93Å |
| 275 | D | 90.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -100.4 | -173.9 | 177.1 | -49.2 | -48.1 | 0 | 0 | 0 | 109.2 | H207 R268 G270 T272 | H207-D275 PolarHBondContact ND1-O 3.29Å; R268-D275 CarbonylContact O-C 3.54Å; R268-D275 WeakPolarHBondContact O-CA 3.04Å; R268-D275 WeakPolarHBondContact O-CB 3.16Å; G270-D275 VanDerWaalsContact CA-CB 3.47Å; T272-D275 WeakPolarHBondContact CB-OD2 3.36Å; T272-D275 PolarHBondContact N-OD2 2.99Å; T272-D275 PolarHBondContact O-N 3.33Å; T272-D275 VanDerWaalsContact OG1-CG 3.29Å; T272-D275 PolarHBondContact OG1-OD2 3.45Å |
| 276 | E | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -139.5 | 164.2 | -179.3 | -168.7 | 49.5 | -112.5 | 0 | 0 | 111.5 | I177 T206 H207 G208 H209 M259 I267 R268 M269 G270 | I177-E276 HydrophobicContact CD1-CB 4.1Å; I177-E276 HydrophobicContact CD1-CG 3.53Å; T206-E276 WeakPolarHBondContact CA-OE1 3.39Å; T206-E276 WeakPolarHBondContact CB-OE1 3.38Å; H207-E276 VanDerWaalsContact C-OE2 3.31Å; H207-E276 WeakPolarHBondContact CA-OE1 3.4Å; H207-E276 WeakPolarHBondContact CB-OE2 3.48Å; H207-E276 PolarHBondContact N-OE1 2.76Å; G208-E276 PolarHBondContact N-OE2 3.22Å; H209-E276 HydrophobicContact CB-CG 4.18Å; H209-E276 WeakPolarHBondContact CB-OE2 3.36Å; H209-E276 IonicContact CG-OE2 2.6Å; H209-E276 PolarHBondContact N-OE2 2.67Å; H209-E276 IonicContact ND1-OE2 3.27Å; H209-E276 PolarHBondContact ND1-OE2 3.06Å; H209-E276 VanDerWaalsContact ND1-OE2 3.16Å; M259-E276 VanDerWaalsContact CE-CD 3.5Å; M259-E276 HydrophobicContact CE-CG 3.24Å; M259-E276 WeakPolarHBondContact CE-OE1 3.42Å; I267-E276 HydrophobicContact CG2-CB 3.51Å; I267-E276 HydrophobicContact CG2-CG 4.46Å; R268-E276 PolarHBondContact O-N 2.94Å; M269-E276 CarbonylContact C-O 3.52Å; M269-E276 VanDerWaalsContact CA-O 3.24Å; M269-E276 WeakPolarHBondContact CA-O 3.19Å; M269-E276 HydrophobicContact CE-CB 3.63Å; M269-E276 HydrophobicContact CE-CG 4.02Å; M269-E276 VanDerWaalsContact SD-O 3.42Å; G270-E276 PolarHBondContact N-O 3.13Å |
| 277 | M | 93.6 | Very high | 93 | Very high | 24 Ų | 24 | 33 Ų | 33 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | trans | -137.2 | 155.6 | 174.5 | -71.9 | -161.5 | -168 | 0 | 0 | 110.5 | H205 T206 G270 N271 | H205-M277 VanDerWaalsContact CD2-SD 3.59Å; H205-M277 PolarHBondContact NE2-SD 2.96Å; T206-M277 WeakPolarHBondContact CA-O 3.36Å; T206-M277 VanDerWaalsContact CB-O 3.28Å; T206-M277 WeakPolarHBondContact CB-O 3.34Å; T206-M277 VanDerWaalsContact CG2-O 3.29Å; T206-M277 WeakPolarHBondContact CG2-O 3.37Å; G270-M277 VanDerWaalsContact O-CE 3.32Å; G270-M277 WeakPolarHBondContact O-CE 2.97Å; G270-M277 WeakPolarHBondContact O-CG 2.97Å; N271-M277 HydrophobicContact CB-CE 4.14Å; N271-M277 WeakPolarHBondContact OD1-CE 3.47Å | ||
| 278 | C | 95.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | trans | -136.3 | 92.9 | 166 | 166.5 | 0 | 0 | 0 | 0 | 108.9 | V172 S173 L185 C257 | V172-C278 WeakPolarHBondContact CA-O 3.47Å; S173-C278 PolarHBondContact N-O 2.88Å; L185-C278 HydrophobicContact CB-CB 4.42Å; L185-C278 HydrophobicContact CD1-CB 4.01Å; C257-C278 HydrophobicContact CB-CB 3.73Å; C257-C278 WeakPolarHBondContact CB-SG 3.38Å; C257-C278 VanDerWaalsContact SG-CA 3.52Å; C257-C278 WeakPolarHBondContact SG-CB 3.43Å; C257-C278 CovalentContact SG-SG 2.03Å; C257-C278 PolarHBondContact SG-SG 3.02Å | ||
| 279 | N | 95.4 | Very high | 93 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.9 | -179.7 | -55.3 | -11.4 | 0 | 0 | 0 | 110.7 | L171 H205 Y281 | L171-N279 CarbonylContact O-C 3.57Å; L171-N279 VanDerWaalsContact O-CA 3.28Å; L171-N279 WeakPolarHBondContact O-CA 3.23Å; H205-N279 HydrophobicContact CB-CB 4.25Å; H205-N279 PolarHBondContact N-O 3.46Å; H205-N279 PolarHBondContact O-N 3.01Å; N279-Y281 HydrophobicContact CB-CD2 4.39Å; N279-Y281 HydrophobicContact CB-CE2 3.48Å; N279-Y281 VanDerWaalsContact CB-CE2 3.48Å; N279-Y281 WeakPolarHBondContact CB-OH 3.27Å; N279-Y281 PolarHBondContact ND2-OH 2.64Å |
| 280 | F | 97 | Very high | 93.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 117.9 | 172.1 | -164.9 | -78.8 | 0 | 0 | 0 | 109.3 | L171 F202 V204 G215 I226 A255 I282 | L171-F280 HydrophobicContact CB-CB 4.3Å; L171-F280 HydrophobicContact CD1-CB 4.33Å; L171-F280 HydrophobicContact CD1-CD1 4.16Å; L171-F280 WeakPolarHBondContact CD1-O 3.12Å; L171-F280 PolarHBondContact N-O 2.03Å; L171-F280 PolarHBondContact O-N 3.33Å; F202-F280 HydrophobicContact CB-CE1 3.87Å; F202-F280 HydrophobicContact CB-CZ 3.8Å; F202-F280 HydrophobicContact CD2-CE1 4.45Å; F202-F280 AromaticContact CD2-CE2 3.94Å; F202-F280 HydrophobicContact CD2-CE2 3.94Å; F202-F280 AromaticContact CD2-CZ 3.59Å; F202-F280 HydrophobicContact CD2-CZ 3.59Å; F202-F280 HydrophobicContact CE2-CZ 4.48Å; F202-F280 HydrophobicContact CG-CE1 4.49Å; F202-F280 AromaticContact CG-CZ 3.92Å; F202-F280 HydrophobicContact CG-CZ 3.92Å; V204-F280 HydrophobicContact CG1-CD2 3.77Å; V204-F280 HydrophobicContact CG1-CE2 3.73Å; G215-F280 VanDerWaalsContact CA-CZ 3.46Å; I226-F280 HydrophobicContact CG2-CE1 4.17Å; I226-F280 HydrophobicContact CG2-CZ 4.36Å; A255-F280 HydrophobicContact CB-CB 3.55Å; A255-F280 HydrophobicContact CB-CD2 4.29Å; A255-F280 HydrophobicContact CB-CG 3.89Å; F280-I282 HydrophobicContact CD1-CD1 4.36Å; F280-I282 HydrophobicContact CD1-CG1 3.78Å; F280-I282 HydrophobicContact CE1-CD1 4.4Å; F280-I282 HydrophobicContact CE1-CG1 3.67Å |
| 281 | Y | 97.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.6 | -178 | -53.2 | -93.5 | 0 | 0 | 0 | 109.5 | I103 V168 T170 F202 R203 H205 N279 | I103-Y281 HydrophobicContact CD1-CD1 3.98Å; I103-Y281 HydrophobicContact CD1-CE1 3.4Å; I103-Y281 VanDerWaalsContact CD1-CE1 3.4Å; V168-Y281 HydrophobicContact CG1-CD1 4.16Å; T170-Y281 HydrophobicContact CG2-CD1 3.61Å; T170-Y281 HydrophobicContact CG2-CE1 3.42Å; T170-Y281 VanDerWaalsContact CG2-CE1 3.42Å; T170-Y281 HydrophobicContact CG2-CG 4.5Å; T170-Y281 WeakPolarHBondContact OG1-CD1 3.41Å; F202-Y281 CarbonylContact C-O 3.51Å; F202-Y281 WeakPolarHBondContact CA-O 3.28Å; F202-Y281 WeakPolarHBondContact CB-O 2.75Å; R203-Y281 HydrophobicContact CB-CD2 4.13Å; R203-Y281 HydrophobicContact CG-CD2 4.1Å; R203-Y281 PolarHBondContact N-O 2.95Å; R203-Y281 PolarHBondContact O-N 1.98Å; H205-Y281 HydrophobicContact CB-CE2 4.04Å; N279-Y281 HydrophobicContact CB-CD2 4.39Å; N279-Y281 HydrophobicContact CB-CE2 3.48Å; N279-Y281 VanDerWaalsContact CB-CE2 3.48Å; N279-Y281 WeakPolarHBondContact CB-OH 3.27Å; N279-Y281 PolarHBondContact ND2-OH 2.64Å |
| 282 | I | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 111.6 | 177 | -56.1 | 159.2 | 0 | 0 | 0 | 107.6 | V168 Y169 L171 P199 I226 I253 F280 | V168-I282 CarbonylContact C-O 3.58Å; V168-I282 WeakPolarHBondContact CA-O 3.28Å; Y169-I282 PolarHBondContact N-O 2.95Å; Y169-I282 PolarHBondContact O-N 2.82Å; L171-I282 HydrophobicContact CD1-CD1 3.63Å; L171-I282 HydrophobicContact CD1-CG1 4.3Å; P199-I282 HydrophobicContact CB-CG2 3.8Å; P199-I282 HydrophobicContact CG-CG2 4.11Å; I226-I282 HydrophobicContact CD1-CD1 3.49Å; I226-I282 VanDerWaalsContact CD1-CD1 3.49Å; I226-I282 HydrophobicContact CD1-CG1 4Å; I226-I282 HydrophobicContact CG2-CG1 4.42Å; I226-I282 HydrophobicContact CG2-CG2 4.44Å; I253-I282 HydrophobicContact CG2-CD1 3.38Å; F280-I282 HydrophobicContact CD1-CD1 4.36Å; F280-I282 HydrophobicContact CD1-CG1 3.78Å; F280-I282 HydrophobicContact CE1-CD1 4.4Å; F280-I282 HydrophobicContact CE1-CG1 3.67Å |
| 283 | M | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 122.6 | 164.1 | -91.9 | -179.5 | -174.6 | 0 | 0 | 109.1 | V104 Y105 F114 F122 G167 V168 P199 F200 A201 F237 | V104-M283 WeakPolarHBondContact O-CE 3.25Å; Y105-M283 HydrophobicContact CD2-CE 4.13Å; F114-M283 HydrophobicContact CE1-CE 4.21Å; F114-M283 HydrophobicContact CE1-SD 3.64Å; F114-M283 HydrophobicContact CZ-SD 3.86Å; F122-M283 HydrophobicContact CE2-CE 3.97Å; F122-M283 HydrophobicContact CE2-SD 4.48Å; F122-M283 HydrophobicContact CZ-CE 3.98Å; F122-M283 HydrophobicContact CZ-CG 4.33Å; G167-M283 WeakPolarHBondContact O-CA 3.33Å; V168-M283 HydrophobicContact CG2-CE 4.44Å; V168-M283 HydrophobicContact CG2-CG 3.89Å; P199-M283 WeakPolarHBondContact CA-O 3.28Å; F200-M283 HydrophobicContact CD1-CB 4.4Å; F200-M283 WeakPolarHBondContact CD1-O 3.45Å; F200-M283 HydrophobicContact CE1-CB 3.82Å; F200-M283 HydrophobicContact CE2-CB 3.95Å; F200-M283 HydrophobicContact CE2-SD 4.13Å; F200-M283 HydrophobicContact CZ-CB 3.57Å; F200-M283 HydrophobicContact CZ-CG 4.12Å; F200-M283 HydrophobicContact CZ-SD 4.05Å; F200-M283 PolarHBondContact N-O 2.93Å; A201-M283 HydrophobicContact CB-CB 4.04Å; A201-M283 HydrophobicContact CB-SD 4.41Å; A201-M283 PolarHBondContact N-O 2.98Å; A201-M283 PolarHBondContact O-N 2.87Å; F237-M283 HydrophobicContact CB-SD 4.16Å; F237-M283 HydrophobicContact CD1-CB 4.05Å; F237-M283 HydrophobicContact CD1-CE 3.94Å; F237-M283 HydrophobicContact CD1-CG 3.64Å; F237-M283 HydrophobicContact CD1-SD 3.53Å; F237-M283 VanDerWaalsContact CD1-SD 3.53Å; F237-M283 HydrophobicContact CD2-CE 3.5Å; F237-M283 HydrophobicContact CD2-SD 4.05Å; F237-M283 HydrophobicContact CE1-CB 4.13Å; F237-M283 HydrophobicContact CE1-CE 3.9Å; F237-M283 HydrophobicContact CE1-CG 3.49Å; F237-M283 VanDerWaalsContact CE1-CG 3.49Å; F237-M283 HydrophobicContact CE1-SD 3.87Å; F237-M283 HydrophobicContact CE2-CE 3.45Å; F237-M283 VanDerWaalsContact CE2-CE 3.45Å; F237-M283 HydrophobicContact CE2-SD 4.35Å; F237-M283 HydrophobicContact CG-CE 3.75Å; F237-M283 HydrophobicContact CG-CG 4.34Å; F237-M283 HydrophobicContact CG-SD 3.62Å; F237-M283 HydrophobicContact CZ-CE 3.65Å; F237-M283 HydrophobicContact CZ-CG 4.09Å; F237-M283 HydrophobicContact CZ-SD 4.27Å |
| 284 | Y | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 159.7 | 177.6 | 66 | -93.5 | 0 | 0 | 0 | 110.3 | A166 G167 L197 H198 F200 V286 L294 | A166-Y284 CarbonylContact C-O 3.6Å; A166-Y284 VanDerWaalsContact CA-O 3.26Å; A166-Y284 WeakPolarHBondContact CA-O 3.46Å; G167-Y284 PolarHBondContact N-O 3.08Å; G167-Y284 PolarHBondContact O-N 2.9Å; L197-Y284 HydrophobicContact CB-CD2 3.97Å; L197-Y284 HydrophobicContact CB-CG 4.08Å; L197-Y284 HydrophobicContact CD1-CD1 4.24Å; L197-Y284 HydrophobicContact CD1-CD2 4.26Å; L197-Y284 HydrophobicContact CD1-CE1 4.32Å; L197-Y284 HydrophobicContact CD1-CE2 4.35Å; L197-Y284 HydrophobicContact CD1-CG 4.2Å; L197-Y284 HydrophobicContact CD2-CD2 3.71Å; L197-Y284 HydrophobicContact CD2-CE2 3.61Å; L197-Y284 HydrophobicContact CD2-CG 4.45Å; L197-Y284 HydrophobicContact CG-CD2 4.21Å; L197-Y284 HydrophobicContact CG-CE2 4.43Å; L197-Y284 HydrophobicContact CG-CG 4.49Å; H198-Y284 VanDerWaalsContact O-CA 3.3Å; H198-Y284 WeakPolarHBondContact O-CA 3.23Å; F200-Y284 VanDerWaalsContact CE1-C 3.45Å; F200-Y284 WeakPolarHBondContact CE1-O 3.43Å; Y284-V286 HydrophobicContact CD2-CG1 4.16Å; Y284-V286 HydrophobicContact CE2-CG1 4.07Å; Y284-L294 HydrophobicContact CE2-CD2 3.73Å |
| 285 | W | 98.4 | Very high | 96 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 16% | 0.159 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 154 | 167.7 | 62.2 | -98.5 | 0 | 0 | 0 | 111.8 | V120 K164 L165 H198 F200 T287 | V120-W285 HydrophobicContact CG1-CB 3.92Å; V120-W285 HydrophobicContact CG1-CG 4.48Å; V120-W285 HydrophobicContact CG2-CG 4.31Å; K164-W285 HydrophobicContact CB-CB 4.03Å; K164-W285 HydrophobicContact CB-CD2 4.02Å; K164-W285 HydrophobicContact CB-CE3 3.91Å; K164-W285 HydrophobicContact CB-CG 4.07Å; K164-W285 HydrophobicContact CD-CD2 3.64Å; K164-W285 HydrophobicContact CD-CE3 3.77Å; K164-W285 HydrophobicContact CD-CG 4.15Å; K164-W285 HydrophobicContact CD-CH2 4.3Å; K164-W285 HydrophobicContact CD-CZ2 4.16Å; K164-W285 HydrophobicContact CD-CZ3 4.11Å; K164-W285 HydrophobicContact CG-CD2 3.91Å; K164-W285 HydrophobicContact CG-CE3 3.59Å; K164-W285 HydrophobicContact CG-CG 4.44Å; K164-W285 HydrophobicContact CG-CZ3 4.02Å; L165-W285 CarbonylContact O-C 3.59Å; L165-W285 WeakPolarHBondContact O-CA 3.29Å; H198-W285 HydrophobicContact CB-CD2 3.64Å; H198-W285 HydrophobicContact CB-CE3 4.1Å; H198-W285 HydrophobicContact CB-CG 4.17Å; H198-W285 HydrophobicContact CB-CH2 3.83Å; H198-W285 HydrophobicContact CB-CZ2 3.35Å; H198-W285 HydrophobicContact CB-CZ3 4.19Å; H198-W285 AromaticContact CD2-CE3 3.65Å; H198-W285 AromaticContact CD2-CH2 3.25Å; H198-W285 WeakPolarHBondContact CD2-CH2 3.32Å; H198-W285 AromaticContact CD2-CZ2 3.78Å; H198-W285 AromaticContact CD2-CZ3 3.18Å; H198-W285 WeakPolarHBondContact CD2-CZ3 3.49Å; H198-W285 AromaticContact CE1-CH2 3.76Å; H198-W285 AromaticContact CG-CE2 3.74Å; H198-W285 AromaticContact CG-CH2 3.31Å; H198-W285 AromaticContact CG-CZ2 3.35Å; H198-W285 AromaticContact CG-CZ3 3.69Å; H198-W285 PolarHBondContact N-O 3.3Å; H198-W285 VanDerWaalsContact N-O 3.08Å; H198-W285 AromaticContact ND1-CH2 3.64Å; H198-W285 AromaticContact ND1-CZ2 3.75Å; H198-W285 AromaticContact NE2-CH2 3.53Å; H198-W285 AromaticContact NE2-CZ3 3.64Å; H198-W285 PolarHBondContact O-N 3.36Å; F200-W285 HydrophobicContact CD1-CB 4.41Å; F200-W285 AromaticContact CD1-CD1 3.64Å; F200-W285 HydrophobicContact CD1-CG 4.43Å; F200-W285 HydrophobicContact CE1-CB 4.41Å; W285-T287 HydrophobicContact CZ3-CG2 4.19Å |
| 286 | V | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 161 | 167.9 | -61.8 | 0 | 0 | 0 | 0 | 109.2 | K164 L165 A195 L197 Y284 N290 Q293 L294 | K164-V286 CarbonylContact C-O 3.52Å; K164-V286 WeakPolarHBondContact CA-O 3.43Å; L165-V286 PolarHBondContact N-O 2.75Å; L165-V286 PolarHBondContact O-N 3.29Å; A195-V286 HydrophobicContact CB-CG1 4.31Å; L197-V286 HydrophobicContact CD2-CG1 3.73Å; Y284-V286 HydrophobicContact CD2-CG1 4.16Å; Y284-V286 HydrophobicContact CE2-CG1 4.07Å; V286-N290 HydrophobicContact CB-CB 4.07Å; V286-N290 HydrophobicContact CG2-CB 4.4Å; V286-Q293 HydrophobicContact CG1-CB 4.4Å; V286-Q293 HydrophobicContact CG1-CG 4.29Å; V286-L294 HydrophobicContact CG2-CD1 4.26Å; V286-L294 HydrophobicContact CG2-CD2 3.96Å; V286-L294 HydrophobicContact CG2-CG 3.95Å |
| 287 | T | 97.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 158.6 | 171.7 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | W285 D289 N290 | W285-T287 HydrophobicContact CZ3-CG2 4.19Å; T287-D289 WeakPolarHBondContact CB-OD1 3.39Å; T287-D289 PolarHBondContact O-N 2.74Å; T287-D289 PolarHBondContact OG1-OD1 2.91Å; T287-N290 WeakPolarHBondContact O-CA 3.33Å; T287-N290 PolarHBondContact O-N 3.1Å; T287-N290 PolarHBondContact OG1-ND2 3.25Å |
| 288 | N | 95.1 | Very high | 95.7 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -56.6 | -32.8 | -177.8 | -71 | -21.3 | 0 | 0 | 0 | 114.3 | T162 S163 L165 N290 E291 | T162-N288 PolarHBondContact O-ND2 3.12Å; T162-N288 PolarHBondContact O-OD1 3.44Å; S163-N288 PolarHBondContact O-N 3.48Å; L165-N288 VanDerWaalsContact CG-OD1 3.24Å; L165-N288 WeakPolarHBondContact CG-OD1 3.41Å; N288-N290 PolarHBondContact O-N 3.21Å; N288-E291 WeakPolarHBondContact O-CB 3.14Å; N288-E291 PolarHBondContact O-N 3.28Å |
| 289 | D | 96.2 | Very high | 95.5 | Very high | 133 Ų | 133 | 41.1 Ų | 41.1 | 71% | 0.711 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -66.8 | -16.9 | 175.3 | 56 | -58.7 | 0 | 0 | 0 | 113.4 | T287 | T287-D289 WeakPolarHBondContact CB-OD1 3.39Å; T287-D289 PolarHBondContact O-N 2.74Å; T287-D289 PolarHBondContact OG1-OD1 2.91Å |
| 290 | N | 97.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 41.4 Ų | 41.4 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -108 | 15.5 | 179.5 | -70.1 | -61.3 | 0 | 0 | 0 | 113.1 | A195 V286 T287 N288 Q292 Q293 | A195-N290 HydrophobicContact CB-CB 3.7Å; V286-N290 HydrophobicContact CB-CB 4.07Å; V286-N290 HydrophobicContact CG2-CB 4.4Å; T287-N290 WeakPolarHBondContact O-CA 3.33Å; T287-N290 PolarHBondContact O-N 3.1Å; T287-N290 PolarHBondContact OG1-ND2 3.25Å; N288-N290 PolarHBondContact O-N 3.21Å; N290-Q292 PolarHBondContact O-N 2.95Å; N290-Q293 VanDerWaalsContact O-CB 3.29Å; N290-Q293 WeakPolarHBondContact O-CB 3.41Å; N290-Q293 PolarHBondContact O-N 2.96Å |
| 291 | E | 96.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -51.2 | -34.9 | -176.7 | -179.8 | 179.4 | 161.2 | 0 | 0 | 113.4 | K123 L165 N288 Q293 L294 Y295 | K123-E291 WeakPolarHBondContact CD-OE1 3.43Å; K123-E291 IonicContact NZ-OE1 3.3Å; K123-E291 PolarHBondContact NZ-OE1 2.93Å; K123-E291 IonicContact NZ-OE2 3.5Å; K123-E291 PolarHBondContact NZ-OE2 3.49Å; L165-E291 HydrophobicContact CD1-CB 3.91Å; L165-E291 HydrophobicContact CD1-CG 3.66Å; N288-E291 WeakPolarHBondContact O-CB 3.14Å; N288-E291 PolarHBondContact O-N 3.28Å; E291-Q293 PolarHBondContact O-N 2.85Å; E291-L294 WeakPolarHBondContact O-CB 3.43Å; E291-L294 WeakPolarHBondContact O-CG 3.49Å; E291-L294 PolarHBondContact O-N 2.8Å; E291-Y295 HydrophobicContact CG-CE2 3.73Å; E291-Y295 WeakPolarHBondContact OE1-CE2 3.47Å; E291-Y295 PolarHBondContact OE1-OH 2.84Å |
| 292 | Q | 95.1 | Very high | 94.8 | Very high | 139 Ų | 139 | 44.9 Ų | 44.9 | 65% | 0.65 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -57.1 | -25 | -179.3 | -173.9 | 55.5 | 62.9 | 0 | 0 | 113.4 | N290 L294 Y295 D296 | N290-Q292 PolarHBondContact O-N 2.95Å; Q292-L294 PolarHBondContact O-N 3.1Å; Q292-Y295 PolarHBondContact O-N 3Å; Q292-D296 PolarHBondContact O-N 3.4Å |
| 293 | Q | 96.2 | Very high | 94.5 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -59.7 | -33.4 | 174.5 | -178.6 | 57 | 52.9 | 0 | 0 | 112.7 | Y191 A195 L197 V286 N290 E291 Y295 D296 N299 Q300 | Y191-Q293 PolarHBondContact OH-OE1 2.89Å; A195-Q293 HydrophobicContact CB-CB 3.78Å; A195-Q293 HydrophobicContact CB-CG 3.91Å; L197-Q293 HydrophobicContact CD2-CG 3.67Å; V286-Q293 HydrophobicContact CG1-CB 4.4Å; V286-Q293 HydrophobicContact CG1-CG 4.29Å; N290-Q293 VanDerWaalsContact O-CB 3.29Å; N290-Q293 WeakPolarHBondContact O-CB 3.41Å; N290-Q293 PolarHBondContact O-N 2.96Å; E291-Q293 PolarHBondContact O-N 2.85Å; Q293-Y295 PolarHBondContact O-N 2.89Å; Q293-D296 PolarHBondContact O-N 2.79Å; Q293-N299 VanDerWaalsContact NE2-CB 3.25Å; Q293-Q300 PolarHBondContact O-NE2 2.82Å; Q293-Q300 VanDerWaalsContact O-NE2 3.13Å |
| 294 | L | 95.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -69 | -13.3 | -178.3 | -58.7 | -180 | 0 | 0 | 0 | 113.1 | Y130 L165 Y284 V286 E291 Q292 | Y130-L294 PolarHBondContact OH-O 3.02Å; L165-L294 HydrophobicContact CB-CD1 3.48Å; L165-L294 VanDerWaalsContact CB-CD1 3.48Å; L165-L294 HydrophobicContact CD1-CD1 4.25Å; Y284-L294 HydrophobicContact CE2-CD2 3.73Å; V286-L294 HydrophobicContact CG2-CD1 4.26Å; V286-L294 HydrophobicContact CG2-CD2 3.96Å; V286-L294 HydrophobicContact CG2-CG 3.95Å; E291-L294 WeakPolarHBondContact O-CB 3.43Å; E291-L294 WeakPolarHBondContact O-CG 3.49Å; E291-L294 PolarHBondContact O-N 2.8Å; Q292-L294 PolarHBondContact O-N 3.1Å |
| 295 | Y | 92.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 55.6 Ų | 55.6 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -118.2 | 6.9 | -178.2 | -42.8 | -47.4 | 0 | 0 | 0 | 111.8 | T128 P129 Y130 E291 Q292 Q293 A297 | T128-Y295 VanDerWaalsContact CG2-OH 3.31Å; T128-Y295 WeakPolarHBondContact CG2-OH 3.33Å; P129-Y295 HydrophobicContact CG-CD1 3.26Å; P129-Y295 HydrophobicContact CG-CE1 3.71Å; P129-Y295 HydrophobicContact CG-CG 3.73Å; Y130-Y295 HydrophobicContact CD2-CE1 4.17Å; Y130-Y295 HydrophobicContact CE2-CD1 4.04Å; Y130-Y295 AromaticContact CE2-CE1 3.65Å; Y130-Y295 HydrophobicContact CE2-CE1 3.65Å; Y130-Y295 AromaticContact CZ-CD1 3.99Å; E291-Y295 HydrophobicContact CG-CE2 3.73Å; E291-Y295 WeakPolarHBondContact OE1-CE2 3.47Å; E291-Y295 PolarHBondContact OE1-OH 2.84Å; Q292-Y295 PolarHBondContact O-N 3Å; Q293-Y295 PolarHBondContact O-N 2.89Å; Y295-A297 PolarHBondContact O-N 3.36Å |
| 296 | D | 93.1 | Very high | 91.5 | Very high | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | trans | -80.5 | 101.7 | 175.9 | 178.5 | 9.6 | 0 | 0 | 0 | 109.9 | Q292 Q293 N298 N299 Q300 | Q292-D296 PolarHBondContact O-N 3.4Å; Q293-D296 PolarHBondContact O-N 2.79Å; D296-N298 PolarHBondContact O-N 2.85Å; D296-N298 VanDerWaalsContact O-N 3.14Å; D296-N298 PolarHBondContact OD1-N 2.82Å; D296-N298 VanDerWaalsContact OD1-N 3.1Å; D296-N298 PolarHBondContact OD1-ND2 2.92Å; D296-N298 VanDerWaalsContact OD1-ND2 3.1Å; D296-N299 PolarHBondContact O-N 3.34Å; D296-N299 PolarHBondContact OD2-ND2 2.93Å; D296-Q300 WeakPolarHBondContact O-CG 3.22Å; D296-Q300 PolarHBondContact O-NE2 2.83Å | ||
| 297 | A | 88.5 | Confident | 89.8 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -56.6 | -26.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y295 N299 | Y295-A297 PolarHBondContact O-N 3.36Å; A297-N299 PolarHBondContact O-N 2.75Å |
| 298 | N | 88.7 | Confident | 88 | Confident | 128 Ų | 128 | 60.3 Ų | 60.3 | 68% | 0.684 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -75.3 | -12.2 | 179.5 | -54.4 | -68.7 | 0 | 0 | 0 | 113.1 | D296 | D296-N298 PolarHBondContact O-N 2.85Å; D296-N298 VanDerWaalsContact O-N 3.14Å; D296-N298 PolarHBondContact OD1-N 2.82Å; D296-N298 VanDerWaalsContact OD1-N 3.1Å; D296-N298 PolarHBondContact OD1-ND2 2.92Å; D296-N298 VanDerWaalsContact OD1-ND2 3.1Å |
| 299 | N | 92.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -129.4 | 35.6 | -174.8 | -70.9 | -71 | 0 | 0 | 0 | 111.6 | Y169 Y191 T192 G193 Q293 D296 A297 | Y169-N299 WeakPolarHBondContact CD2-O 3.38Å; Y169-N299 HydrophobicContact CE2-CB 4.32Å; Y169-N299 WeakPolarHBondContact CE2-O 2.91Å; Y191-N299 HydrophobicContact CD2-CB 4.12Å; Y191-N299 WeakPolarHBondContact CD2-OD1 3.33Å; Y191-N299 HydrophobicContact CE2-CB 3.88Å; T192-N299 PolarHBondContact N-OD1 3.1Å; T192-N299 PolarHBondContact OG1-ND2 3.47Å; T192-N299 PolarHBondContact OG1-OD1 3.19Å; G193-N299 PolarHBondContact N-ND2 2.79Å; Q293-N299 VanDerWaalsContact NE2-CB 3.25Å; D296-N299 PolarHBondContact O-N 3.34Å; D296-N299 PolarHBondContact OD2-ND2 2.93Å; A297-N299 PolarHBondContact O-N 2.75Å |
| 300 | Q | 90.5 | Very high | 84.7 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -40.3 | 171.3 | -57.6 | -49.8 | -52.4 | 0 | 0 | 112.9 | V168 Y169 T170 Q293 D296 | V168-Q300 PolarHBondContact O-OE1 2.82Å; Y169-Q300 CarbonylContact C-O 3.59Å; Y169-Q300 WeakPolarHBondContact CA-O 3.49Å; T170-Q300 PolarHBondContact N-O 2.96Å; Q293-Q300 PolarHBondContact O-NE2 2.82Å; Q293-Q300 VanDerWaalsContact O-NE2 3.13Å; D296-Q300 WeakPolarHBondContact O-CG 3.22Å; D296-Q300 PolarHBondContact O-NE2 2.83Å |
| 301 | V | 92.4 | Very high | 82.8 | Confident | 86 Ų | 86 | 58.2 Ų | 58.2 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131.1 | -174.8 | -177 | 0 | 0 | 0 | 0 | 109.7 | T170 | T170-V301 CarbonylContact O-C 3.59Å; T170-V301 WeakPolarHBondContact O-CA 3.3Å |
| 302 | C | 93 | Very high | 81 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 114 | 167.4 | 176.2 | 0 | 0 | 0 | 0 | 107.8 | Y169 T170 L171 V172 V187 A188 C189 | Y169-C302 HydrophobicContact CE1-CB 3.77Å; T170-C302 PolarHBondContact O-N 3.23Å; L171-C302 CarbonylContact C-O 3.44Å; L171-C302 VanDerWaalsContact CA-O 3.31Å; L171-C302 WeakPolarHBondContact CA-O 3.38Å; L171-C302 HydrophobicContact CD2-CB 4.42Å; L171-C302 HydrophobicContact CG-CB 4.2Å; V172-C302 PolarHBondContact N-O 3.01Å; V187-C302 HydrophobicContact CG1-CB 4.45Å; V187-C302 VanDerWaalsContact CG1-SG 3.56Å; A188-C302 VanDerWaalsContact C-SG 3.51Å; C189-C302 HydrophobicContact CB-CB 3.68Å; C189-C302 WeakPolarHBondContact CB-SG 3.42Å; C189-C302 PolarHBondContact N-SG 3.39Å; C189-C302 VanDerWaalsContact N-SG 3.37Å; C189-C302 VanDerWaalsContact SG-CA 3.51Å; C189-C302 WeakPolarHBondContact SG-CB 3.45Å; C189-C302 CovalentContact SG-SG 2.02Å; C189-C302 PolarHBondContact SG-SG 2.92Å |
| 303 | F | 90.7 | Very high | 79.1 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 50% | 0.504 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139 | 178.1 | 176.5 | -91.9 | 0 | 0 | 0 | 109.2 | V172 D305 | V172-F303 HydrophobicContact CB-CD2 3.89Å; V172-F303 HydrophobicContact CG1-CD2 3.69Å; V172-F303 HydrophobicContact CG1-CE2 3.99Å; V172-F303 WeakPolarHBondContact O-CA 3.22Å; F303-D305 HydrophobicContact CE1-CB 4.01Å; F303-D305 HydrophobicContact CZ-CB 4.37Å |
| 304 | M | 85.9 | Confident | 77.5 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130.5 | 174.3 | -66 | -164.8 | 69.9 | 0 | 0 | 110.1 | V172 S173 G174 V187 A188 G306 D309 F310 | V172-M304 PolarHBondContact O-N 2.93Å; V172-M304 VanDerWaalsContact O-N 3.15Å; S173-M304 CarbonylContact C-O 3.51Å; G174-M304 PolarHBondContact N-O 2.92Å; V187-M304 HydrophobicContact CG1-CB 4.33Å; V187-M304 HydrophobicContact CG1-CG 4Å; V187-M304 HydrophobicContact CG1-SD 4.44Å; A188-M304 PolarHBondContact N-SD 2.94Å; M304-G306 VanDerWaalsContact C-N 3.32Å; M304-D309 HydrophobicContact CE-CB 3.65Å; M304-F310 HydrophobicContact CE-CD1 3.41Å; M304-F310 VanDerWaalsContact CE-CD1 3.41Å; M304-F310 HydrophobicContact CE-CD2 3.8Å; M304-F310 HydrophobicContact CE-CE1 3.31Å; M304-F310 HydrophobicContact CE-CE2 3.67Å; M304-F310 HydrophobicContact CE-CG 3.66Å; M304-F310 HydrophobicContact CE-CZ 3.43Å; M304-F310 VanDerWaalsContact CE-CZ 3.43Å; M304-F310 HydrophobicContact SD-CD1 4Å; M304-F310 HydrophobicContact SD-CE1 3.37Å; M304-F310 WeakPolarHBondContact SD-CE1 3.07Å; M304-F310 HydrophobicContact SD-CE2 4.39Å; M304-F310 HydrophobicContact SD-CZ 3.58Å; M304-F310 VanDerWaalsContact SD-CZ 3.58Å |
| 305 | D | 77.5 | Confident | 75.9 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | trans | -91.1 | 2.9 | -179.6 | -156.8 | 30.4 | 0 | 0 | 0 | 112.9 | F303 D309 | F303-D305 HydrophobicContact CE1-CB 4.01Å; F303-D305 HydrophobicContact CZ-CB 4.37Å; D305-D309 PolarHBondContact N-OD2 3.47Å | ||
| 306 | G | 69 | Low | 74.4 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 8% | 0.082 | 40% | 0.395 | C | S | . | . | S | Bend | trans | 144.9 | -169.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M304 S308 D309 | M304-G306 VanDerWaalsContact C-N 3.32Å; G306-S308 PolarHBondContact O-N 2.6Å; G306-S308 VanDerWaalsContact O-N 3.08Å; G306-D309 PolarHBondContact O-N 3.29Å |
| 307 | E | 62 | Low | 72.8 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -62 | -19.5 | -175 | -73 | -172.1 | -172.1 | 0 | 0 | 114.4 | D309 F310 Y318 R322 | E307-D309 PolarHBondContact O-N 3.15Å; E307-F310 HydrophobicContact CB-CD2 4.43Å; E307-F310 PolarHBondContact O-N 2.9Å; E307-Y318 HydrophobicContact CG-CE1 4.31Å; E307-R322 IonicContact OE1-CZ 3.06Å; E307-R322 IonicContact OE1-NH1 2.77Å; E307-R322 PolarHBondContact OE1-NH1 2.92Å; E307-R322 IonicContact OE1-NH2 2.76Å; E307-R322 PolarHBondContact OE1-NH2 2.9Å |
| 308 | S | 59.5 | Low | 71.5 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 67% | 0.671 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -64.8 | -23.2 | 179.9 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | G306 | G306-S308 PolarHBondContact O-N 2.6Å; G306-S308 VanDerWaalsContact O-N 3.08Å |
| 309 | D | 60.8 | Low | 70.2 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -89.8 | -5.5 | -171.8 | -63 | -9.2 | 0 | 0 | 0 | 112.6 | M304 D305 G306 E307 D311 | M304-D309 HydrophobicContact CE-CB 3.65Å; D305-D309 PolarHBondContact N-OD2 3.47Å; G306-D309 PolarHBondContact O-N 3.29Å; E307-D309 PolarHBondContact O-N 3.15Å; D309-D311 PolarHBondContact O-N 3.09Å |
| 310 | F | 61.5 | Low | 68.6 | Low | 13 Ų | 13 | 76.9 Ų | 76.9 | 6% | 0.057 | 38% | 0.38 | C | S | . | . | trans | -76.9 | 118.1 | 173.9 | -68.2 | -66.7 | 0 | 0 | 0 | 111 | D186 A188 M304 E307 F314 R315 Y318 | D186-F310 HydrophobicContact CB-CZ 4.49Å; A188-F310 HydrophobicContact CB-CE1 4.07Å; M304-F310 HydrophobicContact CE-CD1 3.41Å; M304-F310 VanDerWaalsContact CE-CD1 3.41Å; M304-F310 HydrophobicContact CE-CD2 3.8Å; M304-F310 HydrophobicContact CE-CE1 3.31Å; M304-F310 HydrophobicContact CE-CE2 3.67Å; M304-F310 HydrophobicContact CE-CG 3.66Å; M304-F310 HydrophobicContact CE-CZ 3.43Å; M304-F310 VanDerWaalsContact CE-CZ 3.43Å; M304-F310 HydrophobicContact SD-CD1 4Å; M304-F310 HydrophobicContact SD-CE1 3.37Å; M304-F310 WeakPolarHBondContact SD-CE1 3.07Å; M304-F310 HydrophobicContact SD-CE2 4.39Å; M304-F310 HydrophobicContact SD-CZ 3.58Å; M304-F310 VanDerWaalsContact SD-CZ 3.58Å; E307-F310 HydrophobicContact CB-CD2 4.43Å; E307-F310 PolarHBondContact O-N 2.9Å; F310-F314 HydrophobicContact CB-CB 3.78Å; F310-F314 HydrophobicContact CD1-CB 3.57Å; F310-F314 HydrophobicContact CD1-CD1 4.33Å; F310-F314 HydrophobicContact CD1-CG 4.14Å; F310-F314 HydrophobicContact CG-CB 4.09Å; F310-R315 HydrophobicContact CB-CG 4.21Å; F310-Y318 HydrophobicContact CD2-CD2 4.04Å; F310-Y318 HydrophobicContact CD2-CE2 4.28Å; F310-Y318 HydrophobicContact CD2-CG 4.48Å; F310-Y318 AromaticContact CE1-CD2 3.98Å; F310-Y318 HydrophobicContact CE1-CD2 3.98Å; F310-Y318 HydrophobicContact CE1-CE2 4.5Å; F310-Y318 AromaticContact CE2-CD2 3.48Å; F310-Y318 HydrophobicContact CE2-CD2 3.48Å; F310-Y318 VanDerWaalsContact CE2-CD2 3.48Å; F310-Y318 AromaticContact CE2-CE2 3.41Å; F310-Y318 HydrophobicContact CE2-CE2 3.41Å; F310-Y318 VanDerWaalsContact CE2-CE2 3.41Å; F310-Y318 HydrophobicContact CE2-CG 4.32Å; F310-Y318 AromaticContact CZ-CD2 3.45Å; F310-Y318 HydrophobicContact CZ-CD2 3.45Å; F310-Y318 VanDerWaalsContact CZ-CD2 3.45Å; F310-Y318 AromaticContact CZ-CE2 3.55Å; F310-Y318 HydrophobicContact CZ-CE2 3.55Å | ||
| 311 | D | 58.2 | Low | 66.9 | Low | 116 Ų | 116 | 76.7 Ų | 76.7 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | trans | -57.7 | 158.5 | 165 | -62.8 | -43.2 | 0 | 0 | 0 | 110.4 | D309 E313 F314 R315 | D309-D311 PolarHBondContact O-N 3.09Å; D311-E313 PolarHBondContact O-N 3.3Å; D311-E313 VanDerWaalsContact O-N 3.1Å; D311-F314 HydrophobicContact CB-CD2 3.92Å; D311-F314 CarbonylContact O-C 3.46Å; D311-F314 WeakPolarHBondContact O-CA 3.23Å; D311-F314 WeakPolarHBondContact O-CB 3.25Å; D311-F314 PolarHBondContact O-N 2.99Å; D311-R315 PolarHBondContact O-N 3.16Å | ||
| 312 | E | 58.2 | Low | 65.1 | Low | 164 Ų | 164 | 77.9 Ų | 77.9 | 77% | 0.766 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -52.7 | -37 | -178.3 | -82.4 | -172.5 | 154.8 | 0 | 0 | 113.6 | F314 R315 | E312-F314 VanDerWaalsContact C-N 3.31Å; E312-F314 PolarHBondContact O-N 3.04Å; E312-R315 WeakPolarHBondContact O-CB 3.44Å; E312-R315 PolarHBondContact O-N 2.77Å; E312-R315 VanDerWaalsContact O-N 3.14Å |
| 313 | E | 55.7 | Low | 63.2 | Low | 161 Ų | 161 | 81.9 Ų | 81.9 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | 175 | -173.3 | 172 | -169 | 0 | 0 | 111.4 | D311 R315 E316 L317 | D311-E313 PolarHBondContact O-N 3.3Å; D311-E313 VanDerWaalsContact O-N 3.1Å; E313-R315 VanDerWaalsContact C-N 3.32Å; E313-R315 PolarHBondContact O-N 2.84Å; E313-E316 PolarHBondContact O-N 2.84Å; E313-L317 PolarHBondContact O-N 3.23Å |
| 314 | F | 61.4 | Low | 61.4 | Low | 28 Ų | 28 | 80.6 Ų | 80.6 | 12% | 0.123 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.4 | -29.8 | 174.9 | -72.9 | -86 | 0 | 0 | 0 | 112.5 | A188 I252 F310 D311 E312 E316 L317 Y318 | A188-F314 HydrophobicContact CB-CD1 4.42Å; I252-F314 HydrophobicContact CD1-CD1 4.37Å; I252-F314 HydrophobicContact CD1-CE1 4.07Å; I252-F314 HydrophobicContact CG1-CE1 4.19Å; I252-F314 HydrophobicContact CG2-CD1 4.43Å; I252-F314 HydrophobicContact CG2-CE1 3.92Å; F310-F314 HydrophobicContact CB-CB 3.78Å; F310-F314 HydrophobicContact CD1-CB 3.57Å; F310-F314 HydrophobicContact CD1-CD1 4.33Å; F310-F314 HydrophobicContact CD1-CG 4.14Å; F310-F314 HydrophobicContact CG-CB 4.09Å; D311-F314 HydrophobicContact CB-CD2 3.92Å; D311-F314 CarbonylContact O-C 3.46Å; D311-F314 WeakPolarHBondContact O-CA 3.23Å; D311-F314 WeakPolarHBondContact O-CB 3.25Å; D311-F314 PolarHBondContact O-N 2.99Å; E312-F314 VanDerWaalsContact C-N 3.31Å; E312-F314 PolarHBondContact O-N 3.04Å; F314-E316 VanDerWaalsContact C-N 3.28Å; F314-E316 PolarHBondContact O-N 2.93Å; F314-L317 CarbonylContact O-C 3.28Å; F314-L317 PolarHBondContact O-N 2.83Å; F314-Y318 WeakPolarHBondContact O-CA 3.33Å; F314-Y318 WeakPolarHBondContact O-CB 3.27Å; F314-Y318 PolarHBondContact O-N 2.81Å |
| 315 | R | 61.9 | Low | 59.4 | Low | 130 Ų | 130 | 83.6 Ų | 83.6 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.4 | -33.6 | 178 | -69.2 | -177.8 | 174.1 | 178.4 | -3.7 | 112.9 | F310 D311 E312 E313 K319 | F310-R315 HydrophobicContact CB-CG 4.21Å; D311-R315 PolarHBondContact O-N 3.16Å; E312-R315 WeakPolarHBondContact O-CB 3.44Å; E312-R315 PolarHBondContact O-N 2.77Å; E312-R315 VanDerWaalsContact O-N 3.14Å; E313-R315 VanDerWaalsContact C-N 3.32Å; E313-R315 PolarHBondContact O-N 2.84Å; R315-K319 VanDerWaalsContact O-CG 3.26Å; R315-K319 WeakPolarHBondContact O-CG 3.45Å; R315-K319 PolarHBondContact O-N 3.01Å |
| 316 | E | 61.7 | Low | 57.7 | Low | 139 Ų | 139 | 83 Ų | 83 | 65% | 0.65 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -73.1 | -41.7 | 175.9 | -167.4 | 170.7 | -171.5 | 0 | 0 | 111.2 | E313 F314 Y318 K319 N320 | E313-E316 PolarHBondContact O-N 2.84Å; F314-E316 VanDerWaalsContact C-N 3.28Å; F314-E316 PolarHBondContact O-N 2.93Å; E316-Y318 VanDerWaalsContact C-N 3.31Å; E316-Y318 PolarHBondContact O-N 2.84Å; E316-K319 WeakPolarHBondContact O-CB 3.44Å; E316-K319 PolarHBondContact O-N 2.88Å; E316-N320 PolarHBondContact O-N 2.82Å; E316-N320 PolarHBondContact O-ND2 3.09Å |
| 317 | L | 60.1 | Low | 56.9 | Low | 24 Ų | 24 | 83.3 Ų | 83.3 | 13% | 0.126 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 170 | -172.5 | 81.7 | 0 | 0 | 0 | 111.4 | V218 I252 E313 F314 K319 N320 L321 | V218-L317 HydrophobicContact CB-CD1 4.21Å; V218-L317 HydrophobicContact CG1-CD1 3.74Å; V218-L317 HydrophobicContact CG2-CD1 4.16Å; I252-L317 HydrophobicContact CB-CD2 4.08Å; I252-L317 HydrophobicContact CD1-CD1 4.39Å; I252-L317 HydrophobicContact CD1-CD2 3.53Å; I252-L317 HydrophobicContact CD1-CG 4.39Å; I252-L317 HydrophobicContact CG1-CD2 4.37Å; I252-L317 HydrophobicContact CG2-CD2 3.57Å; E313-L317 PolarHBondContact O-N 3.23Å; F314-L317 CarbonylContact O-C 3.28Å; F314-L317 PolarHBondContact O-N 2.83Å; L317-K319 VanDerWaalsContact C-N 3.31Å; L317-K319 PolarHBondContact O-N 2.79Å; L317-N320 CarbonylContact O-C 3.58Å; L317-N320 WeakPolarHBondContact O-CA 3.35Å; L317-N320 WeakPolarHBondContact O-CB 3.26Å; L317-N320 PolarHBondContact O-N 2.86Å; L317-L321 HydrophobicContact CD2-CD1 4.01Å; L317-L321 HydrophobicContact CG-CD1 4.12Å; L317-L321 HydrophobicContact CG-CG 4.34Å; L317-L321 WeakPolarHBondContact O-CG 3.23Å; L317-L321 PolarHBondContact O-N 3.18Å |
| 318 | Y | 60 | Low | 56 | Low | 18 Ų | 18 | 88.1 Ų | 88.1 | 7% | 0.071 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 179.6 | -170.3 | -95.7 | 0 | 0 | 0 | 111.3 | D186 E307 F310 F314 E316 N320 L321 R322 | D186-Y318 HydrophobicContact CB-CD2 4.43Å; D186-Y318 HydrophobicContact CB-CE2 3.47Å; D186-Y318 VanDerWaalsContact CB-CE2 3.47Å; D186-Y318 WeakPolarHBondContact OD2-CE2 3.44Å; D186-Y318 VanDerWaalsContact OD2-CZ 3.27Å; D186-Y318 PolarHBondContact OD2-OH 2.92Å; E307-Y318 HydrophobicContact CG-CE1 4.31Å; F310-Y318 HydrophobicContact CD2-CD2 4.04Å; F310-Y318 HydrophobicContact CD2-CE2 4.28Å; F310-Y318 HydrophobicContact CD2-CG 4.48Å; F310-Y318 AromaticContact CE1-CD2 3.98Å; F310-Y318 HydrophobicContact CE1-CD2 3.98Å; F310-Y318 HydrophobicContact CE1-CE2 4.5Å; F310-Y318 AromaticContact CE2-CD2 3.48Å; F310-Y318 HydrophobicContact CE2-CD2 3.48Å; F310-Y318 VanDerWaalsContact CE2-CD2 3.48Å; F310-Y318 AromaticContact CE2-CE2 3.41Å; F310-Y318 HydrophobicContact CE2-CE2 3.41Å; F310-Y318 VanDerWaalsContact CE2-CE2 3.41Å; F310-Y318 HydrophobicContact CE2-CG 4.32Å; F310-Y318 AromaticContact CZ-CD2 3.45Å; F310-Y318 HydrophobicContact CZ-CD2 3.45Å; F310-Y318 VanDerWaalsContact CZ-CD2 3.45Å; F310-Y318 AromaticContact CZ-CE2 3.55Å; F310-Y318 HydrophobicContact CZ-CE2 3.55Å; F314-Y318 WeakPolarHBondContact O-CA 3.33Å; F314-Y318 WeakPolarHBondContact O-CB 3.27Å; F314-Y318 PolarHBondContact O-N 2.81Å; E316-Y318 VanDerWaalsContact C-N 3.31Å; E316-Y318 PolarHBondContact O-N 2.84Å; Y318-N320 VanDerWaalsContact C-N 3.32Å; Y318-N320 PolarHBondContact O-N 2.98Å; Y318-L321 CarbonylContact O-C 3.56Å; Y318-L321 PolarHBondContact O-N 2.88Å; Y318-R322 HydrophobicContact CD1-CG 4.44Å; Y318-R322 HydrophobicContact CE1-CG 3.97Å; Y318-R322 WeakPolarHBondContact O-CB 3.48Å; Y318-R322 PolarHBondContact O-N 3.06Å; Y318-R322 VanDerWaalsContact OH-CZ 3.28Å; Y318-R322 PolarHBondContact OH-NE 2.58Å; Y318-R322 PolarHBondContact OH-NH2 2.91Å |
| 319 | K | 62.1 | Low | 55.2 | Low | 148 Ų | 148 | 90.4 Ų | 90.4 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.8 | -42.3 | 170.3 | -76.2 | 170.7 | -176.3 | 175.8 | 0 | 111.6 | R315 E316 L317 R322 D323 | R315-K319 VanDerWaalsContact O-CG 3.26Å; R315-K319 WeakPolarHBondContact O-CG 3.45Å; R315-K319 PolarHBondContact O-N 3.01Å; E316-K319 WeakPolarHBondContact O-CB 3.44Å; E316-K319 PolarHBondContact O-N 2.88Å; L317-K319 VanDerWaalsContact C-N 3.31Å; L317-K319 PolarHBondContact O-N 2.79Å; K319-R322 PolarHBondContact O-N 2.64Å; K319-D323 WeakPolarHBondContact O-CB 3.41Å; K319-D323 PolarHBondContact O-N 2.94Å |
| 320 | N | 58.5 | Low | 54.2 | Low | 69 Ų | 69 | 87.4 Ų | 87.4 | 37% | 0.369 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.1 | -34.1 | 175.6 | -64.7 | -33.9 | 0 | 0 | 0 | 112.5 | E316 L317 Y318 F326 | E316-N320 PolarHBondContact O-N 2.82Å; E316-N320 PolarHBondContact O-ND2 3.09Å; L317-N320 CarbonylContact O-C 3.58Å; L317-N320 WeakPolarHBondContact O-CA 3.35Å; L317-N320 WeakPolarHBondContact O-CB 3.26Å; L317-N320 PolarHBondContact O-N 2.86Å; Y318-N320 VanDerWaalsContact C-N 3.32Å; Y318-N320 PolarHBondContact O-N 2.98Å; N320-F326 HydrophobicContact CB-CD2 4.25Å; N320-F326 HydrophobicContact CB-CE2 4.41Å; N320-F326 WeakPolarHBondContact O-CB 3.2Å |
| 321 | L | 54.6 | Low | 52.7 | Low | 16 Ų | 16 | 89.2 Ų | 89.2 | 8% | 0.084 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -72.4 | -34 | 174.1 | -66.5 | 169.6 | 0 | 0 | 0 | 111.7 | A254 R256 L317 Y318 F327 | A254-L321 HydrophobicContact CB-CD1 4.33Å; R256-L321 PolarHBondContact NH1-O 3.18Å; R256-L321 PolarHBondContact NH2-O 3.38Å; L317-L321 HydrophobicContact CD2-CD1 4.01Å; L317-L321 HydrophobicContact CG-CD1 4.12Å; L317-L321 HydrophobicContact CG-CG 4.34Å; L317-L321 WeakPolarHBondContact O-CG 3.23Å; L317-L321 PolarHBondContact O-N 3.18Å; Y318-L321 CarbonylContact O-C 3.56Å; Y318-L321 PolarHBondContact O-N 2.88Å; L321-F327 HydrophobicContact CB-CE2 4.41Å; L321-F327 HydrophobicContact CD2-CE1 4.45Å; L321-F327 HydrophobicContact CD2-CE2 4.29Å; L321-F327 HydrophobicContact CD2-CZ 3.6Å; L321-F327 WeakPolarHBondContact O-CE2 3.46Å |
| 322 | R | 55.6 | Low | 51.7 | Low | 110 Ų | 110 | 88.7 Ų | 88.7 | 42% | 0.415 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -78.7 | -26.9 | 174.6 | -90.7 | -164.4 | 169.4 | 164.2 | 5.2 | 113.3 | E307 Y318 K319 N324 | E307-R322 IonicContact OE1-CZ 3.06Å; E307-R322 IonicContact OE1-NH1 2.77Å; E307-R322 PolarHBondContact OE1-NH1 2.92Å; E307-R322 IonicContact OE1-NH2 2.76Å; E307-R322 PolarHBondContact OE1-NH2 2.9Å; Y318-R322 HydrophobicContact CD1-CG 4.44Å; Y318-R322 HydrophobicContact CE1-CG 3.97Å; Y318-R322 WeakPolarHBondContact O-CB 3.48Å; Y318-R322 PolarHBondContact O-N 3.06Å; Y318-R322 VanDerWaalsContact OH-CZ 3.28Å; Y318-R322 PolarHBondContact OH-NE 2.58Å; Y318-R322 PolarHBondContact OH-NH2 2.91Å; K319-R322 PolarHBondContact O-N 2.64Å; R322-N324 PolarHBondContact O-N 2.74Å |
| 323 | D | 52.4 | Low | 50.5 | Low | 86 Ų | 86 | 87.5 Ų | 87.5 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -68.9 | 99.7 | 171.1 | -171 | 2.2 | 0 | 0 | 0 | 108.4 | K319 S325 F326 | K319-D323 WeakPolarHBondContact O-CB 3.41Å; K319-D323 PolarHBondContact O-N 2.94Å; D323-S325 PolarHBondContact O-N 2.77Å; D323-S325 VanDerWaalsContact OD1-CB 3.27Å; D323-S325 WeakPolarHBondContact OD1-CB 3.22Å; D323-S325 PolarHBondContact OD1-N 2.82Å; D323-S325 VanDerWaalsContact OD1-N 3.17Å; D323-S325 PolarHBondContact OD1-OG 2.84Å; D323-S325 PolarHBondContact OD2-OG 3.48Å; D323-F326 PolarHBondContact O-N 3.39Å |
| 324 | N | 52.6 | Low | 49.5 | Very low | 87 Ų | 87 | 85.8 Ų | 85.8 | 47% | 0.465 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -10.2 | 175 | -72.4 | -36.9 | 0 | 0 | 0 | 113 | R322 F326 F327 | R322-N324 PolarHBondContact O-N 2.74Å; N324-F326 VanDerWaalsContact C-N 3.27Å; N324-F326 PolarHBondContact O-N 3.01Å; N324-F327 CarbonylContact O-C 3.59Å; N324-F327 VanDerWaalsContact O-C 3.28Å; N324-F327 PolarHBondContact O-N 3.17Å; N324-F327 VanDerWaalsContact O-O 3.1Å |
| 325 | S | 43.6 | Very low | 48.2 | Very low | 69 Ų | 69 | 87.4 Ų | 87.4 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.2 | 167.9 | 80.8 | 0 | 0 | 0 | 0 | 114 | D323 | D323-S325 PolarHBondContact O-N 2.77Å; D323-S325 VanDerWaalsContact OD1-CB 3.27Å; D323-S325 WeakPolarHBondContact OD1-CB 3.22Å; D323-S325 PolarHBondContact OD1-N 2.82Å; D323-S325 VanDerWaalsContact OD1-N 3.17Å; D323-S325 PolarHBondContact OD1-OG 2.84Å; D323-S325 PolarHBondContact OD2-OG 3.48Å |
| 326 | F | 42.9 | Very low | 47 | Very low | 90 Ų | 90 | 85.6 Ų | 85.6 | 40% | 0.395 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -28.5 | 177.2 | -121.2 | -89.4 | 0 | 0 | 0 | 112.5 | S223 N320 D323 N324 | S223-F326 WeakPolarHBondContact OG-CD1 3.3Å; S223-F326 VanDerWaalsContact OG-CE1 3.32Å; S223-F326 WeakPolarHBondContact OG-CE1 3.15Å; N320-F326 HydrophobicContact CB-CD2 4.25Å; N320-F326 HydrophobicContact CB-CE2 4.41Å; N320-F326 WeakPolarHBondContact O-CB 3.2Å; D323-F326 PolarHBondContact O-N 3.39Å; N324-F326 VanDerWaalsContact C-N 3.27Å; N324-F326 PolarHBondContact O-N 3.01Å |
| 327 | F | 51 | Low | 45.7 | Very low | 15 Ų | 15 | 80.5 Ų | 80.5 | 7% | 0.066 | 41% | 0.41 | C | S | . | . | trans | -109 | 77.2 | 175.8 | -50.6 | -59.1 | 0 | 0 | 0 | 110.6 | Y216 L321 N324 D329 F330 | Y216-F327 AromaticContact CD1-CE1 3.76Å; Y216-F327 HydrophobicContact CD1-CE1 3.76Å; Y216-F327 HydrophobicContact CD1-CZ 4.49Å; Y216-F327 HydrophobicContact CD2-CE1 4.15Å; Y216-F327 HydrophobicContact CD2-CZ 4.11Å; Y216-F327 AromaticContact CE1-CD1 3.72Å; Y216-F327 HydrophobicContact CE1-CD1 3.72Å; Y216-F327 AromaticContact CE1-CE1 3.2Å; Y216-F327 HydrophobicContact CE1-CE1 3.2Å; Y216-F327 HydrophobicContact CE1-CZ 4.09Å; Y216-F327 HydrophobicContact CE2-CD1 4.49Å; Y216-F327 AromaticContact CE2-CE1 3.65Å; Y216-F327 HydrophobicContact CE2-CE1 3.65Å; Y216-F327 AromaticContact CE2-CZ 3.67Å; Y216-F327 HydrophobicContact CE2-CZ 3.67Å; Y216-F327 HydrophobicContact CG-CE1 4.19Å; Y216-F327 HydrophobicContact CG-CZ 4.49Å; Y216-F327 AromaticContact CZ-CD1 3.64Å; Y216-F327 AromaticContact CZ-CE1 3.13Å; Y216-F327 AromaticContact CZ-CZ 3.64Å; Y216-F327 WeakPolarHBondContact OH-CD1 3.25Å; Y216-F327 WeakPolarHBondContact OH-CE1 3.45Å; L321-F327 HydrophobicContact CB-CE2 4.41Å; L321-F327 HydrophobicContact CD2-CE1 4.45Å; L321-F327 HydrophobicContact CD2-CE2 4.29Å; L321-F327 HydrophobicContact CD2-CZ 3.6Å; L321-F327 WeakPolarHBondContact O-CE2 3.46Å; N324-F327 CarbonylContact O-C 3.59Å; N324-F327 VanDerWaalsContact O-C 3.28Å; N324-F327 PolarHBondContact O-N 3.17Å; N324-F327 VanDerWaalsContact O-O 3.1Å; F327-D329 PolarHBondContact O-N 3.05Å; F327-F330 HydrophobicContact CB-CB 4.07Å; F327-F330 HydrophobicContact CB-CD2 3.27Å; F327-F330 HydrophobicContact CB-CE2 3.89Å; F327-F330 HydrophobicContact CB-CG 4.01Å; F327-F330 HydrophobicContact CD2-CD2 4.01Å; F327-F330 AromaticContact CD2-CE2 3.86Å; F327-F330 HydrophobicContact CD2-CE2 3.86Å; F327-F330 HydrophobicContact CE2-CE2 4.48Å; F327-F330 AromaticContact CG-CD2 3.81Å; F327-F330 HydrophobicContact CG-CD2 3.81Å; F327-F330 AromaticContact CG-CE2 3.9Å; F327-F330 HydrophobicContact CG-CE2 3.9Å; F327-F330 WeakPolarHBondContact O-CB 3.15Å; F327-F330 PolarHBondContact O-N 2.77Å | ||
| 328 | K | 42.6 | Very low | 44.4 | Very low | 189 Ų | 189 | 83.9 Ų | 83.9 | 82% | 0.822 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -18.9 | 175.7 | -75.2 | -175.5 | 176.8 | 179.8 | 0 | 114 | F330 | K328-F330 VanDerWaalsContact C-N 3.31Š|
| 329 | D | 42.9 | Very low | 43.1 | Very low | 145 Ų | 145 | 88 Ų | 88 | 78% | 0.775 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 11.3 | 174 | -59.1 | -28.3 | 0 | 0 | 0 | 113.8 | F327 G331 | F327-D329 PolarHBondContact O-N 3.05Å; D329-G331 VanDerWaalsContact C-N 3.32Å |
| 330 | F | 40 | Very low | 41.7 | Very low | 18 Ų | 18 | 84.9 Ų | 84.9 | 8% | 0.079 | 44% | 0.442 | C | S | . | . | trans | -95.1 | 23.6 | 170.9 | -97.2 | -104.8 | 0 | 0 | 0 | 112.9 | K214 I258 F327 K328 F332 | K214-F330 HydrophobicContact CD-CE2 3.61Å; K214-F330 HydrophobicContact CD-CZ 4.04Å; I258-F330 HydrophobicContact CD1-CD1 4.45Å; I258-F330 HydrophobicContact CD1-CE1 3.48Å; I258-F330 VanDerWaalsContact CD1-CE1 3.48Å; I258-F330 HydrophobicContact CD1-CZ 3.9Å; I258-F330 HydrophobicContact CG1-CE1 4.32Å; F327-F330 HydrophobicContact CB-CB 4.07Å; F327-F330 HydrophobicContact CB-CD2 3.27Å; F327-F330 HydrophobicContact CB-CE2 3.89Å; F327-F330 HydrophobicContact CB-CG 4.01Å; F327-F330 HydrophobicContact CD2-CD2 4.01Å; F327-F330 AromaticContact CD2-CE2 3.86Å; F327-F330 HydrophobicContact CD2-CE2 3.86Å; F327-F330 HydrophobicContact CE2-CE2 4.48Å; F327-F330 AromaticContact CG-CD2 3.81Å; F327-F330 HydrophobicContact CG-CD2 3.81Å; F327-F330 AromaticContact CG-CE2 3.9Å; F327-F330 HydrophobicContact CG-CE2 3.9Å; F327-F330 WeakPolarHBondContact O-CB 3.15Å; F327-F330 PolarHBondContact O-N 2.77Å; K328-F330 VanDerWaalsContact C-N 3.31Å; F330-F332 HydrophobicContact CD1-CD2 4.08Å; F330-F332 AromaticContact CD1-CE2 3.53Å; F330-F332 HydrophobicContact CD1-CE2 3.53Å; F330-F332 HydrophobicContact CD1-CZ 4.3Å; F330-F332 AromaticContact CE1-CE2 3.99Å; F330-F332 HydrophobicContact CE1-CE2 3.99Å; F330-F332 HydrophobicContact CE1-CZ 4.37Å; F330-F332 PolarHBondContact O-N 3.19Å | ||
| 331 | G | 31.1 | Very low | 40.6 | Very low | 52 Ų | 52 | 86.7 Ų | 86.7 | 54% | 0.536 | 45% | 0.446 | S | S | . | . | trans | -61.7 | 82.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | D329 F333 | D329-G331 VanDerWaalsContact C-N 3.32Å; G331-F333 VanDerWaalsContact C-N 3.28Å; G331-F333 PolarHBondContact O-N 3.46Å | ||
| 332 | F | 37.4 | Very low | 39.5 | Very low | 104 Ų | 104 | 92.2 Ų | 92.2 | 46% | 0.456 | 48% | 0.476 | S | S | . | . | trans | -55.9 | 93.4 | 166.1 | -85.5 | -87.6 | 0 | 0 | 0 | 107.4 | I258 F330 N334 | I258-F332 HydrophobicContact CD1-CE1 4.41Å; I258-F332 HydrophobicContact CD1-CZ 3.82Å; I258-F332 HydrophobicContact CG2-CE1 4.29Å; I258-F332 HydrophobicContact CG2-CZ 4.07Å; F330-F332 HydrophobicContact CD1-CD2 4.08Å; F330-F332 AromaticContact CD1-CE2 3.53Å; F330-F332 HydrophobicContact CD1-CE2 3.53Å; F330-F332 HydrophobicContact CD1-CZ 4.3Å; F330-F332 AromaticContact CE1-CE2 3.99Å; F330-F332 HydrophobicContact CE1-CE2 3.99Å; F330-F332 HydrophobicContact CE1-CZ 4.37Å; F330-F332 PolarHBondContact O-N 3.19Å; F332-N334 PolarHBondContact O-N 3.08Å | ||
| 333 | F | 33 | Very low | 38.4 | Very low | 140 Ų | 140 | 92.9 Ų | 92.9 | 61% | 0.614 | 49% | 0.488 | S | S | * | . | trans | -81.4 | 114.1 | 163.4 | -89.6 | -84.1 | 0 | 0 | 0 | 107 | G331 S335 D336 | G331-F333 VanDerWaalsContact C-N 3.28Å; G331-F333 PolarHBondContact O-N 3.46Å; F333-S335 PolarHBondContact O-N 3.04Å; F333-D336 PolarHBondContact O-N 3.02Å | ||
| 334 | N | 34.3 | Very low | 37.5 | Very low | 125 Ų | 125 | 94.1 Ų | 94.1 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -52 | -16.5 | 169 | -98 | -10.5 | 0 | 0 | 0 | 113.1 | F332 N338 | F332-N334 PolarHBondContact O-N 3.08Å; N334-N338 PolarHBondContact O-ND2 3.02Å |
| 335 | S | 33 | Very low | 36.3 | Very low | 61 Ų | 61 | 99.1 Ų | 99.1 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.5 | -32.7 | 173.5 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | F333 I337 N338 D339 | F333-S335 PolarHBondContact O-N 3.04Å; S335-I337 VanDerWaalsContact C-N 3.32Å; S335-I337 PolarHBondContact O-N 2.99Å; S335-N338 PolarHBondContact O-N 3.34Å; S335-D339 PolarHBondContact O-N 3.39Å; S335-D339 VanDerWaalsContact O-N 3.1Å |
| 336 | D | 37.5 | Very low | 35.9 | Very low | 92 Ų | 92 | 97.7 Ų | 97.7 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.3 | -27.9 | -178.4 | -65.5 | -17.8 | 0 | 0 | 0 | 111.5 | F333 L340 | F333-D336 PolarHBondContact O-N 3.02Å; D336-L340 VanDerWaalsContact O-CB 3.31Å; D336-L340 WeakPolarHBondContact O-CB 3.34Å; D336-L340 WeakPolarHBondContact O-CD1 3.1Å; D336-L340 PolarHBondContact O-N 3.19Å |
| 337 | I | 35.2 | Very low | 35.4 | Very low | 33 Ų | 33 | 101.8 Ų | 101.8 | 17% | 0.169 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -64.9 | -50.2 | 172.1 | -75.4 | 178.5 | 0 | 0 | 0 | 109.6 | S335 D339 L340 F341 | S335-I337 VanDerWaalsContact C-N 3.32Å; S335-I337 PolarHBondContact O-N 2.99Å; I337-D339 VanDerWaalsContact C-N 3.35Å; I337-D339 PolarHBondContact O-N 2.85Å; I337-L340 PolarHBondContact O-N 2.89Å; I337-F341 HydrophobicContact CB-CD2 4.38Å; I337-F341 HydrophobicContact CB-CE2 4.47Å; I337-F341 HydrophobicContact CG2-CD2 3.56Å; I337-F341 HydrophobicContact CG2-CE2 3.7Å; I337-F341 WeakPolarHBondContact O-CB 3.37Å; I337-F341 WeakPolarHBondContact O-CD2 3.4Å; I337-F341 PolarHBondContact O-N 2.98Å |
| 338 | N | 31.6 | Very low | 34.7 | Very low | 95 Ų | 95 | 106.9 Ų | 106.9 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 179.8 | -65.3 | -27.4 | 0 | 0 | 0 | 112.3 | N334 S335 L340 F341 D342 | N334-N338 PolarHBondContact O-ND2 3.02Å; S335-N338 PolarHBondContact O-N 3.34Å; N338-L340 PolarHBondContact O-N 3.01Å; N338-F341 PolarHBondContact O-N 3.08Å; N338-D342 VanDerWaalsContact O-CB 3.26Å; N338-D342 WeakPolarHBondContact O-CB 3.16Å; N338-D342 PolarHBondContact O-N 2.77Å |
| 339 | D | 33.2 | Very low | 34.2 | Very low | 104 Ų | 104 | 102.3 Ų | 102.3 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.5 | -27.6 | 175.5 | -82.6 | -17.6 | 0 | 0 | 0 | 113.4 | S335 I337 N343 | S335-D339 PolarHBondContact O-N 3.39Å; S335-D339 VanDerWaalsContact O-N 3.1Å; I337-D339 VanDerWaalsContact C-N 3.35Å; I337-D339 PolarHBondContact O-N 2.85Å; D339-N343 PolarHBondContact O-ND2 3Å |
| 340 | L | 33.4 | Very low | 33.5 | Very low | 83 Ų | 83 | 105.7 Ų | 105.7 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -80.5 | -23 | 171.4 | -107 | 104.7 | 0 | 0 | 0 | 113.6 | D336 I337 N338 F344 | D336-L340 VanDerWaalsContact O-CB 3.31Å; D336-L340 WeakPolarHBondContact O-CB 3.34Å; D336-L340 WeakPolarHBondContact O-CD1 3.1Å; D336-L340 PolarHBondContact O-N 3.19Å; I337-L340 PolarHBondContact O-N 2.89Å; N338-L340 PolarHBondContact O-N 3.01Å; L340-F344 HydrophobicContact CG-CE2 4.38Å; L340-F344 WeakPolarHBondContact O-CD2 3.3Å |
| 341 | F | 34 | Very low | 33.2 | Very low | 107 Ų | 107 | 110.1 Ų | 110.1 | 47% | 0.469 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -95.6 | -27.8 | 179 | -74.6 | -68.5 | 0 | 0 | 0 | 112.5 | I337 N338 N343 | I337-F341 HydrophobicContact CB-CD2 4.38Å; I337-F341 HydrophobicContact CB-CE2 4.47Å; I337-F341 HydrophobicContact CG2-CD2 3.56Å; I337-F341 HydrophobicContact CG2-CE2 3.7Å; I337-F341 WeakPolarHBondContact O-CB 3.37Å; I337-F341 WeakPolarHBondContact O-CD2 3.4Å; I337-F341 PolarHBondContact O-N 2.98Å; N338-F341 PolarHBondContact O-N 3.08Å; F341-N343 PolarHBondContact O-N 2.83Å |
| 342 | D | 32.6 | Very low | 33.3 | Very low | 132 Ų | 132 | 113.1 Ų | 113.1 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -12.2 | 179.5 | -77.6 | -21.7 | 0 | 0 | 0 | 114 | N338 | N338-D342 VanDerWaalsContact O-CB 3.26Å; N338-D342 WeakPolarHBondContact O-CB 3.16Å; N338-D342 PolarHBondContact O-N 2.77Å |
| 343 | N | 32.8 | Very low | 33.1 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 66% | 0.658 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 8 | -177.5 | -71.7 | -56.5 | 0 | 0 | 0 | 114.9 | D339 F341 | D339-N343 PolarHBondContact O-ND2 3Å; F341-N343 PolarHBondContact O-N 2.83Å |
| 344 | F | 32.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | trans | -119.8 | 82.8 | -178 | -75.7 | -96 | 0 | 0 | 0 | 111.3 | L340 N346 | L340-F344 HydrophobicContact CG-CE2 4.38Å; L340-F344 WeakPolarHBondContact O-CD2 3.3Å; F344-N346 VanDerWaalsContact C-N 3.28Å; F344-N346 PolarHBondContact O-N 2.78Å | ||
| 345 | E | 26.7 | Very low | 33 | Very low | 192 Ų | 192 | 111.3 Ų | 111.3 | 90% | 0.897 | 56% | 0.56 | S | S | * | * | trans | -71.6 | 91.9 | 146.7 | -77.6 | 179.7 | 162.8 | 0 | 0 | 106.5 | E347 | E345-E347 PolarHBondContact O-N 2.63Š| ||
| 346 | N | 35.9 | Very low | 33 | Very low | 40 Ų | 40 | 114.6 Ų | 114.6 | 21% | 0.214 | 57% | 0.569 | C | S | . | * | trans | -80.9 | 98.8 | 173.7 | -161.9 | -0.7 | 0 | 0 | 0 | 107.9 | F344 Y348 L349 | F344-N346 VanDerWaalsContact C-N 3.28Å; F344-N346 PolarHBondContact O-N 2.78Å; N346-Y348 PolarHBondContact O-N 3.05Å; N346-L349 HydrophobicContact CB-CB 4.27Å; N346-L349 HydrophobicContact CB-CD1 4.01Å; N346-L349 HydrophobicContact CB-CG 4.18Å; N346-L349 VanDerWaalsContact ND2-CD1 3.31Å; N346-L349 WeakPolarHBondContact ND2-CD1 3.4Å; N346-L349 WeakPolarHBondContact ND2-CG 3.33Å; N346-L349 PolarHBondContact O-N 3.11Å | ||
| 347 | E | 31.6 | Very low | 32.7 | Very low | 176 Ų | 176 | 116.2 Ų | 116.2 | 82% | 0.822 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 0.2 | 174.5 | -71.1 | -175.2 | 160.7 | 0 | 0 | 113.6 | E345 | E345-E347 PolarHBondContact O-N 2.63Š|
| 348 | Y | 36.3 | Very low | 32.5 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 48% | 0.475 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.1 | 3.6 | 176.3 | -61.9 | -80.3 | 0 | 0 | 0 | 113.8 | N346 | N346-Y348 PolarHBondContact O-N 3.05Š|
| 349 | L | 32.7 | Very low | 32.6 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | trans | -121.6 | 65.9 | 174.3 | -66.8 | 173.8 | 0 | 0 | 0 | 109.8 | N346 | N346-L349 HydrophobicContact CB-CB 4.27Å; N346-L349 HydrophobicContact CB-CD1 4.01Å; N346-L349 HydrophobicContact CB-CG 4.18Å; N346-L349 VanDerWaalsContact ND2-CD1 3.31Å; N346-L349 WeakPolarHBondContact ND2-CD1 3.4Å; N346-L349 WeakPolarHBondContact ND2-CG 3.33Å; N346-L349 PolarHBondContact O-N 3.11Å | ||
| 350 | D | 29.3 | Very low | 32.5 | Very low | 215 Ų | 215 | 126.8 Ų | 126.8 | 100% | 1.15 | 62% | 0.619 | S | S | * | * | trans | -127.6 | 0 | 158.2 | -94 | -25.9 | 0 | 0 | 0 | 109.1 |
Retrieved 350 of 350 residues in 169 ms
(Link to these results)