| 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 | 37.2 | Very low | 32.2 | Very low | 233 Ų | 233 | 179.2 Ų | 179.2 | 100% | 1.148 | 85% | 0.852 | S | S | * | * | 0 | 113.4 | 0 | -81 | 177.6 | -176.5 | 0 | 0 | 108.1 | |||||
| 2 | F | 35.2 | Very low | 31.7 | Very low | 212 Ų | 212 | 182.8 Ų | 182.8 | 93% | 0.93 | 86% | 0.862 | S | S | * | * | -178.7 | 112.6 | 126.3 | -103.6 | -75.6 | 0 | 0 | 0 | 107 | |||||
| 3 | A | 31.4 | Very low | 31.4 | Very low | 85 Ų | 85 | 173.8 Ų | 173.8 | 70% | 0.702 | 85% | 0.849 | S | S | * | * | trans | -83.2 | 139.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4 | L | 38.6 | Very low | 31.2 | Very low | 179 Ų | 179 | 172.5 Ų | 172.5 | 94% | 0.937 | 85% | 0.848 | S | S | * | * | trans | -136.4 | 98.2 | 152.2 | -88.7 | 166.3 | 0 | 0 | 0 | 108 | ||||
| 5 | R | 30.8 | Very low | 31.2 | Very low | 239 Ų | 239 | 176.9 Ų | 176.9 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | trans | -73.9 | 116.2 | 165.1 | -75.7 | 178.7 | 171.9 | -175.3 | -2.2 | 107.7 | ||||
| 6 | G | 36.7 | Very low | 31.2 | Very low | 70 Ų | 70 | 179.5 Ų | 179.5 | 72% | 0.722 | 85% | 0.851 | S | S | * | * | trans | -119.6 | 102.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L8 | G6-L8 PolarHBondContact O-N 3.03Š| ||
| 7 | H | 28.6 | Very low | 31.3 | Very low | 173 Ų | 173 | 175.1 Ų | 175.1 | 80% | 0.801 | 84% | 0.843 | S | S | * | * | trans | -72.1 | 117.9 | 168.1 | -88.3 | -74.3 | 0 | 0 | 0 | 109.4 | ||||
| 8 | L | 32.9 | Very low | 31.3 | Very low | 157 Ų | 157 | 172.6 Ų | 172.6 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | -121.9 | 101.5 | 153.4 | -95 | 103.2 | 0 | 0 | 0 | 109.1 | G6 Y10 | G6-L8 PolarHBondContact O-N 3.03Å; L8-Y10 HydrophobicContact CD2-CD2 4.47Å | ||
| 9 | R | 23.7 | Very low | 31.5 | Very low | 230 Ų | 230 | 171.9 Ų | 171.9 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | trans | -79.2 | 113.3 | 157 | -80.8 | 178.3 | 169.8 | -170.8 | -2.5 | 107 | ||||
| 10 | Y | 30.7 | Very low | 31.6 | Very low | 191 Ų | 191 | 170.9 Ų | 170.9 | 75% | 0.749 | 83% | 0.833 | S | S | * | * | trans | -139.7 | 110.3 | 154.6 | -95.1 | -92.5 | 0 | 0 | 0 | 111.2 | L8 | L8-Y10 HydrophobicContact CD2-CD2 4.47Š| ||
| 11 | Y | 29 | Very low | 31.7 | Very low | 202 Ų | 202 | 172.5 Ų | 172.5 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | trans | 59.4 | 104.9 | 144.2 | -72.9 | -101.5 | 0 | 0 | 0 | 121 | G13 | Y11-G13 PolarHBondContact O-N 3.44Š| ||
| 12 | F | 25.9 | Very low | 31.9 | Very low | 222 Ų | 222 | 170.1 Ų | 170.1 | 97% | 0.974 | 82% | 0.816 | S | S | * | * | trans | -56.2 | 119.8 | 146.1 | -83.5 | -97.6 | 0 | 0 | 0 | 109.9 | ||||
| 13 | G | 27.2 | Very low | 32 | Very low | 67 Ų | 67 | 165.3 Ų | 165.3 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -152.6 | 93.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y11 | Y11-G13 PolarHBondContact O-N 3.44Š| ||
| 14 | N | 29.5 | Very low | 33.1 | Very low | 155 Ų | 155 | 166.9 Ų | 166.9 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | 54.7 | 118 | 159.7 | -80.8 | -16.5 | 0 | 0 | 0 | 121.5 | Y16 | N14-Y16 PolarHBondContact O-N 3.16Š| ||
| 15 | R | 30.1 | Very low | 34.7 | Very low | 238 Ų | 238 | 165.3 Ų | 165.3 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -49.8 | 113.5 | 159.2 | -64.1 | 174.5 | -172.9 | 176.8 | 1.3 | 110 | C17 | R15-C17 PolarHBondContact O-N 3.07Å; R15-C17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | Y | 32.6 | Very low | 37.2 | Very low | 219 Ų | 219 | 159.5 Ų | 159.5 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 98.3 | 157.4 | -73.8 | -88.3 | 0 | 0 | 0 | 107.5 | N14 V18 | N14-Y16 PolarHBondContact O-N 3.16Å; Y16-V18 PolarHBondContact O-N 3.26Å; Y16-V18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | C | 32.2 | Very low | 39.7 | Very low | 104 Ų | 104 | 156.7 Ų | 156.7 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | trans | -63 | 109.7 | 162.1 | -83.9 | 0 | 0 | 0 | 0 | 107.7 | R15 H19 | R15-C17 PolarHBondContact O-N 3.07Å; R15-C17 VanDerWaalsContact O-N 3.1Å; C17-H19 PolarHBondContact O-N 3.23Å | ||
| 18 | V | 31.6 | Very low | 42.8 | Very low | 130 Ų | 130 | 150.8 Ų | 150.8 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | trans | -65.4 | 87 | 167.2 | -173.7 | 0 | 0 | 0 | 0 | 107.1 | Y16 N20 | Y16-V18 PolarHBondContact O-N 3.26Å; Y16-V18 VanDerWaalsContact O-N 3.11Å; V18-N20 PolarHBondContact O-N 3.44Å | ||
| 19 | H | 35.4 | Very low | 45.9 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 75% | 0.745 | 69% | 0.686 | S | S | * | * | trans | -81.9 | 99.2 | 163 | -94.3 | 11.4 | 0 | 0 | 0 | 108 | C17 R21 | C17-H19 PolarHBondContact O-N 3.23Å; H19-R21 PolarHBondContact O-N 3.34Å | ||
| 20 | N | 33 | Very low | 49.5 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 64% | 0.644 | S | S | * | * | trans | -63.9 | 71.8 | 170 | -147.8 | 11.9 | 0 | 0 | 0 | 109.2 | V18 | V18-N20 PolarHBondContact O-N 3.44Š| ||
| 21 | R | 34.2 | Very low | 52.7 | Low | 206 Ų | 206 | 123.3 Ų | 123.3 | 78% | 0.777 | 61% | 0.609 | S | S | * | * | trans | -101.1 | 100.2 | 155.6 | -70.2 | -173.8 | -174.7 | -168.3 | 1.9 | 104.4 | H19 C23 | H19-R21 PolarHBondContact O-N 3.34Å; R21-C23 PolarHBondContact O-N 2.75Å | ||
| 22 | Q | 39.8 | Very low | 56 | Low | 183 Ų | 183 | 113.7 Ų | 113.7 | 86% | 0.855 | 57% | 0.571 | S | S | * | * | trans | -51.6 | 102 | 151.1 | -89.9 | 170.3 | -32.4 | 0 | 0 | 104.8 | S24 | Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.02Å | ||
| 23 | C | 38.6 | Very low | 59.5 | Low | 110 Ų | 110 | 103.2 Ų | 103.2 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | trans | -56.5 | 103 | 165.3 | -110.4 | 0 | 0 | 0 | 0 | 103.8 | R21 Q25 | R21-C23 PolarHBondContact O-N 2.75Å; C23-Q25 PolarHBondContact O-N 3.04Å | ||
| 24 | S | 53.3 | Low | 62.9 | Low | 118 Ų | 118 | 100 Ų | 100 | 83% | 0.825 | 49% | 0.493 | S | S | * | . | trans | -68.8 | 79.1 | 172 | 60.9 | 0 | 0 | 0 | 0 | 105.9 | Q22 K26 | Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.02Å; S24-K26 PolarHBondContact O-N 3.44Å; S24-K26 VanDerWaalsContact O-N 3.15Å | ||
| 25 | Q | 72.4 | Confident | 66.1 | Low | 147 Ų | 147 | 93.3 Ų | 93.3 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 123.9 | 173.4 | -76.1 | -171.2 | -10.3 | 0 | 0 | 106.3 | C23 A27 P116 | C23-Q25 PolarHBondContact O-N 3.04Å; Q25-A27 PolarHBondContact O-N 2.83Å; Q25-P116 HydrophobicContact CB-CG 3.88Å |
| 26 | K | 84.4 | Confident | 69.2 | Low | 116 Ų | 116 | 84.2 Ų | 84.2 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 128.2 | 175.1 | -178.4 | -169.6 | 176.7 | -161.1 | 0 | 109.1 | S24 K28 P116 D140 G141 | S24-K26 PolarHBondContact O-N 3.44Å; S24-K26 VanDerWaalsContact O-N 3.15Å; K26-K28 PolarHBondContact O-N 3.39Å; K26-P116 WeakPolarHBondContact O-CG 3.41Å; K26-D140 WeakPolarHBondContact CG-O 3.4Å; K26-G141 WeakPolarHBondContact CE-O 3.22Å; K26-G141 PolarHBondContact NZ-O 2.99Å |
| 27 | A | 87.8 | Confident | 72.2 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 10% | 0.099 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 122.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q25 P116 R118 V142 | Q25-A27 PolarHBondContact O-N 2.83Å; A27-P116 WeakPolarHBondContact CA-O 3.48Å; A27-R118 HydrophobicContact CB-CB 3.85Å; A27-V142 HydrophobicContact CB-CG2 4.31Å |
| 28 | K | 94.7 | Very high | 75.3 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 21% | 0.213 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -76.3 | -43.8 | 176.5 | -171.5 | -174 | -65.1 | 179.2 | 0 | 109.8 | K26 E113 P116 E143 R144 W405 | K26-K28 PolarHBondContact O-N 3.39Å; K28-E113 PolarHBondContact NZ-O 2.9Å; K28-P116 PolarHBondContact N-O 2.77Å; K28-E143 WeakPolarHBondContact CG-OE2 3.3Å; K28-E143 WeakPolarHBondContact O-CB 3.36Å; K28-E143 PolarHBondContact O-N 3.44Å; K28-E143 VanDerWaalsContact O-N 3.1Å; K28-R144 PolarHBondContact O-N 3.4Å; K28-W405 HydrophobicContact CD-CZ2 4.22Å; K28-W405 HydrophobicContact CG-CZ2 4.2Å |
| 29 | T | 98.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.1 | -176.9 | -46.8 | 0 | 0 | 0 | 0 | 110.7 | I31 T114 H117 R118 R144 L366 W405 | T29-I31 HydrophobicContact CG2-CD1 4Å; T29-T114 WeakPolarHBondContact CB-O 3.3Å; T29-T114 PolarHBondContact OG1-O 3.11Å; T29-H117 VanDerWaalsContact O-CA 3.32Å; T29-H117 WeakPolarHBondContact O-CA 3.26Å; T29-R118 PolarHBondContact O-N 3.33Å; T29-R118 VanDerWaalsContact O-N 3.09Å; T29-R144 CarbonylContact C-O 3.5Å; T29-R144 WeakPolarHBondContact CA-O 3.2Å; T29-L366 HydrophobicContact CG2-CD1 4.24Å; T29-L366 HydrophobicContact CG2-CD2 3.96Å; T29-W405 WeakPolarHBondContact OG1-CH2 3.32Å; T29-W405 WeakPolarHBondContact OG1-CZ2 3.43Å |
| 30 | G | 98.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R118 R144 V145 V146 | G30-R118 CarbonylContact C-O 3.54Å; G30-R118 WeakPolarHBondContact CA-O 3.31Å; G30-R144 PolarHBondContact N-O 2.84Å; G30-V145 CarbonylContact O-C 3.5Å; G30-V145 VanDerWaalsContact O-CA 3.26Å; G30-V145 WeakPolarHBondContact O-CA 3.41Å; G30-V146 PolarHBondContact O-N 2.78Å |
| 31 | I | 98.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 105.6 | 177.1 | -44.5 | -55.1 | 0 | 0 | 0 | 108.7 | T29 L33 M103 I104 L107 R118 F119 Y120 V146 F148 V362 | T29-I31 HydrophobicContact CG2-CD1 4Å; I31-L33 HydrophobicContact CG2-CD2 4.12Å; I31-L33 PolarHBondContact O-N 3.45Å; I31-M103 HydrophobicContact CB-CE 3.9Å; I31-M103 HydrophobicContact CG1-CE 4.23Å; I31-M103 HydrophobicContact CG2-CE 3.64Å; I31-M103 HydrophobicContact CG2-SD 4.18Å; I31-I104 HydrophobicContact CG1-CD1 4.05Å; I31-L107 HydrophobicContact CD1-CD2 4.39Å; I31-L107 HydrophobicContact CG1-CD2 4.35Å; I31-R118 PolarHBondContact N-O 3.24Å; I31-F119 CarbonylContact O-C 3.53Å; I31-F119 VanDerWaalsContact O-CA 3.25Å; I31-F119 WeakPolarHBondContact O-CA 3.27Å; I31-Y120 PolarHBondContact O-N 3.23Å; I31-V146 HydrophobicContact CD1-CB 3.93Å; I31-V146 HydrophobicContact CD1-CG2 3.98Å; I31-F148 HydrophobicContact CG2-CB 4.03Å; I31-F148 HydrophobicContact CG2-CD1 3.93Å; I31-V362 HydrophobicContact CD1-CG1 3.59Å; I31-V362 HydrophobicContact CG1-CG1 4.35Å; I31-V362 HydrophobicContact CG2-CG2 4.26Å |
| 32 | M | 98.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 102.6 | -178.4 | -176.3 | -177.8 | -171.4 | 0 | 0 | 109.8 | L34 Y120 A122 V130 C133 V134 I137 V145 V146 F148 V166 W197 | M32-L34 HydrophobicContact CE-CD2 3.86Å; M32-L34 HydrophobicContact CG-CD2 4.09Å; M32-L34 HydrophobicContact CG-CG 4.41Å; M32-L34 PolarHBondContact O-N 2.84Å; M32-L34 HydrophobicContact SD-CD2 4.08Å; M32-Y120 CarbonylContact C-O 3.55Å; M32-Y120 WeakPolarHBondContact CA-O 3.49Å; M32-A122 HydrophobicContact CE-CB 3.23Å; M32-A122 HydrophobicContact CG-CB 3.59Å; M32-A122 HydrophobicContact SD-CB 4.23Å; M32-V130 HydrophobicContact CE-CB 4.24Å; M32-V130 HydrophobicContact CE-CG1 3.76Å; M32-V130 HydrophobicContact CE-CG2 4.35Å; M32-C133 HydrophobicContact CE-CB 4.12Å; M32-V134 HydrophobicContact CE-CG2 4.08Å; M32-I137 HydrophobicContact CB-CD1 4.2Å; M32-I137 HydrophobicContact CG-CD1 4.31Å; M32-I137 HydrophobicContact SD-CD1 4.14Å; M32-V145 HydrophobicContact CB-CG1 4.17Å; M32-V146 PolarHBondContact N-O 3.42Å; M32-F148 PolarHBondContact O-N 2.89Å; M32-V166 HydrophobicContact CE-CG2 3.94Å; M32-V166 HydrophobicContact SD-CG2 4.18Å; M32-W197 HydrophobicContact SD-CH2 3.66Å; M32-W197 HydrophobicContact SD-CZ3 3.66Å |
| 33 | L | 98.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 101.9 | -179.8 | -56.5 | 179 | 0 | 0 | 0 | 109.9 | I31 T96 M103 F119 Y120 A122 F148 Q150 | I31-L33 HydrophobicContact CG2-CD2 4.12Å; I31-L33 PolarHBondContact O-N 3.45Å; L33-T96 HydrophobicContact CB-CG2 4.07Å; L33-T96 HydrophobicContact CD1-CG2 3.8Å; L33-M103 HydrophobicContact CD2-CE 3.89Å; L33-M103 HydrophobicContact CD2-SD 4.43Å; L33-F119 HydrophobicContact CD1-CB 4.2Å; L33-F119 HydrophobicContact CD1-CD2 3.88Å; L33-F119 HydrophobicContact CD1-CG 4.34Å; L33-F119 HydrophobicContact CG-CB 4.45Å; L33-Y120 PolarHBondContact N-O 2.86Å; L33-A122 PolarHBondContact O-N 2.62Å; L33-F148 HydrophobicContact CD2-CB 4.43Å; L33-F148 HydrophobicContact CD2-CD1 4Å; L33-F148 HydrophobicContact CD2-CG 4.5Å; L33-Q150 HydrophobicContact CB-CG 4.17Å |
| 34 | L | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.1 | -175.8 | -66.7 | 170.6 | 0 | 0 | 0 | 111.5 | M32 A122 V130 A147 F148 Q150 V166 F199 | M32-L34 HydrophobicContact CE-CD2 3.86Å; M32-L34 HydrophobicContact CG-CD2 4.09Å; M32-L34 HydrophobicContact CG-CG 4.41Å; M32-L34 PolarHBondContact O-N 2.84Å; M32-L34 HydrophobicContact SD-CD2 4.08Å; L34-A122 WeakPolarHBondContact CA-O 3.42Å; L34-A122 HydrophobicContact CD2-CB 3.9Å; L34-V130 HydrophobicContact CD2-CG2 4.14Å; L34-A147 HydrophobicContact CD1-CB 3.86Å; L34-F148 PolarHBondContact N-O 2.99Å; L34-Q150 WeakPolarHBondContact O-CB 3.24Å; L34-Q150 PolarHBondContact O-N 3.35Å; L34-V166 HydrophobicContact CD2-CG2 4.46Å; L34-F199 HydrophobicContact CD1-CE2 3.94Å |
| 35 | N | 97.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 170.9 | 172.7 | -153.8 | -50.7 | 0 | 0 | 0 | 110 | G37 A122 F123 R124 Q150 Y151 | N35-G37 VanDerWaalsContact C-N 3.28Å; N35-A122 PolarHBondContact N-O 2.92Å; N35-F123 HydrophobicContact CB-CD1 3.75Å; N35-F123 HydrophobicContact CB-CE1 3.67Å; N35-F123 VanDerWaalsContact O-CA 3.28Å; N35-F123 WeakPolarHBondContact O-CA 3.41Å; N35-R124 PolarHBondContact O-N 3.47Å; N35-R124 VanDerWaalsContact O-N 3.1Å; N35-Q150 HydrophobicContact CB-CB 4.49Å; N35-Y151 PolarHBondContact OD1-OH 3.15Å; N35-Y151 VanDerWaalsContact OD1-OH 3.12Å |
| 36 | M | 94.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 23% | 0.232 | 18% | 0.179 | C | C | . | . | trans | -69.9 | -33.6 | 171.2 | -84.2 | 169.6 | 85 | 0 | 0 | 110.4 | L52 I58 R124 Y125 Y151 | M36-L52 HydrophobicContact CE-CD1 3.84Å; M36-I58 HydrophobicContact CE-CD1 3.98Å; M36-R124 PolarHBondContact O-N 3.02Å; M36-Y125 HydrophobicContact CB-CD2 4.26Å; M36-Y125 HydrophobicContact CB-CE2 4.43Å; M36-Y125 HydrophobicContact CE-CD2 4.2Å; M36-Y125 HydrophobicContact CE-CE2 3.68Å; M36-Y125 HydrophobicContact CG-CD2 4.27Å; M36-Y125 HydrophobicContact CG-CE2 3.93Å; M36-Y125 PolarHBondContact O-N 2.97Å; M36-Y151 WeakPolarHBondContact CB-OH 3.34Å; M36-Y151 WeakPolarHBondContact CG-OH 3.4Å; M36-Y151 PolarHBondContact N-OH 3.36Å | ||
| 37 | G | 96.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | trans | 78.6 | -179.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N35 F123 | N35-G37 VanDerWaalsContact C-N 3.28Å; G37-F123 VanDerWaalsContact CA-CG 3.48Å | ||
| 38 | G | 96.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | trans | -156.5 | 148.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E40 | G38-E40 PolarHBondContact O-N 2.96Š| ||
| 39 | P | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -57.5 | 126 | -177.1 | 25.1 | -34.5 | 0 | 0 | 0 | 111.2 | T41 E44 V45 F48 Y83 G89 S90 | P39-T41 PolarHBondContact O-N 3.01Å; P39-E44 HydrophobicContact CB-CB 3.64Å; P39-V45 HydrophobicContact CB-CG2 4.15Å; P39-V45 HydrophobicContact CG-CG2 3.75Å; P39-F48 HydrophobicContact CB-CB 4.42Å; P39-F48 HydrophobicContact CG-CB 4.42Å; P39-F48 HydrophobicContact CG-CD1 4.38Å; P39-F48 HydrophobicContact CG-CG 4.38Å; P39-Y83 WeakPolarHBondContact CD-OH 3.4Å; P39-Y83 HydrophobicContact CG-CD2 4.02Å; P39-Y83 HydrophobicContact CG-CE1 4.17Å; P39-Y83 HydrophobicContact CG-CE2 3.47Å; P39-Y83 VanDerWaalsContact CG-CE2 3.47Å; P39-G89 CarbonylContact O-C 3.55Å; P39-G89 WeakPolarHBondContact O-CA 3.48Å; P39-S90 PolarHBondContact O-N 3.22Å | ||
| 40 | E | 96 | Very high | 95.8 | Very high | 93 Ų | 93 | 33.9 Ų | 33.9 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -70 | -22.7 | 178.6 | -71.6 | -170.8 | 91.7 | 0 | 0 | 111.6 | G38 E44 G89 L93 | G38-E40 PolarHBondContact O-N 2.96Å; E40-E44 PolarHBondContact N-OE2 3.26Å; E40-G89 WeakPolarHBondContact O-CA 3.47Å; E40-L93 HydrophobicContact CG-CB 4.16Å; E40-L93 HydrophobicContact CG-CD2 4.05Å; E40-L93 WeakPolarHBondContact OE1-CD2 3.33Å; E40-L93 WeakPolarHBondContact OE2-CD2 3.37Å |
| 41 | T | 97.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 37% | 0.368 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -136.5 | 153.9 | 176.6 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | P39 K43 E44 G88 | P39-T41 PolarHBondContact O-N 3.01Å; T41-K43 PolarHBondContact O-N 3.45Å; T41-K43 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact O-CB 3.27Å; T41-E44 PolarHBondContact O-N 3.19Å; T41-G88 CarbonylContact C-O 3.49Å; T41-G88 VanDerWaalsContact CA-O 3.32Å; T41-G88 WeakPolarHBondContact CA-O 3.46Å |
| 42 | T | 95.5 | Very high | 95.1 | Very high | 39 Ų | 39 | 35.5 Ų | 35.5 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -54.1 | -31 | 174.8 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | E44 V45 G88 | T42-E44 PolarHBondContact O-N 3.36Å; T42-V45 VanDerWaalsContact O-CB 3.3Å; T42-V45 WeakPolarHBondContact O-CB 3.37Å; T42-V45 VanDerWaalsContact O-CG2 3.24Å; T42-V45 WeakPolarHBondContact O-CG2 3.09Å; T42-V45 PolarHBondContact O-N 2.85Å; T42-G88 WeakPolarHBondContact CG2-O 3.33Å; T42-G88 PolarHBondContact N-O 2.96Å |
| 43 | K | 94.4 | Very high | 94.6 | Very high | 184 Ų | 184 | 36.1 Ų | 36.1 | 80% | 0.8 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -64.5 | -23 | 178.2 | -64.1 | 180 | -178.7 | 176.2 | 0 | 113.5 | T41 | T41-K43 PolarHBondContact O-N 3.45Å; T41-K43 VanDerWaalsContact O-N 3.09Å |
| 44 | E | 94.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -86.8 | -13 | 179.6 | -69.3 | 168.7 | -167.7 | 0 | 0 | 113.1 | P39 E40 T41 T42 Q46 N47 F48 | P39-E44 HydrophobicContact CB-CB 3.64Å; E40-E44 PolarHBondContact N-OE2 3.26Å; T41-E44 WeakPolarHBondContact O-CB 3.27Å; T41-E44 PolarHBondContact O-N 3.19Å; T42-E44 PolarHBondContact O-N 3.36Å; E44-Q46 VanDerWaalsContact C-N 3.32Å; E44-Q46 PolarHBondContact O-N 3.18Å; E44-N47 PolarHBondContact O-N 3.42Å; E44-N47 VanDerWaalsContact O-N 3.1Å; E44-F48 PolarHBondContact O-N 3.3Å |
| 45 | V | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.6 | -45.3 | -173.6 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | P39 T42 N47 F48 L49 I79 E80 Y83 | P39-V45 HydrophobicContact CB-CG2 4.15Å; P39-V45 HydrophobicContact CG-CG2 3.75Å; T42-V45 VanDerWaalsContact O-CB 3.3Å; T42-V45 WeakPolarHBondContact O-CB 3.37Å; T42-V45 VanDerWaalsContact O-CG2 3.24Å; T42-V45 WeakPolarHBondContact O-CG2 3.09Å; T42-V45 PolarHBondContact O-N 2.85Å; V45-N47 VanDerWaalsContact C-N 3.34Å; V45-N47 PolarHBondContact O-N 2.99Å; V45-F48 WeakPolarHBondContact O-CB 3.48Å; V45-F48 PolarHBondContact O-N 3.24Å; V45-L49 HydrophobicContact CG1-CD1 3.82Å; V45-L49 HydrophobicContact CG1-CG 4.15Å; V45-L49 WeakPolarHBondContact O-CB 3.25Å; V45-L49 VanDerWaalsContact O-CG 3.3Å; V45-L49 WeakPolarHBondContact O-CG 3.44Å; V45-L49 PolarHBondContact O-N 3.13Å; V45-I79 HydrophobicContact CG1-CB 3.83Å; V45-I79 HydrophobicContact CG1-CG2 3.63Å; V45-E80 HydrophobicContact CB-CG 3.74Å; V45-E80 HydrophobicContact CG1-CG 3.94Å; V45-E80 HydrophobicContact CG2-CG 3.88Å; V45-Y83 HydrophobicContact CG2-CD2 3.58Å; V45-Y83 HydrophobicContact CG2-CE2 4.06Å; V45-Y83 HydrophobicContact CG2-CG 4.43Å |
| 46 | Q | 93.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 42.1 Ų | 42.1 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | -179.3 | -175.3 | 175.1 | -18.6 | 0 | 0 | 112.5 | E44 T50 S76 | E44-Q46 VanDerWaalsContact C-N 3.32Å; E44-Q46 PolarHBondContact O-N 3.18Å; Q46-T50 WeakPolarHBondContact O-CB 3.31Å; Q46-T50 PolarHBondContact O-N 3.47Å; Q46-T50 PolarHBondContact O-OG1 2.89Å; Q46-S76 VanDerWaalsContact CA-OG 3.31Å; Q46-S76 WeakPolarHBondContact CA-OG 3.21Å; Q46-S76 WeakPolarHBondContact CB-OG 2.99Å |
| 47 | N | 92.7 | Very high | 91.6 | Very high | 76 Ų | 76 | 41.4 Ų | 41.4 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.8 | -42.2 | 177.7 | -74.7 | -17.7 | 0 | 0 | 0 | 111.1 | E44 V45 T50 R51 V180 | E44-N47 PolarHBondContact O-N 3.42Å; E44-N47 VanDerWaalsContact O-N 3.1Å; V45-N47 VanDerWaalsContact C-N 3.34Å; V45-N47 PolarHBondContact O-N 2.99Å; N47-T50 PolarHBondContact O-N 2.8Å; N47-R51 PolarHBondContact O-N 2.66Å; N47-V180 HydrophobicContact CB-CG1 4.35Å |
| 48 | F | 93.8 | Very high | 90.7 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.9 | -52.4 | 173.3 | 168.7 | -102.5 | 0 | 0 | 0 | 111.6 | P39 E44 V45 T50 R51 L52 Y125 V126 | P39-F48 HydrophobicContact CB-CB 4.42Å; P39-F48 HydrophobicContact CG-CB 4.42Å; P39-F48 HydrophobicContact CG-CD1 4.38Å; P39-F48 HydrophobicContact CG-CG 4.38Å; E44-F48 PolarHBondContact O-N 3.3Å; V45-F48 WeakPolarHBondContact O-CB 3.48Å; V45-F48 PolarHBondContact O-N 3.24Å; F48-T50 VanDerWaalsContact C-N 3.33Å; F48-T50 PolarHBondContact O-N 3.15Å; F48-R51 PolarHBondContact O-N 3.16Å; F48-L52 WeakPolarHBondContact O-CB 3.31Å; F48-L52 PolarHBondContact O-N 2.95Å; F48-Y125 VanDerWaalsContact CD2-CB 3.48Å; F48-Y125 HydrophobicContact CE2-CD2 4.25Å; F48-Y125 HydrophobicContact CE2-CG 4.39Å; F48-V126 HydrophobicContact CD2-CB 4.27Å; F48-V126 HydrophobicContact CD2-CG1 4.49Å |
| 49 | L | 92.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 178.3 | -67.7 | 179.5 | 0 | 0 | 0 | 111.8 | V45 L52 F53 A72 R75 I79 | V45-L49 HydrophobicContact CG1-CD1 3.82Å; V45-L49 HydrophobicContact CG1-CG 4.15Å; V45-L49 WeakPolarHBondContact O-CB 3.25Å; V45-L49 VanDerWaalsContact O-CG 3.3Å; V45-L49 WeakPolarHBondContact O-CG 3.44Å; V45-L49 PolarHBondContact O-N 3.13Å; L49-L52 HydrophobicContact CD2-CD2 4.5Å; L49-L52 PolarHBondContact O-N 3.4Å; L49-F53 HydrophobicContact CB-CD2 4.15Å; L49-F53 HydrophobicContact CB-CE2 4.11Å; L49-F53 HydrophobicContact CD2-CE2 4.08Å; L49-F53 WeakPolarHBondContact O-CB 3.48Å; L49-F53 WeakPolarHBondContact O-CD2 3.41Å; L49-F53 PolarHBondContact O-N 2.92Å; L49-A72 HydrophobicContact CB-CB 3.8Å; L49-R75 HydrophobicContact CD1-CB 4.12Å; L49-I79 HydrophobicContact CD1-CB 4.24Å; L49-I79 HydrophobicContact CD1-CG1 3.98Å |
| 50 | T | 92 | Very high | 88.5 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 178 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | Q46 N47 F48 L52 F53 S54 R69 A72 V180 | Q46-T50 WeakPolarHBondContact O-CB 3.31Å; Q46-T50 PolarHBondContact O-N 3.47Å; Q46-T50 PolarHBondContact O-OG1 2.89Å; N47-T50 PolarHBondContact O-N 2.8Å; F48-T50 VanDerWaalsContact C-N 3.33Å; F48-T50 PolarHBondContact O-N 3.15Å; T50-L52 PolarHBondContact O-N 2.85Å; T50-F53 PolarHBondContact O-N 2.93Å; T50-S54 VanDerWaalsContact O-CB 3.31Å; T50-S54 WeakPolarHBondContact O-CB 3.1Å; T50-S54 PolarHBondContact O-N 2.79Å; T50-S54 PolarHBondContact O-OG 3.05Å; T50-R69 HydrophobicContact CG2-CG 3.97Å; T50-A72 WeakPolarHBondContact OG1-CB 3.39Å; T50-V180 HydrophobicContact CG2-CG2 3.83Å |
| 51 | R | 91.8 | Very high | 87.4 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 4% | 0.038 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.3 | -63.7 | -167.6 | -171.4 | 78.1 | 0.3 | 112 | N47 F48 S54 D55 Y125 N178 V180 E181 | N47-R51 PolarHBondContact O-N 2.66Å; F48-R51 PolarHBondContact O-N 3.16Å; R51-S54 PolarHBondContact O-N 3.5Å; R51-D55 PolarHBondContact O-N 2.92Å; R51-Y125 HydrophobicContact CB-CD1 3.78Å; R51-Y125 HydrophobicContact CB-CG 4.48Å; R51-Y125 WeakPolarHBondContact CD-O 3.33Å; R51-Y125 PolarHBondContact NH1-O 3.09Å; R51-N178 HydrophobicContact CB-CB 4.42Å; R51-N178 HydrophobicContact CG-CB 4.21Å; R51-V180 HydrophobicContact CG-CB 4.35Å; R51-V180 HydrophobicContact CG-CG2 3.75Å; R51-E181 IonicContact CZ-OE1 3.48Å; R51-E181 IonicContact NE-OE1 2.72Å; R51-E181 IonicContact NH2-OE1 2.69Å; R51-E181 PolarHBondContact NH2-OE1 3.05Å; R51-E181 IonicContact NH2-OE2 2.76Å |
| 52 | L | 90.3 | Very high | 86.3 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 178.2 | 178.6 | 65.6 | 0 | 0 | 0 | 112.3 | M36 F48 L49 T50 D55 I58 Y125 | M36-L52 HydrophobicContact CE-CD1 3.84Å; F48-L52 WeakPolarHBondContact O-CB 3.31Å; F48-L52 PolarHBondContact O-N 2.95Å; L49-L52 HydrophobicContact CD2-CD2 4.5Å; L49-L52 PolarHBondContact O-N 3.4Å; T50-L52 PolarHBondContact O-N 2.85Å; L52-D55 PolarHBondContact O-N 3.23Å; L52-I58 HydrophobicContact CD1-CD1 4.17Å; L52-Y125 HydrophobicContact CB-CD1 4.32Å; L52-Y125 HydrophobicContact CB-CD2 4.36Å; L52-Y125 HydrophobicContact CB-CG 4.23Å; L52-Y125 HydrophobicContact CD1-CD2 3.86Å; L52-Y125 HydrophobicContact CD1-CE1 4.36Å; L52-Y125 HydrophobicContact CD1-CE2 3.39Å; L52-Y125 HydrophobicContact CD1-CG 4.5Å |
| 53 | F | 88.7 | Confident | 85.5 | Confident | 13 Ų | 13 | 60 Ų | 60 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.4 | -22.1 | -180 | -72.2 | -64.8 | 0 | 0 | 0 | 113.4 | L49 T50 D55 I59 M61 Q64 A68 V71 A72 | L49-F53 HydrophobicContact CB-CD2 4.15Å; L49-F53 HydrophobicContact CB-CE2 4.11Å; L49-F53 HydrophobicContact CD2-CE2 4.08Å; L49-F53 WeakPolarHBondContact O-CB 3.48Å; L49-F53 WeakPolarHBondContact O-CD2 3.41Å; L49-F53 PolarHBondContact O-N 2.92Å; T50-F53 PolarHBondContact O-N 2.93Å; F53-D55 VanDerWaalsContact C-N 3.3Å; F53-I59 HydrophobicContact CD1-CD1 3.38Å; F53-I59 HydrophobicContact CE1-CD1 3.58Å; F53-I59 HydrophobicContact CG-CD1 4.39Å; F53-M61 HydrophobicContact CB-CE 4.18Å; F53-M61 HydrophobicContact CD1-CE 4.3Å; F53-M61 VanDerWaalsContact O-CE 3.23Å; F53-M61 WeakPolarHBondContact O-CE 3.34Å; F53-Q64 WeakPolarHBondContact O-CG 3.42Å; F53-Q64 PolarHBondContact O-NE2 3.08Å; F53-A68 VanDerWaalsContact C-CB 3.45Å; F53-A68 HydrophobicContact CB-CB 3.67Å; F53-V71 HydrophobicContact CD1-CG1 3.97Å; F53-V71 HydrophobicContact CD2-CG1 3.98Å; F53-V71 HydrophobicContact CE1-CG1 3.85Å; F53-V71 HydrophobicContact CE2-CG1 3.87Å; F53-V71 HydrophobicContact CG-CG1 4.08Å; F53-V71 HydrophobicContact CZ-CG1 3.84Å; F53-A72 HydrophobicContact CD2-CB 4.29Å |
| 54 | S | 87.2 | Confident | 84.8 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.8 | -18.1 | 172.8 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | T50 R51 K56 Q64 A68 | T50-S54 VanDerWaalsContact O-CB 3.31Å; T50-S54 WeakPolarHBondContact O-CB 3.1Å; T50-S54 PolarHBondContact O-N 2.79Å; T50-S54 PolarHBondContact O-OG 3.05Å; R51-S54 PolarHBondContact O-N 3.5Å; S54-K56 PolarHBondContact O-N 2.93Å; S54-K56 VanDerWaalsContact O-N 3.17Å; S54-Q64 PolarHBondContact O-NE2 3.13Å; S54-A68 WeakPolarHBondContact OG-CB 3.28Å |
| 55 | D | 84.4 | Confident | 84 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | trans | -77 | 104.1 | -177.2 | -172.8 | -5.8 | 0 | 0 | 0 | 112.9 | R51 L52 F53 E57 I58 I59 R124 Y125 | R51-D55 PolarHBondContact O-N 2.92Å; L52-D55 PolarHBondContact O-N 3.23Å; F53-D55 VanDerWaalsContact C-N 3.3Å; D55-E57 PolarHBondContact O-N 2.9Å; D55-E57 WeakPolarHBondContact OD1-CB 3.46Å; D55-E57 PolarHBondContact OD1-N 2.88Å; D55-I58 PolarHBondContact O-N 2.86Å; D55-I59 PolarHBondContact O-N 3.14Å; D55-R124 IonicContact OD2-CZ 2.7Å; D55-R124 IonicContact OD2-NH1 3.94Å; D55-R124 PolarHBondContact OD2-NH1 2.94Å; D55-R124 IonicContact OD2-NH2 3.04Å; D55-R124 PolarHBondContact OD2-NH2 3.43Å; D55-Y125 HydrophobicContact CB-CE1 3.97Å; D55-Y125 PolarHBondContact OD2-OH 2.94Å | ||
| 56 | K | 77.8 | Confident | 83.4 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 53% | 0.53 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.5 | 176.4 | -73.5 | 168.3 | -174 | 172.2 | 0 | 114.5 | S54 I59 R60 | S54-K56 PolarHBondContact O-N 2.93Å; S54-K56 VanDerWaalsContact O-N 3.17Å; K56-I59 WeakPolarHBondContact CA-O 3.29Å; K56-R60 VanDerWaalsContact O-CG 3.29Å; K56-R60 WeakPolarHBondContact O-CG 3.25Å |
| 57 | E | 77.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 15% | 0.15 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -30.7 | 177.2 | -64.4 | -168.3 | 178.1 | 0 | 0 | 112.9 | D55 N164 R168 S387 | D55-E57 PolarHBondContact O-N 2.9Å; D55-E57 WeakPolarHBondContact OD1-CB 3.46Å; D55-E57 PolarHBondContact OD1-N 2.88Å; E57-N164 WeakPolarHBondContact OE2-CB 3.24Å; E57-N164 PolarHBondContact OE2-ND2 3.25Å; E57-R168 IonicContact OE1-CZ 3.45Å; E57-R168 VanDerWaalsContact OE1-CZ 3.31Å; E57-R168 IonicContact OE1-NH1 3.1Å; E57-R168 PolarHBondContact OE1-NH1 3.09Å; E57-R168 IonicContact OE1-NH2 2.91Å; E57-R168 PolarHBondContact OE1-NH2 3.22Å; E57-R168 IonicContact OE2-NH2 3.92Å; E57-R168 PolarHBondContact OE2-NH2 2.91Å; E57-S387 WeakPolarHBondContact OE1-CB 3.44Å; E57-S387 PolarHBondContact OE1-OG 2.85Å |
| 58 | I | 76.5 | Confident | 82.5 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -49.7 | 173.3 | -59.3 | -154.9 | 0 | 0 | 0 | 110.7 | M36 L52 D55 Y125 | M36-I58 HydrophobicContact CE-CD1 3.98Å; L52-I58 HydrophobicContact CD1-CD1 4.17Å; D55-I58 PolarHBondContact O-N 2.86Å; I58-Y125 HydrophobicContact CD1-CE2 4.01Å; I58-Y125 WeakPolarHBondContact CD1-OH 3.22Å; I58-Y125 VanDerWaalsContact CG1-OH 3.26Å; I58-Y125 WeakPolarHBondContact CG1-OH 3.47Å |
| 59 | I | 74.7 | Confident | 82.1 | Confident | 42 Ų | 42 | 61 Ų | 61 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | trans | -125.6 | 121.1 | -172.6 | -52.1 | -177.8 | 0 | 0 | 0 | 108.6 | F53 D55 K56 M61 Q64 | F53-I59 HydrophobicContact CD1-CD1 3.38Å; F53-I59 HydrophobicContact CE1-CD1 3.58Å; F53-I59 HydrophobicContact CG-CD1 4.39Å; D55-I59 PolarHBondContact O-N 3.14Å; K56-I59 WeakPolarHBondContact CA-O 3.29Å; I59-M61 HydrophobicContact CG2-CE 3.77Å; I59-M61 HydrophobicContact CG2-CG 3.85Å; I59-M61 HydrophobicContact CG2-SD 3.89Å; I59-Q64 PolarHBondContact O-NE2 3.24Å; I59-Q64 PolarHBondContact O-OE1 3.37Å | ||
| 60 | R | 72.1 | Confident | 81.9 | Confident | 174 Ų | 174 | 65.3 Ų | 65.3 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | trans | -100.9 | 117.3 | 173.4 | -69.3 | -176.7 | -178.5 | -179.5 | -1.2 | 109.9 | K56 | K56-R60 VanDerWaalsContact O-CG 3.29Å; K56-R60 WeakPolarHBondContact O-CG 3.25Å | ||
| 61 | M | 72.4 | Confident | 81.6 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | trans | -133 | 149.8 | 178.9 | -73 | 178.3 | -59.7 | 0 | 0 | 111.9 | F53 I59 Q64 L67 | F53-M61 HydrophobicContact CB-CE 4.18Å; F53-M61 HydrophobicContact CD1-CE 4.3Å; F53-M61 VanDerWaalsContact O-CE 3.23Å; F53-M61 WeakPolarHBondContact O-CE 3.34Å; I59-M61 HydrophobicContact CG2-CE 3.77Å; I59-M61 HydrophobicContact CG2-CG 3.85Å; I59-M61 HydrophobicContact CG2-SD 3.89Å; M61-Q64 HydrophobicContact CB-CB 4.39Å; M61-Q64 HydrophobicContact CB-CG 4.34Å; M61-Q64 HydrophobicContact CE-CG 4.08Å; M61-L67 HydrophobicContact CB-CD2 4.03Å; M61-L67 HydrophobicContact CG-CD2 4.27Å; M61-L67 HydrophobicContact SD-CD2 3.88Å; M61-L67 HydrophobicContact SD-CG 4.25Å | ||
| 62 | P | 74.7 | Confident | 81.5 | Confident | 93 Ų | 93 | 65.7 Ų | 65.7 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 146.2 | 167.8 | 30.5 | -33.8 | 0 | 0 | 0 | 110.5 | Q64 | P62-Q64 PolarHBondContact O-N 3.41Š|
| 63 | F | 79 | Confident | 81.6 | Confident | 187 Ų | 187 | 72 Ų | 72 | 82% | 0.82 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.9 | 179.5 | -50.9 | -76.1 | 0 | 0 | 0 | 113.7 | D65 L66 L67 | F63-D65 VanDerWaalsContact C-N 3.3Å; F63-D65 PolarHBondContact O-N 3.16Å; F63-D65 VanDerWaalsContact O-N 3.15Å; F63-L66 PolarHBondContact O-N 2.74Å; F63-L67 PolarHBondContact O-N 3.18Å |
| 64 | Q | 80.3 | Confident | 81.8 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.6 | -35.5 | -163.2 | -172.3 | 156.2 | -5.6 | 0 | 0 | 114.5 | F53 S54 I59 M61 P62 L66 L67 A68 | F53-Q64 WeakPolarHBondContact O-CG 3.42Å; F53-Q64 PolarHBondContact O-NE2 3.08Å; S54-Q64 PolarHBondContact O-NE2 3.13Å; I59-Q64 PolarHBondContact O-NE2 3.24Å; I59-Q64 PolarHBondContact O-OE1 3.37Å; M61-Q64 HydrophobicContact CB-CB 4.39Å; M61-Q64 HydrophobicContact CB-CG 4.34Å; M61-Q64 HydrophobicContact CE-CG 4.08Å; P62-Q64 PolarHBondContact O-N 3.41Å; Q64-L66 VanDerWaalsContact C-N 3.33Å; Q64-L66 PolarHBondContact O-N 3.43Å; Q64-L67 PolarHBondContact O-N 2.78Å; Q64-A68 WeakPolarHBondContact O-CA 3.38Å; Q64-A68 WeakPolarHBondContact O-CB 3.31Å; Q64-A68 PolarHBondContact O-N 3.37Å |
| 65 | D | 76.4 | Confident | 82 | Confident | 107 Ų | 107 | 84.9 Ų | 84.9 | 57% | 0.572 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.3 | -39 | -176.8 | -54.3 | -29.1 | 0 | 0 | 0 | 112.2 | F63 R69 | F63-D65 VanDerWaalsContact C-N 3.3Å; F63-D65 PolarHBondContact O-N 3.16Å; F63-D65 VanDerWaalsContact O-N 3.15Å; D65-R69 WeakPolarHBondContact O-CG 3.37Å |
| 66 | L | 82.3 | Confident | 82.5 | Confident | 138 Ų | 138 | 84.6 Ų | 84.6 | 72% | 0.723 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -77.8 | -45 | 175.2 | -178.2 | 64 | 0 | 0 | 0 | 111 | F63 Q64 A68 R69 F70 | F63-L66 PolarHBondContact O-N 2.74Å; Q64-L66 VanDerWaalsContact C-N 3.33Å; Q64-L66 PolarHBondContact O-N 3.43Å; L66-A68 PolarHBondContact O-N 2.75Å; L66-R69 PolarHBondContact O-N 3.46Å; L66-F70 PolarHBondContact O-N 3.37Å; L66-F70 VanDerWaalsContact O-N 3.08Å |
| 67 | L | 84 | Confident | 83.4 | Confident | 59 Ų | 59 | 82.7 Ų | 82.7 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | -176.1 | -173.8 | 59.3 | 0 | 0 | 0 | 111.9 | M61 F63 Q64 F70 V71 | M61-L67 HydrophobicContact CB-CD2 4.03Å; M61-L67 HydrophobicContact CG-CD2 4.27Å; M61-L67 HydrophobicContact SD-CD2 3.88Å; M61-L67 HydrophobicContact SD-CG 4.25Å; F63-L67 PolarHBondContact O-N 3.18Å; Q64-L67 PolarHBondContact O-N 2.78Å; L67-F70 HydrophobicContact CD1-CD1 4.46Å; L67-F70 PolarHBondContact O-N 3.01Å; L67-V71 HydrophobicContact CD1-CG2 3.85Å; L67-V71 HydrophobicContact CG-CG2 4.02Å; L67-V71 VanDerWaalsContact O-CB 3.31Å; L67-V71 WeakPolarHBondContact O-CB 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.2Å; L67-V71 PolarHBondContact O-N 3.29Å |
| 68 | A | 84.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F53 S54 Q64 L66 F70 V71 A72 | F53-A68 VanDerWaalsContact C-CB 3.45Å; F53-A68 HydrophobicContact CB-CB 3.67Å; S54-A68 WeakPolarHBondContact OG-CB 3.28Å; Q64-A68 WeakPolarHBondContact O-CA 3.38Å; Q64-A68 WeakPolarHBondContact O-CB 3.31Å; Q64-A68 PolarHBondContact O-N 3.37Å; L66-A68 PolarHBondContact O-N 2.75Å; A68-F70 PolarHBondContact O-N 2.94Å; A68-V71 PolarHBondContact O-N 2.96Å; A68-A72 WeakPolarHBondContact O-CB 3.19Å; A68-A72 PolarHBondContact O-N 3.31Å |
| 69 | R | 85.4 | Confident | 85.2 | Confident | 135 Ų | 135 | 86.9 Ų | 86.9 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.3 | -71 | 176.7 | 174.1 | -171.5 | -1.3 | 111.9 | T50 D65 L66 W73 G179 | T50-R69 HydrophobicContact CG2-CG 3.97Å; D65-R69 WeakPolarHBondContact O-CG 3.37Å; L66-R69 PolarHBondContact O-N 3.46Å; R69-W73 WeakPolarHBondContact O-CB 3.5Å; R69-W73 PolarHBondContact O-N 2.98Å; R69-G179 PolarHBondContact NH2-O 2.8Å |
| 70 | F | 87.9 | Confident | 86.3 | Confident | 101 Ų | 101 | 87.9 Ų | 87.9 | 44% | 0.443 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 177.8 | 179.1 | -101 | 0 | 0 | 0 | 112.6 | L66 L67 A68 W73 R74 | L66-F70 PolarHBondContact O-N 3.37Å; L66-F70 VanDerWaalsContact O-N 3.08Å; L67-F70 HydrophobicContact CD1-CD1 4.46Å; L67-F70 PolarHBondContact O-N 3.01Å; A68-F70 PolarHBondContact O-N 2.94Å; F70-W73 HydrophobicContact CD2-CE3 4.17Å; F70-W73 HydrophobicContact CD2-CZ3 4.4Å; F70-W73 HydrophobicContact CE2-CE3 4.13Å; F70-W73 AromaticContact CE2-CZ3 3.92Å; F70-W73 HydrophobicContact CE2-CZ3 3.92Å; F70-W73 PolarHBondContact O-N 3.36Å; F70-R74 WeakPolarHBondContact O-CB 3.25Å; F70-R74 PolarHBondContact O-N 2.82Å |
| 71 | V | 87 | Confident | 87.5 | Confident | 26 Ų | 26 | 86 Ų | 86 | 16% | 0.158 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | F53 L67 A68 R74 R75 | F53-V71 HydrophobicContact CD1-CG1 3.97Å; F53-V71 HydrophobicContact CD2-CG1 3.98Å; F53-V71 HydrophobicContact CE1-CG1 3.85Å; F53-V71 HydrophobicContact CE2-CG1 3.87Å; F53-V71 HydrophobicContact CG-CG1 4.08Å; F53-V71 HydrophobicContact CZ-CG1 3.84Å; L67-V71 HydrophobicContact CD1-CG2 3.85Å; L67-V71 HydrophobicContact CG-CG2 4.02Å; L67-V71 VanDerWaalsContact O-CB 3.31Å; L67-V71 WeakPolarHBondContact O-CB 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.2Å; L67-V71 PolarHBondContact O-N 3.29Å; A68-V71 PolarHBondContact O-N 2.96Å; V71-R74 PolarHBondContact O-N 3.36Å; V71-R75 HydrophobicContact CG1-CG 4.32Å; V71-R75 WeakPolarHBondContact O-CB 3.37Å; V71-R75 WeakPolarHBondContact O-CG 3.23Å; V71-R75 PolarHBondContact O-N 3.41Å |
| 72 | A | 89.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.4 | -56.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L49 T50 F53 A68 R74 R75 S76 | L49-A72 HydrophobicContact CB-CB 3.8Å; T50-A72 WeakPolarHBondContact OG1-CB 3.39Å; F53-A72 HydrophobicContact CD2-CB 4.29Å; A68-A72 WeakPolarHBondContact O-CB 3.19Å; A68-A72 PolarHBondContact O-N 3.31Å; A72-R74 VanDerWaalsContact C-N 3.3Å; A72-R74 PolarHBondContact O-N 3.34Å; A72-R75 PolarHBondContact O-N 3.42Å; A72-S76 PolarHBondContact O-N 3.15Å; A72-S76 PolarHBondContact O-OG 3.07Å |
| 73 | W | 91.1 | Very high | 89.8 | Confident | 157 Ų | 157 | 80.4 Ų | 80.4 | 60% | 0.595 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -53 | -44.8 | 177.4 | 170.7 | 74.8 | 0 | 0 | 0 | 112.9 | R69 F70 R75 P77 | R69-W73 WeakPolarHBondContact O-CB 3.5Å; R69-W73 PolarHBondContact O-N 2.98Å; F70-W73 HydrophobicContact CD2-CE3 4.17Å; F70-W73 HydrophobicContact CD2-CZ3 4.4Å; F70-W73 HydrophobicContact CE2-CE3 4.13Å; F70-W73 AromaticContact CE2-CZ3 3.92Å; F70-W73 HydrophobicContact CE2-CZ3 3.92Å; F70-W73 PolarHBondContact O-N 3.36Å; W73-R75 PolarHBondContact O-N 3.13Å; W73-P77 WeakPolarHBondContact O-CD 3.43Å |
| 74 | R | 93.3 | Very high | 90.7 | Very high | 184 Ų | 184 | 74.7 Ų | 74.7 | 69% | 0.694 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.4 | -33.6 | 179.1 | -176.8 | 174.4 | 178.3 | 153.7 | 1.5 | 113 | F70 V71 A72 | F70-R74 WeakPolarHBondContact O-CB 3.25Å; F70-R74 PolarHBondContact O-N 2.82Å; V71-R74 PolarHBondContact O-N 3.36Å; A72-R74 VanDerWaalsContact C-N 3.3Å; A72-R74 PolarHBondContact O-N 3.34Å |
| 75 | R | 92.5 | Very high | 91.5 | Very high | 111 Ų | 111 | 79 Ų | 79 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -87.5 | -27.8 | -177.5 | -72.7 | -175.7 | 178.9 | -158.2 | 4.6 | 113.1 | L49 V71 A72 W73 K78 I79 | L49-R75 HydrophobicContact CD1-CB 4.12Å; V71-R75 HydrophobicContact CG1-CG 4.32Å; V71-R75 WeakPolarHBondContact O-CB 3.37Å; V71-R75 WeakPolarHBondContact O-CG 3.23Å; V71-R75 PolarHBondContact O-N 3.41Å; A72-R75 PolarHBondContact O-N 3.42Å; W73-R75 PolarHBondContact O-N 3.13Å; R75-K78 PolarHBondContact O-N 3.44Å; R75-K78 VanDerWaalsContact O-N 3.12Å; R75-I79 PolarHBondContact O-N 3.12Å |
| 76 | S | 94.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -48.5 | -49.3 | -175.7 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | Q46 A72 K78 I79 E80 | Q46-S76 VanDerWaalsContact CA-OG 3.31Å; Q46-S76 WeakPolarHBondContact CA-OG 3.21Å; Q46-S76 WeakPolarHBondContact CB-OG 2.99Å; A72-S76 PolarHBondContact O-N 3.15Å; A72-S76 PolarHBondContact O-OG 3.07Å; S76-K78 VanDerWaalsContact C-N 3.28Å; S76-K78 PolarHBondContact O-N 2.74Å; S76-I79 PolarHBondContact O-N 3.35Å; S76-E80 WeakPolarHBondContact O-CB 3.47Å; S76-E80 VanDerWaalsContact O-CG 3.29Å; S76-E80 WeakPolarHBondContact O-CG 3.44Å; S76-E80 PolarHBondContact O-N 2.99Å |
| 77 | P | 96.2 | Very high | 93.2 | Very high | 82 Ų | 82 | 72.4 Ų | 72.4 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.3 | -36.7 | -176.2 | -25.3 | 35.4 | 0 | 0 | 0 | 113.6 | W73 K81 | W73-P77 WeakPolarHBondContact O-CD 3.43Å; P77-K81 PolarHBondContact O-N 3.46Å |
| 78 | K | 95.6 | Very high | 93.8 | Very high | 139 Ų | 139 | 70.7 Ų | 70.7 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66 | -50.5 | 175.4 | -175.8 | -175.8 | 175.9 | -173 | 0 | 109.8 | R75 S76 K81 Q82 | R75-K78 PolarHBondContact O-N 3.44Å; R75-K78 VanDerWaalsContact O-N 3.12Å; S76-K78 VanDerWaalsContact C-N 3.28Å; S76-K78 PolarHBondContact O-N 2.74Å; K78-K81 WeakPolarHBondContact O-CB 3.43Å; K78-K81 PolarHBondContact O-N 3.35Å; K78-Q82 WeakPolarHBondContact O-CG 3.36Å; K78-Q82 PolarHBondContact O-N 2.92Å; K78-Q82 VanDerWaalsContact O-N 3.12Å |
| 79 | I | 95.8 | Very high | 94.4 | Very high | 34 Ų | 34 | 71.1 Ų | 71.1 | 17% | 0.174 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.5 | -37.8 | -175.6 | -57.4 | -54.2 | 0 | 0 | 0 | 111.7 | V45 L49 R75 S76 K81 Q82 Y83 I319 | V45-I79 HydrophobicContact CG1-CB 3.83Å; V45-I79 HydrophobicContact CG1-CG2 3.63Å; L49-I79 HydrophobicContact CD1-CB 4.24Å; L49-I79 HydrophobicContact CD1-CG1 3.98Å; R75-I79 PolarHBondContact O-N 3.12Å; S76-I79 PolarHBondContact O-N 3.35Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 3.22Å; I79-Q82 WeakPolarHBondContact O-CB 3.49Å; I79-Q82 PolarHBondContact O-N 3.27Å; I79-Q82 VanDerWaalsContact O-N 3.17Å; I79-Y83 HydrophobicContact CG2-CD2 3.7Å; I79-Y83 HydrophobicContact CG2-CE2 3.53Å; I79-Y83 VanDerWaalsContact O-CD2 3.3Å; I79-Y83 WeakPolarHBondContact O-CD2 3.25Å; I79-Y83 PolarHBondContact O-N 2.91Å; I79-I319 HydrophobicContact CG2-CD1 4.46Å |
| 80 | E | 97.4 | Very high | 95 | Very high | 63 Ų | 63 | 65 Ų | 65 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 172.6 | -75.2 | 170.7 | -166.6 | 0 | 0 | 112 | V45 S76 Y83 S84 | V45-E80 HydrophobicContact CB-CG 3.74Å; V45-E80 HydrophobicContact CG1-CG 3.94Å; V45-E80 HydrophobicContact CG2-CG 3.88Å; S76-E80 WeakPolarHBondContact O-CB 3.47Å; S76-E80 VanDerWaalsContact O-CG 3.29Å; S76-E80 WeakPolarHBondContact O-CG 3.44Å; S76-E80 PolarHBondContact O-N 2.99Å; E80-Y83 PolarHBondContact O-N 3.01Å; E80-S84 WeakPolarHBondContact O-CB 3.41Å; E80-S84 PolarHBondContact O-N 3.41Å; E80-S84 PolarHBondContact O-OG 2.97Å |
| 81 | K | 97.4 | Very high | 95.5 | Very high | 134 Ų | 134 | 61.8 Ų | 61.8 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 174.7 | -173.6 | 178.4 | 179.9 | -178.5 | 0 | 111.6 | P77 K78 I79 S84 H85 | P77-K81 PolarHBondContact O-N 3.46Å; K78-K81 WeakPolarHBondContact O-CB 3.43Å; K78-K81 PolarHBondContact O-N 3.35Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 3.22Å; K81-S84 WeakPolarHBondContact O-CB 3.41Å; K81-S84 PolarHBondContact O-N 3.31Å; K81-H85 PolarHBondContact O-CD2 3.22Å; K81-H85 PolarHBondContact O-N 3.44Å; K81-H85 VanDerWaalsContact O-N 3.13Å |
| 82 | Q | 97.7 | Very high | 96 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.5 | -60.5 | -179.2 | -40.6 | 0 | 0 | 111.1 | K78 I79 S84 H85 I319 Y323 | K78-Q82 WeakPolarHBondContact O-CG 3.36Å; K78-Q82 PolarHBondContact O-N 2.92Å; K78-Q82 VanDerWaalsContact O-N 3.12Å; I79-Q82 WeakPolarHBondContact O-CB 3.49Å; I79-Q82 PolarHBondContact O-N 3.27Å; I79-Q82 VanDerWaalsContact O-N 3.17Å; Q82-S84 VanDerWaalsContact C-N 3.31Å; Q82-S84 PolarHBondContact O-N 3.19Å; Q82-H85 WeakPolarHBondContact O-CB 3.35Å; Q82-H85 PolarHBondContact O-N 3.37Å; Q82-H85 VanDerWaalsContact O-N 3.15Å; Q82-I319 HydrophobicContact CB-CD1 3.76Å; Q82-Y323 HydrophobicContact CB-CD1 3.98Å; Q82-Y323 HydrophobicContact CB-CD2 3.84Å; Q82-Y323 HydrophobicContact CB-CE1 3.99Å; Q82-Y323 HydrophobicContact CB-CE2 3.88Å; Q82-Y323 HydrophobicContact CB-CG 3.92Å; Q82-Y323 VanDerWaalsContact CD-CE1 3.48Å; Q82-Y323 HydrophobicContact CG-CD1 3.95Å; Q82-Y323 HydrophobicContact CG-CD2 4.27Å; Q82-Y323 HydrophobicContact CG-CE1 3.47Å; Q82-Y323 VanDerWaalsContact CG-CE1 3.47Å; Q82-Y323 HydrophobicContact CG-CE2 3.86Å; Q82-Y323 HydrophobicContact CG-CG 4.33Å; Q82-Y323 VanDerWaalsContact CG-CZ 3.45Å |
| 83 | Y | 98 | Very high | 96.5 | Very high | 6 Ų | 6 | 61 Ų | 61 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 173.9 | -82.3 | -64.8 | 0 | 0 | 0 | 113 | P39 V45 I79 E80 H85 I86 G87 G88 I319 | P39-Y83 WeakPolarHBondContact CD-OH 3.4Å; P39-Y83 HydrophobicContact CG-CD2 4.02Å; P39-Y83 HydrophobicContact CG-CE1 4.17Å; P39-Y83 HydrophobicContact CG-CE2 3.47Å; P39-Y83 VanDerWaalsContact CG-CE2 3.47Å; V45-Y83 HydrophobicContact CG2-CD2 3.58Å; V45-Y83 HydrophobicContact CG2-CE2 4.06Å; V45-Y83 HydrophobicContact CG2-CG 4.43Å; I79-Y83 HydrophobicContact CG2-CD2 3.7Å; I79-Y83 HydrophobicContact CG2-CE2 3.53Å; I79-Y83 VanDerWaalsContact O-CD2 3.3Å; I79-Y83 WeakPolarHBondContact O-CD2 3.25Å; I79-Y83 PolarHBondContact O-N 2.91Å; E80-Y83 PolarHBondContact O-N 3.01Å; Y83-H85 VanDerWaalsContact C-N 3.26Å; Y83-H85 PolarHBondContact O-N 3.42Å; Y83-I86 HydrophobicContact CD1-CD1 3.86Å; Y83-I86 HydrophobicContact CD1-CG1 4.29Å; Y83-I86 HydrophobicContact CE1-CD1 4.21Å; Y83-I86 VanDerWaalsContact O-CG1 3.25Å; Y83-I86 WeakPolarHBondContact O-CG1 3.21Å; Y83-I86 PolarHBondContact O-N 3.42Å; Y83-I86 VanDerWaalsContact O-N 3.12Å; Y83-G87 PolarHBondContact O-N 2.74Å; Y83-G88 WeakPolarHBondContact O-CA 3.47Å; Y83-G88 PolarHBondContact O-N 2.97Å; Y83-I319 HydrophobicContact CD1-CD1 4.35Å; Y83-I319 HydrophobicContact CD2-CD1 4.04Å; Y83-I319 HydrophobicContact CE1-CB 3.85Å; Y83-I319 HydrophobicContact CE1-CD1 4.08Å; Y83-I319 HydrophobicContact CE1-CG1 4.41Å; Y83-I319 HydrophobicContact CE1-CG2 4.42Å; Y83-I319 HydrophobicContact CE2-CD1 3.76Å; Y83-I319 HydrophobicContact CG-CD1 4.31Å |
| 84 | S | 97.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | 175.8 | -58 | 0 | 0 | 0 | 0 | 112.2 | E80 K81 Q82 I86 G87 | E80-S84 WeakPolarHBondContact O-CB 3.41Å; E80-S84 PolarHBondContact O-N 3.41Å; E80-S84 PolarHBondContact O-OG 2.97Å; K81-S84 WeakPolarHBondContact O-CB 3.41Å; K81-S84 PolarHBondContact O-N 3.31Å; Q82-S84 VanDerWaalsContact C-N 3.31Å; Q82-S84 PolarHBondContact O-N 3.19Å; S84-I86 PolarHBondContact O-N 2.94Å; S84-G87 PolarHBondContact O-N 2.8Å |
| 85 | H | 97.6 | Very high | 97 | Very high | 99 Ų | 99 | 54.4 Ų | 54.4 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -18.5 | 177.6 | -70.8 | -164.5 | 0 | 0 | 0 | 113.5 | K81 Q82 Y83 Y323 I327 | K81-H85 PolarHBondContact O-CD2 3.22Å; K81-H85 PolarHBondContact O-N 3.44Å; K81-H85 VanDerWaalsContact O-N 3.13Å; Q82-H85 WeakPolarHBondContact O-CB 3.35Å; Q82-H85 PolarHBondContact O-N 3.37Å; Q82-H85 VanDerWaalsContact O-N 3.15Å; Y83-H85 VanDerWaalsContact C-N 3.26Å; Y83-H85 PolarHBondContact O-N 3.42Å; H85-Y323 HydrophobicContact CB-CD2 4.05Å; H85-Y323 HydrophobicContact CB-CE2 4.18Å; H85-Y323 AromaticContact ND1-CE2 3.66Å; H85-I327 HydrophobicContact CB-CD1 3.77Å |
| 86 | I | 97.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 17.1 | -179.1 | 67.3 | 168.1 | 0 | 0 | 0 | 113.3 | Y83 S84 I319 L322 I327 | Y83-I86 HydrophobicContact CD1-CD1 3.86Å; Y83-I86 HydrophobicContact CD1-CG1 4.29Å; Y83-I86 HydrophobicContact CE1-CD1 4.21Å; Y83-I86 VanDerWaalsContact O-CG1 3.25Å; Y83-I86 WeakPolarHBondContact O-CG1 3.21Å; Y83-I86 PolarHBondContact O-N 3.42Å; Y83-I86 VanDerWaalsContact O-N 3.12Å; S84-I86 PolarHBondContact O-N 2.94Å; I86-I319 HydrophobicContact CD1-CB 4.29Å; I86-L322 HydrophobicContact CB-CB 3.96Å; I86-L322 HydrophobicContact CB-CD1 4.33Å; I86-L322 HydrophobicContact CD1-CB 4.26Å; I86-L322 HydrophobicContact CD1-CD1 4.39Å; I86-L322 HydrophobicContact CG2-CB 3.59Å; I86-I327 HydrophobicContact CG2-CD1 4.37Å |
| 87 | G | 96.9 | Very high | 97.5 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 79% | 0.794 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.1 | 8.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y83 S84 | Y83-G87 PolarHBondContact O-N 2.74Å; S84-G87 PolarHBondContact O-N 2.8Å |
| 88 | G | 96.9 | Very high | 97.6 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 96.7 | 3.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T41 T42 Y83 | T41-G88 CarbonylContact C-O 3.49Å; T41-G88 VanDerWaalsContact CA-O 3.32Å; T41-G88 WeakPolarHBondContact CA-O 3.46Å; T42-G88 WeakPolarHBondContact CG2-O 3.33Å; T42-G88 PolarHBondContact N-O 2.96Å; Y83-G88 WeakPolarHBondContact O-CA 3.47Å; Y83-G88 PolarHBondContact O-N 2.97Å |
| 89 | G | 97.1 | Very high | 97.8 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 179.3 | 174.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | P39 E40 | P39-G89 CarbonylContact O-C 3.55Å; P39-G89 WeakPolarHBondContact O-CA 3.48Å; E40-G89 WeakPolarHBondContact O-CA 3.47Å |
| 90 | S | 98 | Very high | 97.9 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | trans | -80.5 | 126.7 | 177.4 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | P39 I92 | P39-S90 PolarHBondContact O-N 3.22Å; S90-I92 PolarHBondContact O-N 3.34Å; S90-I92 WeakPolarHBondContact OG-CB 3.42Å; S90-I92 VanDerWaalsContact OG-CG2 3.26Å; S90-I92 WeakPolarHBondContact OG-CG2 3.49Å; S90-I92 PolarHBondContact OG-N 3.47Å | ||
| 91 | P | 98 | Very high | 97.9 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 21% | 0.208 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 4.3 | 174.2 | 33.3 | -35 | 0 | 0 | 0 | 112.9 | L93 Y94 W95 D317 L322 | P91-L93 VanDerWaalsContact C-N 3.32Å; P91-L93 PolarHBondContact O-N 2.92Å; P91-Y94 WeakPolarHBondContact O-CB 3.33Å; P91-Y94 PolarHBondContact O-N 2.92Å; P91-Y94 VanDerWaalsContact O-N 3.14Å; P91-W95 PolarHBondContact O-N 3.2Å; P91-D317 HydrophobicContact CG-CB 4.25Å; P91-L322 HydrophobicContact CG-CD1 3.77Å |
| 92 | I | 98 | Very high | 98 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -35.8 | -173.5 | -161.1 | 172 | 0 | 0 | 0 | 112.8 | S90 T96 F123 L316 H318 | S90-I92 PolarHBondContact O-N 3.34Å; S90-I92 WeakPolarHBondContact OG-CB 3.42Å; S90-I92 VanDerWaalsContact OG-CG2 3.26Å; S90-I92 WeakPolarHBondContact OG-CG2 3.49Å; S90-I92 PolarHBondContact OG-N 3.47Å; I92-T96 VanDerWaalsContact O-CB 3.28Å; I92-T96 WeakPolarHBondContact O-CB 3.39Å; I92-T96 PolarHBondContact O-N 2.83Å; I92-T96 PolarHBondContact O-OG1 3.46Å; I92-F123 HydrophobicContact CG2-CE2 4.39Å; I92-F123 HydrophobicContact CG2-CZ 4.27Å; I92-L316 HydrophobicContact CG1-CB 4.17Å; I92-L316 HydrophobicContact CG1-CD1 3.75Å; I92-H318 HydrophobicContact CB-CB 4.41Å; I92-H318 HydrophobicContact CD1-CB 4.36Å |
| 93 | L | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 175.7 | -176.7 | 54.9 | 0 | 0 | 0 | 111 | E40 P91 T96 K97 V121 F123 P128 | E40-L93 HydrophobicContact CG-CB 4.16Å; E40-L93 HydrophobicContact CG-CD2 4.05Å; E40-L93 WeakPolarHBondContact OE1-CD2 3.33Å; E40-L93 WeakPolarHBondContact OE2-CD2 3.37Å; P91-L93 VanDerWaalsContact C-N 3.32Å; P91-L93 PolarHBondContact O-N 2.92Å; L93-T96 PolarHBondContact O-N 3.28Å; L93-K97 HydrophobicContact CD1-CD 4.45Å; L93-K97 HydrophobicContact CD1-CG 4.36Å; L93-K97 HydrophobicContact CG-CD 4.34Å; L93-K97 WeakPolarHBondContact O-CG 3.38Å; L93-K97 PolarHBondContact O-N 2.84Å; L93-V121 HydrophobicContact CD1-CB 4.16Å; L93-V121 HydrophobicContact CD1-CG1 3.64Å; L93-V121 HydrophobicContact CD1-CG2 4.2Å; L93-F123 HydrophobicContact CB-CE2 3.88Å; L93-F123 HydrophobicContact CB-CZ 4.35Å; L93-F123 HydrophobicContact CD1-CE2 3.62Å; L93-F123 HydrophobicContact CD1-CZ 3.95Å; L93-F123 HydrophobicContact CG-CE2 4.26Å; L93-P128 HydrophobicContact CD1-CG 4.4Å |
| 94 | Y | 98.4 | Very high | 98 | Very high | 143 Ų | 143 | 41.4 Ų | 41.4 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56.9 | -53.1 | 177.3 | 170.7 | -97.1 | 0 | 0 | 0 | 110.6 | P91 T96 K97 V98 | P91-Y94 WeakPolarHBondContact O-CB 3.33Å; P91-Y94 PolarHBondContact O-N 2.92Å; P91-Y94 VanDerWaalsContact O-N 3.14Å; Y94-T96 VanDerWaalsContact C-N 3.34Å; Y94-T96 PolarHBondContact O-N 2.82Å; Y94-K97 PolarHBondContact O-N 3.03Å; Y94-V98 HydrophobicContact CD1-CG2 4.42Å; Y94-V98 HydrophobicContact CE1-CG2 3.97Å; Y94-V98 HydrophobicContact CE2-CG2 4.16Å; Y94-V98 WeakPolarHBondContact O-CG2 3.49Å; Y94-V98 PolarHBondContact O-N 3.22Å |
| 95 | W | 98.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -32.4 | -179.6 | -67.8 | 124.9 | 0 | 0 | 0 | 113.4 | P91 K97 V98 Q99 L316 N349 | P91-W95 PolarHBondContact O-N 3.2Å; W95-K97 VanDerWaalsContact C-N 3.34Å; W95-K97 PolarHBondContact O-N 2.97Å; W95-V98 HydrophobicContact CE3-CB 4.24Å; W95-V98 HydrophobicContact CE3-CG1 4.29Å; W95-V98 HydrophobicContact CE3-CG2 4.33Å; W95-V98 HydrophobicContact CZ3-CG1 4.41Å; W95-V98 PolarHBondContact O-N 2.96Å; W95-Q99 PolarHBondContact O-N 3.38Å; W95-L316 HydrophobicContact CB-CB 4.16Å; W95-L316 HydrophobicContact CB-CD1 4.29Å; W95-L316 HydrophobicContact CB-CD2 3.74Å; W95-L316 HydrophobicContact CB-CG 4.27Å; W95-N349 HydrophobicContact CD2-CB 3.73Å; W95-N349 HydrophobicContact CE3-CB 3.76Å; W95-N349 HydrophobicContact CG-CB 4.31Å; W95-N349 HydrophobicContact CH2-CB 4.12Å; W95-N349 HydrophobicContact CZ2-CB 4.07Å; W95-N349 HydrophobicContact CZ3-CB 3.96Å |
| 96 | T | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.5 | -57.2 | 0 | 0 | 0 | 0 | 111 | L33 I92 L93 Y94 G100 V121 F123 L316 | L33-T96 HydrophobicContact CB-CG2 4.07Å; L33-T96 HydrophobicContact CD1-CG2 3.8Å; I92-T96 VanDerWaalsContact O-CB 3.28Å; I92-T96 WeakPolarHBondContact O-CB 3.39Å; I92-T96 PolarHBondContact O-N 2.83Å; I92-T96 PolarHBondContact O-OG1 3.46Å; L93-T96 PolarHBondContact O-N 3.28Å; Y94-T96 VanDerWaalsContact C-N 3.34Å; Y94-T96 PolarHBondContact O-N 2.82Å; T96-G100 PolarHBondContact O-N 2.93Å; T96-V121 HydrophobicContact CG2-CB 4.45Å; T96-V121 HydrophobicContact CG2-CG1 3.91Å; T96-V121 HydrophobicContact CG2-CG2 3.81Å; T96-F123 HydrophobicContact CG2-CE1 4.44Å; T96-L316 WeakPolarHBondContact OG1-CD1 3.43Å |
| 97 | K | 98.5 | Very high | 98.1 | Very high | 92 Ų | 92 | 42.5 Ų | 42.5 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.2 | -46 | 175.6 | -72.4 | 173.1 | 177.7 | 170.1 | 0 | 111.4 | L93 Y94 W95 Q99 G100 E101 F119 V121 | L93-K97 HydrophobicContact CD1-CD 4.45Å; L93-K97 HydrophobicContact CD1-CG 4.36Å; L93-K97 HydrophobicContact CG-CD 4.34Å; L93-K97 WeakPolarHBondContact O-CG 3.38Å; L93-K97 PolarHBondContact O-N 2.84Å; Y94-K97 PolarHBondContact O-N 3.03Å; W95-K97 VanDerWaalsContact C-N 3.34Å; W95-K97 PolarHBondContact O-N 2.97Å; K97-Q99 PolarHBondContact O-N 2.99Å; K97-G100 PolarHBondContact O-N 3.13Å; K97-E101 WeakPolarHBondContact O-CG 3.33Å; K97-E101 PolarHBondContact O-N 2.8Å; K97-F119 HydrophobicContact CB-CZ 4.49Å; K97-F119 HydrophobicContact CG-CE2 4.39Å; K97-V121 HydrophobicContact CG-CG2 4.31Å |
| 98 | V | 98.6 | Very high | 98.2 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 17% | 0.17 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57 | -50.2 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | Y94 W95 G100 E101 M102 | Y94-V98 HydrophobicContact CD1-CG2 4.42Å; Y94-V98 HydrophobicContact CE1-CG2 3.97Å; Y94-V98 HydrophobicContact CE2-CG2 4.16Å; Y94-V98 WeakPolarHBondContact O-CG2 3.49Å; Y94-V98 PolarHBondContact O-N 3.22Å; W95-V98 HydrophobicContact CE3-CB 4.24Å; W95-V98 HydrophobicContact CE3-CG1 4.29Å; W95-V98 HydrophobicContact CE3-CG2 4.33Å; W95-V98 HydrophobicContact CZ3-CG1 4.41Å; W95-V98 PolarHBondContact O-N 2.96Å; V98-G100 PolarHBondContact O-N 3.15Å; V98-E101 PolarHBondContact O-N 3.3Å; V98-M102 HydrophobicContact CG1-SD 3.75Å; V98-M102 WeakPolarHBondContact O-CG 3.24Å; V98-M102 PolarHBondContact O-N 3.02Å |
| 99 | Q | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.7 | -75.1 | -169.5 | -1.1 | 0 | 0 | 112.5 | W95 K97 M102 M103 L316 N349 F354 L358 | W95-Q99 PolarHBondContact O-N 3.38Å; K97-Q99 PolarHBondContact O-N 2.99Å; Q99-M102 PolarHBondContact O-N 2.62Å; Q99-M103 VanDerWaalsContact O-CB 3.22Å; Q99-M103 WeakPolarHBondContact O-CB 3.13Å; Q99-M103 PolarHBondContact O-N 2.78Å; Q99-L316 HydrophobicContact CG-CD2 4.06Å; Q99-N349 WeakPolarHBondContact CG-O 3.49Å; Q99-N349 PolarHBondContact NE2-O 3.46Å; Q99-F354 VanDerWaalsContact NE2-CE1 3.26Å; Q99-L358 HydrophobicContact CB-CD1 4.18Å; Q99-L358 HydrophobicContact CG-CD1 4.48Å |
| 100 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | T96 K97 V98 M103 I104 F119 | T96-G100 PolarHBondContact O-N 2.93Å; K97-G100 PolarHBondContact O-N 3.13Å; V98-G100 PolarHBondContact O-N 3.15Å; G100-M103 PolarHBondContact O-N 3.4Å; G100-I104 WeakPolarHBondContact O-CG1 3.42Å; G100-I104 PolarHBondContact O-N 2.87Å; G100-F119 WeakPolarHBondContact O-CD1 3.46Å |
| 101 | E | 98.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 45.6 Ų | 45.6 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.5 | -44.6 | 177.5 | -72.5 | 171.1 | -176.3 | 0 | 0 | 111.9 | K97 V98 K105 F119 | K97-E101 WeakPolarHBondContact O-CG 3.33Å; K97-E101 PolarHBondContact O-N 2.8Å; V98-E101 PolarHBondContact O-N 3.3Å; E101-K105 VanDerWaalsContact O-CB 3.28Å; E101-K105 WeakPolarHBondContact O-CB 3.27Å; E101-K105 PolarHBondContact O-N 2.8Å; E101-F119 HydrophobicContact CB-CE1 4.43Å; E101-F119 HydrophobicContact CG-CE1 3.7Å; E101-F119 HydrophobicContact CG-CZ 3.96Å |
| 102 | M | 98.4 | Very high | 98.1 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.8 | -67.9 | 166.7 | 69.6 | 0 | 0 | 111.5 | V98 Q99 H106 P352 | V98-M102 HydrophobicContact CG1-SD 3.75Å; V98-M102 WeakPolarHBondContact O-CG 3.24Å; V98-M102 PolarHBondContact O-N 3.02Å; Q99-M102 PolarHBondContact O-N 2.62Å; M102-H106 PolarHBondContact O-N 3.13Å; M102-H106 VanDerWaalsContact O-N 3.14Å; M102-P352 VanDerWaalsContact CE-CA 3.41Å; M102-P352 HydrophobicContact CE-CB 4.31Å |
| 103 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -51.5 | 177.9 | 178.7 | -171.9 | 65.5 | 0 | 0 | 111.1 | I31 L33 Q99 G100 K105 H106 L107 F119 F148 L358 A359 V362 | I31-M103 HydrophobicContact CB-CE 3.9Å; I31-M103 HydrophobicContact CG1-CE 4.23Å; I31-M103 HydrophobicContact CG2-CE 3.64Å; I31-M103 HydrophobicContact CG2-SD 4.18Å; L33-M103 HydrophobicContact CD2-CE 3.89Å; L33-M103 HydrophobicContact CD2-SD 4.43Å; Q99-M103 VanDerWaalsContact O-CB 3.22Å; Q99-M103 WeakPolarHBondContact O-CB 3.13Å; Q99-M103 PolarHBondContact O-N 2.78Å; G100-M103 PolarHBondContact O-N 3.4Å; M103-K105 PolarHBondContact O-N 3.31Å; M103-H106 PolarHBondContact O-N 3.19Å; M103-L107 WeakPolarHBondContact O-CB 3.35Å; M103-L107 PolarHBondContact O-N 3.25Å; M103-F119 HydrophobicContact CE-CB 4.09Å; M103-F148 HydrophobicContact SD-CD1 4.17Å; M103-F148 HydrophobicContact SD-CE1 4Å; M103-L358 HydrophobicContact CB-CB 4.3Å; M103-L358 HydrophobicContact CG-CB 4.06Å; M103-L358 HydrophobicContact SD-CB 4.13Å; M103-A359 HydrophobicContact CG-CB 4.03Å; M103-A359 WeakPolarHBondContact O-CB 3.37Å; M103-V362 HydrophobicContact SD-CG2 3.93Å |
| 104 | I | 98.4 | Very high | 98 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | -178.6 | -67.5 | -55.6 | 0 | 0 | 0 | 111.5 | I31 G100 H106 L107 D108 H117 F119 | I31-I104 HydrophobicContact CG1-CD1 4.05Å; G100-I104 WeakPolarHBondContact O-CG1 3.42Å; G100-I104 PolarHBondContact O-N 2.87Å; I104-H106 VanDerWaalsContact C-N 3.26Å; I104-H106 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 2.9Å; I104-D108 WeakPolarHBondContact O-CB 3.39Å; I104-D108 PolarHBondContact O-N 3.38Å; I104-H117 HydrophobicContact CD1-CB 3.65Å; I104-H117 HydrophobicContact CG2-CB 4.31Å; I104-H117 WeakPolarHBondContact CG2-O 3.4Å; I104-F119 HydrophobicContact CD1-CB 4.13Å; I104-F119 HydrophobicContact CG1-CB 3.81Å; I104-F119 HydrophobicContact CG1-CD1 3.68Å; I104-F119 HydrophobicContact CG1-CG 4.23Å |
| 105 | K | 98.1 | Very high | 97.9 | Very high | 171 Ų | 171 | 44.4 Ų | 44.4 | 74% | 0.743 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -56.9 | -41.7 | 177.3 | -179.1 | -179.9 | 177.7 | -178.7 | 0 | 111.9 | E101 M103 | E101-K105 VanDerWaalsContact O-CB 3.28Å; E101-K105 WeakPolarHBondContact O-CB 3.27Å; E101-K105 PolarHBondContact O-N 2.8Å; M103-K105 PolarHBondContact O-N 3.31Å |
| 106 | H | 98.3 | Very high | 97.9 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 22% | 0.222 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.5 | -42.8 | 178 | -164.4 | 52.8 | 0 | 0 | 0 | 111.7 | M102 M103 I104 D108 A109 I110 A359 | M102-H106 PolarHBondContact O-N 3.13Å; M102-H106 VanDerWaalsContact O-N 3.14Å; M103-H106 PolarHBondContact O-N 3.19Å; I104-H106 VanDerWaalsContact C-N 3.26Å; I104-H106 PolarHBondContact O-N 3.48Å; H106-D108 PolarHBondContact O-N 3.43Å; H106-A109 WeakPolarHBondContact O-CA 3.47Å; H106-A109 WeakPolarHBondContact O-CB 3.47Å; H106-A109 PolarHBondContact O-N 2.86Å; H106-I110 WeakPolarHBondContact O-CG1 3.47Å; H106-I110 PolarHBondContact O-N 3.19Å; H106-A359 HydrophobicContact CB-CB 3.89Å |
| 107 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | -178.8 | -172.6 | 59.5 | 0 | 0 | 0 | 112.7 | I31 M103 I104 A109 I110 S111 H117 A359 V362 L363 | I31-L107 HydrophobicContact CD1-CD2 4.39Å; I31-L107 HydrophobicContact CG1-CD2 4.35Å; M103-L107 WeakPolarHBondContact O-CB 3.35Å; M103-L107 PolarHBondContact O-N 3.25Å; I104-L107 PolarHBondContact O-N 2.9Å; L107-A109 PolarHBondContact O-N 3.07Å; L107-I110 HydrophobicContact CD1-CG1 4.4Å; L107-I110 PolarHBondContact O-N 3.41Å; L107-S111 WeakPolarHBondContact O-CA 3.18Å; L107-S111 WeakPolarHBondContact O-CB 3.49Å; L107-S111 PolarHBondContact O-N 3.18Å; L107-H117 HydrophobicContact CD2-CB 4.16Å; L107-H117 WeakPolarHBondContact CD2-CD2 3.2Å; L107-A359 HydrophobicContact CB-CB 3.89Å; L107-V362 HydrophobicContact CD1-CG1 4.32Å; L107-V362 HydrophobicContact CD2-CB 4.27Å; L107-V362 HydrophobicContact CD2-CG1 3.61Å; L107-L363 HydrophobicContact CD1-CB 4.07Å |
| 108 | D | 98.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 44 Ų | 44 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.5 | -31.3 | 173.7 | -81.4 | -19.2 | 0 | 0 | 0 | 112.3 | I104 H106 A115 H117 | I104-D108 WeakPolarHBondContact O-CB 3.39Å; I104-D108 PolarHBondContact O-N 3.38Å; H106-D108 PolarHBondContact O-N 3.43Å; D108-A115 WeakPolarHBondContact OD1-CB 3.19Å; D108-H117 WeakPolarHBondContact OD1-CB 3.35Å; D108-H117 IonicContact OD1-CE1 3.31Å; D108-H117 IonicContact OD1-CG 3.19Å; D108-H117 PolarHBondContact OD1-N 2.86Å; D108-H117 IonicContact OD1-ND1 2.96Å; D108-H117 PolarHBondContact OD1-ND1 2.87Å |
| 109 | A | 98 | Very high | 97.9 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 60% | 0.603 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -77.6 | -38.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H106 L107 | H106-A109 WeakPolarHBondContact O-CA 3.47Å; H106-A109 WeakPolarHBondContact O-CB 3.47Å; H106-A109 PolarHBondContact O-N 2.86Å; L107-A109 PolarHBondContact O-N 3.07Å |
| 110 | I | 97.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -94.1 | -10.3 | -175.8 | 67.6 | 173.5 | 0 | 0 | 0 | 114.1 | H106 L107 A359 E360 L363 | H106-I110 WeakPolarHBondContact O-CG1 3.47Å; H106-I110 PolarHBondContact O-N 3.19Å; L107-I110 HydrophobicContact CD1-CG1 4.4Å; L107-I110 PolarHBondContact O-N 3.41Å; I110-A359 HydrophobicContact CD1-CB 4.39Å; I110-E360 HydrophobicContact CD1-CG 4.34Å; I110-L363 HydrophobicContact CB-CD2 4.35Å; I110-L363 HydrophobicContact CD1-CB 4.32Å; I110-L363 HydrophobicContact CD1-CD2 3.67Å; I110-L363 HydrophobicContact CG1-CD2 3.87Å |
| 111 | S | 97.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -141.6 | 54.4 | -178.2 | -161.3 | 0 | 0 | 0 | 0 | 112.6 | L107 E113 T114 A115 H117 L363 | L107-S111 WeakPolarHBondContact O-CA 3.18Å; L107-S111 WeakPolarHBondContact O-CB 3.49Å; L107-S111 PolarHBondContact O-N 3.18Å; S111-E113 VanDerWaalsContact C-OE2 3.22Å; S111-E113 WeakPolarHBondContact CA-OE2 3.35Å; S111-E113 PolarHBondContact O-N 3.24Å; S111-E113 VanDerWaalsContact O-N 3.08Å; S111-T114 WeakPolarHBondContact CB-OG1 3.31Å; S111-T114 PolarHBondContact O-N 3.46Å; S111-T114 VanDerWaalsContact O-N 3.1Å; S111-T114 PolarHBondContact O-OG1 3.41Å; S111-T114 PolarHBondContact OG-OG1 3.09Å; S111-A115 PolarHBondContact O-N 3.37Å; S111-H117 PolarHBondContact O-CE1 3.39Å; S111-H117 VanDerWaalsContact O-CE1 3.26Å; S111-L363 WeakPolarHBondContact OG-CD1 3.39Å | ||
| 112 | P | 96.7 | Very high | 97.9 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 57% | 0.565 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.4 | -178.9 | 25.7 | -36.2 | 0 | 0 | 0 | 113.8 | T114 A115 | P112-T114 VanDerWaalsContact C-N 3.3Å; P112-T114 PolarHBondContact O-N 2.85Å; P112-A115 WeakPolarHBondContact O-CB 3.41Å; P112-A115 PolarHBondContact O-N 3.4Å |
| 113 | E | 95.8 | Very high | 97.9 | Very high | 51 Ų | 51 | 37.4 Ų | 37.4 | 24% | 0.238 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -30.1 | 177.6 | 60.5 | -93 | -139.5 | 0 | 0 | 113.8 | K28 S111 H409 L410 S413 | K28-E113 PolarHBondContact NZ-O 2.9Å; S111-E113 VanDerWaalsContact C-OE2 3.22Å; S111-E113 WeakPolarHBondContact CA-OE2 3.35Å; S111-E113 PolarHBondContact O-N 3.24Å; S111-E113 VanDerWaalsContact O-N 3.08Å; E113-H409 WeakPolarHBondContact CG-O 3.25Å; E113-L410 HydrophobicContact CG-CD2 3.49Å; E113-L410 VanDerWaalsContact CG-CD2 3.49Å; E113-L410 HydrophobicContact CG-CG 4.37Å; E113-L410 VanDerWaalsContact OE1-CD2 3.25Å; E113-L410 WeakPolarHBondContact OE1-CD2 3.24Å; E113-S413 PolarHBondContact OE1-OG 3.29Å |
| 114 | T | 96.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -0.2 | 179.8 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | T29 S111 P112 H117 W405 H409 L410 | T29-T114 WeakPolarHBondContact CB-O 3.3Å; T29-T114 PolarHBondContact OG1-O 3.11Å; S111-T114 WeakPolarHBondContact CB-OG1 3.31Å; S111-T114 PolarHBondContact O-N 3.46Å; S111-T114 VanDerWaalsContact O-N 3.1Å; S111-T114 PolarHBondContact O-OG1 3.41Å; S111-T114 PolarHBondContact OG-OG1 3.09Å; P112-T114 VanDerWaalsContact C-N 3.3Å; P112-T114 PolarHBondContact O-N 2.85Å; T114-H117 WeakPolarHBondContact CB-NE2 3.47Å; T114-H117 PolarHBondContact O-NE2 3.18Å; T114-H117 PolarHBondContact OG1-CE1 2.86Å; T114-H117 PolarHBondContact OG1-NE2 2.87Å; T114-W405 HydrophobicContact CG2-CH2 3.35Å; T114-W405 HydrophobicContact CG2-CZ2 4.32Å; T114-W405 HydrophobicContact CG2-CZ3 3.75Å; T114-H409 HydrophobicContact CG2-CB 4.35Å; T114-L410 HydrophobicContact CG2-CD1 4.04Å; T114-L410 HydrophobicContact CG2-CD2 4.04Å; T114-L410 HydrophobicContact CG2-CG 4Å |
| 115 | A | 97.4 | Very high | 97.5 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 164.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D108 S111 P112 H117 | D108-A115 WeakPolarHBondContact OD1-CB 3.19Å; S111-A115 PolarHBondContact O-N 3.37Å; P112-A115 WeakPolarHBondContact O-CB 3.41Å; P112-A115 PolarHBondContact O-N 3.4Å; A115-H117 PolarHBondContact N-CE1 3.49Å |
| 116 | P | 97.5 | Very high | 97.3 | Very high | 37 Ų | 37 | 29 Ų | 29 | 24% | 0.24 | 16% | 0.162 | C | C | . | . | S | Bend | cis | -69.9 | 135 | -6.6 | 25.5 | -27.2 | 0 | 0 | 0 | 111.2 | Q25 K26 A27 K28 | Q25-P116 HydrophobicContact CB-CG 3.88Å; K26-P116 WeakPolarHBondContact O-CG 3.41Å; A27-P116 WeakPolarHBondContact CA-O 3.48Å; K28-P116 PolarHBondContact N-O 2.77Å |
| 117 | H | 98.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.046 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 151 | 173.4 | -55.2 | 89.1 | 0 | 0 | 0 | 110.6 | T29 I104 L107 D108 S111 T114 A115 | T29-H117 VanDerWaalsContact O-CA 3.32Å; T29-H117 WeakPolarHBondContact O-CA 3.26Å; I104-H117 HydrophobicContact CD1-CB 3.65Å; I104-H117 HydrophobicContact CG2-CB 4.31Å; I104-H117 WeakPolarHBondContact CG2-O 3.4Å; L107-H117 HydrophobicContact CD2-CB 4.16Å; L107-H117 WeakPolarHBondContact CD2-CD2 3.2Å; D108-H117 WeakPolarHBondContact OD1-CB 3.35Å; D108-H117 IonicContact OD1-CE1 3.31Å; D108-H117 IonicContact OD1-CG 3.19Å; D108-H117 PolarHBondContact OD1-N 2.86Å; D108-H117 IonicContact OD1-ND1 2.96Å; D108-H117 PolarHBondContact OD1-ND1 2.87Å; S111-H117 PolarHBondContact O-CE1 3.39Å; S111-H117 VanDerWaalsContact O-CE1 3.26Å; T114-H117 WeakPolarHBondContact CB-NE2 3.47Å; T114-H117 PolarHBondContact O-NE2 3.18Å; T114-H117 PolarHBondContact OG1-CE1 2.86Å; T114-H117 PolarHBondContact OG1-NE2 2.87Å; A115-H117 PolarHBondContact N-CE1 3.49Å |
| 118 | R | 98.5 | Very high | 97.1 | Very high | 96 Ų | 96 | 32.4 Ų | 32.4 | 36% | 0.362 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 134 | 172 | 178.8 | 166.8 | 172.7 | -175.9 | -4.9 | 110.3 | A27 T29 G30 I31 Y120 E136 D140 | A27-R118 HydrophobicContact CB-CB 3.85Å; T29-R118 PolarHBondContact O-N 3.33Å; T29-R118 VanDerWaalsContact O-N 3.09Å; G30-R118 CarbonylContact C-O 3.54Å; G30-R118 WeakPolarHBondContact CA-O 3.31Å; I31-R118 PolarHBondContact N-O 3.24Å; R118-Y120 HydrophobicContact CB-CE2 4.08Å; R118-Y120 WeakPolarHBondContact CD-OH 3.44Å; R118-Y120 HydrophobicContact CG-CD2 4.42Å; R118-Y120 HydrophobicContact CG-CE1 4.36Å; R118-Y120 HydrophobicContact CG-CE2 3.85Å; R118-E136 IonicContact CZ-OE1 3.87Å; R118-E136 IonicContact NH2-OE1 3.77Å; R118-E136 PolarHBondContact NH2-OE1 3.02Å; R118-D140 IonicContact CZ-OD2 2.67Å; R118-D140 IonicContact NE-OD2 2.65Å; R118-D140 IonicContact NH1-OD1 3.53Å; R118-D140 IonicContact NH1-OD2 2.95Å; R118-D140 PolarHBondContact NH1-OD2 3.47Å; R118-D140 IonicContact NH2-OD2 2.88Å; R118-D140 PolarHBondContact NH2-OD2 3.25Å |
| 119 | F | 98.6 | Very high | 97 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 19% | 0.189 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 149.4 | 169.5 | 77.4 | -88.7 | 0 | 0 | 0 | 110.4 | I31 L33 K97 G100 E101 M103 I104 V121 | I31-F119 CarbonylContact O-C 3.53Å; I31-F119 VanDerWaalsContact O-CA 3.25Å; I31-F119 WeakPolarHBondContact O-CA 3.27Å; L33-F119 HydrophobicContact CD1-CB 4.2Å; L33-F119 HydrophobicContact CD1-CD2 3.88Å; L33-F119 HydrophobicContact CD1-CG 4.34Å; L33-F119 HydrophobicContact CG-CB 4.45Å; K97-F119 HydrophobicContact CB-CZ 4.49Å; K97-F119 HydrophobicContact CG-CE2 4.39Å; G100-F119 WeakPolarHBondContact O-CD1 3.46Å; E101-F119 HydrophobicContact CB-CE1 4.43Å; E101-F119 HydrophobicContact CG-CE1 3.7Å; E101-F119 HydrophobicContact CG-CZ 3.96Å; M103-F119 HydrophobicContact CE-CB 4.09Å; I104-F119 HydrophobicContact CD1-CB 4.13Å; I104-F119 HydrophobicContact CG1-CB 3.81Å; I104-F119 HydrophobicContact CG1-CD1 3.68Å; I104-F119 HydrophobicContact CG1-CG 4.23Å; F119-V121 HydrophobicContact CD2-CG2 4.14Å; F119-V121 HydrophobicContact CE2-CG2 3.93Å |
| 120 | Y | 98.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 2% | 0.02 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.2 | 172.6 | -59.2 | -95.5 | 0 | 0 | 0 | 108.3 | I31 M32 L33 R118 C133 E136 I137 D140 V142 | I31-Y120 PolarHBondContact O-N 3.23Å; M32-Y120 CarbonylContact C-O 3.55Å; M32-Y120 WeakPolarHBondContact CA-O 3.49Å; L33-Y120 PolarHBondContact N-O 2.86Å; R118-Y120 HydrophobicContact CB-CE2 4.08Å; R118-Y120 WeakPolarHBondContact CD-OH 3.44Å; R118-Y120 HydrophobicContact CG-CD2 4.42Å; R118-Y120 HydrophobicContact CG-CE1 4.36Å; R118-Y120 HydrophobicContact CG-CE2 3.85Å; Y120-C133 WeakPolarHBondContact CB-SG 3.48Å; Y120-E136 HydrophobicContact CD1-CG 4.22Å; Y120-E136 HydrophobicContact CE1-CG 3.94Å; Y120-I137 HydrophobicContact CD1-CG1 3.82Å; Y120-I137 HydrophobicContact CD2-CD1 4.08Å; Y120-I137 HydrophobicContact CD2-CG1 3.76Å; Y120-I137 HydrophobicContact CE1-CG1 3.87Å; Y120-I137 HydrophobicContact CE2-CG1 3.82Å; Y120-I137 HydrophobicContact CG-CD1 4.09Å; Y120-I137 HydrophobicContact CG-CG1 3.76Å; Y120-D140 VanDerWaalsContact CE1-OD2 3.3Å; Y120-D140 WeakPolarHBondContact CE1-OD2 3.34Å; Y120-D140 PolarHBondContact OH-OD2 3.33Å; Y120-V142 HydrophobicContact CE2-CG2 4.22Å; Y120-V142 VanDerWaalsContact OH-CG2 3.32Å; Y120-V142 WeakPolarHBondContact OH-CG2 3.3Å |
| 121 | V | 98.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 9% | 0.085 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131 | 174.1 | -176 | 0 | 0 | 0 | 0 | 108.8 | L93 T96 K97 F119 F123 P128 | L93-V121 HydrophobicContact CD1-CB 4.16Å; L93-V121 HydrophobicContact CD1-CG1 3.64Å; L93-V121 HydrophobicContact CD1-CG2 4.2Å; T96-V121 HydrophobicContact CG2-CB 4.45Å; T96-V121 HydrophobicContact CG2-CG1 3.91Å; T96-V121 HydrophobicContact CG2-CG2 3.81Å; K97-V121 HydrophobicContact CG-CG2 4.31Å; F119-V121 HydrophobicContact CD2-CG2 4.14Å; F119-V121 HydrophobicContact CE2-CG2 3.93Å; V121-F123 HydrophobicContact CG1-CD1 3.86Å; V121-F123 HydrophobicContact CG1-CD2 4.19Å; V121-F123 HydrophobicContact CG1-CE1 3.46Å; V121-F123 VanDerWaalsContact CG1-CE1 3.46Å; V121-F123 HydrophobicContact CG1-CE2 3.88Å; V121-F123 HydrophobicContact CG1-CG 4.22Å; V121-F123 HydrophobicContact CG1-CZ 3.5Å; V121-F123 VanDerWaalsContact CG1-CZ 3.5Å; V121-P128 HydrophobicContact CB-CG 3.67Å; V121-P128 HydrophobicContact CG1-CG 3.82Å; V121-P128 VanDerWaalsContact O-CG 3.28Å; V121-P128 WeakPolarHBondContact O-CG 3.32Å |
| 122 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 100.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111 | M32 L33 L34 N35 V130 C133 | M32-A122 HydrophobicContact CE-CB 3.23Å; M32-A122 HydrophobicContact CG-CB 3.59Å; M32-A122 HydrophobicContact SD-CB 4.23Å; L33-A122 PolarHBondContact O-N 2.62Å; L34-A122 WeakPolarHBondContact CA-O 3.42Å; L34-A122 HydrophobicContact CD2-CB 3.9Å; N35-A122 PolarHBondContact N-O 2.92Å; A122-V130 HydrophobicContact CB-CG2 4.09Å; A122-C133 HydrophobicContact CB-CB 4.01Å |
| 123 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 149.5 | -178.5 | -67.5 | -21.8 | 0 | 0 | 0 | 112.4 | N35 G37 I92 L93 T96 V121 V126 P128 L129 V130 | N35-F123 HydrophobicContact CB-CD1 3.75Å; N35-F123 HydrophobicContact CB-CE1 3.67Å; N35-F123 VanDerWaalsContact O-CA 3.28Å; N35-F123 WeakPolarHBondContact O-CA 3.41Å; G37-F123 VanDerWaalsContact CA-CG 3.48Å; I92-F123 HydrophobicContact CG2-CE2 4.39Å; I92-F123 HydrophobicContact CG2-CZ 4.27Å; L93-F123 HydrophobicContact CB-CE2 3.88Å; L93-F123 HydrophobicContact CB-CZ 4.35Å; L93-F123 HydrophobicContact CD1-CE2 3.62Å; L93-F123 HydrophobicContact CD1-CZ 3.95Å; L93-F123 HydrophobicContact CG-CE2 4.26Å; T96-F123 HydrophobicContact CG2-CE1 4.44Å; V121-F123 HydrophobicContact CG1-CD1 3.86Å; V121-F123 HydrophobicContact CG1-CD2 4.19Å; V121-F123 HydrophobicContact CG1-CE1 3.46Å; V121-F123 VanDerWaalsContact CG1-CE1 3.46Å; V121-F123 HydrophobicContact CG1-CE2 3.88Å; V121-F123 HydrophobicContact CG1-CG 4.22Å; V121-F123 HydrophobicContact CG1-CZ 3.5Å; V121-F123 VanDerWaalsContact CG1-CZ 3.5Å; F123-V126 HydrophobicContact CB-CG1 4.09Å; F123-V126 VanDerWaalsContact CB-O 3.23Å; F123-V126 WeakPolarHBondContact CB-O 3.48Å; F123-V126 HydrophobicContact CD2-CG1 3.77Å; F123-V126 HydrophobicContact CG-CG1 4.32Å; F123-P128 PolarHBondContact N-O 3.5Å; F123-L129 CarbonylContact O-C 3.39Å; F123-L129 WeakPolarHBondContact O-CA 3.43Å; F123-V130 PolarHBondContact O-N 3.36Å |
| 124 | R | 94.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 3% | 0.03 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -77.3 | -33.4 | -177.9 | -61.5 | -162.5 | 77 | -139.8 | -14.7 | 113.5 | N35 M36 D55 S161 S162 T165 | N35-R124 PolarHBondContact O-N 3.47Å; N35-R124 VanDerWaalsContact O-N 3.1Å; M36-R124 PolarHBondContact O-N 3.02Å; D55-R124 IonicContact OD2-CZ 2.7Å; D55-R124 IonicContact OD2-NH1 3.94Å; D55-R124 PolarHBondContact OD2-NH1 2.94Å; D55-R124 IonicContact OD2-NH2 3.04Å; D55-R124 PolarHBondContact OD2-NH2 3.43Å; R124-S161 VanDerWaalsContact CZ-OG 3.29Å; R124-S161 PolarHBondContact NE-O 2.68Å; R124-S161 PolarHBondContact NE-OG 3.41Å; R124-S161 PolarHBondContact NH1-OG 3.41Å; R124-S162 WeakPolarHBondContact CD-OG 3.48Å; R124-T165 PolarHBondContact NE-OG1 3.06Å; R124-T165 PolarHBondContact NH2-OG1 3.2Å; R124-T165 VanDerWaalsContact NH2-OG1 3.16Å |
| 125 | Y | 94.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -129.1 | -9.1 | -164.8 | -56.9 | -54.5 | 0 | 0 | 0 | 115.7 | M36 F48 R51 L52 D55 I58 | M36-Y125 HydrophobicContact CB-CD2 4.26Å; M36-Y125 HydrophobicContact CB-CE2 4.43Å; M36-Y125 HydrophobicContact CE-CD2 4.2Å; M36-Y125 HydrophobicContact CE-CE2 3.68Å; M36-Y125 HydrophobicContact CG-CD2 4.27Å; M36-Y125 HydrophobicContact CG-CE2 3.93Å; M36-Y125 PolarHBondContact O-N 2.97Å; F48-Y125 VanDerWaalsContact CD2-CB 3.48Å; F48-Y125 HydrophobicContact CE2-CD2 4.25Å; F48-Y125 HydrophobicContact CE2-CG 4.39Å; R51-Y125 HydrophobicContact CB-CD1 3.78Å; R51-Y125 HydrophobicContact CB-CG 4.48Å; R51-Y125 WeakPolarHBondContact CD-O 3.33Å; R51-Y125 PolarHBondContact NH1-O 3.09Å; L52-Y125 HydrophobicContact CB-CD1 4.32Å; L52-Y125 HydrophobicContact CB-CD2 4.36Å; L52-Y125 HydrophobicContact CB-CG 4.23Å; L52-Y125 HydrophobicContact CD1-CD2 3.86Å; L52-Y125 HydrophobicContact CD1-CE1 4.36Å; L52-Y125 HydrophobicContact CD1-CE2 3.39Å; L52-Y125 HydrophobicContact CD1-CG 4.5Å; D55-Y125 HydrophobicContact CB-CE1 3.97Å; D55-Y125 PolarHBondContact OD2-OH 2.94Å; I58-Y125 HydrophobicContact CD1-CE2 4.01Å; I58-Y125 WeakPolarHBondContact CD1-OH 3.22Å; I58-Y125 VanDerWaalsContact CG1-OH 3.26Å; I58-Y125 WeakPolarHBondContact CG1-OH 3.47Å |
| 126 | V | 95.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -138.1 | 157.1 | 178 | 58.6 | 0 | 0 | 0 | 0 | 108.8 | F48 F123 P128 L129 | F48-V126 HydrophobicContact CD2-CB 4.27Å; F48-V126 HydrophobicContact CD2-CG1 4.49Å; F123-V126 HydrophobicContact CB-CG1 4.09Å; F123-V126 VanDerWaalsContact CB-O 3.23Å; F123-V126 WeakPolarHBondContact CB-O 3.48Å; F123-V126 HydrophobicContact CD2-CG1 3.77Å; F123-V126 HydrophobicContact CG-CG1 4.32Å; V126-P128 CarbonylContact O-C 3.54Å; V126-L129 WeakPolarHBondContact O-CD2 3.37Å |
| 127 | H | 94.8 | Very high | 96.4 | Very high | 79 Ų | 79 | 20.4 Ų | 20.4 | 37% | 0.366 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -65.7 | 148.8 | 175.3 | -75.1 | -73.3 | 0 | 0 | 0 | 112 | E181 | H127-E181 IonicContact CE1-OE1 3.66Å; H127-E181 PolarHBondContact CE1-OE1 3.12Å; H127-E181 VanDerWaalsContact CE1-OE1 3.29Å; H127-E181 IonicContact CE1-OE2 3.75Å; H127-E181 PolarHBondContact CE1-OE2 3.45Å; H127-E181 VanDerWaalsContact NE2-CD 3.3Å; H127-E181 IonicContact NE2-OE1 3.72Å; H127-E181 PolarHBondContact NE2-OE1 3.19Å; H127-E181 IonicContact NE2-OE2 3.23Å; H127-E181 PolarHBondContact NE2-OE2 3.24Å |
| 128 | P | 96.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 20.9 Ų | 20.9 | 26% | 0.26 | 10% | 0.102 | S | C | . | . | S | Bend | cis | -71.5 | 124.8 | -7.6 | 28.6 | -32.4 | 0 | 0 | 0 | 111.8 | L93 V121 F123 V126 | L93-P128 HydrophobicContact CD1-CG 4.4Å; V121-P128 HydrophobicContact CB-CG 3.67Å; V121-P128 HydrophobicContact CG1-CG 3.82Å; V121-P128 VanDerWaalsContact O-CG 3.28Å; V121-P128 WeakPolarHBondContact O-CG 3.32Å; F123-P128 PolarHBondContact N-O 3.5Å; V126-P128 CarbonylContact O-C 3.54Å |
| 129 | L | 95.9 | Very high | 96 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 151.7 | -177.3 | -71.1 | 172.8 | 0 | 0 | 0 | 112.3 | F123 V126 E131 S132 C133 E181 I183 | F123-L129 CarbonylContact O-C 3.39Å; F123-L129 WeakPolarHBondContact O-CA 3.43Å; V126-L129 WeakPolarHBondContact O-CD2 3.37Å; L129-E131 PolarHBondContact O-N 2.9Å; L129-S132 PolarHBondContact O-N 2.64Å; L129-C133 WeakPolarHBondContact O-CB 3.33Å; L129-C133 PolarHBondContact O-N 2.7Å; L129-E181 WeakPolarHBondContact CD1-OE1 3.28Å; L129-I183 HydrophobicContact CB-CD1 4.45Å; L129-I183 HydrophobicContact CD1-CD1 3.77Å |
| 130 | V | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -48.8 | -46.1 | 175 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | M32 L34 A122 F123 C133 V134 T165 V166 | M32-V130 HydrophobicContact CE-CB 4.24Å; M32-V130 HydrophobicContact CE-CG1 3.76Å; M32-V130 HydrophobicContact CE-CG2 4.35Å; L34-V130 HydrophobicContact CD2-CG2 4.14Å; A122-V130 HydrophobicContact CB-CG2 4.09Å; F123-V130 PolarHBondContact O-N 3.36Å; V130-C133 WeakPolarHBondContact O-CB 3.12Å; V130-C133 PolarHBondContact O-N 2.73Å; V130-V134 HydrophobicContact CG1-CG2 4.5Å; V130-V134 WeakPolarHBondContact O-CG2 3.24Å; V130-V134 PolarHBondContact O-N 2.69Å; V130-T165 HydrophobicContact CB-CG2 3.78Å; V130-T165 HydrophobicContact CG1-CG2 3.66Å; V130-T165 HydrophobicContact CG2-CG2 4.3Å; V130-V166 HydrophobicContact CG1-CB 4.41Å; V130-V166 HydrophobicContact CG1-CG2 3.62Å |
| 131 | E | 94.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -51.1 | -178.2 | -64.3 | 77.6 | -177.6 | 0 | 0 | 112.1 | L129 C133 V134 N135 T165 H169 F177 I183 | L129-E131 PolarHBondContact O-N 2.9Å; E131-C133 VanDerWaalsContact C-N 3.26Å; E131-C133 PolarHBondContact O-N 3.2Å; E131-V134 PolarHBondContact O-N 3.42Å; E131-N135 PolarHBondContact O-N 3.23Å; E131-T165 WeakPolarHBondContact OE1-CG2 3.03Å; E131-H169 HydrophobicContact CG-CB 4.23Å; E131-H169 PolarHBondContact O-NE2 3.16Å; E131-F177 HydrophobicContact CB-CE2 4.39Å; E131-F177 HydrophobicContact CB-CZ 4.34Å; E131-F177 HydrophobicContact CG-CD1 3.53Å; E131-F177 HydrophobicContact CG-CD2 4.05Å; E131-F177 HydrophobicContact CG-CE1 3.2Å; E131-F177 HydrophobicContact CG-CE2 3.75Å; E131-F177 HydrophobicContact CG-CG 3.96Å; E131-F177 HydrophobicContact CG-CZ 3.33Å; E131-F177 WeakPolarHBondContact OE1-CD1 3.3Å; E131-F177 WeakPolarHBondContact OE1-CE1 3.43Å; E131-I183 HydrophobicContact CB-CB 4.4Å; E131-I183 HydrophobicContact CB-CD1 3.69Å; E131-I183 HydrophobicContact CB-CG2 3.91Å; E131-I183 HydrophobicContact CG-CD1 4.25Å |
| 132 | S | 95 | Very high | 95.3 | Very high | 40 Ų | 40 | 25.1 Ų | 25.1 | 28% | 0.28 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.9 | -37.2 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | L129 N135 E136 | L129-S132 PolarHBondContact O-N 2.64Å; S132-N135 PolarHBondContact O-N 2.85Å; S132-E136 PolarHBondContact O-N 3.02Å |
| 133 | C | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.1 | -42.3 | 177.9 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | M32 Y120 A122 L129 V130 E131 N135 E136 I137 | M32-C133 HydrophobicContact CE-CB 4.12Å; Y120-C133 WeakPolarHBondContact CB-SG 3.48Å; A122-C133 HydrophobicContact CB-CB 4.01Å; L129-C133 WeakPolarHBondContact O-CB 3.33Å; L129-C133 PolarHBondContact O-N 2.7Å; V130-C133 WeakPolarHBondContact O-CB 3.12Å; V130-C133 PolarHBondContact O-N 2.73Å; E131-C133 VanDerWaalsContact C-N 3.26Å; E131-C133 PolarHBondContact O-N 3.2Å; C133-N135 VanDerWaalsContact C-N 3.3Å; C133-N135 PolarHBondContact O-N 2.61Å; C133-E136 WeakPolarHBondContact O-CB 3.37Å; C133-E136 PolarHBondContact O-N 2.91Å; C133-I137 WeakPolarHBondContact O-CG1 3.41Å; C133-I137 PolarHBondContact O-N 2.72Å |
| 134 | V | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 173.8 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | M32 V130 E131 E136 I137 E138 V166 Y170 P186 W197 | M32-V134 HydrophobicContact CE-CG2 4.08Å; V130-V134 HydrophobicContact CG1-CG2 4.5Å; V130-V134 WeakPolarHBondContact O-CG2 3.24Å; V130-V134 PolarHBondContact O-N 2.69Å; E131-V134 PolarHBondContact O-N 3.42Å; V134-E136 VanDerWaalsContact C-N 3.31Å; V134-E136 PolarHBondContact O-N 3.1Å; V134-I137 PolarHBondContact O-N 2.98Å; V134-E138 WeakPolarHBondContact O-CG 3.3Å; V134-E138 PolarHBondContact O-N 2.54Å; V134-V166 HydrophobicContact CG2-CG1 4.09Å; V134-Y170 HydrophobicContact CG1-CE1 4.39Å; V134-Y170 HydrophobicContact CG1-CE2 3.87Å; V134-P186 HydrophobicContact CG1-CG 4.38Å; V134-W197 HydrophobicContact CG2-CH2 4.27Å; V134-W197 HydrophobicContact CG2-CZ2 4.39Å |
| 135 | N | 95 | Very high | 95.4 | Very high | 21 Ų | 21 | 28.3 Ų | 28.3 | 11% | 0.112 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.8 | -36 | 178.5 | -64.3 | -7.8 | 0 | 0 | 0 | 112.4 | E131 S132 C133 R139 H169 E184 | E131-N135 PolarHBondContact O-N 3.23Å; S132-N135 PolarHBondContact O-N 2.85Å; C133-N135 VanDerWaalsContact C-N 3.3Å; C133-N135 PolarHBondContact O-N 2.61Å; N135-R139 WeakPolarHBondContact O-CB 3.25Å; N135-R139 PolarHBondContact O-N 3.31Å; N135-H169 PolarHBondContact OD1-NE2 3.13Å; N135-E184 PolarHBondContact ND2-O 3.05Å |
| 136 | E | 96 | Very high | 95.6 | Very high | 55 Ų | 55 | 28.3 Ų | 28.3 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 174.3 | -177.7 | -177.1 | 170.8 | 0 | 0 | 112 | R118 Y120 S132 C133 V134 E138 R139 D140 | R118-E136 IonicContact CZ-OE1 3.87Å; R118-E136 IonicContact NH2-OE1 3.77Å; R118-E136 PolarHBondContact NH2-OE1 3.02Å; Y120-E136 HydrophobicContact CD1-CG 4.22Å; Y120-E136 HydrophobicContact CE1-CG 3.94Å; S132-E136 PolarHBondContact O-N 3.02Å; C133-E136 WeakPolarHBondContact O-CB 3.37Å; C133-E136 PolarHBondContact O-N 2.91Å; V134-E136 VanDerWaalsContact C-N 3.31Å; V134-E136 PolarHBondContact O-N 3.1Å; E136-E138 VanDerWaalsContact C-N 3.3Å; E136-E138 PolarHBondContact O-N 2.82Å; E136-R139 PolarHBondContact O-N 3.25Å; E136-D140 WeakPolarHBondContact O-CB 3.29Å; E136-D140 PolarHBondContact O-N 3.48Å |
| 137 | I | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 177.1 | -74.2 | 168.7 | 0 | 0 | 0 | 111 | M32 Y120 C133 V134 D140 G141 V142 V145 P195 W197 | M32-I137 HydrophobicContact CB-CD1 4.2Å; M32-I137 HydrophobicContact CG-CD1 4.31Å; M32-I137 HydrophobicContact SD-CD1 4.14Å; Y120-I137 HydrophobicContact CD1-CG1 3.82Å; Y120-I137 HydrophobicContact CD2-CD1 4.08Å; Y120-I137 HydrophobicContact CD2-CG1 3.76Å; Y120-I137 HydrophobicContact CE1-CG1 3.87Å; Y120-I137 HydrophobicContact CE2-CG1 3.82Å; Y120-I137 HydrophobicContact CG-CD1 4.09Å; Y120-I137 HydrophobicContact CG-CG1 3.76Å; C133-I137 WeakPolarHBondContact O-CG1 3.41Å; C133-I137 PolarHBondContact O-N 2.72Å; V134-I137 PolarHBondContact O-N 2.98Å; I137-D140 PolarHBondContact O-N 3.39Å; I137-G141 PolarHBondContact O-N 3.03Å; I137-G141 VanDerWaalsContact O-N 3.09Å; I137-V142 HydrophobicContact CG2-CB 4.16Å; I137-V142 HydrophobicContact CG2-CG2 4.23Å; I137-V142 PolarHBondContact O-N 2.96Å; I137-V145 HydrophobicContact CD1-CG1 4.18Å; I137-V145 HydrophobicContact CG2-CG2 3.46Å; I137-V145 VanDerWaalsContact CG2-CG2 3.46Å; I137-P195 HydrophobicContact CG2-CB 4.49Å; I137-P195 HydrophobicContact CG2-CG 4.05Å; I137-W197 HydrophobicContact CD1-CH2 4.12Å |
| 138 | E | 94 | Very high | 95.9 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 9% | 0.089 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 177.4 | -71.9 | -173.7 | -178.4 | 0 | 0 | 112.9 | V134 E136 D140 G141 Y170 S187 V188 | V134-E138 WeakPolarHBondContact O-CG 3.3Å; V134-E138 PolarHBondContact O-N 2.54Å; E136-E138 VanDerWaalsContact C-N 3.3Å; E136-E138 PolarHBondContact O-N 2.82Å; E138-D140 VanDerWaalsContact C-N 3.3Å; E138-D140 PolarHBondContact O-N 3Å; E138-G141 WeakPolarHBondContact O-CA 3.29Å; E138-G141 PolarHBondContact O-N 3.13Å; E138-Y170 WeakPolarHBondContact OE1-CE1 3.42Å; E138-Y170 VanDerWaalsContact OE1-CZ 3.27Å; E138-Y170 PolarHBondContact OE1-OH 3.17Å; E138-S187 WeakPolarHBondContact OE2-CA 3.21Å; E138-S187 WeakPolarHBondContact OE2-CB 3.1Å; E138-S187 PolarHBondContact OE2-N 3.23Å; E138-S187 PolarHBondContact OE2-OG 2.77Å; E138-V188 HydrophobicContact CG-CG2 4.36Å; E138-V188 WeakPolarHBondContact OE1-CG2 3.36Å; E138-V188 PolarHBondContact OE2-N 3.02Å |
| 139 | R | 93 | Very high | 96 | Very high | 173 Ų | 173 | 22.3 Ų | 22.3 | 65% | 0.653 | 11% | 0.111 | S | C | * | . | H | α-helix | trans | -64.1 | -37.2 | 176.5 | 178.2 | 176.9 | 55.8 | -120.4 | -2.4 | 111.8 | N135 E136 G141 | N135-R139 WeakPolarHBondContact O-CB 3.25Å; N135-R139 PolarHBondContact O-N 3.31Å; E136-R139 PolarHBondContact O-N 3.25Å; R139-G141 PolarHBondContact O-N 3.18Å |
| 140 | D | 94.3 | Very high | 96.1 | Very high | 44 Ų | 44 | 22.4 Ų | 22.4 | 24% | 0.235 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -72 | -15.6 | 173.6 | -70.6 | -12.1 | 0 | 0 | 0 | 112.3 | K26 R118 Y120 E136 I137 E138 V142 | K26-D140 WeakPolarHBondContact CG-O 3.4Å; R118-D140 IonicContact CZ-OD2 2.67Å; R118-D140 IonicContact NE-OD2 2.65Å; R118-D140 IonicContact NH1-OD1 3.53Å; R118-D140 IonicContact NH1-OD2 2.95Å; R118-D140 PolarHBondContact NH1-OD2 3.47Å; R118-D140 IonicContact NH2-OD2 2.88Å; R118-D140 PolarHBondContact NH2-OD2 3.25Å; Y120-D140 VanDerWaalsContact CE1-OD2 3.3Å; Y120-D140 WeakPolarHBondContact CE1-OD2 3.34Å; Y120-D140 PolarHBondContact OH-OD2 3.33Å; E136-D140 WeakPolarHBondContact O-CB 3.29Å; E136-D140 PolarHBondContact O-N 3.48Å; I137-D140 PolarHBondContact O-N 3.39Å; E138-D140 VanDerWaalsContact C-N 3.3Å; E138-D140 PolarHBondContact O-N 3Å; D140-V142 VanDerWaalsContact C-N 3.32Å; D140-V142 HydrophobicContact CB-CG2 4.1Å; D140-V142 PolarHBondContact O-N 3.47Å |
| 141 | G | 92.8 | Very high | 96.2 | Very high | 28 Ų | 28 | 23.6 Ų | 23.6 | 29% | 0.289 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 20 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K26 I137 E138 R139 E143 | K26-G141 WeakPolarHBondContact CE-O 3.22Å; K26-G141 PolarHBondContact NZ-O 2.99Å; I137-G141 PolarHBondContact O-N 3.03Å; I137-G141 VanDerWaalsContact O-N 3.09Å; E138-G141 WeakPolarHBondContact O-CA 3.29Å; E138-G141 PolarHBondContact O-N 3.13Å; R139-G141 PolarHBondContact O-N 3.18Å; G141-E143 PolarHBondContact O-N 2.62Å |
| 142 | V | 95 | Very high | 96.4 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | trans | -46.5 | 136.8 | -176 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | A27 Y120 I137 D140 R144 V145 P195 | A27-V142 HydrophobicContact CB-CG2 4.31Å; Y120-V142 HydrophobicContact CE2-CG2 4.22Å; Y120-V142 VanDerWaalsContact OH-CG2 3.32Å; Y120-V142 WeakPolarHBondContact OH-CG2 3.3Å; I137-V142 HydrophobicContact CG2-CB 4.16Å; I137-V142 HydrophobicContact CG2-CG2 4.23Å; I137-V142 PolarHBondContact O-N 2.96Å; D140-V142 VanDerWaalsContact C-N 3.32Å; D140-V142 HydrophobicContact CB-CG2 4.1Å; D140-V142 PolarHBondContact O-N 3.47Å; V142-R144 WeakPolarHBondContact CG1-O 3.4Å; V142-V145 HydrophobicContact CB-CG2 4.18Å; V142-V145 HydrophobicContact CG1-CG2 3.78Å; V142-P195 WeakPolarHBondContact O-CB 3.23Å | ||
| 143 | E | 95.3 | Very high | 96.6 | Very high | 75 Ų | 75 | 21.4 Ų | 21.4 | 35% | 0.35 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -79 | -48.8 | -177.3 | -61.8 | 175.4 | -165.7 | 0 | 0 | 112 | K28 G141 I196 | K28-E143 WeakPolarHBondContact CG-OE2 3.3Å; K28-E143 WeakPolarHBondContact O-CB 3.36Å; K28-E143 PolarHBondContact O-N 3.44Å; K28-E143 VanDerWaalsContact O-N 3.1Å; G141-E143 PolarHBondContact O-N 2.62Å; E143-I196 PolarHBondContact O-N 3.06Å |
| 144 | R | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.8 | 178.3 | -178 | 175.1 | 178.5 | 178 | 1 | 110.8 | K28 T29 G30 V142 I196 L366 W405 T406 | K28-R144 PolarHBondContact O-N 3.4Å; T29-R144 CarbonylContact C-O 3.5Å; T29-R144 WeakPolarHBondContact CA-O 3.2Å; G30-R144 PolarHBondContact N-O 2.84Å; V142-R144 WeakPolarHBondContact CG1-O 3.4Å; R144-I196 WeakPolarHBondContact CA-O 3.33Å; R144-L366 PolarHBondContact NH1-O 2.95Å; R144-W405 HydrophobicContact CB-CD2 4Å; R144-W405 HydrophobicContact CB-CG 4.42Å; R144-W405 HydrophobicContact CB-CH2 4.29Å; R144-W405 HydrophobicContact CB-CZ2 3.76Å; R144-W405 VanDerWaalsContact CD-CZ3 3.46Å; R144-W405 HydrophobicContact CG-CD2 4.38Å; R144-T406 PolarHBondContact NH1-OG1 2.86Å |
| 145 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.5 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | G30 M32 I137 V142 P195 I196 W197 S198 | G30-V145 CarbonylContact O-C 3.5Å; G30-V145 VanDerWaalsContact O-CA 3.26Å; G30-V145 WeakPolarHBondContact O-CA 3.41Å; M32-V145 HydrophobicContact CB-CG1 4.17Å; I137-V145 HydrophobicContact CD1-CG1 4.18Å; I137-V145 HydrophobicContact CG2-CG2 3.46Å; I137-V145 VanDerWaalsContact CG2-CG2 3.46Å; V142-V145 HydrophobicContact CB-CG2 4.18Å; V142-V145 HydrophobicContact CG1-CG2 3.78Å; V145-P195 HydrophobicContact CB-CB 4.43Å; V145-P195 HydrophobicContact CG2-CB 3.56Å; V145-P195 HydrophobicContact CG2-CG 4Å; V145-I196 PolarHBondContact N-O 3.03Å; V145-W197 HydrophobicContact CB-CD2 4.19Å; V145-W197 HydrophobicContact CB-CE3 3.87Å; V145-W197 HydrophobicContact CB-CH2 4.34Å; V145-W197 HydrophobicContact CB-CZ3 3.97Å; V145-W197 HydrophobicContact CG1-CD2 4.38Å; V145-W197 HydrophobicContact CG1-CE3 3.62Å; V145-W197 HydrophobicContact CG1-CH2 3.74Å; V145-W197 HydrophobicContact CG1-CZ2 4.47Å; V145-W197 HydrophobicContact CG1-CZ3 3.26Å; V145-S198 PolarHBondContact O-N 3.01Å; V145-S198 PolarHBondContact O-OG 3.2Å |
| 146 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 103.2 | 168.4 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | G30 I31 M32 F148 I200 L366 | G30-V146 PolarHBondContact O-N 2.78Å; I31-V146 HydrophobicContact CD1-CB 3.93Å; I31-V146 HydrophobicContact CD1-CG2 3.98Å; M32-V146 PolarHBondContact N-O 3.42Å; V146-F148 HydrophobicContact CG1-CB 4.47Å; V146-F148 PolarHBondContact O-N 3.07Å; V146-I200 HydrophobicContact CG1-CD1 3.63Å; V146-I200 HydrophobicContact CG1-CG1 3.71Å; V146-L366 HydrophobicContact CG2-CD2 3.74Å |
| 147 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 118 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | L34 L163 W197 S198 F199 I200 | L34-A147 HydrophobicContact CD1-CB 3.86Å; A147-L163 HydrophobicContact CB-CD1 4.04Å; A147-W197 HydrophobicContact CB-CE3 4.29Å; A147-W197 HydrophobicContact CB-CZ3 4.31Å; A147-S198 WeakPolarHBondContact CB-O 3.48Å; A147-S198 PolarHBondContact N-O 3.07Å; A147-F199 HydrophobicContact CB-CB 4.49Å; A147-F199 HydrophobicContact CB-CD2 3.65Å; A147-F199 HydrophobicContact CB-CE2 4.37Å; A147-F199 HydrophobicContact CB-CG 4.46Å; A147-F199 CarbonylContact O-C 3.51Å; A147-F199 WeakPolarHBondContact O-CA 3.32Å; A147-F199 WeakPolarHBondContact O-CD2 3.49Å; A147-I200 PolarHBondContact O-N 2.93Å |
| 148 | F | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 101.3 | -173.2 | -172.3 | -177.7 | 0 | 0 | 0 | 109.5 | I31 M32 L33 L34 M103 V146 Q150 I200 W203 L358 L361 V362 | I31-F148 HydrophobicContact CG2-CB 4.03Å; I31-F148 HydrophobicContact CG2-CD1 3.93Å; M32-F148 PolarHBondContact O-N 2.89Å; L33-F148 HydrophobicContact CD2-CB 4.43Å; L33-F148 HydrophobicContact CD2-CD1 4Å; L33-F148 HydrophobicContact CD2-CG 4.5Å; L34-F148 PolarHBondContact N-O 2.99Å; M103-F148 HydrophobicContact SD-CD1 4.17Å; M103-F148 HydrophobicContact SD-CE1 4Å; V146-F148 HydrophobicContact CG1-CB 4.47Å; V146-F148 PolarHBondContact O-N 3.07Å; F148-Q150 VanDerWaalsContact CG-NE2 3.3Å; F148-Q150 PolarHBondContact O-N 2.8Å; F148-Q150 PolarHBondContact O-NE2 3.08Å; F148-I200 HydrophobicContact CD1-CD1 4.38Å; F148-I200 HydrophobicContact CD2-CB 3.7Å; F148-I200 HydrophobicContact CD2-CD1 4.11Å; F148-I200 HydrophobicContact CD2-CG1 4.5Å; F148-I200 HydrophobicContact CD2-CG2 3.66Å; F148-I200 HydrophobicContact CE2-CB 4.21Å; F148-I200 HydrophobicContact CE2-CD1 4.36Å; F148-I200 HydrophobicContact CE2-CG2 3.65Å; F148-I200 HydrophobicContact CG-CB 4.33Å; F148-I200 HydrophobicContact CG-CD1 4.15Å; F148-W203 AromaticContact CE2-CE2 3.99Å; F148-W203 HydrophobicContact CE2-CZ2 4.39Å; F148-W203 AromaticContact CE2-NE1 3.65Å; F148-L358 HydrophobicContact CE1-CB 4.43Å; F148-L358 HydrophobicContact CE1-CD2 4.16Å; F148-L358 HydrophobicContact CZ-CD2 3.76Å; F148-L361 HydrophobicContact CE2-CD2 4.04Å; F148-L361 HydrophobicContact CZ-CD2 3.77Å; F148-L361 HydrophobicContact CZ-CG 4.47Å; F148-V362 HydrophobicContact CD1-CG2 3.75Å; F148-V362 HydrophobicContact CE1-CG2 3.72Å |
| 149 | S | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 119.2 | 174.1 | -168.9 | 0 | 0 | 0 | 0 | 110.8 | Y151 S159 I200 W203 | S149-Y151 PolarHBondContact O-N 2.94Å; S149-Y151 WeakPolarHBondContact OG-CD2 3.29Å; S149-S159 VanDerWaalsContact OG-CB 3.24Å; S149-S159 WeakPolarHBondContact OG-CB 3.31Å; S149-S159 PolarHBondContact OG-OG 3.46Å; S149-I200 WeakPolarHBondContact CB-O 3.33Å; S149-I200 PolarHBondContact N-O 3.49Å; S149-I200 VanDerWaalsContact N-O 3.07Å; S149-W203 PolarHBondContact O-NE1 2.8Å |
| 150 | Q | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -79.6 | 9.3 | 174.7 | -58.1 | -51.9 | -65.5 | 0 | 0 | 112.8 | L33 L34 N35 F148 | L33-Q150 HydrophobicContact CB-CG 4.17Å; L34-Q150 WeakPolarHBondContact O-CB 3.24Å; L34-Q150 PolarHBondContact O-N 3.35Å; N35-Q150 HydrophobicContact CB-CB 4.49Å; F148-Q150 VanDerWaalsContact CG-NE2 3.3Å; F148-Q150 PolarHBondContact O-N 2.8Å; F148-Q150 PolarHBondContact O-NE2 3.08Å |
| 151 | Y | 98.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 9.8 Ų | 9.8 | 10% | 0.098 | 6% | 0.058 | C | C | . | . | trans | -95.2 | 115.1 | 168.2 | -53.4 | -72.1 | 0 | 0 | 0 | 108.6 | N35 M36 S149 Q153 T158 W203 | N35-Y151 PolarHBondContact OD1-OH 3.15Å; N35-Y151 VanDerWaalsContact OD1-OH 3.12Å; M36-Y151 WeakPolarHBondContact CB-OH 3.34Å; M36-Y151 WeakPolarHBondContact CG-OH 3.4Å; M36-Y151 PolarHBondContact N-OH 3.36Å; S149-Y151 PolarHBondContact O-N 2.94Å; S149-Y151 WeakPolarHBondContact OG-CD2 3.29Å; Y151-Q153 VanDerWaalsContact C-N 3.29Å; Y151-Q153 PolarHBondContact O-N 2.96Å; Y151-T158 HydrophobicContact CD1-CG2 4.31Å; Y151-T158 HydrophobicContact CE1-CG2 4.12Å; Y151-T158 HydrophobicContact CE2-CG2 4.44Å; Y151-W203 PolarHBondContact O-NE1 2.94Å | ||
| 152 | P | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -64.1 | -36.6 | 179.1 | -16.3 | 26.3 | 0 | 0 | 0 | 112.9 | W203 P204 L209 T315 | P152-W203 VanDerWaalsContact CA-CE2 3.48Å; P152-W203 HydrophobicContact CB-CD2 3.92Å; P152-W203 HydrophobicContact CB-CE3 3.97Å; P152-W203 HydrophobicContact CB-CH2 4.12Å; P152-W203 HydrophobicContact CB-CZ2 4.04Å; P152-W203 HydrophobicContact CB-CZ3 4.1Å; P152-W203 HydrophobicContact CG-CD2 4.49Å; P152-W203 HydrophobicContact CG-CE3 4.4Å; P152-W203 HydrophobicContact CG-CH2 3.67Å; P152-W203 HydrophobicContact CG-CZ2 3.74Å; P152-W203 HydrophobicContact CG-CZ3 4.02Å; P152-W203 CarbonylContact O-C 3.54Å; P152-W203 PolarHBondContact O-N 3.38Å; P152-P204 WeakPolarHBondContact O-CA 3.38Å; P152-P204 WeakPolarHBondContact O-CD 3.2Å; P152-P204 VanDerWaalsContact O-N 3.11Å; P152-L209 HydrophobicContact CB-CD1 4.42Å; P152-L209 HydrophobicContact CB-CD2 3.55Å; P152-L209 HydrophobicContact CG-CD1 3.96Å; P152-L209 HydrophobicContact CG-CD2 4.01Å; P152-T315 HydrophobicContact CG-CG2 3.85Å |
| 153 | Q | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -99.3 | 124.8 | 177.8 | -52.4 | 83 | 16.4 | 0 | 0 | 110.1 | Y151 S155 P204 Y253 E256 V257 T260 V312 | Y151-Q153 VanDerWaalsContact C-N 3.29Å; Y151-Q153 PolarHBondContact O-N 2.96Å; Q153-S155 PolarHBondContact O-N 3.28Å; Q153-P204 HydrophobicContact CG-CB 4Å; Q153-Y253 HydrophobicContact CB-CD2 3.78Å; Q153-Y253 HydrophobicContact CB-CE2 3.88Å; Q153-E256 WeakPolarHBondContact CA-OE2 3.35Å; Q153-E256 HydrophobicContact CB-CB 3.77Å; Q153-E256 HydrophobicContact CG-CB 3.99Å; Q153-V257 HydrophobicContact CB-CG2 3.97Å; Q153-V257 HydrophobicContact CG-CB 4.36Å; Q153-V257 HydrophobicContact CG-CG2 3.7Å; Q153-T260 PolarHBondContact NE2-OG1 3.31Å; Q153-V312 PolarHBondContact NE2-O 3.16Å |
| 154 | Y | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 5 Ų | 5 | 2% | 0.024 | 3% | 0.028 | C | C | . | . | trans | -67.3 | 133.7 | -179.7 | 178.8 | -87.7 | 0 | 0 | 0 | 111.4 | D201 P252 Y253 E256 F376 | Y154-D201 HydrophobicContact CD2-CB 4.18Å; Y154-D201 HydrophobicContact CE2-CB 4.49Å; Y154-P252 HydrophobicContact CD1-CG 3.73Å; Y154-P252 HydrophobicContact CE1-CG 4.47Å; Y154-Y253 WeakPolarHBondContact O-CA 3.38Å; Y154-Y253 WeakPolarHBondContact O-CB 3.3Å; Y154-Y253 PolarHBondContact O-N 3.38Å; Y154-E256 PolarHBondContact N-OE2 3.44Å; Y154-F376 AromaticContact CE2-CD2 3.71Å; Y154-F376 HydrophobicContact CE2-CD2 3.71Å; Y154-F376 AromaticContact CE2-CE2 3.85Å; Y154-F376 HydrophobicContact CE2-CE2 3.85Å | ||
| 155 | S | 96.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 1% | 0.007 | 3% | 0.03 | C | C | . | . | trans | -133.5 | 147.7 | 160.4 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | Q153 T157 T158 S159 G160 D251 | Q153-S155 PolarHBondContact O-N 3.28Å; S155-T157 PolarHBondContact O-N 2.98Å; S155-T157 PolarHBondContact OG-N 3.16Å; S155-T157 VanDerWaalsContact OG-N 3.07Å; S155-T157 PolarHBondContact OG-OG1 3.22Å; S155-T158 WeakPolarHBondContact CB-OG1 3.37Å; S155-T158 PolarHBondContact O-N 3.06Å; S155-S159 PolarHBondContact O-N 2.84Å; S155-G160 PolarHBondContact O-N 3.23Å; S155-D251 PolarHBondContact OG-OD2 2.88Å | ||
| 156 | C | 94.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 5.4 Ų | 5.4 | 10% | 0.095 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.5 | 171.1 | 76.7 | 0 | 0 | 0 | 0 | 112.3 | S161 D251 | C156-S161 PolarHBondContact O-N 2.58Å; C156-S161 VanDerWaalsContact O-N 3.13Å; C156-D251 VanDerWaalsContact CB-OD2 3.25Å; C156-D251 WeakPolarHBondContact CB-OD2 3.36Å; C156-D251 PolarHBondContact N-OD2 3.17Å; C156-D251 PolarHBondContact SG-OD2 3.26Å |
| 157 | T | 92.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 5.5 Ų | 5.5 | 15% | 0.153 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -5 | 179.7 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | S155 S161 V246 | S155-T157 PolarHBondContact O-N 2.98Å; S155-T157 PolarHBondContact OG-N 3.16Å; S155-T157 VanDerWaalsContact OG-N 3.07Å; S155-T157 PolarHBondContact OG-OG1 3.22Å; T157-S161 PolarHBondContact O-OG 2.74Å; T157-S161 VanDerWaalsContact O-OG 3.08Å; T157-V246 HydrophobicContact CG2-CG1 4.19Å; T157-V246 HydrophobicContact CG2-CG2 4.24Å |
| 158 | T | 94.9 | Very high | 96 | Very high | 22 Ų | 22 | 9.4 Ų | 9.4 | 14% | 0.135 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -90.8 | 177.3 | 61 | 0 | 0 | 0 | 0 | 109.8 | Y151 S155 G160 S161 S162 | Y151-T158 HydrophobicContact CD1-CG2 4.31Å; Y151-T158 HydrophobicContact CE1-CG2 4.12Å; Y151-T158 HydrophobicContact CE2-CG2 4.44Å; S155-T158 WeakPolarHBondContact CB-OG1 3.37Å; S155-T158 PolarHBondContact O-N 3.06Å; T158-G160 VanDerWaalsContact C-N 3.34Å; T158-G160 PolarHBondContact O-N 3.13Å; T158-S161 PolarHBondContact O-N 2.96Å; T158-S161 PolarHBondContact O-OG 3.4Å; T158-S162 PolarHBondContact O-N 2.91Å; T158-S162 PolarHBondContact O-OG 3.09Å |
| 159 | S | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -51.7 | -48.9 | -179.7 | -44.1 | 0 | 0 | 0 | 0 | 112.5 | S149 S155 S162 L163 | S149-S159 VanDerWaalsContact OG-CB 3.24Å; S149-S159 WeakPolarHBondContact OG-CB 3.31Å; S149-S159 PolarHBondContact OG-OG 3.46Å; S155-S159 PolarHBondContact O-N 2.84Å; S159-S162 PolarHBondContact O-N 3.26Å; S159-L163 PolarHBondContact O-N 2.72Å |
| 160 | G | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S155 T158 L163 N164 | S155-G160 PolarHBondContact O-N 3.23Å; T158-G160 VanDerWaalsContact C-N 3.34Å; T158-G160 PolarHBondContact O-N 3.13Å; G160-L163 PolarHBondContact O-N 3.47Å; G160-N164 PolarHBondContact O-N 3.31Å; G160-N164 PolarHBondContact O-OD1 3.45Å; G160-N164 VanDerWaalsContact O-OD1 3.12Å |
| 161 | S | 94.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | -179.5 | 78 | 0 | 0 | 0 | 0 | 113.3 | R124 C156 T157 T158 N164 T165 | R124-S161 VanDerWaalsContact CZ-OG 3.29Å; R124-S161 PolarHBondContact NE-O 2.68Å; R124-S161 PolarHBondContact NE-OG 3.41Å; R124-S161 PolarHBondContact NH1-OG 3.41Å; C156-S161 PolarHBondContact O-N 2.58Å; C156-S161 VanDerWaalsContact O-N 3.13Å; T157-S161 PolarHBondContact O-OG 2.74Å; T157-S161 VanDerWaalsContact O-OG 3.08Å; T158-S161 PolarHBondContact O-N 2.96Å; T158-S161 PolarHBondContact O-OG 3.4Å; S161-N164 WeakPolarHBondContact O-CB 3.33Å; S161-N164 PolarHBondContact O-N 2.99Å; S161-T165 PolarHBondContact O-N 3.08Å; S161-T165 VanDerWaalsContact O-N 3.1Å; S161-T165 PolarHBondContact O-OG1 3.48Å |
| 162 | S | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.2 | -63 | 0 | 0 | 0 | 0 | 111.3 | R124 T158 S159 T165 V166 | R124-S162 WeakPolarHBondContact CD-OG 3.48Å; T158-S162 PolarHBondContact O-N 2.91Å; T158-S162 PolarHBondContact O-OG 3.09Å; S159-S162 PolarHBondContact O-N 3.26Å; S162-T165 WeakPolarHBondContact O-CB 3.11Å; S162-T165 PolarHBondContact O-N 3.04Å; S162-V166 PolarHBondContact O-N 3.3Å |
| 163 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.1 | -33.5 | 177.2 | -169.8 | 67.7 | 0 | 0 | 0 | 112 | A147 S159 G160 T165 V166 V167 F199 F376 T391 | A147-L163 HydrophobicContact CB-CD1 4.04Å; S159-L163 PolarHBondContact O-N 2.72Å; G160-L163 PolarHBondContact O-N 3.47Å; L163-T165 PolarHBondContact O-N 3.1Å; L163-V166 HydrophobicContact CD1-CB 4.33Å; L163-V166 HydrophobicContact CD1-CG2 4.39Å; L163-V166 WeakPolarHBondContact O-CB 3.24Å; L163-V166 PolarHBondContact O-N 3.27Å; L163-V166 VanDerWaalsContact O-N 3.16Å; L163-V167 PolarHBondContact O-N 3.23Å; L163-F199 HydrophobicContact CB-CE1 4.15Å; L163-F199 HydrophobicContact CB-CE2 4.44Å; L163-F199 HydrophobicContact CB-CZ 4.1Å; L163-F199 HydrophobicContact CD1-CD2 4.41Å; L163-F199 HydrophobicContact CD1-CG 4.49Å; L163-F199 HydrophobicContact CD2-CB 4.22Å; L163-F199 HydrophobicContact CD2-CD1 3.39Å; L163-F199 HydrophobicContact CD2-CD2 4.34Å; L163-F199 HydrophobicContact CD2-CE1 3.74Å; L163-F199 HydrophobicContact CD2-CG 3.76Å; L163-F199 HydrophobicContact CD2-CZ 4.39Å; L163-F199 HydrophobicContact CG-CD1 4.45Å; L163-F376 HydrophobicContact CD2-CE1 4.2Å; L163-F376 HydrophobicContact CD2-CE2 4.39Å; L163-F376 HydrophobicContact CD2-CZ 3.69Å; L163-T391 HydrophobicContact CB-CG2 3.98Å; L163-T391 HydrophobicContact CD2-CG2 3.34Å; L163-T391 HydrophobicContact CG-CG2 3.43Å; L163-T391 VanDerWaalsContact CG-CG2 3.43Å |
| 164 | N | 94.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.7 | -37 | 171.4 | -66.5 | -11.4 | 0 | 0 | 0 | 111.5 | E57 G160 S161 V167 R168 T391 | E57-N164 WeakPolarHBondContact OE2-CB 3.24Å; E57-N164 PolarHBondContact OE2-ND2 3.25Å; G160-N164 PolarHBondContact O-N 3.31Å; G160-N164 PolarHBondContact O-OD1 3.45Å; G160-N164 VanDerWaalsContact O-OD1 3.12Å; S161-N164 WeakPolarHBondContact O-CB 3.33Å; S161-N164 PolarHBondContact O-N 2.99Å; N164-V167 PolarHBondContact O-N 2.73Å; N164-R168 VanDerWaalsContact O-CB 3.26Å; N164-R168 WeakPolarHBondContact O-CB 3.45Å; N164-R168 PolarHBondContact O-N 3.23Å; N164-T391 WeakPolarHBondContact CA-OG1 3.42Å; N164-T391 WeakPolarHBondContact OD1-CB 3.22Å; N164-T391 PolarHBondContact OD1-OG1 3.24Å |
| 165 | T | 93.7 | Very high | 92.5 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.8 | -61.9 | 0 | 0 | 0 | 0 | 112 | R124 V130 E131 S161 S162 L163 V167 R168 H169 | R124-T165 PolarHBondContact NE-OG1 3.06Å; R124-T165 PolarHBondContact NH2-OG1 3.2Å; R124-T165 VanDerWaalsContact NH2-OG1 3.16Å; V130-T165 HydrophobicContact CB-CG2 3.78Å; V130-T165 HydrophobicContact CG1-CG2 3.66Å; V130-T165 HydrophobicContact CG2-CG2 4.3Å; E131-T165 WeakPolarHBondContact OE1-CG2 3.03Å; S161-T165 PolarHBondContact O-N 3.08Å; S161-T165 VanDerWaalsContact O-N 3.1Å; S161-T165 PolarHBondContact O-OG1 3.48Å; S162-T165 WeakPolarHBondContact O-CB 3.11Å; S162-T165 PolarHBondContact O-N 3.04Å; L163-T165 PolarHBondContact O-N 3.1Å; T165-V167 PolarHBondContact O-N 2.86Å; T165-R168 PolarHBondContact O-N 3.27Å; T165-H169 PolarHBondContact O-N 3.17Å |
| 166 | V | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.8 | -50.3 | 175.2 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | M32 L34 V130 V134 S162 L163 H169 Y170 W197 | M32-V166 HydrophobicContact CE-CG2 3.94Å; M32-V166 HydrophobicContact SD-CG2 4.18Å; L34-V166 HydrophobicContact CD2-CG2 4.46Å; V130-V166 HydrophobicContact CG1-CB 4.41Å; V130-V166 HydrophobicContact CG1-CG2 3.62Å; V134-V166 HydrophobicContact CG2-CG1 4.09Å; S162-V166 PolarHBondContact O-N 3.3Å; L163-V166 HydrophobicContact CD1-CB 4.33Å; L163-V166 HydrophobicContact CD1-CG2 4.39Å; L163-V166 WeakPolarHBondContact O-CB 3.24Å; L163-V166 PolarHBondContact O-N 3.27Å; L163-V166 VanDerWaalsContact O-N 3.16Å; V166-H169 PolarHBondContact O-N 3.22Å; V166-Y170 HydrophobicContact CG1-CD2 4.19Å; V166-Y170 HydrophobicContact CG1-CE2 4.08Å; V166-Y170 WeakPolarHBondContact O-CD2 3.45Å; V166-Y170 PolarHBondContact O-N 3.08Å; V166-W197 HydrophobicContact CG1-CH2 4.08Å; V166-W197 HydrophobicContact CG1-CZ2 4.2Å; V166-W197 HydrophobicContact CG1-CZ3 4.25Å |
| 167 | V | 94.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | -178.1 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | L163 N164 T165 H169 Y170 E171 T391 F394 | L163-V167 PolarHBondContact O-N 3.23Å; N164-V167 PolarHBondContact O-N 2.73Å; T165-V167 PolarHBondContact O-N 2.86Å; V167-H169 VanDerWaalsContact C-N 3.28Å; V167-H169 PolarHBondContact O-N 3.49Å; V167-Y170 WeakPolarHBondContact O-CB 3.28Å; V167-Y170 PolarHBondContact O-N 3.02Å; V167-E171 HydrophobicContact CG1-CG 4.46Å; V167-E171 WeakPolarHBondContact O-CG 3.35Å; V167-E171 PolarHBondContact O-N 3.29Å; V167-T391 HydrophobicContact CG2-CG2 4.02Å; V167-F394 HydrophobicContact CG1-CB 4.07Å; V167-F394 HydrophobicContact CG1-CD2 4.39Å; V167-F394 HydrophobicContact CG1-CG 4.28Å; V167-F394 HydrophobicContact CG2-CB 3.79Å; V167-F394 HydrophobicContact CG2-CD1 3.52Å; V167-F394 HydrophobicContact CG2-CD2 4.13Å; V167-F394 HydrophobicContact CG2-CE1 4.1Å; V167-F394 HydrophobicContact CG2-CG 3.53Å |
| 168 | R | 91.8 | Very high | 89.6 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.8 | -36.7 | 176.4 | -165.1 | -168.4 | -28.9 | -90.8 | -13.6 | 112.1 | E57 N164 T165 E171 S172 | E57-R168 IonicContact OE1-CZ 3.45Å; E57-R168 VanDerWaalsContact OE1-CZ 3.31Å; E57-R168 IonicContact OE1-NH1 3.1Å; E57-R168 PolarHBondContact OE1-NH1 3.09Å; E57-R168 IonicContact OE1-NH2 2.91Å; E57-R168 PolarHBondContact OE1-NH2 3.22Å; E57-R168 IonicContact OE2-NH2 3.92Å; E57-R168 PolarHBondContact OE2-NH2 2.91Å; N164-R168 VanDerWaalsContact O-CB 3.26Å; N164-R168 WeakPolarHBondContact O-CB 3.45Å; N164-R168 PolarHBondContact O-N 3.23Å; T165-R168 PolarHBondContact O-N 3.27Å; R168-E171 CarbonylContact O-C 3.56Å; R168-E171 PolarHBondContact O-N 3.22Å; R168-S172 WeakPolarHBondContact O-CB 3.39Å; R168-S172 PolarHBondContact O-N 2.7Å |
| 169 | H | 93.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 176.7 | -171.7 | 51.5 | 0 | 0 | 0 | 111.7 | E131 N135 T165 V166 V167 E171 S172 F177 E184 P186 | E131-H169 HydrophobicContact CG-CB 4.23Å; E131-H169 PolarHBondContact O-NE2 3.16Å; N135-H169 PolarHBondContact OD1-NE2 3.13Å; T165-H169 PolarHBondContact O-N 3.17Å; V166-H169 PolarHBondContact O-N 3.22Å; V167-H169 VanDerWaalsContact C-N 3.28Å; V167-H169 PolarHBondContact O-N 3.49Å; H169-E171 VanDerWaalsContact C-N 3.3Å; H169-E171 PolarHBondContact O-N 3.39Å; H169-S172 PolarHBondContact O-N 2.83Å; H169-F177 HydrophobicContact CB-CZ 4.45Å; H169-F177 AromaticContact ND1-CE2 3.59Å; H169-F177 AromaticContact ND1-CZ 3.2Å; H169-F177 WeakPolarHBondContact ND1-CZ 3.47Å; H169-E184 PolarHBondContact CE1-O 3.18Å; H169-E184 VanDerWaalsContact CE1-O 3.24Å; H169-P186 WeakPolarHBondContact CD2-CG 3.48Å; H169-P186 WeakPolarHBondContact NE2-CG 3.26Å; H169-P186 WeakPolarHBondContact O-CD 3.3Å |
| 170 | Y | 92.3 | Very high | 87.7 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -37.1 | 171.9 | -83.9 | -66.6 | 0 | 0 | 0 | 113.8 | V134 E138 V166 V167 P186 V188 Q189 W197 F394 | V134-Y170 HydrophobicContact CG1-CE1 4.39Å; V134-Y170 HydrophobicContact CG1-CE2 3.87Å; E138-Y170 WeakPolarHBondContact OE1-CE1 3.42Å; E138-Y170 VanDerWaalsContact OE1-CZ 3.27Å; E138-Y170 PolarHBondContact OE1-OH 3.17Å; V166-Y170 HydrophobicContact CG1-CD2 4.19Å; V166-Y170 HydrophobicContact CG1-CE2 4.08Å; V166-Y170 WeakPolarHBondContact O-CD2 3.45Å; V166-Y170 PolarHBondContact O-N 3.08Å; V167-Y170 WeakPolarHBondContact O-CB 3.28Å; V167-Y170 PolarHBondContact O-N 3.02Å; Y170-P186 HydrophobicContact CD1-CB 3.94Å; Y170-P186 HydrophobicContact CD1-CG 4.11Å; Y170-P186 HydrophobicContact CE1-CB 3.94Å; Y170-P186 HydrophobicContact CE1-CG 4.4Å; Y170-V188 HydrophobicContact CE1-CB 4.13Å; Y170-V188 HydrophobicContact CE1-CG2 4.19Å; Y170-Q189 PolarHBondContact O-NE2 3.12Å; Y170-W197 AromaticContact CE2-CE2 3.91Å; Y170-W197 AromaticContact CE2-CZ2 3.96Å; Y170-W197 HydrophobicContact CE2-CZ2 3.96Å; Y170-W197 AromaticContact CE2-NE1 3.57Å; Y170-W197 AromaticContact CZ-NE1 3.7Å; Y170-W197 PolarHBondContact OH-NE1 3.18Å; Y170-F394 HydrophobicContact CD2-CE2 4.01Å; Y170-F394 HydrophobicContact CD2-CZ 4.04Å; Y170-F394 HydrophobicContact CE2-CE2 4.45Å; Y170-F394 HydrophobicContact CE2-CZ 4.12Å; Y170-F394 HydrophobicContact CG-CE2 4.46Å |
| 171 | E | 89.8 | Confident | 87.4 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -84.8 | -6.7 | 179.6 | -67.1 | 177.2 | 166.7 | 0 | 0 | 113.6 | V167 R168 H169 R390 | V167-E171 HydrophobicContact CG1-CG 4.46Å; V167-E171 WeakPolarHBondContact O-CG 3.35Å; V167-E171 PolarHBondContact O-N 3.29Å; R168-E171 CarbonylContact O-C 3.56Å; R168-E171 PolarHBondContact O-N 3.22Å; H169-E171 VanDerWaalsContact C-N 3.3Å; H169-E171 PolarHBondContact O-N 3.39Å; E171-R390 WeakPolarHBondContact OE1-CD 3.33Å; E171-R390 IonicContact OE1-NE 3.02Å; E171-R390 WeakPolarHBondContact OE2-CD 3.32Å; E171-R390 IonicContact OE2-CZ 2.8Å; E171-R390 IonicContact OE2-NE 3.31Å; E171-R390 PolarHBondContact OE2-NE 3.41Å |
| 172 | S | 88.4 | Confident | 87.1 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | trans | -73.9 | 136.3 | -173.1 | -163.9 | 0 | 0 | 0 | 0 | 111.6 | R168 H169 E174 L185 Q189 | R168-S172 WeakPolarHBondContact O-CB 3.39Å; R168-S172 PolarHBondContact O-N 2.7Å; H169-S172 PolarHBondContact O-N 2.83Å; S172-E174 PolarHBondContact OG-N 3.04Å; S172-E174 PolarHBondContact OG-O 3.21Å; S172-L185 WeakPolarHBondContact O-CD2 2.87Å; S172-Q189 PolarHBondContact O-NE2 3.43Å | ||
| 173 | E | 85.5 | Confident | 86.9 | Confident | 181 Ų | 181 | 51.1 Ų | 51.1 | 85% | 0.846 | 26% | 0.261 | S | S | * | . | trans | -101.2 | -12.6 | 167.7 | -60.9 | -175.3 | 163.7 | 0 | 0 | 111.6 | ||||
| 174 | E | 83.5 | Confident | 86.7 | Confident | 140 Ų | 140 | 57.7 Ų | 57.7 | 65% | 0.654 | 29% | 0.292 | S | S | * | . | trans | -108.8 | 138.7 | -178.2 | -65.2 | -174.6 | -174.3 | 0 | 0 | 111 | S172 | S172-E174 PolarHBondContact OG-N 3.04Å; S172-E174 PolarHBondContact OG-O 3.21Å | ||
| 175 | K | 82.4 | Confident | 86.5 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | trans | -80.9 | -15.5 | 177.1 | -66.7 | -173.1 | -178.8 | -174.1 | 0 | 113.3 | F177 S182 I183 L185 | K175-F177 WeakPolarHBondContact O-CD2 3.42Å; K175-F177 PolarHBondContact O-N 3.21Å; K175-S182 CarbonylContact O-C 3.55Å; K175-S182 VanDerWaalsContact O-CA 3.24Å; K175-S182 WeakPolarHBondContact O-CA 3.45Å; K175-I183 WeakPolarHBondContact CA-O 3.42Å; K175-I183 VanDerWaalsContact CB-O 3.25Å; K175-I183 WeakPolarHBondContact CB-O 3.44Å; K175-I183 WeakPolarHBondContact CG-O 3.34Å; K175-I183 PolarHBondContact O-N 3.09Å; K175-L185 HydrophobicContact CG-CD2 4.46Å; K175-L185 HydrophobicContact CG-CG 4.14Å | ||
| 176 | N | 78.2 | Confident | 86.2 | Confident | 90 Ų | 90 | 59.2 Ų | 59.2 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.1 | -173.8 | -171.9 | -34.6 | 0 | 0 | 0 | 110.8 | G179 | N176-G179 VanDerWaalsContact OD1-CA 3.23Å; N176-G179 WeakPolarHBondContact OD1-CA 3.22Å; N176-G179 PolarHBondContact OD1-N 3.22Å; N176-G179 VanDerWaalsContact OD1-N 3.1Å |
| 177 | F | 72.9 | Confident | 85.7 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115.9 | 178.4 | -85.2 | -86.6 | 0 | 0 | 0 | 112 | E131 H169 K175 G179 V180 E181 I183 | E131-F177 HydrophobicContact CB-CE2 4.39Å; E131-F177 HydrophobicContact CB-CZ 4.34Å; E131-F177 HydrophobicContact CG-CD1 3.53Å; E131-F177 HydrophobicContact CG-CD2 4.05Å; E131-F177 HydrophobicContact CG-CE1 3.2Å; E131-F177 HydrophobicContact CG-CE2 3.75Å; E131-F177 HydrophobicContact CG-CG 3.96Å; E131-F177 HydrophobicContact CG-CZ 3.33Å; E131-F177 WeakPolarHBondContact OE1-CD1 3.3Å; E131-F177 WeakPolarHBondContact OE1-CE1 3.43Å; H169-F177 HydrophobicContact CB-CZ 4.45Å; H169-F177 AromaticContact ND1-CE2 3.59Å; H169-F177 AromaticContact ND1-CZ 3.2Å; H169-F177 WeakPolarHBondContact ND1-CZ 3.47Å; K175-F177 WeakPolarHBondContact O-CD2 3.42Å; K175-F177 PolarHBondContact O-N 3.21Å; F177-G179 PolarHBondContact O-N 3.36Å; F177-V180 PolarHBondContact O-N 2.94Å; F177-V180 VanDerWaalsContact O-N 3.08Å; F177-E181 PolarHBondContact N-O 3.2Å; F177-I183 HydrophobicContact CB-CD1 4.39Å; F177-I183 HydrophobicContact CD2-CB 3.91Å; F177-I183 HydrophobicContact CD2-CD1 4.18Å; F177-I183 HydrophobicContact CD2-CG1 4.21Å; F177-I183 HydrophobicContact CE2-CB 4.27Å; F177-I183 HydrophobicContact CG-CD1 4.34Å |
| 178 | N | 73.1 | Confident | 84.9 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 21 | 175.3 | -63.7 | -42.5 | 0 | 0 | 0 | 114.7 | R51 V180 | R51-N178 HydrophobicContact CB-CB 4.42Å; R51-N178 HydrophobicContact CG-CB 4.21Å; N178-V180 VanDerWaalsContact C-N 3.28Å; N178-V180 PolarHBondContact O-N 3.32Å |
| 179 | G | 71.2 | Confident | 83.7 | Confident | 27 Ų | 27 | 63 Ų | 63 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 18.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R69 N176 F177 | R69-G179 PolarHBondContact NH2-O 2.8Å; N176-G179 VanDerWaalsContact OD1-CA 3.23Å; N176-G179 WeakPolarHBondContact OD1-CA 3.22Å; N176-G179 PolarHBondContact OD1-N 3.22Å; N176-G179 VanDerWaalsContact OD1-N 3.1Å; F177-G179 PolarHBondContact O-N 3.36Å |
| 180 | V | 80.6 | Confident | 82.1 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -48.4 | -178.6 | -176 | 0 | 0 | 0 | 0 | 111.8 | N47 T50 R51 F177 N178 | N47-V180 HydrophobicContact CB-CG1 4.35Å; T50-V180 HydrophobicContact CG2-CG2 3.83Å; R51-V180 HydrophobicContact CG-CB 4.35Å; R51-V180 HydrophobicContact CG-CG2 3.75Å; F177-V180 PolarHBondContact O-N 2.94Å; F177-V180 VanDerWaalsContact O-N 3.08Å; N178-V180 VanDerWaalsContact C-N 3.28Å; N178-V180 PolarHBondContact O-N 3.32Å |
| 181 | E | 87.8 | Confident | 80.5 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 167.4 | -179.3 | 77.4 | -160 | 132.8 | 0 | 0 | 112.2 | R51 H127 L129 F177 I183 | R51-E181 IonicContact CZ-OE1 3.48Å; R51-E181 IonicContact NE-OE1 2.72Å; R51-E181 IonicContact NH2-OE1 2.69Å; R51-E181 PolarHBondContact NH2-OE1 3.05Å; R51-E181 IonicContact NH2-OE2 2.76Å; H127-E181 IonicContact CE1-OE1 3.66Å; H127-E181 PolarHBondContact CE1-OE1 3.12Å; H127-E181 VanDerWaalsContact CE1-OE1 3.29Å; H127-E181 IonicContact CE1-OE2 3.75Å; H127-E181 PolarHBondContact CE1-OE2 3.45Å; H127-E181 VanDerWaalsContact NE2-CD 3.3Å; H127-E181 IonicContact NE2-OE1 3.72Å; H127-E181 PolarHBondContact NE2-OE1 3.19Å; H127-E181 IonicContact NE2-OE2 3.23Å; H127-E181 PolarHBondContact NE2-OE2 3.24Å; L129-E181 WeakPolarHBondContact CD1-OE1 3.28Å; F177-E181 PolarHBondContact N-O 3.2Å; E181-I183 HydrophobicContact CG-CD1 4.36Å; E181-I183 HydrophobicContact CG-CG1 4.06Å |
| 182 | S | 89.9 | Confident | 79.1 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.8 | 174.4 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | K175 | K175-S182 CarbonylContact O-C 3.55Å; K175-S182 VanDerWaalsContact O-CA 3.24Å; K175-S182 WeakPolarHBondContact O-CA 3.45Å |
| 183 | I | 91.2 | Very high | 78.3 | Confident | 12 Ų | 12 | 83.1 Ų | 83.1 | 6% | 0.062 | 43% | 0.433 | C | S | . | . | trans | -119.4 | 140.4 | 175.8 | -55.8 | 175.8 | 0 | 0 | 0 | 108.2 | L129 E131 K175 F177 E181 | L129-I183 HydrophobicContact CB-CD1 4.45Å; L129-I183 HydrophobicContact CD1-CD1 3.77Å; E131-I183 HydrophobicContact CB-CB 4.4Å; E131-I183 HydrophobicContact CB-CD1 3.69Å; E131-I183 HydrophobicContact CB-CG2 3.91Å; E131-I183 HydrophobicContact CG-CD1 4.25Å; K175-I183 WeakPolarHBondContact CA-O 3.42Å; K175-I183 VanDerWaalsContact CB-O 3.25Å; K175-I183 WeakPolarHBondContact CB-O 3.44Å; K175-I183 WeakPolarHBondContact CG-O 3.34Å; K175-I183 PolarHBondContact O-N 3.09Å; F177-I183 HydrophobicContact CB-CD1 4.39Å; F177-I183 HydrophobicContact CD2-CB 3.91Å; F177-I183 HydrophobicContact CD2-CD1 4.18Å; F177-I183 HydrophobicContact CD2-CG1 4.21Å; F177-I183 HydrophobicContact CE2-CB 4.27Å; F177-I183 HydrophobicContact CG-CD1 4.34Å; E181-I183 HydrophobicContact CG-CD1 4.36Å; E181-I183 HydrophobicContact CG-CG1 4.06Å | ||
| 184 | E | 91 | Very high | 78.3 | Confident | 137 Ų | 137 | 76.3 Ų | 76.3 | 64% | 0.64 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 148.7 | 177.6 | -65 | -176.6 | 159.4 | 0 | 0 | 111.5 | N135 H169 | N135-E184 PolarHBondContact ND2-O 3.05Å; H169-E184 PolarHBondContact CE1-O 3.18Å; H169-E184 VanDerWaalsContact CE1-O 3.24Å |
| 185 | L | 90.2 | Very high | 78.9 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 154.7 | 174.9 | -61.8 | 178.8 | 0 | 0 | 0 | 110.5 | S172 K175 | S172-L185 WeakPolarHBondContact O-CD2 2.87Å; K175-L185 HydrophobicContact CG-CD2 4.46Å; K175-L185 HydrophobicContact CG-CG 4.14Å |
| 186 | P | 88.1 | Confident | 79.6 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 142.1 | 175.6 | -28.4 | 38.9 | 0 | 0 | 0 | 113 | V134 H169 Y170 V188 Q189 | V134-P186 HydrophobicContact CG1-CG 4.38Å; H169-P186 WeakPolarHBondContact CD2-CG 3.48Å; H169-P186 WeakPolarHBondContact NE2-CG 3.26Å; H169-P186 WeakPolarHBondContact O-CD 3.3Å; Y170-P186 HydrophobicContact CD1-CB 3.94Å; Y170-P186 HydrophobicContact CD1-CG 4.11Å; Y170-P186 HydrophobicContact CE1-CB 3.94Å; Y170-P186 HydrophobicContact CE1-CG 4.4Å; P186-V188 VanDerWaalsContact C-N 3.29Å; P186-V188 PolarHBondContact O-N 3.34Å; P186-Q189 PolarHBondContact O-N 2.9Å |
| 187 | S | 85 | Confident | 80.5 | Confident | 34 Ų | 34 | 62 Ų | 62 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -71.2 | -23 | -179.2 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | E138 Q189 N190 | E138-S187 WeakPolarHBondContact OE2-CA 3.21Å; E138-S187 WeakPolarHBondContact OE2-CB 3.1Å; E138-S187 PolarHBondContact OE2-N 3.23Å; E138-S187 PolarHBondContact OE2-OG 2.77Å; S187-Q189 PolarHBondContact O-N 2.95Å; S187-N190 VanDerWaalsContact O-CB 3.25Å; S187-N190 WeakPolarHBondContact O-CB 3.49Å; S187-N190 PolarHBondContact O-N 3.47Å; S187-N190 PolarHBondContact O-ND2 2.76Å |
| 188 | V | 77.5 | Confident | 81.7 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -57.4 | -27.3 | 176 | 170.6 | 0 | 0 | 0 | 0 | 112.3 | E138 Y170 P186 N190 N191 | E138-V188 HydrophobicContact CG-CG2 4.36Å; E138-V188 WeakPolarHBondContact OE1-CG2 3.36Å; E138-V188 PolarHBondContact OE2-N 3.02Å; Y170-V188 HydrophobicContact CE1-CB 4.13Å; Y170-V188 HydrophobicContact CE1-CG2 4.19Å; P186-V188 VanDerWaalsContact C-N 3.29Å; P186-V188 PolarHBondContact O-N 3.34Å; V188-N190 PolarHBondContact O-N 3.35Å; V188-N191 PolarHBondContact O-N 3.04Å |
| 189 | Q | 65.5 | Low | 82.9 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -59.9 | -15.5 | 171.7 | -65 | -175 | -10.9 | 0 | 0 | 113.1 | Y170 S172 P186 S187 N191 | Y170-Q189 PolarHBondContact O-NE2 3.12Å; S172-Q189 PolarHBondContact O-NE2 3.43Å; P186-Q189 PolarHBondContact O-N 2.9Å; S187-Q189 PolarHBondContact O-N 2.95Å; Q189-N191 PolarHBondContact O-N 3.26Å |
| 190 | N | 60.6 | Low | 84.2 | Confident | 115 Ų | 115 | 57.7 Ų | 57.7 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -93.7 | 32.9 | 176.1 | -56.7 | -54.8 | 0 | 0 | 0 | 113.8 | S187 V188 R192 | S187-N190 VanDerWaalsContact O-CB 3.25Å; S187-N190 WeakPolarHBondContact O-CB 3.49Å; S187-N190 PolarHBondContact O-N 3.47Å; S187-N190 PolarHBondContact O-ND2 2.76Å; V188-N190 PolarHBondContact O-N 3.35Å; N190-R192 PolarHBondContact O-N 2.94Å |
| 191 | N | 58.4 | Low | 85.1 | Confident | 166 Ų | 166 | 55.8 Ų | 55.8 | 89% | 0.888 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.2 | -178.2 | -66 | -27.6 | 0 | 0 | 0 | 114.9 | V188 Q189 | V188-N191 PolarHBondContact O-N 3.04Å; Q189-N191 PolarHBondContact O-N 3.26Å |
| 192 | R | 60.3 | Low | 85.6 | Confident | 164 Ų | 164 | 55 Ų | 55 | 62% | 0.619 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -94.8 | 138.8 | 172.6 | -65 | -177.4 | -178.7 | -176.5 | 0.7 | 109.5 | N190 G194 | N190-R192 PolarHBondContact O-N 2.94Å; R192-G194 PolarHBondContact O-N 3.34Å |
| 193 | P | 71.3 | Confident | 86 | Confident | 129 Ų | 129 | 51 Ų | 51 | 84% | 0.838 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -63 | 128.1 | 173.2 | 26.4 | -31.9 | 0 | 0 | 0 | 109.6 | ||
| 194 | G | 86.6 | Confident | 86.3 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 173.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R192 | R192-G194 PolarHBondContact O-N 3.34Š|
| 195 | P | 94.9 | Very high | 86.7 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 153.3 | 172.6 | 27.9 | -34.4 | 0 | 0 | 0 | 111.7 | I137 V142 V145 W197 | I137-P195 HydrophobicContact CG2-CB 4.49Å; I137-P195 HydrophobicContact CG2-CG 4.05Å; V142-P195 WeakPolarHBondContact O-CB 3.23Å; V145-P195 HydrophobicContact CB-CB 4.43Å; V145-P195 HydrophobicContact CG2-CB 3.56Å; V145-P195 HydrophobicContact CG2-CG 4Å; P195-W197 HydrophobicContact CG-CZ2 4.15Å; P195-W197 PolarHBondContact O-N 2.8Å |
| 196 | I | 96.5 | Very high | 87.1 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 115.9 | 172 | -56.8 | 167.8 | 0 | 0 | 0 | 108.5 | E143 R144 V145 Q401 V402 W405 | E143-I196 PolarHBondContact O-N 3.06Å; R144-I196 WeakPolarHBondContact CA-O 3.33Å; V145-I196 PolarHBondContact N-O 3.03Å; I196-Q401 HydrophobicContact CD1-CB 4Å; I196-Q401 HydrophobicContact CG1-CB 4Å; I196-Q401 HydrophobicContact CG2-CB 3.79Å; I196-V402 HydrophobicContact CG2-CB 4.41Å; I196-V402 HydrophobicContact CG2-CG2 3.52Å; I196-W405 HydrophobicContact CD1-CB 4Å; I196-W405 HydrophobicContact CD1-CG 4.23Å |
| 197 | W | 97.9 | Very high | 87.5 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 140.6 | -176.4 | -71.7 | 90.9 | 0 | 0 | 0 | 113.3 | M32 V134 I137 V145 A147 V166 Y170 P195 F394 I395 Q398 | M32-W197 HydrophobicContact SD-CH2 3.66Å; M32-W197 HydrophobicContact SD-CZ3 3.66Å; V134-W197 HydrophobicContact CG2-CH2 4.27Å; V134-W197 HydrophobicContact CG2-CZ2 4.39Å; I137-W197 HydrophobicContact CD1-CH2 4.12Å; V145-W197 HydrophobicContact CB-CD2 4.19Å; V145-W197 HydrophobicContact CB-CE3 3.87Å; V145-W197 HydrophobicContact CB-CH2 4.34Å; V145-W197 HydrophobicContact CB-CZ3 3.97Å; V145-W197 HydrophobicContact CG1-CD2 4.38Å; V145-W197 HydrophobicContact CG1-CE3 3.62Å; V145-W197 HydrophobicContact CG1-CH2 3.74Å; V145-W197 HydrophobicContact CG1-CZ2 4.47Å; V145-W197 HydrophobicContact CG1-CZ3 3.26Å; A147-W197 HydrophobicContact CB-CE3 4.29Å; A147-W197 HydrophobicContact CB-CZ3 4.31Å; V166-W197 HydrophobicContact CG1-CH2 4.08Å; V166-W197 HydrophobicContact CG1-CZ2 4.2Å; V166-W197 HydrophobicContact CG1-CZ3 4.25Å; Y170-W197 AromaticContact CE2-CE2 3.91Å; Y170-W197 AromaticContact CE2-CZ2 3.96Å; Y170-W197 HydrophobicContact CE2-CZ2 3.96Å; Y170-W197 AromaticContact CE2-NE1 3.57Å; Y170-W197 AromaticContact CZ-NE1 3.7Å; Y170-W197 PolarHBondContact OH-NE1 3.18Å; P195-W197 HydrophobicContact CG-CZ2 4.15Å; P195-W197 PolarHBondContact O-N 2.8Å; W197-F394 HydrophobicContact CB-CE1 3.91Å; W197-F394 HydrophobicContact CB-CZ 4.29Å; W197-F394 AromaticContact CD1-CZ 3.59Å; W197-F394 AromaticContact CG-CE1 3.9Å; W197-F394 HydrophobicContact CG-CE1 3.9Å; W197-F394 AromaticContact CG-CZ 3.89Å; W197-F394 HydrophobicContact CG-CZ 3.89Å; W197-I395 HydrophobicContact CB-CD1 4.11Å; W197-Q398 HydrophobicContact CB-CG 4.11Å; W197-Q398 VanDerWaalsContact N-OE1 3.12Å; W197-Q398 VanDerWaalsContact O-CB 3.23Å; W197-Q398 WeakPolarHBondContact O-CB 3.47Å; W197-Q398 WeakPolarHBondContact O-CG 3.4Å |
| 198 | S | 98.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 161.8 | 169.5 | 55.5 | 0 | 0 | 0 | 0 | 110 | V145 A147 H365 P371 | V145-S198 PolarHBondContact O-N 3.01Å; V145-S198 PolarHBondContact O-OG 3.2Å; A147-S198 WeakPolarHBondContact CB-O 3.48Å; A147-S198 PolarHBondContact N-O 3.07Å; S198-H365 VanDerWaalsContact CB-NE2 3.27Å; S198-H365 WeakPolarHBondContact CB-NE2 3.06Å; S198-H365 PolarHBondContact OG-NE2 3.28Å; S198-P371 CarbonylContact C-O 3.6Å; S198-P371 VanDerWaalsContact CA-O 3.29Å; S198-P371 WeakPolarHBondContact CA-O 3.28Å |
| 199 | F | 98.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 120.2 | -169.4 | -172.8 | -143.5 | 0 | 0 | 0 | 112.4 | L34 A147 L163 D201 H365 P371 C372 F376 I395 | L34-F199 HydrophobicContact CD1-CE2 3.94Å; A147-F199 HydrophobicContact CB-CB 4.49Å; A147-F199 HydrophobicContact CB-CD2 3.65Å; A147-F199 HydrophobicContact CB-CE2 4.37Å; A147-F199 HydrophobicContact CB-CG 4.46Å; A147-F199 CarbonylContact O-C 3.51Å; A147-F199 WeakPolarHBondContact O-CA 3.32Å; A147-F199 WeakPolarHBondContact O-CD2 3.49Å; L163-F199 HydrophobicContact CB-CE1 4.15Å; L163-F199 HydrophobicContact CB-CE2 4.44Å; L163-F199 HydrophobicContact CB-CZ 4.1Å; L163-F199 HydrophobicContact CD1-CD2 4.41Å; L163-F199 HydrophobicContact CD1-CG 4.49Å; L163-F199 HydrophobicContact CD2-CB 4.22Å; L163-F199 HydrophobicContact CD2-CD1 3.39Å; L163-F199 HydrophobicContact CD2-CD2 4.34Å; L163-F199 HydrophobicContact CD2-CE1 3.74Å; L163-F199 HydrophobicContact CD2-CG 3.76Å; L163-F199 HydrophobicContact CD2-CZ 4.39Å; L163-F199 HydrophobicContact CG-CD1 4.45Å; F199-D201 HydrophobicContact CD1-CB 3.33Å; F199-D201 HydrophobicContact CE1-CB 3.19Å; F199-D201 HydrophobicContact CE2-CB 4.5Å; F199-D201 HydrophobicContact CG-CB 4.09Å; F199-D201 HydrophobicContact CZ-CB 3.82Å; F199-D201 PolarHBondContact O-N 3.22Å; F199-H365 PolarHBondContact O-CE1 2.98Å; F199-P371 PolarHBondContact N-O 2.57Å; F199-C372 HydrophobicContact CB-CB 4.31Å; F199-C372 WeakPolarHBondContact O-CA 3.48Å; F199-F376 AromaticContact CD1-CD2 3.99Å; F199-F376 HydrophobicContact CD1-CD2 3.99Å; F199-F376 HydrophobicContact CD1-CE1 4.43Å; F199-F376 AromaticContact CD1-CE2 3.81Å; F199-F376 HydrophobicContact CD1-CE2 3.81Å; F199-F376 HydrophobicContact CD1-CG 4.39Å; F199-F376 HydrophobicContact CD1-CZ 4.06Å; F199-F376 AromaticContact CE1-CD2 3.9Å; F199-F376 HydrophobicContact CE1-CD2 3.9Å; F199-F376 AromaticContact CE1-CE2 3.57Å; F199-F376 HydrophobicContact CE1-CE2 3.57Å; F199-F376 HydrophobicContact CE1-CZ 4.15Å; F199-I395 HydrophobicContact CB-CD1 4.22Å; F199-I395 HydrophobicContact CB-CG1 4.26Å |
| 200 | I | 98.7 | Very high | 90.8 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 95.4 | 162.1 | -61.2 | 171.9 | 0 | 0 | 0 | 106.8 | V146 A147 F148 S149 L361 V362 H365 | V146-I200 HydrophobicContact CG1-CD1 3.63Å; V146-I200 HydrophobicContact CG1-CG1 3.71Å; A147-I200 PolarHBondContact O-N 2.93Å; F148-I200 HydrophobicContact CD1-CD1 4.38Å; F148-I200 HydrophobicContact CD2-CB 3.7Å; F148-I200 HydrophobicContact CD2-CD1 4.11Å; F148-I200 HydrophobicContact CD2-CG1 4.5Å; F148-I200 HydrophobicContact CD2-CG2 3.66Å; F148-I200 HydrophobicContact CE2-CB 4.21Å; F148-I200 HydrophobicContact CE2-CD1 4.36Å; F148-I200 HydrophobicContact CE2-CG2 3.65Å; F148-I200 HydrophobicContact CG-CB 4.33Å; F148-I200 HydrophobicContact CG-CD1 4.15Å; S149-I200 WeakPolarHBondContact CB-O 3.33Å; S149-I200 PolarHBondContact N-O 3.49Å; S149-I200 VanDerWaalsContact N-O 3.07Å; I200-L361 HydrophobicContact CG2-CD2 4.42Å; I200-V362 HydrophobicContact CD1-CG2 4Å; I200-H365 HydrophobicContact CD1-CB 3.77Å; I200-H365 HydrophobicContact CG1-CB 3.81Å |
| 201 | D | 98.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | trans | -89.6 | -25.7 | -171.5 | 70.1 | -73.8 | 0 | 0 | 0 | 114.3 | Y154 F199 S373 F376 | Y154-D201 HydrophobicContact CD2-CB 4.18Å; Y154-D201 HydrophobicContact CE2-CB 4.49Å; F199-D201 HydrophobicContact CD1-CB 3.33Å; F199-D201 HydrophobicContact CE1-CB 3.19Å; F199-D201 HydrophobicContact CE2-CB 4.5Å; F199-D201 HydrophobicContact CG-CB 4.09Å; F199-D201 HydrophobicContact CZ-CB 3.82Å; F199-D201 PolarHBondContact O-N 3.22Å; D201-S373 WeakPolarHBondContact OD1-CB 3.49Å; D201-S373 PolarHBondContact OD1-N 3.1Å; D201-S373 PolarHBondContact OD1-OG 3.42Å; D201-S373 PolarHBondContact OD2-OG 3.42Å; D201-F376 HydrophobicContact CB-CB 4.34Å; D201-F376 HydrophobicContact CB-CD2 3.83Å; D201-F376 HydrophobicContact CB-CG 4.3Å; D201-F376 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 202 | R | 98.4 | Very high | 94.5 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 15% | 0.151 | 19% | 0.194 | C | C | . | . | trans | -156.8 | 148.2 | -176.2 | 72.4 | -172.4 | 69.2 | -134.3 | -15.7 | 111.2 | E256 S373 Q375 | R202-E256 IonicContact CZ-OE1 3.87Å; R202-E256 IonicContact NH1-OE1 3.61Å; R202-E256 PolarHBondContact NH1-OE1 3.01Å; R202-S373 PolarHBondContact NE-OG 3.21Å; R202-Q375 VanDerWaalsContact CZ-CG 3.41Å | ||
| 203 | W | 98.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 27 Ų | 27 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | trans | -160.6 | 46.5 | 178.6 | 47.3 | -77.8 | 0 | 0 | 0 | 111.5 | F148 S149 Y151 P152 V205 F206 L209 T315 F354 L358 L361 | F148-W203 AromaticContact CE2-CE2 3.99Å; F148-W203 HydrophobicContact CE2-CZ2 4.39Å; F148-W203 AromaticContact CE2-NE1 3.65Å; S149-W203 PolarHBondContact O-NE1 2.8Å; Y151-W203 PolarHBondContact O-NE1 2.94Å; P152-W203 VanDerWaalsContact CA-CE2 3.48Å; P152-W203 HydrophobicContact CB-CD2 3.92Å; P152-W203 HydrophobicContact CB-CE3 3.97Å; P152-W203 HydrophobicContact CB-CH2 4.12Å; P152-W203 HydrophobicContact CB-CZ2 4.04Å; P152-W203 HydrophobicContact CB-CZ3 4.1Å; P152-W203 HydrophobicContact CG-CD2 4.49Å; P152-W203 HydrophobicContact CG-CE3 4.4Å; P152-W203 HydrophobicContact CG-CH2 3.67Å; P152-W203 HydrophobicContact CG-CZ2 3.74Å; P152-W203 HydrophobicContact CG-CZ3 4.02Å; P152-W203 CarbonylContact O-C 3.54Å; P152-W203 PolarHBondContact O-N 3.38Å; W203-V205 VanDerWaalsContact C-N 3.3Å; W203-V205 PolarHBondContact O-N 2.9Å; W203-F206 HydrophobicContact CB-CB 4.2Å; W203-F206 HydrophobicContact CE3-CB 4.01Å; W203-F206 AromaticContact CE3-CD1 3.91Å; W203-F206 HydrophobicContact CE3-CD1 3.91Å; W203-F206 HydrophobicContact CE3-CG 4.33Å; W203-F206 HydrophobicContact CZ3-CD1 4.24Å; W203-F206 VanDerWaalsContact O-CB 3.31Å; W203-F206 WeakPolarHBondContact O-CB 3.42Å; W203-F206 PolarHBondContact O-N 2.86Å; W203-L209 HydrophobicContact CE3-CB 4.36Å; W203-L209 HydrophobicContact CE3-CD2 4.16Å; W203-L209 HydrophobicContact CH2-CD1 4.27Å; W203-L209 HydrophobicContact CZ3-CB 4.05Å; W203-L209 HydrophobicContact CZ3-CD1 3.75Å; W203-L209 HydrophobicContact CZ3-CD2 4.14Å; W203-L209 HydrophobicContact CZ3-CG 4.2Å; W203-T315 HydrophobicContact CH2-CG2 3.77Å; W203-T315 HydrophobicContact CZ2-CG2 4.4Å; W203-F354 HydrophobicContact CH2-CE2 4.22Å; W203-F354 AromaticContact CH2-CZ 3.76Å; W203-F354 HydrophobicContact CH2-CZ 3.76Å; W203-F354 AromaticContact CZ3-CE2 3.93Å; W203-F354 HydrophobicContact CZ3-CE2 3.93Å; W203-F354 AromaticContact CZ3-CZ 3.96Å; W203-F354 HydrophobicContact CZ3-CZ 3.96Å; W203-L358 HydrophobicContact CH2-CD2 4.11Å; W203-L358 HydrophobicContact CZ3-CD2 4.32Å; W203-L361 HydrophobicContact CB-CD1 4.42Å; W203-L361 HydrophobicContact CB-CD2 3.74Å; W203-L361 HydrophobicContact CD2-CD2 3.86Å; W203-L361 HydrophobicContact CE3-CD2 4.07Å; W203-L361 HydrophobicContact CG-CD2 3.72Å | ||
| 204 | P | 98.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 20.8 Ų | 20.8 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.4 | -164.6 | 30.1 | -39 | 0 | 0 | 0 | 114.3 | P152 Q153 E256 T260 | P152-P204 WeakPolarHBondContact O-CA 3.38Å; P152-P204 WeakPolarHBondContact O-CD 3.2Å; P152-P204 VanDerWaalsContact O-N 3.11Å; Q153-P204 HydrophobicContact CG-CB 4Å; P204-E256 HydrophobicContact CB-CB 4.08Å; P204-E256 HydrophobicContact CG-CB 4.3Å; P204-E256 HydrophobicContact CG-CG 4.23Å; P204-T260 WeakPolarHBondContact O-CB 3.46Å; P204-T260 WeakPolarHBondContact O-CG2 3.44Å; P204-T260 PolarHBondContact O-OG1 3.22Å |
| 205 | V | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 21.1 Ų | 21.1 | 48% | 0.479 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 24.8 | -178.6 | -64.3 | 0 | 0 | 0 | 0 | 112 | W203 A259 A263 | W203-V205 VanDerWaalsContact C-N 3.3Å; W203-V205 PolarHBondContact O-N 2.9Å; V205-A259 HydrophobicContact CG1-CB 3.98Å; V205-A263 HydrophobicContact CG1-CB 4.17Å |
| 206 | F | 97.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 22.1 Ų | 22.1 | 9% | 0.088 | 12% | 0.124 | C | C | . | . | trans | -62 | 124.3 | 177.6 | 176 | -127.6 | 0 | 0 | 0 | 111.1 | W203 P208 L209 I210 G357 L361 | W203-F206 HydrophobicContact CB-CB 4.2Å; W203-F206 HydrophobicContact CE3-CB 4.01Å; W203-F206 AromaticContact CE3-CD1 3.91Å; W203-F206 HydrophobicContact CE3-CD1 3.91Å; W203-F206 HydrophobicContact CE3-CG 4.33Å; W203-F206 HydrophobicContact CZ3-CD1 4.24Å; W203-F206 VanDerWaalsContact O-CB 3.31Å; W203-F206 WeakPolarHBondContact O-CB 3.42Å; W203-F206 PolarHBondContact O-N 2.86Å; F206-P208 HydrophobicContact CD1-CB 4.19Å; F206-P208 HydrophobicContact CD1-CG 4.31Å; F206-P208 HydrophobicContact CE1-CB 3.59Å; F206-P208 HydrophobicContact CE1-CG 3.56Å; F206-P208 VanDerWaalsContact CE2-CD 3.41Å; F206-P208 HydrophobicContact CE2-CG 3.93Å; F206-P208 HydrophobicContact CZ-CB 3.91Å; F206-P208 HydrophobicContact CZ-CG 3.31Å; F206-L209 HydrophobicContact CB-CB 4.25Å; F206-L209 HydrophobicContact CD1-CB 4.26Å; F206-L209 VanDerWaalsContact O-CB 3.24Å; F206-L209 WeakPolarHBondContact O-CB 3.05Å; F206-L209 PolarHBondContact O-N 2.81Å; F206-I210 PolarHBondContact O-N 2.74Å; F206-I210 VanDerWaalsContact O-N 3.16Å; F206-G357 WeakPolarHBondContact CE1-O 3.08Å; F206-G357 WeakPolarHBondContact CZ-O 3.28Å; F206-L361 HydrophobicContact CD1-CD2 4.13Å; F206-L361 HydrophobicContact CD2-CB 4.46Å; F206-L361 HydrophobicContact CD2-CD1 4.14Å; F206-L361 HydrophobicContact CE1-CB 4.07Å; F206-L361 HydrophobicContact CE1-CD2 4.31Å; F206-L361 HydrophobicContact CE2-CB 3.92Å; F206-L361 HydrophobicContact CE2-CD1 4.31Å; F206-L361 HydrophobicContact CG-CD2 4.29Å; F206-L361 HydrophobicContact CZ-CB 3.72Å | ||
| 207 | P | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 20.8 Ų | 20.8 | 51% | 0.506 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -56.8 | -44 | -167.8 | -24.7 | 32.2 | 0 | 0 | 0 | 115.4 | L209 I210 N211 | P207-L209 VanDerWaalsContact C-N 3.32Å; P207-L209 PolarHBondContact O-N 3.22Å; P207-I210 PolarHBondContact O-N 3.4Å; P207-I210 VanDerWaalsContact O-N 3.15Å; P207-N211 VanDerWaalsContact O-CB 3.3Å; P207-N211 WeakPolarHBondContact O-CB 3.49Å; P207-N211 PolarHBondContact O-N 3.2Å; P207-N211 PolarHBondContact O-ND2 3.33Å; P207-N211 PolarHBondContact O-OD1 3.4Å |
| 208 | P | 98.4 | Very high | 98.5 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 12% | 0.123 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.9 | -36.4 | 173.3 | -28.9 | 39.1 | 0 | 0 | 0 | 114.3 | F206 S212 | F206-P208 HydrophobicContact CD1-CB 4.19Å; F206-P208 HydrophobicContact CD1-CG 4.31Å; F206-P208 HydrophobicContact CE1-CB 3.59Å; F206-P208 HydrophobicContact CE1-CG 3.56Å; F206-P208 VanDerWaalsContact CE2-CD 3.41Å; F206-P208 HydrophobicContact CE2-CG 3.93Å; F206-P208 HydrophobicContact CZ-CB 3.91Å; F206-P208 HydrophobicContact CZ-CG 3.31Å; P208-S212 WeakPolarHBondContact O-CB 3.43Å; P208-S212 PolarHBondContact O-N 2.89Å; P208-S212 PolarHBondContact O-OG 3.35Å; P208-S212 VanDerWaalsContact O-OG 3.08Å |
| 209 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -50.2 | 172.5 | 178.6 | 74.6 | 0 | 0 | 0 | 110.9 | P152 W203 F206 P207 F213 T260 T315 L348 F354 | P152-L209 HydrophobicContact CB-CD1 4.42Å; P152-L209 HydrophobicContact CB-CD2 3.55Å; P152-L209 HydrophobicContact CG-CD1 3.96Å; P152-L209 HydrophobicContact CG-CD2 4.01Å; W203-L209 HydrophobicContact CE3-CB 4.36Å; W203-L209 HydrophobicContact CE3-CD2 4.16Å; W203-L209 HydrophobicContact CH2-CD1 4.27Å; W203-L209 HydrophobicContact CZ3-CB 4.05Å; W203-L209 HydrophobicContact CZ3-CD1 3.75Å; W203-L209 HydrophobicContact CZ3-CD2 4.14Å; W203-L209 HydrophobicContact CZ3-CG 4.2Å; F206-L209 HydrophobicContact CB-CB 4.25Å; F206-L209 HydrophobicContact CD1-CB 4.26Å; F206-L209 VanDerWaalsContact O-CB 3.24Å; F206-L209 WeakPolarHBondContact O-CB 3.05Å; F206-L209 PolarHBondContact O-N 2.81Å; P207-L209 VanDerWaalsContact C-N 3.32Å; P207-L209 PolarHBondContact O-N 3.22Å; L209-F213 HydrophobicContact CD1-CD2 3.95Å; L209-F213 HydrophobicContact CD1-CE2 3.56Å; L209-F213 HydrophobicContact CG-CD2 4.01Å; L209-F213 HydrophobicContact CG-CE2 4.01Å; L209-F213 WeakPolarHBondContact O-CD2 3.34Å; L209-F213 PolarHBondContact O-N 3.07Å; L209-T260 HydrophobicContact CD2-CG2 4.28Å; L209-T315 HydrophobicContact CD1-CG2 4.25Å; L209-L348 HydrophobicContact CD1-CD1 3.78Å; L209-F354 HydrophobicContact CB-CE2 4.23Å; L209-F354 HydrophobicContact CD1-CE2 3.79Å; L209-F354 HydrophobicContact CD1-CZ 4.31Å |
| 210 | I | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | -177.3 | -56.2 | -52.6 | 0 | 0 | 0 | 110.9 | F206 P207 A214 T260 A263 I264 Q267 | F206-I210 PolarHBondContact O-N 2.74Å; F206-I210 VanDerWaalsContact O-N 3.16Å; P207-I210 PolarHBondContact O-N 3.4Å; P207-I210 VanDerWaalsContact O-N 3.15Å; I210-A214 VanDerWaalsContact O-CB 3.3Å; I210-A214 WeakPolarHBondContact O-CB 3.24Å; I210-A214 PolarHBondContact O-N 3.23Å; I210-T260 HydrophobicContact CD1-CG2 3.89Å; I210-A263 HydrophobicContact CD1-CB 3.75Å; I210-A263 HydrophobicContact CG1-CB 3.95Å; I210-A263 HydrophobicContact CG2-CB 4.06Å; I210-A263 WeakPolarHBondContact CG2-O 3.46Å; I210-I264 HydrophobicContact CD1-CG1 3.99Å; I210-I264 HydrophobicContact CG2-CG1 4.06Å; I210-Q267 HydrophobicContact CG2-CG 3.7Å |
| 211 | N | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 29.7 Ų | 29.7 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.1 | -45.3 | -179.7 | -68.2 | -14.8 | 0 | 0 | 0 | 111.2 | P207 A214 S215 | P207-N211 VanDerWaalsContact O-CB 3.3Å; P207-N211 WeakPolarHBondContact O-CB 3.49Å; P207-N211 PolarHBondContact O-N 3.2Å; P207-N211 PolarHBondContact O-ND2 3.33Å; P207-N211 PolarHBondContact O-OD1 3.4Å; N211-A214 PolarHBondContact O-N 2.97Å; N211-S215 WeakPolarHBondContact O-CB 3.42Å; N211-S215 PolarHBondContact O-N 3.47Å |
| 212 | S | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 179.1 | -63 | 0 | 0 | 0 | 0 | 111.4 | P208 A214 S215 K216 D351 | P208-S212 WeakPolarHBondContact O-CB 3.43Å; P208-S212 PolarHBondContact O-N 2.89Å; P208-S212 PolarHBondContact O-OG 3.35Å; P208-S212 VanDerWaalsContact O-OG 3.08Å; S212-A214 PolarHBondContact O-N 2.87Å; S212-S215 WeakPolarHBondContact O-CB 3.41Å; S212-S215 PolarHBondContact O-N 3.43Å; S212-K216 WeakPolarHBondContact O-CG 3.43Å; S212-K216 PolarHBondContact O-N 3.46Å; S212-D351 PolarHBondContact OG-OD1 2.87Å |
| 213 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 172.5 | -86.7 | -56.9 | 0 | 0 | 0 | 112.5 | L209 S215 K216 I217 I264 I310 L348 | L209-F213 HydrophobicContact CD1-CD2 3.95Å; L209-F213 HydrophobicContact CD1-CE2 3.56Å; L209-F213 HydrophobicContact CG-CD2 4.01Å; L209-F213 HydrophobicContact CG-CE2 4.01Å; L209-F213 WeakPolarHBondContact O-CD2 3.34Å; L209-F213 PolarHBondContact O-N 3.07Å; F213-S215 PolarHBondContact O-N 3.33Å; F213-K216 PolarHBondContact O-N 3.24Å; F213-I217 WeakPolarHBondContact O-CD1 3.43Å; F213-I217 VanDerWaalsContact O-CG1 3.26Å; F213-I217 WeakPolarHBondContact O-CG1 3.33Å; F213-I217 PolarHBondContact O-N 3.28Å; F213-I264 HydrophobicContact CB-CD1 3.63Å; F213-I264 HydrophobicContact CB-CG1 3.96Å; F213-I264 HydrophobicContact CD2-CD1 3.8Å; F213-I264 HydrophobicContact CG-CD1 3.85Å; F213-I310 HydrophobicContact CD1-CG2 4.04Å; F213-I310 HydrophobicContact CE1-CG2 4.29Å; F213-L348 HydrophobicContact CD1-CD2 3.99Å; F213-L348 HydrophobicContact CD2-CD1 4.34Å; F213-L348 HydrophobicContact CE1-CD2 4.18Å; F213-L348 HydrophobicContact CE1-CG 4.3Å; F213-L348 HydrophobicContact CE2-CD1 4.16Å; F213-L348 HydrophobicContact CG-CD2 4.25Å; F213-L348 HydrophobicContact CZ-CD1 4.26Å; F213-L348 HydrophobicContact CZ-CG 4.37Å |
| 214 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I210 N211 S212 R218 I264 Q267 L268 | I210-A214 VanDerWaalsContact O-CB 3.3Å; I210-A214 WeakPolarHBondContact O-CB 3.24Å; I210-A214 PolarHBondContact O-N 3.23Å; N211-A214 PolarHBondContact O-N 2.97Å; S212-A214 PolarHBondContact O-N 2.87Å; A214-R218 VanDerWaalsContact O-CG 3.31Å; A214-R218 WeakPolarHBondContact O-CG 3.41Å; A214-R218 PolarHBondContact O-N 3.12Å; A214-I264 HydrophobicContact CB-CG2 4.49Å; A214-Q267 HydrophobicContact CB-CB 3.82Å; A214-L268 HydrophobicContact CB-CD2 4.09Å; A214-L268 HydrophobicContact CB-CG 4.44Å |
| 215 | S | 98.6 | Very high | 98.3 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 32% | 0.315 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -54.7 | 172.5 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | N211 S212 F213 I217 R218 D219 | N211-S215 WeakPolarHBondContact O-CB 3.42Å; N211-S215 PolarHBondContact O-N 3.47Å; S212-S215 WeakPolarHBondContact O-CB 3.41Å; S212-S215 PolarHBondContact O-N 3.43Å; F213-S215 PolarHBondContact O-N 3.33Å; S215-I217 PolarHBondContact O-N 3.5Å; S215-R218 PolarHBondContact O-N 2.84Å; S215-D219 PolarHBondContact O-N 3.42Å |
| 216 | K | 98.7 | Very high | 98.2 | Very high | 31 Ų | 31 | 45 Ų | 45 | 14% | 0.135 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -34.1 | -178.7 | -59.4 | -47.9 | 175.5 | -163.2 | 0 | 112.9 | S212 F213 E220 Q346 L348 D351 | S212-K216 WeakPolarHBondContact O-CG 3.43Å; S212-K216 PolarHBondContact O-N 3.46Å; F213-K216 PolarHBondContact O-N 3.24Å; K216-E220 WeakPolarHBondContact O-CB 3.27Å; K216-E220 PolarHBondContact O-N 3.12Å; K216-E220 VanDerWaalsContact O-N 3.09Å; K216-Q346 HydrophobicContact CD-CB 4.35Å; K216-L348 HydrophobicContact CG-CD2 4.14Å; K216-D351 VanDerWaalsContact CE-OD2 3.29Å; K216-D351 WeakPolarHBondContact CE-OD2 3.34Å; K216-D351 IonicContact NZ-OD2 3.43Å; K216-D351 PolarHBondContact NZ-OD2 3.27Å |
| 217 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 174.6 | -67 | 163.9 | 0 | 0 | 0 | 111 | F213 S215 E220 L221 L235 F237 I264 L268 L308 I310 | F213-I217 WeakPolarHBondContact O-CD1 3.43Å; F213-I217 VanDerWaalsContact O-CG1 3.26Å; F213-I217 WeakPolarHBondContact O-CG1 3.33Å; F213-I217 PolarHBondContact O-N 3.28Å; S215-I217 PolarHBondContact O-N 3.5Å; I217-E220 PolarHBondContact O-N 3.26Å; I217-L221 HydrophobicContact CG2-CD1 3.62Å; I217-L221 HydrophobicContact CG2-CG 4.33Å; I217-L221 WeakPolarHBondContact O-CB 3.11Å; I217-L221 WeakPolarHBondContact O-CD1 3.4Å; I217-L221 VanDerWaalsContact O-CG 3.25Å; I217-L221 WeakPolarHBondContact O-CG 3.26Å; I217-L221 PolarHBondContact O-N 2.76Å; I217-L235 HydrophobicContact CG2-CD1 4.18Å; I217-L235 HydrophobicContact CG2-CD2 4.32Å; I217-F237 HydrophobicContact CD1-CE1 3.96Å; I217-F237 HydrophobicContact CD1-CZ 4.15Å; I217-I264 HydrophobicContact CD1-CG2 3.56Å; I217-L268 HydrophobicContact CB-CD1 4.2Å; I217-L268 HydrophobicContact CD1-CD1 3.93Å; I217-L268 HydrophobicContact CG2-CD1 3.62Å; I217-L268 HydrophobicContact CG2-CD2 4.39Å; I217-L308 HydrophobicContact CG2-CD2 4.13Å; I217-I310 HydrophobicContact CD1-CG1 3.84Å; I217-I310 HydrophobicContact CD1-CG2 4.13Å; I217-I310 HydrophobicContact CG1-CG1 3.75Å; I217-I310 HydrophobicContact CG1-CG2 4.37Å |
| 218 | R | 98.5 | Very high | 98.1 | Very high | 88 Ų | 88 | 51.3 Ų | 51.3 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.3 | -72.3 | -177.7 | -160.8 | 110.9 | -5 | 111.5 | A214 S215 E220 L221 Q222 Q267 L268 | A214-R218 VanDerWaalsContact O-CG 3.31Å; A214-R218 WeakPolarHBondContact O-CG 3.41Å; A214-R218 PolarHBondContact O-N 3.12Å; S215-R218 PolarHBondContact O-N 2.84Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-E220 PolarHBondContact O-N 3.36Å; R218-L221 PolarHBondContact O-N 2.91Å; R218-Q222 WeakPolarHBondContact O-CB 3.25Å; R218-Q222 VanDerWaalsContact O-CG 3.24Å; R218-Q222 WeakPolarHBondContact O-CG 3.37Å; R218-Q222 PolarHBondContact O-N 2.86Å; R218-Q267 PolarHBondContact NH2-O 2.87Å; R218-L268 HydrophobicContact CG-CD2 3.72Å |
| 219 | D | 98.3 | Very high | 98.1 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 179.1 | -60.4 | -21.9 | 0 | 0 | 0 | 110.5 | S215 Q222 S223 | S215-D219 PolarHBondContact O-N 3.42Å; D219-Q222 PolarHBondContact O-N 3.15Å; D219-S223 PolarHBondContact O-N 3.15Å |
| 220 | E | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 179.3 | -168 | 61.5 | -157.7 | 0 | 0 | 112 | K216 I217 R218 Q222 S223 L308 R343 | K216-E220 WeakPolarHBondContact O-CB 3.27Å; K216-E220 PolarHBondContact O-N 3.12Å; K216-E220 VanDerWaalsContact O-N 3.09Å; I217-E220 PolarHBondContact O-N 3.26Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-E220 PolarHBondContact O-N 3.36Å; E220-Q222 PolarHBondContact O-N 3.01Å; E220-S223 PolarHBondContact O-N 3.05Å; E220-S223 PolarHBondContact O-OG 3.4Å; E220-L308 HydrophobicContact CB-CD1 4.2Å; E220-L308 HydrophobicContact CB-CD2 4.11Å; E220-L308 HydrophobicContact CG-CD1 3.48Å; E220-L308 VanDerWaalsContact CG-CD1 3.48Å; E220-L308 HydrophobicContact CG-CD2 4.16Å; E220-L308 HydrophobicContact CG-CG 4.49Å; E220-R343 HydrophobicContact CG-CB 4.5Å; E220-R343 IonicContact OE1-CZ 3.07Å; E220-R343 IonicContact OE1-NE 2.69Å; E220-R343 PolarHBondContact OE1-NE 3.47Å; E220-R343 IonicContact OE1-NH2 2.73Å; E220-R343 PolarHBondContact OE1-NH2 2.83Å |
| 221 | L | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.6 | -73.1 | 165.5 | 0 | 0 | 0 | 112.2 | I217 R218 S223 I224 R230 T233 L235 W272 L308 | I217-L221 HydrophobicContact CG2-CD1 3.62Å; I217-L221 HydrophobicContact CG2-CG 4.33Å; I217-L221 WeakPolarHBondContact O-CB 3.11Å; I217-L221 WeakPolarHBondContact O-CD1 3.4Å; I217-L221 VanDerWaalsContact O-CG 3.25Å; I217-L221 WeakPolarHBondContact O-CG 3.26Å; I217-L221 PolarHBondContact O-N 2.76Å; R218-L221 PolarHBondContact O-N 2.91Å; L221-S223 PolarHBondContact O-N 3.13Å; L221-I224 HydrophobicContact CD2-CD1 4.3Å; L221-I224 WeakPolarHBondContact O-CB 3.33Å; L221-I224 PolarHBondContact O-N 3.25Å; L221-I224 VanDerWaalsContact O-N 3.12Å; L221-R230 WeakPolarHBondContact O-CD 3.3Å; L221-R230 WeakPolarHBondContact O-CG 3.48Å; L221-T233 HydrophobicContact CD2-CG2 3.93Å; L221-L235 HydrophobicContact CD1-CD2 4.31Å; L221-L235 HydrophobicContact CD2-CD2 4.24Å; L221-W272 HydrophobicContact CD1-CD2 3.87Å; L221-W272 HydrophobicContact CD1-CE3 3.93Å; L221-W272 HydrophobicContact CD1-CH2 3.83Å; L221-W272 HydrophobicContact CD1-CZ2 3.74Å; L221-W272 HydrophobicContact CD1-CZ3 3.91Å; L221-L308 HydrophobicContact CD2-CD2 4.12Å; L221-L308 HydrophobicContact CG-CD2 3.91Å |
| 222 | Q | 97.5 | Very high | 97.8 | Very high | 143 Ų | 143 | 60 Ų | 60 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.8 | -26.2 | 177.9 | -77 | 175.5 | -7.3 | 0 | 0 | 112.6 | R218 D219 E220 I224 | R218-Q222 WeakPolarHBondContact O-CB 3.25Å; R218-Q222 VanDerWaalsContact O-CG 3.24Å; R218-Q222 WeakPolarHBondContact O-CG 3.37Å; R218-Q222 PolarHBondContact O-N 2.86Å; D219-Q222 PolarHBondContact O-N 3.15Å; E220-Q222 PolarHBondContact O-N 3.01Å; Q222-I224 PolarHBondContact O-N 3.15Å |
| 223 | S | 97.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 3.2 | 174.5 | 77.5 | 0 | 0 | 0 | 0 | 114.3 | D219 E220 L221 R343 | D219-S223 PolarHBondContact O-N 3.15Å; E220-S223 PolarHBondContact O-N 3.05Å; E220-S223 PolarHBondContact O-OG 3.4Å; L221-S223 PolarHBondContact O-N 3.13Å; S223-R343 PolarHBondContact O-NH1 3.35Å; S223-R343 VanDerWaalsContact OG-CZ 3.29Å; S223-R343 PolarHBondContact OG-NH1 2.8Å; S223-R343 PolarHBondContact OG-NH2 3.28Å |
| 224 | I | 97.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | trans | -90.7 | 110.2 | 167.1 | -56.7 | 169.7 | 0 | 0 | 0 | 107.4 | L221 Q222 E229 R230 R343 | L221-I224 HydrophobicContact CD2-CD1 4.3Å; L221-I224 WeakPolarHBondContact O-CB 3.33Å; L221-I224 PolarHBondContact O-N 3.25Å; L221-I224 VanDerWaalsContact O-N 3.12Å; Q222-I224 PolarHBondContact O-N 3.15Å; I224-E229 HydrophobicContact CG2-CB 3.98Å; I224-R230 HydrophobicContact CB-CB 4.02Å; I224-R230 HydrophobicContact CB-CG 4.36Å; I224-R230 HydrophobicContact CG2-CB 3.9Å; I224-R230 PolarHBondContact O-NH1 2.9Å; I224-R343 VanDerWaalsContact CG1-NH1 3.34Å | ||
| 225 | E | 96.2 | Very high | 97.8 | Very high | 186 Ų | 186 | 60.1 Ų | 60.1 | 87% | 0.869 | 31% | 0.311 | S | S | * | . | trans | -68 | -45.7 | -175 | -64.8 | -177 | 174.8 | 0 | 0 | 112.5 | E227 | E225-E227 PolarHBondContact O-N 3.08Š| ||
| 226 | D | 97.3 | Very high | 97.9 | Very high | 77 Ų | 77 | 58 Ų | 58 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | trans | -70.9 | 119.8 | 179 | -173.9 | -67.4 | 0 | 0 | 0 | 111 | T228 E229 R230 | D226-T228 VanDerWaalsContact C-N 3.29Å; D226-T228 PolarHBondContact O-N 3.32Å; D226-T228 VanDerWaalsContact OD1-CA 3.27Å; D226-T228 WeakPolarHBondContact OD1-CA 3.43Å; D226-T228 WeakPolarHBondContact OD1-CB 3.44Å; D226-T228 PolarHBondContact OD1-N 2.94Å; D226-E229 HydrophobicContact CB-CB 4.03Å; D226-E229 HydrophobicContact CB-CG 3.78Å; D226-E229 PolarHBondContact O-N 3.42Å; D226-E229 PolarHBondContact OD1-N 3.06Å; D226-R230 VanDerWaalsContact O-CB 3.31Å; D226-R230 WeakPolarHBondContact O-CB 3.42Å; D226-R230 PolarHBondContact O-N 3.12Å | ||
| 227 | E | 97 | Very high | 97.9 | Very high | 139 Ų | 139 | 56.5 Ų | 56.5 | 65% | 0.65 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67 | -31.4 | -176.1 | -49.5 | -158.5 | 131.7 | 0 | 0 | 113 | E225 R230 A231 | E225-E227 PolarHBondContact O-N 3.08Å; E227-R230 IonicContact OE1-NH2 3.3Å; E227-R230 PolarHBondContact OE1-NH2 2.71Å; E227-A231 VanDerWaalsContact O-CB 3.22Å; E227-A231 WeakPolarHBondContact O-CB 3.24Å; E227-A231 PolarHBondContact O-N 2.8Å |
| 228 | T | 96.7 | Very high | 97.9 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 56% | 0.558 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -72.6 | -43.4 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | D226 A231 N232 | D226-T228 VanDerWaalsContact C-N 3.29Å; D226-T228 PolarHBondContact O-N 3.32Å; D226-T228 VanDerWaalsContact OD1-CA 3.27Å; D226-T228 WeakPolarHBondContact OD1-CA 3.43Å; D226-T228 WeakPolarHBondContact OD1-CB 3.44Å; D226-T228 PolarHBondContact OD1-N 2.94Å; T228-A231 PolarHBondContact O-N 3.42Å; T228-N232 WeakPolarHBondContact CG2-ND2 3.49Å; T228-N232 VanDerWaalsContact O-CB 3.3Å; T228-N232 WeakPolarHBondContact O-CB 3.32Å; T228-N232 PolarHBondContact O-N 3.1Å; T228-N232 PolarHBondContact O-ND2 3.35Å |
| 229 | E | 97.3 | Very high | 97.9 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 173.7 | -62.3 | -166.6 | 173.1 | 0 | 0 | 111.2 | I224 D226 A231 N232 T233 H306 | I224-E229 HydrophobicContact CG2-CB 3.98Å; D226-E229 HydrophobicContact CB-CB 4.03Å; D226-E229 HydrophobicContact CB-CG 3.78Å; D226-E229 PolarHBondContact O-N 3.42Å; D226-E229 PolarHBondContact OD1-N 3.06Å; E229-A231 PolarHBondContact O-N 3.5Å; E229-N232 CarbonylContact O-C 3.57Å; E229-N232 PolarHBondContact O-N 3.02Å; E229-T233 PolarHBondContact O-N 2.77Å; E229-T233 PolarHBondContact O-OG1 2.76Å; E229-H306 WeakPolarHBondContact CG-CE1 3.42Å; E229-H306 IonicContact OE1-CE1 3.54Å; E229-H306 IonicContact OE2-CE1 3.52Å; E229-H306 IonicContact OE2-ND1 3.65Å |
| 230 | R | 98 | Very high | 97.8 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 25% | 0.249 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.1 | -175.6 | 170.2 | 64.3 | -134.9 | 3.3 | 112.1 | L221 I224 D226 E227 N232 T233 W272 | L221-R230 WeakPolarHBondContact O-CD 3.3Å; L221-R230 WeakPolarHBondContact O-CG 3.48Å; I224-R230 HydrophobicContact CB-CB 4.02Å; I224-R230 HydrophobicContact CB-CG 4.36Å; I224-R230 HydrophobicContact CG2-CB 3.9Å; I224-R230 PolarHBondContact O-NH1 2.9Å; D226-R230 VanDerWaalsContact O-CB 3.31Å; D226-R230 WeakPolarHBondContact O-CB 3.42Å; D226-R230 PolarHBondContact O-N 3.12Å; E227-R230 IonicContact OE1-NH2 3.3Å; E227-R230 PolarHBondContact OE1-NH2 2.71Å; R230-N232 VanDerWaalsContact C-N 3.34Å; R230-T233 PolarHBondContact O-N 3.41Å; R230-W272 PolarHBondContact O-NE1 3.33Å |
| 231 | A | 96.9 | Very high | 97.8 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 53% | 0.529 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.8 | -31.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E227 T228 E229 | E227-A231 VanDerWaalsContact O-CB 3.22Å; E227-A231 WeakPolarHBondContact O-CB 3.24Å; E227-A231 PolarHBondContact O-N 2.8Å; T228-A231 PolarHBondContact O-N 3.42Å; E229-A231 PolarHBondContact O-N 3.5Å |
| 232 | N | 96.6 | Very high | 97.7 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 4.2 | -179.9 | -71 | -51.9 | 0 | 0 | 0 | 114.2 | T228 E229 R230 V234 | T228-N232 WeakPolarHBondContact CG2-ND2 3.49Å; T228-N232 VanDerWaalsContact O-CB 3.3Å; T228-N232 WeakPolarHBondContact O-CB 3.32Å; T228-N232 PolarHBondContact O-N 3.1Å; T228-N232 PolarHBondContact O-ND2 3.35Å; E229-N232 CarbonylContact O-C 3.57Å; E229-N232 PolarHBondContact O-N 3.02Å; R230-N232 VanDerWaalsContact C-N 3.34Å; N232-V234 PolarHBondContact O-N 3.45Å |
| 233 | T | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.5 | 178.7 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | L221 E229 R230 L235 H306 L308 | L221-T233 HydrophobicContact CD2-CG2 3.93Å; E229-T233 PolarHBondContact O-N 2.77Å; E229-T233 PolarHBondContact O-OG1 2.76Å; R230-T233 PolarHBondContact O-N 3.41Å; T233-L235 HydrophobicContact CG2-CD2 4.46Å; T233-H306 WeakPolarHBondContact CA-O 3.45Å; T233-L308 HydrophobicContact CG2-CB 3.76Å |
| 234 | V | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127 | 173.7 | -177 | 0 | 0 | 0 | 0 | 110 | N232 I236 P273 L299 Y304 H306 A307 L308 | N232-V234 PolarHBondContact O-N 3.45Å; V234-I236 HydrophobicContact CG1-CG1 4.38Å; V234-P273 HydrophobicContact CG2-CG 4.2Å; V234-L299 HydrophobicContact CB-CD1 4.19Å; V234-L299 HydrophobicContact CG1-CD1 3.88Å; V234-L299 HydrophobicContact CG1-CD2 4.31Å; V234-L299 HydrophobicContact CG2-CD2 4.45Å; V234-Y304 HydrophobicContact CG2-CD1 3.37Å; V234-Y304 HydrophobicContact CG2-CE1 3.86Å; V234-Y304 HydrophobicContact CG2-CG 3.75Å; V234-H306 PolarHBondContact N-O 3.3Å; V234-A307 CarbonylContact O-C 3.57Å; V234-A307 VanDerWaalsContact O-CA 3.28Å; V234-A307 WeakPolarHBondContact O-CA 3.48Å; V234-L308 PolarHBondContact O-N 3.24Å |
| 235 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118 | 176.3 | -53.9 | -174 | 0 | 0 | 0 | 110.5 | I217 L221 T233 F237 M265 L268 W272 P273 Y274 R275 L308 I310 | I217-L235 HydrophobicContact CG2-CD1 4.18Å; I217-L235 HydrophobicContact CG2-CD2 4.32Å; L221-L235 HydrophobicContact CD1-CD2 4.31Å; L221-L235 HydrophobicContact CD2-CD2 4.24Å; T233-L235 HydrophobicContact CG2-CD2 4.46Å; L235-F237 HydrophobicContact CB-CE2 4.05Å; L235-M265 HydrophobicContact CD1-CE 4.15Å; L235-M265 HydrophobicContact CD1-SD 3.75Å; L235-L268 HydrophobicContact CD1-CD1 3.98Å; L235-W272 HydrophobicContact CD1-CB 3.83Å; L235-W272 HydrophobicContact CD1-CG 4.43Å; L235-W272 HydrophobicContact CD2-CB 4.5Å; L235-W272 HydrophobicContact CG-CB 3.8Å; L235-W272 HydrophobicContact CG-CG 4.41Å; L235-P273 PolarHBondContact N-O 2.72Å; L235-Y274 CarbonylContact O-C 3.36Å; L235-Y274 WeakPolarHBondContact O-CA 3.37Å; L235-Y274 WeakPolarHBondContact O-CB 3.31Å; L235-R275 PolarHBondContact O-N 3.01Å; L235-L308 HydrophobicContact CD2-CB 3.93Å; L235-L308 HydrophobicContact CD2-CD2 3.92Å; L235-L308 HydrophobicContact CD2-CG 4.27Å; L235-I310 HydrophobicContact CB-CD1 3.91Å |
| 236 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 100.6 | 179.6 | -57.4 | 179.1 | 0 | 0 | 0 | 108.5 | V234 S238 R275 T277 T292 T295 L296 L299 A307 L308 L309 I310 | V234-I236 HydrophobicContact CG1-CG1 4.38Å; I236-S238 PolarHBondContact O-N 3.12Å; I236-R275 WeakPolarHBondContact CA-O 3.34Å; I236-T277 HydrophobicContact CG2-CG2 3.7Å; I236-T277 VanDerWaalsContact CG2-OG1 3.22Å; I236-T277 WeakPolarHBondContact CG2-OG1 3.06Å; I236-T292 HydrophobicContact CG2-CG2 4.32Å; I236-T295 HydrophobicContact CD1-CG2 4.31Å; I236-L296 HydrophobicContact CD1-CD2 3.69Å; I236-L296 HydrophobicContact CD1-CG 4.41Å; I236-L299 HydrophobicContact CD1-CD1 3.62Å; I236-L299 HydrophobicContact CG1-CD1 4.17Å; I236-A307 HydrophobicContact CD1-CB 3.8Å; I236-A307 HydrophobicContact CG1-CB 4.38Å; I236-L308 PolarHBondContact N-O 3.24Å; I236-L309 HydrophobicContact CB-CD2 3.74Å; I236-L309 HydrophobicContact CD1-CD2 3.94Å; I236-L309 HydrophobicContact CG1-CD2 4.34Å; I236-L309 HydrophobicContact CG2-CD2 3.96Å; I236-L309 CarbonylContact O-C 3.46Å; I236-L309 WeakPolarHBondContact O-CA 3.47Å; I236-I310 PolarHBondContact O-N 3.01Å |
| 237 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 110.6 | 173.3 | -64.9 | -93.4 | 0 | 0 | 0 | 108.6 | I217 L235 V261 I264 M265 Y274 R275 L276 T277 I310 V312 | I217-F237 HydrophobicContact CD1-CE1 3.96Å; I217-F237 HydrophobicContact CD1-CZ 4.15Å; L235-F237 HydrophobicContact CB-CE2 4.05Å; F237-V261 HydrophobicContact CB-CG1 4.4Å; F237-V261 HydrophobicContact CB-CG2 3.66Å; F237-V261 HydrophobicContact CD1-CG1 4.29Å; F237-V261 HydrophobicContact CD1-CG2 3.86Å; F237-V261 HydrophobicContact CD2-CG1 3.63Å; F237-V261 HydrophobicContact CD2-CG2 4.34Å; F237-V261 HydrophobicContact CE1-CG1 4.49Å; F237-V261 HydrophobicContact CE2-CG1 3.87Å; F237-V261 HydrophobicContact CG-CB 4.37Å; F237-V261 HydrophobicContact CG-CG1 3.85Å; F237-V261 HydrophobicContact CG-CG2 3.69Å; F237-V261 HydrophobicContact CZ-CG1 4.3Å; F237-I264 HydrophobicContact CE1-CB 4.24Å; F237-I264 HydrophobicContact CE1-CD1 3.99Å; F237-I264 HydrophobicContact CE1-CG2 3.9Å; F237-I264 HydrophobicContact CZ-CB 4.48Å; F237-I264 HydrophobicContact CZ-CG2 4.03Å; F237-M265 HydrophobicContact CE2-CG 3.94Å; F237-M265 HydrophobicContact CE2-SD 3.6Å; F237-M265 HydrophobicContact CZ-CG 4.01Å; F237-M265 HydrophobicContact CZ-SD 3.64Å; F237-Y274 HydrophobicContact CD2-CD2 4.09Å; F237-Y274 HydrophobicContact CE2-CD2 4Å; F237-Y274 HydrophobicContact CE2-CG 4.21Å; F237-R275 PolarHBondContact N-O 3.24Å; F237-L276 HydrophobicContact CB-CD1 4.32Å; F237-L276 WeakPolarHBondContact O-CA 3.49Å; F237-L276 WeakPolarHBondContact O-CD1 3.33Å; F237-T277 PolarHBondContact O-N 3.24Å; F237-T277 PolarHBondContact O-OG1 3.35Å; F237-I310 HydrophobicContact CD1-CB 3.79Å; F237-I310 HydrophobicContact CD1-CD1 4.3Å; F237-I310 HydrophobicContact CD1-CG1 4.26Å; F237-I310 HydrophobicContact CD1-CG2 3.84Å; F237-I310 HydrophobicContact CD2-CD1 4.39Å; F237-I310 HydrophobicContact CE1-CB 4.15Å; F237-I310 HydrophobicContact CE1-CD1 4.32Å; F237-I310 HydrophobicContact CE1-CG1 4.21Å; F237-I310 HydrophobicContact CE1-CG2 4.01Å; F237-I310 HydrophobicContact CE2-CD1 4.39Å; F237-I310 HydrophobicContact CG-CB 4.36Å; F237-I310 HydrophobicContact CG-CD1 4.35Å; F237-I310 HydrophobicContact CZ-CD1 4.36Å; F237-V312 HydrophobicContact CB-CB 4.29Å; F237-V312 HydrophobicContact CB-CG1 4.08Å; F237-V312 HydrophobicContact CD1-CB 3.97Å; F237-V312 HydrophobicContact CD1-CG2 3.88Å |
| 238 | S | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.7 | -178.5 | -164.8 | 0 | 0 | 0 | 0 | 110 | I236 Q279 T292 I310 V312 | I236-S238 PolarHBondContact O-N 3.12Å; S238-Q279 PolarHBondContact OG-OE1 2.95Å; S238-T292 PolarHBondContact OG-OG1 2.98Å; S238-I310 PolarHBondContact N-O 2.92Å; S238-V312 PolarHBondContact O-N 2.98Å |
| 239 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 152.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S241 V257 L276 T277 W278 Q279 V312 A313 | A239-S241 PolarHBondContact O-N 3.23Å; A239-V257 HydrophobicContact CB-CG1 3.88Å; A239-V257 HydrophobicContact CB-CG2 4.38Å; A239-L276 HydrophobicContact CB-CD1 4.36Å; A239-T277 PolarHBondContact N-O 3.44Å; A239-T277 VanDerWaalsContact N-O 3.13Å; A239-W278 HydrophobicContact CB-CE3 3.82Å; A239-W278 HydrophobicContact CB-CZ3 3.71Å; A239-W278 CarbonylContact O-C 3.56Å; A239-W278 VanDerWaalsContact O-CA 3.27Å; A239-W278 WeakPolarHBondContact O-CA 3.29Å; A239-Q279 WeakPolarHBondContact O-CG 3.45Å; A239-Q279 PolarHBondContact O-N 3.34Å; A239-V312 HydrophobicContact CB-CG1 4.09Å; A239-A313 HydrophobicContact CB-CB 3.82Å |
| 240 | H | 97.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 33.8 Ų | 33.8 | 27% | 0.269 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 123.1 | 175.3 | -165.4 | -62.9 | 0 | 0 | 0 | 109.5 | Y253 S280 F314 | H240-Y253 VanDerWaalsContact O-CE1 3.24Å; H240-Y253 WeakPolarHBondContact O-CE1 3.45Å; H240-Y253 PolarHBondContact O-OH 3.44Å; H240-S280 VanDerWaalsContact NE2-CB 3.3Å; H240-S280 WeakPolarHBondContact NE2-CB 3.32Å; H240-F314 HydrophobicContact CB-CE1 4.13Å; H240-F314 HydrophobicContact CB-CZ 3.82Å |
| 241 | S | 97.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | trans | -64.9 | 163.7 | 179.7 | -168.8 | 0 | 0 | 0 | 0 | 111 | A239 Q279 W287 L288 | A239-S241 PolarHBondContact O-N 3.23Å; S241-Q279 WeakPolarHBondContact CB-O 3.3Å; S241-Q279 PolarHBondContact N-O 2.76Å; S241-W287 WeakPolarHBondContact O-CZ3 3.47Å; S241-L288 PolarHBondContact OG-N 3.23Å; S241-L288 PolarHBondContact OG-O 3.43Å | ||
| 242 | I | 95.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | trans | -132.9 | 154.4 | 169.1 | 53.5 | 168.2 | 0 | 0 | 0 | 109.8 | L244 V246 V247 Y253 P254 W287 L288 | I242-L244 PolarHBondContact O-N 2.96Å; I242-V246 HydrophobicContact CD1-CB 4.36Å; I242-V246 HydrophobicContact CD1-CG1 3.98Å; I242-V247 HydrophobicContact CD1-CG2 3.64Å; I242-V247 HydrophobicContact CG1-CG2 3.73Å; I242-Y253 HydrophobicContact CD1-CD1 3.85Å; I242-Y253 HydrophobicContact CD1-CG 4.43Å; I242-Y253 HydrophobicContact CG1-CD1 4.1Å; I242-Y253 HydrophobicContact CG2-CD1 4.26Å; I242-Y253 HydrophobicContact CG2-CE1 4.42Å; I242-P254 HydrophobicContact CD1-CG 4.4Å; I242-W287 VanDerWaalsContact C-CE3 3.45Å; I242-L288 PolarHBondContact O-N 2.73Å | ||
| 243 | P | 94.7 | Very high | 97.3 | Very high | 29 Ų | 29 | 25.4 Ų | 25.4 | 19% | 0.188 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -55.9 | 140 | 175.4 | -24.1 | 32.8 | 0 | 0 | 0 | 111.4 | S245 V246 V247 W287 | P243-S245 PolarHBondContact O-N 2.79Å; P243-S245 VanDerWaalsContact O-N 3.11Å; P243-V246 HydrophobicContact CB-CG2 4.18Å; P243-V246 HydrophobicContact CG-CG2 4.22Å; P243-V246 WeakPolarHBondContact O-CA 3.5Å; P243-V246 WeakPolarHBondContact O-CB 3.29Å; P243-V246 PolarHBondContact O-N 2.67Å; P243-V247 PolarHBondContact O-N 3Å; P243-W287 HydrophobicContact CG-CD2 4.27Å; P243-W287 HydrophobicContact CG-CH2 4.19Å; P243-W287 HydrophobicContact CG-CZ2 3.8Å |
| 244 | L | 96.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 26.2 Ų | 26.2 | 30% | 0.298 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.6 | -24.6 | 176.5 | -78.3 | 172.7 | 0 | 0 | 0 | 112.1 | I242 V246 V247 N248 A286 L288 | I242-L244 PolarHBondContact O-N 2.96Å; L244-V246 VanDerWaalsContact C-N 3.26Å; L244-V246 PolarHBondContact O-N 3.16Å; L244-V247 HydrophobicContact CD2-CB 4.5Å; L244-V247 HydrophobicContact CD2-CG2 4.47Å; L244-V247 PolarHBondContact O-N 2.62Å; L244-N248 VanDerWaalsContact O-CB 3.23Å; L244-N248 WeakPolarHBondContact O-CB 3.45Å; L244-N248 PolarHBondContact O-N 3.3Å; L244-N248 PolarHBondContact O-ND2 2.83Å; L244-A286 HydrophobicContact CD1-CB 3.84Å; L244-A286 PolarHBondContact N-O 2.67Å; L244-L288 HydrophobicContact CD2-CB 4.39Å; L244-L288 HydrophobicContact CD2-CD1 3.99Å |
| 245 | S | 94.5 | Very high | 97.2 | Very high | 79 Ų | 79 | 32 Ų | 32 | 55% | 0.552 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -67.8 | -22.9 | 172.2 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | P243 R249 | P243-S245 PolarHBondContact O-N 2.79Å; P243-S245 VanDerWaalsContact O-N 3.11Å; S245-R249 WeakPolarHBondContact O-CB 3.41Å; S245-R249 PolarHBondContact O-N 3.43Å |
| 246 | V | 94.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -79.6 | -46.6 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | T157 I242 P243 L244 N248 R249 D251 | T157-V246 HydrophobicContact CG2-CG1 4.19Å; T157-V246 HydrophobicContact CG2-CG2 4.24Å; I242-V246 HydrophobicContact CD1-CB 4.36Å; I242-V246 HydrophobicContact CD1-CG1 3.98Å; P243-V246 HydrophobicContact CB-CG2 4.18Å; P243-V246 HydrophobicContact CG-CG2 4.22Å; P243-V246 WeakPolarHBondContact O-CA 3.5Å; P243-V246 WeakPolarHBondContact O-CB 3.29Å; P243-V246 PolarHBondContact O-N 2.67Å; L244-V246 VanDerWaalsContact C-N 3.26Å; L244-V246 PolarHBondContact O-N 3.16Å; V246-N248 PolarHBondContact O-N 3.34Å; V246-R249 WeakPolarHBondContact O-CB 3.37Å; V246-R249 PolarHBondContact O-N 3.4Å; V246-R249 VanDerWaalsContact O-N 3.09Å; V246-D251 HydrophobicContact CG1-CB 3.69Å; V246-D251 WeakPolarHBondContact O-CB 3.15Å; V246-D251 PolarHBondContact O-N 2.83Å |
| 247 | V | 96.9 | Very high | 97.2 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 16% | 0.158 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.7 | -52.4 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 111 | I242 P243 L244 R249 G250 P254 L288 | I242-V247 HydrophobicContact CD1-CG2 3.64Å; I242-V247 HydrophobicContact CG1-CG2 3.73Å; P243-V247 PolarHBondContact O-N 3Å; L244-V247 HydrophobicContact CD2-CB 4.5Å; L244-V247 HydrophobicContact CD2-CG2 4.47Å; L244-V247 PolarHBondContact O-N 2.62Å; V247-R249 PolarHBondContact O-N 3.47Å; V247-G250 WeakPolarHBondContact O-CA 3.47Å; V247-G250 PolarHBondContact O-N 3.31Å; V247-P254 HydrophobicContact CG1-CG 4.23Å; V247-P254 HydrophobicContact CG2-CG 4.03Å; V247-L288 HydrophobicContact CG2-CB 4.35Å; V247-L288 HydrophobicContact CG2-CD1 4.46Å; V247-L288 HydrophobicContact CG2-CD2 4.19Å |
| 248 | N | 97.1 | Very high | 97.2 | Very high | 124 Ų | 124 | 34.3 Ų | 34.3 | 66% | 0.663 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15.1 | -179.5 | -67.3 | -18.6 | 0 | 0 | 0 | 113.3 | L244 V246 G250 | L244-N248 VanDerWaalsContact O-CB 3.23Å; L244-N248 WeakPolarHBondContact O-CB 3.45Å; L244-N248 PolarHBondContact O-N 3.3Å; L244-N248 PolarHBondContact O-ND2 2.83Å; V246-N248 PolarHBondContact O-N 3.34Å; N248-G250 PolarHBondContact O-N 3.41Å |
| 249 | R | 95.9 | Very high | 97.2 | Very high | 65 Ų | 65 | 36.2 Ų | 36.2 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -17 | 169.1 | -156 | 179.9 | -54.1 | 164.3 | 6.9 | 112 | S245 V246 V247 C380 M382 | S245-R249 WeakPolarHBondContact O-CB 3.41Å; S245-R249 PolarHBondContact O-N 3.43Å; V246-R249 WeakPolarHBondContact O-CB 3.37Å; V246-R249 PolarHBondContact O-N 3.4Å; V246-R249 VanDerWaalsContact O-N 3.09Å; V247-R249 PolarHBondContact O-N 3.47Å; R249-C380 HydrophobicContact CB-CB 4.48Å; R249-C380 HydrophobicContact CG-CB 4.2Å; R249-C380 CarbonylContact O-C 3.36Å; R249-C380 WeakPolarHBondContact O-CB 3.43Å; R249-M382 HydrophobicContact CG-CB 4.02Å; R249-M382 PolarHBondContact O-N 2.86Å |
| 250 | G | 97.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 36.2 Ų | 36.2 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 36.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V247 N248 C380 | V247-G250 WeakPolarHBondContact O-CA 3.47Å; V247-G250 PolarHBondContact O-N 3.31Å; N248-G250 PolarHBondContact O-N 3.41Å; G250-C380 WeakPolarHBondContact O-CB 3.31Å |
| 251 | D | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -67.8 | 131 | 166.6 | -166 | -66.4 | 0 | 0 | 0 | 110.2 | S155 C156 V246 Y253 Q255 | S155-D251 PolarHBondContact OG-OD2 2.88Å; C156-D251 VanDerWaalsContact CB-OD2 3.25Å; C156-D251 WeakPolarHBondContact CB-OD2 3.36Å; C156-D251 PolarHBondContact N-OD2 3.17Å; C156-D251 PolarHBondContact SG-OD2 3.26Å; V246-D251 HydrophobicContact CG1-CB 3.69Å; V246-D251 WeakPolarHBondContact O-CB 3.15Å; V246-D251 PolarHBondContact O-N 2.83Å; D251-Y253 VanDerWaalsContact C-N 3.28Å; D251-Y253 PolarHBondContact O-N 3.16Å; D251-Y253 WeakPolarHBondContact OD1-CB 3.35Å; D251-Y253 PolarHBondContact OD1-N 2.95Å; D251-Q255 PolarHBondContact O-OE1 2.97Å | ||
| 252 | P | 97.8 | Very high | 97.4 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | trans | -82.6 | -1.3 | -174.1 | 36 | -38.3 | 0 | 0 | 0 | 114 | Y154 Q255 E256 | Y154-P252 HydrophobicContact CD1-CG 3.73Å; Y154-P252 HydrophobicContact CE1-CG 4.47Å; P252-Q255 VanDerWaalsContact CA-OE1 3.32Å; P252-Q255 PolarHBondContact O-N 2.86Å; P252-Q255 VanDerWaalsContact O-N 3.15Å; P252-Q255 PolarHBondContact O-OE1 2.97Å; P252-E256 WeakPolarHBondContact CG-OE1 3.46Å; P252-E256 PolarHBondContact O-N 3.47Å | ||
| 253 | Y | 98.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52 | -48.6 | -172.7 | 175.8 | -109.9 | 0 | 0 | 0 | 113.9 | Q153 Y154 H240 I242 D251 Q255 E256 V257 W278 A313 | Q153-Y253 HydrophobicContact CB-CD2 3.78Å; Q153-Y253 HydrophobicContact CB-CE2 3.88Å; Y154-Y253 WeakPolarHBondContact O-CA 3.38Å; Y154-Y253 WeakPolarHBondContact O-CB 3.3Å; Y154-Y253 PolarHBondContact O-N 3.38Å; H240-Y253 VanDerWaalsContact O-CE1 3.24Å; H240-Y253 WeakPolarHBondContact O-CE1 3.45Å; H240-Y253 PolarHBondContact O-OH 3.44Å; I242-Y253 HydrophobicContact CD1-CD1 3.85Å; I242-Y253 HydrophobicContact CD1-CG 4.43Å; I242-Y253 HydrophobicContact CG1-CD1 4.1Å; I242-Y253 HydrophobicContact CG2-CD1 4.26Å; I242-Y253 HydrophobicContact CG2-CE1 4.42Å; D251-Y253 VanDerWaalsContact C-N 3.28Å; D251-Y253 PolarHBondContact O-N 3.16Å; D251-Y253 WeakPolarHBondContact OD1-CB 3.35Å; D251-Y253 PolarHBondContact OD1-N 2.95Å; Y253-Q255 VanDerWaalsContact C-N 3.3Å; Y253-Q255 PolarHBondContact O-N 2.89Å; Y253-E256 PolarHBondContact O-N 2.82Å; Y253-V257 HydrophobicContact CD1-CG2 4.41Å; Y253-V257 HydrophobicContact CD2-CG2 3.92Å; Y253-V257 HydrophobicContact CE1-CG2 4.06Å; Y253-V257 HydrophobicContact CE2-CG2 3.51Å; Y253-V257 HydrophobicContact CG-CG2 4.35Å; Y253-V257 WeakPolarHBondContact O-CG2 3Å; Y253-V257 PolarHBondContact O-N 2.9Å; Y253-W278 HydrophobicContact CD1-CZ3 4.17Å; Y253-W278 HydrophobicContact CE1-CE3 4.28Å; Y253-W278 AromaticContact CE1-CZ3 3.59Å; Y253-W278 HydrophobicContact CE1-CZ3 3.59Å; Y253-A313 WeakPolarHBondContact OH-CB 3.33Å |
| 254 | P | 98.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 13% | 0.13 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -36.7 | -178.6 | -24.5 | 37.2 | 0 | 0 | 0 | 113.8 | I242 V247 G258 W278 L288 | I242-P254 HydrophobicContact CD1-CG 4.4Å; V247-P254 HydrophobicContact CG1-CG 4.23Å; V247-P254 HydrophobicContact CG2-CG 4.03Å; P254-G258 PolarHBondContact O-N 3.15Å; P254-W278 HydrophobicContact CB-CH2 4.04Å; P254-W278 HydrophobicContact CB-CZ2 4.26Å; P254-L288 HydrophobicContact CB-CD2 3.84Å; P254-L288 HydrophobicContact CG-CD2 3.49Å; P254-L288 VanDerWaalsContact CG-CD2 3.49Å |
| 255 | Q | 98.3 | Very high | 97.8 | Very high | 126 Ų | 126 | 35 Ų | 35 | 59% | 0.589 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.3 | -40.3 | 178.6 | -62.2 | 82.2 | -5.6 | 0 | 0 | 110.8 | D251 P252 Y253 G258 A259 | D251-Q255 PolarHBondContact O-OE1 2.97Å; P252-Q255 VanDerWaalsContact CA-OE1 3.32Å; P252-Q255 PolarHBondContact O-N 2.86Å; P252-Q255 VanDerWaalsContact O-N 3.15Å; P252-Q255 PolarHBondContact O-OE1 2.97Å; Y253-Q255 VanDerWaalsContact C-N 3.3Å; Y253-Q255 PolarHBondContact O-N 2.89Å; Q255-G258 PolarHBondContact O-N 3.4Å; Q255-A259 PolarHBondContact O-N 3.47Å |
| 256 | E | 98.7 | Very high | 98 | Very high | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -40.5 | 177.1 | -73.4 | -177 | -141.3 | 0 | 0 | 112.3 | Q153 Y154 R202 P204 P252 Y253 G258 A259 T260 | Q153-E256 WeakPolarHBondContact CA-OE2 3.35Å; Q153-E256 HydrophobicContact CB-CB 3.77Å; Q153-E256 HydrophobicContact CG-CB 3.99Å; Y154-E256 PolarHBondContact N-OE2 3.44Å; R202-E256 IonicContact CZ-OE1 3.87Å; R202-E256 IonicContact NH1-OE1 3.61Å; R202-E256 PolarHBondContact NH1-OE1 3.01Å; P204-E256 HydrophobicContact CB-CB 4.08Å; P204-E256 HydrophobicContact CG-CB 4.3Å; P204-E256 HydrophobicContact CG-CG 4.23Å; P252-E256 WeakPolarHBondContact CG-OE1 3.46Å; P252-E256 PolarHBondContact O-N 3.47Å; Y253-E256 PolarHBondContact O-N 2.82Å; E256-G258 VanDerWaalsContact C-N 3.34Å; E256-A259 WeakPolarHBondContact O-CB 3.34Å; E256-A259 PolarHBondContact O-N 2.73Å; E256-T260 PolarHBondContact O-N 3.47Å; E256-T260 PolarHBondContact O-OG1 3.49Å |
| 257 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 172.6 | 178 | 0 | 0 | 0 | 0 | 110.2 | Q153 A239 Y253 A259 T260 V261 L276 W278 V312 | Q153-V257 HydrophobicContact CB-CG2 3.97Å; Q153-V257 HydrophobicContact CG-CB 4.36Å; Q153-V257 HydrophobicContact CG-CG2 3.7Å; A239-V257 HydrophobicContact CB-CG1 3.88Å; A239-V257 HydrophobicContact CB-CG2 4.38Å; Y253-V257 HydrophobicContact CD1-CG2 4.41Å; Y253-V257 HydrophobicContact CD2-CG2 3.92Å; Y253-V257 HydrophobicContact CE1-CG2 4.06Å; Y253-V257 HydrophobicContact CE2-CG2 3.51Å; Y253-V257 HydrophobicContact CG-CG2 4.35Å; Y253-V257 WeakPolarHBondContact O-CG2 3Å; Y253-V257 PolarHBondContact O-N 2.9Å; V257-A259 VanDerWaalsContact C-N 3.28Å; V257-A259 PolarHBondContact O-N 3.08Å; V257-T260 WeakPolarHBondContact O-CB 3.5Å; V257-T260 PolarHBondContact O-N 3.09Å; V257-V261 HydrophobicContact CG1-CG2 4.38Å; V257-V261 WeakPolarHBondContact O-CG2 3.45Å; V257-V261 PolarHBondContact O-N 3.04Å; V257-L276 HydrophobicContact CB-CD2 4.4Å; V257-L276 HydrophobicContact CG1-CD1 3.5Å; V257-L276 HydrophobicContact CG1-CD2 3.83Å; V257-L276 HydrophobicContact CG1-CG 4.34Å; V257-W278 HydrophobicContact CB-CH2 4.1Å; V257-W278 HydrophobicContact CB-CZ3 4.45Å; V257-W278 HydrophobicContact CG1-CH2 4.18Å; V257-W278 HydrophobicContact CG1-CZ3 4.39Å; V257-W278 HydrophobicContact CG2-CH2 4.38Å; V257-W278 HydrophobicContact CG2-CZ3 4.3Å; V257-V312 HydrophobicContact CG1-CG1 3.89Å |
| 258 | G | 98.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.1 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | P254 Q255 E256 V261 H262 | P254-G258 PolarHBondContact O-N 3.15Å; Q255-G258 PolarHBondContact O-N 3.4Å; E256-G258 VanDerWaalsContact C-N 3.34Å; G258-V261 PolarHBondContact O-N 3.4Å; G258-H262 WeakPolarHBondContact O-CB 3.46Å; G258-H262 PolarHBondContact O-N 3.04Å |
| 259 | A | 98.9 | Very high | 98.4 | Very high | 41 Ų | 41 | 41 Ų | 41 | 34% | 0.339 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V205 Q255 E256 V257 H262 A263 | V205-A259 HydrophobicContact CG1-CB 3.98Å; Q255-A259 PolarHBondContact O-N 3.47Å; E256-A259 WeakPolarHBondContact O-CB 3.34Å; E256-A259 PolarHBondContact O-N 2.73Å; V257-A259 VanDerWaalsContact C-N 3.28Å; V257-A259 PolarHBondContact O-N 3.08Å; A259-H262 PolarHBondContact O-N 3.37Å; A259-A263 WeakPolarHBondContact O-CB 3.38Å; A259-A263 PolarHBondContact O-N 3.35Å |
| 260 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -50.5 | 173.3 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | Q153 P204 L209 I210 E256 V257 H262 A263 I264 V312 | Q153-T260 PolarHBondContact NE2-OG1 3.31Å; P204-T260 WeakPolarHBondContact O-CB 3.46Å; P204-T260 WeakPolarHBondContact O-CG2 3.44Å; P204-T260 PolarHBondContact O-OG1 3.22Å; L209-T260 HydrophobicContact CD2-CG2 4.28Å; I210-T260 HydrophobicContact CD1-CG2 3.89Å; E256-T260 PolarHBondContact O-N 3.47Å; E256-T260 PolarHBondContact O-OG1 3.49Å; V257-T260 WeakPolarHBondContact O-CB 3.5Å; V257-T260 PolarHBondContact O-N 3.09Å; T260-H262 PolarHBondContact O-N 3.39Å; T260-A263 PolarHBondContact O-N 3.42Å; T260-I264 HydrophobicContact CG2-CD1 3.86Å; T260-I264 WeakPolarHBondContact O-CG1 3.25Å; T260-I264 PolarHBondContact O-N 3.27Å; T260-V312 HydrophobicContact CG2-CG2 3.76Å |
| 261 | V | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 179.7 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | F237 V257 G258 A263 I264 M265 Y274 L276 V312 | F237-V261 HydrophobicContact CB-CG1 4.4Å; F237-V261 HydrophobicContact CB-CG2 3.66Å; F237-V261 HydrophobicContact CD1-CG1 4.29Å; F237-V261 HydrophobicContact CD1-CG2 3.86Å; F237-V261 HydrophobicContact CD2-CG1 3.63Å; F237-V261 HydrophobicContact CD2-CG2 4.34Å; F237-V261 HydrophobicContact CE1-CG1 4.49Å; F237-V261 HydrophobicContact CE2-CG1 3.87Å; F237-V261 HydrophobicContact CG-CB 4.37Å; F237-V261 HydrophobicContact CG-CG1 3.85Å; F237-V261 HydrophobicContact CG-CG2 3.69Å; F237-V261 HydrophobicContact CZ-CG1 4.3Å; V257-V261 HydrophobicContact CG1-CG2 4.38Å; V257-V261 WeakPolarHBondContact O-CG2 3.45Å; V257-V261 PolarHBondContact O-N 3.04Å; G258-V261 PolarHBondContact O-N 3.4Å; V261-A263 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 2.95Å; V261-I264 PolarHBondContact O-N 3Å; V261-M265 HydrophobicContact CG1-CG 4.42Å; V261-M265 WeakPolarHBondContact O-CG 3.36Å; V261-M265 PolarHBondContact O-N 3.45Å; V261-Y274 HydrophobicContact CG1-CD2 3.68Å; V261-Y274 HydrophobicContact CG1-CE2 3.54Å; V261-L276 HydrophobicContact CG2-CD1 4.24Å; V261-V312 HydrophobicContact CG2-CG1 4.27Å; V261-V312 HydrophobicContact CG2-CG2 4.03Å |
| 262 | H | 98.9 | Very high | 98.6 | Very high | 101 Ų | 101 | 47.1 Ų | 47.1 | 47% | 0.468 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 178.5 | -175.1 | 85.3 | 0 | 0 | 0 | 112.1 | G258 A259 T260 M265 K266 F270 | G258-H262 WeakPolarHBondContact O-CB 3.46Å; G258-H262 PolarHBondContact O-N 3.04Å; A259-H262 PolarHBondContact O-N 3.37Å; T260-H262 PolarHBondContact O-N 3.39Å; H262-M265 PolarHBondContact O-N 3.47Å; H262-K266 WeakPolarHBondContact O-CB 3.21Å; H262-K266 PolarHBondContact O-N 3.36Å; H262-F270 AromaticContact CE1-CZ 3.69Å |
| 263 | A | 98.9 | Very high | 98.6 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V205 I210 A259 T260 V261 K266 Q267 | V205-A263 HydrophobicContact CG1-CB 4.17Å; I210-A263 HydrophobicContact CD1-CB 3.75Å; I210-A263 HydrophobicContact CG1-CB 3.95Å; I210-A263 HydrophobicContact CG2-CB 4.06Å; I210-A263 WeakPolarHBondContact CG2-O 3.46Å; A259-A263 WeakPolarHBondContact O-CB 3.38Å; A259-A263 PolarHBondContact O-N 3.35Å; T260-A263 PolarHBondContact O-N 3.42Å; V261-A263 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 2.95Å; A263-K266 PolarHBondContact O-N 3.11Å; A263-Q267 PolarHBondContact O-N 3.18Å |
| 264 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 173.7 | -65.3 | 163.4 | 0 | 0 | 0 | 110.3 | I210 F213 A214 I217 F237 T260 V261 K266 Q267 L268 V312 | I210-I264 HydrophobicContact CD1-CG1 3.99Å; I210-I264 HydrophobicContact CG2-CG1 4.06Å; F213-I264 HydrophobicContact CB-CD1 3.63Å; F213-I264 HydrophobicContact CB-CG1 3.96Å; F213-I264 HydrophobicContact CD2-CD1 3.8Å; F213-I264 HydrophobicContact CG-CD1 3.85Å; A214-I264 HydrophobicContact CB-CG2 4.49Å; I217-I264 HydrophobicContact CD1-CG2 3.56Å; F237-I264 HydrophobicContact CE1-CB 4.24Å; F237-I264 HydrophobicContact CE1-CD1 3.99Å; F237-I264 HydrophobicContact CE1-CG2 3.9Å; F237-I264 HydrophobicContact CZ-CB 4.48Å; F237-I264 HydrophobicContact CZ-CG2 4.03Å; T260-I264 HydrophobicContact CG2-CD1 3.86Å; T260-I264 WeakPolarHBondContact O-CG1 3.25Å; T260-I264 PolarHBondContact O-N 3.27Å; V261-I264 PolarHBondContact O-N 3Å; I264-K266 PolarHBondContact O-N 3.07Å; I264-Q267 WeakPolarHBondContact O-CA 3.35Å; I264-Q267 WeakPolarHBondContact O-CB 3.47Å; I264-Q267 PolarHBondContact O-N 3.24Å; I264-L268 HydrophobicContact CG2-CD1 4.04Å; I264-L268 HydrophobicContact CG2-CG 4.44Å; I264-L268 WeakPolarHBondContact O-CG 3.39Å; I264-L268 PolarHBondContact O-N 3.42Å; I264-V312 HydrophobicContact CD1-CG2 3.79Å |
| 265 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -31.5 | -179.2 | -71.9 | -55.2 | -53.6 | 0 | 0 | 112.9 | L235 F237 V261 H262 L268 N269 F270 W272 Y274 | L235-M265 HydrophobicContact CD1-CE 4.15Å; L235-M265 HydrophobicContact CD1-SD 3.75Å; F237-M265 HydrophobicContact CE2-CG 3.94Å; F237-M265 HydrophobicContact CE2-SD 3.6Å; F237-M265 HydrophobicContact CZ-CG 4.01Å; F237-M265 HydrophobicContact CZ-SD 3.64Å; V261-M265 HydrophobicContact CG1-CG 4.42Å; V261-M265 WeakPolarHBondContact O-CG 3.36Å; V261-M265 PolarHBondContact O-N 3.45Å; H262-M265 PolarHBondContact O-N 3.47Å; M265-L268 CarbonylContact O-C 3.43Å; M265-L268 PolarHBondContact O-N 2.9Å; M265-L268 HydrophobicContact SD-CD1 4.09Å; M265-N269 PolarHBondContact O-N 3.09Å; M265-N269 VanDerWaalsContact O-N 3.15Å; M265-F270 HydrophobicContact CB-CD1 3.66Å; M265-F270 HydrophobicContact CB-CE1 3.45Å; M265-F270 VanDerWaalsContact CB-CE1 3.45Å; M265-F270 HydrophobicContact CB-CZ 4.24Å; M265-F270 HydrophobicContact CE-CD1 4.42Å; M265-F270 PolarHBondContact O-N 3.46Å; M265-W272 VanDerWaalsContact CE-O 3.31Å; M265-W272 WeakPolarHBondContact CE-O 3.48Å; M265-Y274 HydrophobicContact CB-CE1 4.36Å; M265-Y274 HydrophobicContact CE-CD1 3.69Å; M265-Y274 HydrophobicContact CE-CE1 4.34Å; M265-Y274 HydrophobicContact CE-CG 4.14Å; M265-Y274 HydrophobicContact CG-CD1 3.79Å; M265-Y274 HydrophobicContact CG-CD2 3.87Å; M265-Y274 HydrophobicContact CG-CE1 3.92Å; M265-Y274 HydrophobicContact CG-CE2 4Å; M265-Y274 HydrophobicContact CG-CG 3.77Å; M265-Y274 HydrophobicContact SD-CD1 4.03Å; M265-Y274 HydrophobicContact SD-CD2 4.47Å; M265-Y274 HydrophobicContact SD-CG 3.9Å |
| 266 | K | 98.7 | Very high | 98.6 | Very high | 142 Ų | 142 | 53.5 Ų | 53.5 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 170.8 | -172.8 | 176.6 | -179.3 | 178.6 | 0 | 112 | H262 A263 I264 L268 N269 F270 | H262-K266 WeakPolarHBondContact O-CB 3.21Å; H262-K266 PolarHBondContact O-N 3.36Å; A263-K266 PolarHBondContact O-N 3.11Å; I264-K266 PolarHBondContact O-N 3.07Å; K266-L268 VanDerWaalsContact C-N 3.25Å; K266-L268 PolarHBondContact O-N 2.85Å; K266-N269 PolarHBondContact O-N 3.42Å; K266-N269 VanDerWaalsContact O-N 3.13Å; K266-F270 HydrophobicContact CB-CE2 4.14Å; K266-F270 HydrophobicContact CB-CZ 4.21Å; K266-F270 HydrophobicContact CG-CE2 4.48Å |
| 267 | Q | 98.3 | Very high | 98.6 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -31.1 | 173 | -72.4 | -65.2 | -20.5 | 0 | 0 | 112.5 | I210 A214 R218 A263 I264 N269 | I210-Q267 HydrophobicContact CG2-CG 3.7Å; A214-Q267 HydrophobicContact CB-CB 3.82Å; R218-Q267 PolarHBondContact NH2-O 2.87Å; A263-Q267 PolarHBondContact O-N 3.18Å; I264-Q267 WeakPolarHBondContact O-CA 3.35Å; I264-Q267 WeakPolarHBondContact O-CB 3.47Å; I264-Q267 PolarHBondContact O-N 3.24Å; Q267-N269 PolarHBondContact O-N 3.48Å |
| 268 | L | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 10.1 | 175.3 | -59.6 | 177.1 | 0 | 0 | 0 | 113.2 | A214 I217 R218 L235 I264 M265 K266 F270 S271 | A214-L268 HydrophobicContact CB-CD2 4.09Å; A214-L268 HydrophobicContact CB-CG 4.44Å; I217-L268 HydrophobicContact CB-CD1 4.2Å; I217-L268 HydrophobicContact CD1-CD1 3.93Å; I217-L268 HydrophobicContact CG2-CD1 3.62Å; I217-L268 HydrophobicContact CG2-CD2 4.39Å; R218-L268 HydrophobicContact CG-CD2 3.72Å; L235-L268 HydrophobicContact CD1-CD1 3.98Å; I264-L268 HydrophobicContact CG2-CD1 4.04Å; I264-L268 HydrophobicContact CG2-CG 4.44Å; I264-L268 WeakPolarHBondContact O-CG 3.39Å; I264-L268 PolarHBondContact O-N 3.42Å; M265-L268 CarbonylContact O-C 3.43Å; M265-L268 PolarHBondContact O-N 2.9Å; M265-L268 HydrophobicContact SD-CD1 4.09Å; K266-L268 VanDerWaalsContact C-N 3.25Å; K266-L268 PolarHBondContact O-N 2.85Å; L268-F270 PolarHBondContact O-N 3.28Å; L268-F270 VanDerWaalsContact O-N 3.07Å; L268-S271 PolarHBondContact O-N 3.11Å; L268-S271 VanDerWaalsContact O-N 3.13Å; L268-S271 PolarHBondContact O-OG 3.43Å |
| 269 | N | 98.4 | Very high | 98.6 | Very high | 130 Ų | 130 | 52.2 Ų | 52.2 | 70% | 0.695 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 23.2 | -178.2 | -59 | -46.4 | 0 | 0 | 0 | 114.8 | M265 K266 Q267 S271 | M265-N269 PolarHBondContact O-N 3.09Å; M265-N269 VanDerWaalsContact O-N 3.15Å; K266-N269 PolarHBondContact O-N 3.42Å; K266-N269 VanDerWaalsContact O-N 3.13Å; Q267-N269 PolarHBondContact O-N 3.48Å; N269-S271 PolarHBondContact O-N 3.24Å; N269-S271 VanDerWaalsContact O-N 3.16Å |
| 270 | F | 98.4 | Very high | 98.3 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 29.5 | -173.4 | -58.9 | -81.4 | 0 | 0 | 0 | 114.1 | H262 M265 K266 L268 W272 Y274 | H262-F270 AromaticContact CE1-CZ 3.69Å; M265-F270 HydrophobicContact CB-CD1 3.66Å; M265-F270 HydrophobicContact CB-CE1 3.45Å; M265-F270 VanDerWaalsContact CB-CE1 3.45Å; M265-F270 HydrophobicContact CB-CZ 4.24Å; M265-F270 HydrophobicContact CE-CD1 4.42Å; M265-F270 PolarHBondContact O-N 3.46Å; K266-F270 HydrophobicContact CB-CE2 4.14Å; K266-F270 HydrophobicContact CB-CZ 4.21Å; K266-F270 HydrophobicContact CG-CE2 4.48Å; L268-F270 PolarHBondContact O-N 3.28Å; L268-F270 VanDerWaalsContact O-N 3.07Å; F270-W272 PolarHBondContact O-N 2.89Å; F270-Y274 HydrophobicContact CD1-CE1 4.15Å; F270-Y274 HydrophobicContact CE1-CE1 4.36Å |
| 271 | S | 98 | Very high | 98 | Very high | 79 Ų | 79 | 57 Ų | 57 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | trans | -69.2 | -15.4 | -175.5 | -61.4 | 0 | 0 | 0 | 0 | 114.8 | L268 N269 | L268-S271 PolarHBondContact O-N 3.11Å; L268-S271 VanDerWaalsContact O-N 3.13Å; L268-S271 PolarHBondContact O-OG 3.43Å; N269-S271 PolarHBondContact O-N 3.24Å; N269-S271 VanDerWaalsContact O-N 3.16Å | ||
| 272 | W | 98.3 | Very high | 97.2 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 20% | 0.201 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -125.3 | 147.5 | 177.9 | -69.4 | -92.3 | 0 | 0 | 0 | 111.9 | L221 R230 L235 M265 F270 | L221-W272 HydrophobicContact CD1-CD2 3.87Å; L221-W272 HydrophobicContact CD1-CE3 3.93Å; L221-W272 HydrophobicContact CD1-CH2 3.83Å; L221-W272 HydrophobicContact CD1-CZ2 3.74Å; L221-W272 HydrophobicContact CD1-CZ3 3.91Å; R230-W272 PolarHBondContact O-NE1 3.33Å; L235-W272 HydrophobicContact CD1-CB 3.83Å; L235-W272 HydrophobicContact CD1-CG 4.43Å; L235-W272 HydrophobicContact CD2-CB 4.5Å; L235-W272 HydrophobicContact CG-CB 3.8Å; L235-W272 HydrophobicContact CG-CG 4.41Å; M265-W272 VanDerWaalsContact CE-O 3.31Å; M265-W272 WeakPolarHBondContact CE-O 3.48Å; F270-W272 PolarHBondContact O-N 2.89Å |
| 273 | P | 97.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 58 Ų | 58 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | trans | -64.9 | 143.2 | 168.3 | 29.6 | -34.1 | 0 | 0 | 0 | 110.2 | V234 L235 | V234-P273 HydrophobicContact CG2-CG 4.2Å; L235-P273 PolarHBondContact N-O 2.72Å | ||
| 274 | Y | 98.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 26% | 0.263 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 157.6 | -177.8 | 75 | -78.3 | 0 | 0 | 0 | 113.9 | L235 F237 V261 M265 F270 | L235-Y274 CarbonylContact O-C 3.36Å; L235-Y274 WeakPolarHBondContact O-CA 3.37Å; L235-Y274 WeakPolarHBondContact O-CB 3.31Å; F237-Y274 HydrophobicContact CD2-CD2 4.09Å; F237-Y274 HydrophobicContact CE2-CD2 4Å; F237-Y274 HydrophobicContact CE2-CG 4.21Å; V261-Y274 HydrophobicContact CG1-CD2 3.68Å; V261-Y274 HydrophobicContact CG1-CE2 3.54Å; M265-Y274 HydrophobicContact CB-CE1 4.36Å; M265-Y274 HydrophobicContact CE-CD1 3.69Å; M265-Y274 HydrophobicContact CE-CE1 4.34Å; M265-Y274 HydrophobicContact CE-CG 4.14Å; M265-Y274 HydrophobicContact CG-CD1 3.79Å; M265-Y274 HydrophobicContact CG-CD2 3.87Å; M265-Y274 HydrophobicContact CG-CE1 3.92Å; M265-Y274 HydrophobicContact CG-CE2 4Å; M265-Y274 HydrophobicContact CG-CG 3.77Å; M265-Y274 HydrophobicContact SD-CD1 4.03Å; M265-Y274 HydrophobicContact SD-CD2 4.47Å; M265-Y274 HydrophobicContact SD-CG 3.9Å; F270-Y274 HydrophobicContact CD1-CE1 4.15Å; F270-Y274 HydrophobicContact CE1-CE1 4.36Å |
| 275 | R | 98.6 | Very high | 95.4 | Very high | 154 Ų | 154 | 66.1 Ų | 66.1 | 58% | 0.581 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142.6 | 170.6 | -68.3 | -64.4 | 179.4 | -98.6 | 4.1 | 110.6 | L235 I236 F237 T277 | L235-R275 PolarHBondContact O-N 3.01Å; I236-R275 WeakPolarHBondContact CA-O 3.34Å; F237-R275 PolarHBondContact N-O 3.24Å; R275-T277 HydrophobicContact CB-CG2 4.36Å |
| 276 | L | 98.9 | Very high | 95.3 | Very high | 42 Ų | 42 | 69.2 Ų | 69.2 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.4 | 165.3 | 170.4 | 57.5 | 0 | 0 | 0 | 108.3 | F237 A239 V257 V261 W278 | F237-L276 HydrophobicContact CB-CD1 4.32Å; F237-L276 WeakPolarHBondContact O-CA 3.49Å; F237-L276 WeakPolarHBondContact O-CD1 3.33Å; A239-L276 HydrophobicContact CB-CD1 4.36Å; V257-L276 HydrophobicContact CB-CD2 4.4Å; V257-L276 HydrophobicContact CG1-CD1 3.5Å; V257-L276 HydrophobicContact CG1-CD2 3.83Å; V257-L276 HydrophobicContact CG1-CG 4.34Å; V261-L276 HydrophobicContact CG2-CD1 4.24Å; L276-W278 HydrophobicContact CD1-CH2 4.32Å; L276-W278 HydrophobicContact CD1-CZ2 4.29Å; L276-W278 HydrophobicContact CD2-CH2 3.97Å; L276-W278 HydrophobicContact CD2-CZ2 3.72Å; L276-W278 HydrophobicContact CG-CH2 4.31Å; L276-W278 HydrophobicContact CG-CZ2 3.87Å |
| 277 | T | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 171.5 | -179 | 65.8 | 0 | 0 | 0 | 0 | 110.4 | I236 F237 A239 R275 P290 T292 T295 | I236-T277 HydrophobicContact CG2-CG2 3.7Å; I236-T277 VanDerWaalsContact CG2-OG1 3.22Å; I236-T277 WeakPolarHBondContact CG2-OG1 3.06Å; F237-T277 PolarHBondContact O-N 3.24Å; F237-T277 PolarHBondContact O-OG1 3.35Å; A239-T277 PolarHBondContact N-O 3.44Å; A239-T277 VanDerWaalsContact N-O 3.13Å; R275-T277 HydrophobicContact CB-CG2 4.36Å; T277-P290 HydrophobicContact CG2-CG 4.47Å; T277-T292 PolarHBondContact OG1-OG1 2.85Å; T277-T295 HydrophobicContact CG2-CG2 3.69Å; T277-T295 WeakPolarHBondContact CG2-OG1 3.24Å |
| 278 | W | 98.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 139.6 | -173 | -47 | 89.3 | 0 | 0 | 0 | 111.8 | A239 Y253 P254 V257 L276 L288 G289 P290 S291 T292 | A239-W278 HydrophobicContact CB-CE3 3.82Å; A239-W278 HydrophobicContact CB-CZ3 3.71Å; A239-W278 CarbonylContact O-C 3.56Å; A239-W278 VanDerWaalsContact O-CA 3.27Å; A239-W278 WeakPolarHBondContact O-CA 3.29Å; Y253-W278 HydrophobicContact CD1-CZ3 4.17Å; Y253-W278 HydrophobicContact CE1-CE3 4.28Å; Y253-W278 AromaticContact CE1-CZ3 3.59Å; Y253-W278 HydrophobicContact CE1-CZ3 3.59Å; P254-W278 HydrophobicContact CB-CH2 4.04Å; P254-W278 HydrophobicContact CB-CZ2 4.26Å; V257-W278 HydrophobicContact CB-CH2 4.1Å; V257-W278 HydrophobicContact CB-CZ3 4.45Å; V257-W278 HydrophobicContact CG1-CH2 4.18Å; V257-W278 HydrophobicContact CG1-CZ3 4.39Å; V257-W278 HydrophobicContact CG2-CH2 4.38Å; V257-W278 HydrophobicContact CG2-CZ3 4.3Å; L276-W278 HydrophobicContact CD1-CH2 4.32Å; L276-W278 HydrophobicContact CD1-CZ2 4.29Å; L276-W278 HydrophobicContact CD2-CH2 3.97Å; L276-W278 HydrophobicContact CD2-CZ2 3.72Å; L276-W278 HydrophobicContact CG-CH2 4.31Å; L276-W278 HydrophobicContact CG-CZ2 3.87Å; W278-L288 WeakPolarHBondContact CB-O 3.2Å; W278-L288 HydrophobicContact CD2-CB 4.49Å; W278-L288 HydrophobicContact CD2-CD2 3.67Å; W278-L288 HydrophobicContact CD2-CG 3.91Å; W278-L288 HydrophobicContact CE3-CD2 3.93Å; W278-L288 HydrophobicContact CG-CB 4.48Å; W278-L288 HydrophobicContact CG-CD2 4.41Å; W278-L288 HydrophobicContact CG-CG 4.14Å; W278-L288 HydrophobicContact CH2-CD2 3.69Å; W278-L288 HydrophobicContact CZ2-CD2 3.38Å; W278-L288 HydrophobicContact CZ2-CG 4.09Å; W278-L288 HydrophobicContact CZ3-CD2 3.94Å; W278-G289 VanDerWaalsContact CD1-O 3.32Å; W278-G289 PolarHBondContact NE1-O 2.86Å; W278-P290 PolarHBondContact N-O 3.4Å; W278-S291 CarbonylContact O-C 3.6Å; W278-S291 WeakPolarHBondContact O-CA 3.16Å; W278-T292 PolarHBondContact O-N 2.78Å |
| 279 | Q | 97.9 | Very high | 95 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 178.1 | -179.1 | 60 | 178.7 | 52.2 | 0 | 0 | 112.7 | S238 A239 S241 K281 E320 Y329 | S238-Q279 PolarHBondContact OG-OE1 2.95Å; A239-Q279 WeakPolarHBondContact O-CG 3.45Å; A239-Q279 PolarHBondContact O-N 3.34Å; S241-Q279 WeakPolarHBondContact CB-O 3.3Å; S241-Q279 PolarHBondContact N-O 2.76Å; Q279-K281 VanDerWaalsContact C-N 3.33Å; Q279-K281 PolarHBondContact O-N 2.89Å; Q279-E320 PolarHBondContact NE2-O 3.38Å; Q279-Y329 HydrophobicContact CB-CE2 3.88Å; Q279-Y329 WeakPolarHBondContact CB-OH 3.27Å |
| 280 | S | 93.6 | Very high | 95 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | trans | 59.9 | 35.4 | 169.5 | -35.5 | 0 | 0 | 0 | 0 | 114.7 | H240 V282 E324 | H240-S280 VanDerWaalsContact NE2-CB 3.3Å; H240-S280 WeakPolarHBondContact NE2-CB 3.32Å; S280-V282 PolarHBondContact O-N 2.94Å; S280-E324 PolarHBondContact OG-OE2 3.5Å | ||
| 281 | K | 91.2 | Very high | 95 | Very high | 131 Ų | 131 | 58 Ų | 58 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | trans | -61.8 | 130.1 | 171.8 | 171.5 | -177.3 | 174.6 | -170.7 | 0 | 110 | Q279 W287 | Q279-K281 VanDerWaalsContact C-N 3.33Å; Q279-K281 PolarHBondContact O-N 2.89Å; K281-W287 HydrophobicContact CB-CB 4.4Å; K281-W287 HydrophobicContact CB-CD2 4.46Å; K281-W287 HydrophobicContact CB-CG 4.34Å; K281-W287 HydrophobicContact CD-CB 4.23Å; K281-W287 HydrophobicContact CD-CG 4.43Å; K281-W287 HydrophobicContact CG-CB 3.94Å; K281-W287 HydrophobicContact CG-CD2 4.19Å; K281-W287 HydrophobicContact CG-CG 3.73Å | ||
| 282 | V | 83.5 | Confident | 95 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | trans | -124.1 | 139.8 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | S280 W287 | S280-V282 PolarHBondContact O-N 2.94Å; V282-W287 HydrophobicContact CB-CZ2 4.34Å; V282-W287 HydrophobicContact CG2-CH2 3.63Å; V282-W287 HydrophobicContact CG2-CZ2 3.32Å; V282-W287 PolarHBondContact O-NE1 2.97Å | ||
| 283 | G | 84.6 | Confident | 95 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 74 | -177.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 284 | P | 85.9 | Confident | 95 | Very high | 138 Ų | 138 | 57.8 Ų | 57.8 | 90% | 0.896 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -84.4 | -12.5 | -171.1 | 33.2 | -36.4 | 0 | 0 | 0 | 114.2 | ||
| 285 | A | 88.3 | Confident | 95 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -62.2 | 162.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W287 | A285-W287 VanDerWaalsContact O-CD1 3.25Š|
| 286 | A | 95.7 | Very high | 95 | Very high | 65 Ų | 65 | 48 Ų | 48 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | trans | -77.9 | 129.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L244 | L244-A286 HydrophobicContact CD1-CB 3.84Å; L244-A286 PolarHBondContact N-O 2.67Å | ||
| 287 | W | 96.5 | Very high | 95 | Very high | 43 Ų | 43 | 49 Ų | 49 | 16% | 0.163 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -117.9 | 157.7 | 179.9 | -76.6 | 65.9 | 0 | 0 | 0 | 110.1 | S241 I242 P243 K281 V282 A285 G289 | S241-W287 WeakPolarHBondContact O-CZ3 3.47Å; I242-W287 VanDerWaalsContact C-CE3 3.45Å; P243-W287 HydrophobicContact CG-CD2 4.27Å; P243-W287 HydrophobicContact CG-CH2 4.19Å; P243-W287 HydrophobicContact CG-CZ2 3.8Å; K281-W287 HydrophobicContact CB-CB 4.4Å; K281-W287 HydrophobicContact CB-CD2 4.46Å; K281-W287 HydrophobicContact CB-CG 4.34Å; K281-W287 HydrophobicContact CD-CB 4.23Å; K281-W287 HydrophobicContact CD-CG 4.43Å; K281-W287 HydrophobicContact CG-CB 3.94Å; K281-W287 HydrophobicContact CG-CD2 4.19Å; K281-W287 HydrophobicContact CG-CG 3.73Å; V282-W287 HydrophobicContact CB-CZ2 4.34Å; V282-W287 HydrophobicContact CG2-CH2 3.63Å; V282-W287 HydrophobicContact CG2-CZ2 3.32Å; V282-W287 PolarHBondContact O-NE1 2.97Å; A285-W287 VanDerWaalsContact O-CD1 3.25Å; W287-G289 PolarHBondContact O-N 3.24Å |
| 288 | L | 97.2 | Very high | 95 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -61.6 | 128.7 | 177.8 | -173.8 | 62.3 | 0 | 0 | 0 | 110.1 | S241 I242 L244 V247 P254 W278 | S241-L288 PolarHBondContact OG-N 3.23Å; S241-L288 PolarHBondContact OG-O 3.43Å; I242-L288 PolarHBondContact O-N 2.73Å; L244-L288 HydrophobicContact CD2-CB 4.39Å; L244-L288 HydrophobicContact CD2-CD1 3.99Å; V247-L288 HydrophobicContact CG2-CB 4.35Å; V247-L288 HydrophobicContact CG2-CD1 4.46Å; V247-L288 HydrophobicContact CG2-CD2 4.19Å; P254-L288 HydrophobicContact CB-CD2 3.84Å; P254-L288 HydrophobicContact CG-CD2 3.49Å; P254-L288 VanDerWaalsContact CG-CD2 3.49Å; W278-L288 WeakPolarHBondContact CB-O 3.2Å; W278-L288 HydrophobicContact CD2-CB 4.49Å; W278-L288 HydrophobicContact CD2-CD2 3.67Å; W278-L288 HydrophobicContact CD2-CG 3.91Å; W278-L288 HydrophobicContact CE3-CD2 3.93Å; W278-L288 HydrophobicContact CG-CB 4.48Å; W278-L288 HydrophobicContact CG-CD2 4.41Å; W278-L288 HydrophobicContact CG-CG 4.14Å; W278-L288 HydrophobicContact CH2-CD2 3.69Å; W278-L288 HydrophobicContact CZ2-CD2 3.38Å; W278-L288 HydrophobicContact CZ2-CG 4.09Å; W278-L288 HydrophobicContact CZ3-CD2 3.94Å |
| 289 | G | 97 | Very high | 95 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -125.2 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W278 W287 | W278-G289 VanDerWaalsContact CD1-O 3.32Å; W278-G289 PolarHBondContact NE1-O 2.86Å; W287-G289 PolarHBondContact O-N 3.24Å |
| 290 | P | 97.9 | Very high | 95 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | S | Bend | cis | -71.9 | 156.7 | 2.2 | 31.8 | -36.6 | 0 | 0 | 0 | 113 | T277 W278 | T277-P290 HydrophobicContact CG2-CG 4.47Å; W278-P290 PolarHBondContact N-O 3.4Å |
| 291 | S | 98.1 | Very high | 95.2 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 151.9 | 174.6 | 77.4 | 0 | 0 | 0 | 0 | 111.1 | W278 E293 D294 T295 | W278-S291 CarbonylContact O-C 3.6Å; W278-S291 WeakPolarHBondContact O-CA 3.16Å; S291-E293 VanDerWaalsContact C-N 3.27Å; S291-E293 PolarHBondContact O-N 2.8Å; S291-D294 PolarHBondContact O-N 3.25Å; S291-D294 VanDerWaalsContact OG-CB 3.25Å; S291-D294 WeakPolarHBondContact OG-CB 3.4Å; S291-D294 PolarHBondContact OG-N 2.9Å; S291-D294 PolarHBondContact OG-OD2 3.21Å; S291-T295 WeakPolarHBondContact O-CB 3.28Å; S291-T295 PolarHBondContact O-N 2.65Å; S291-T295 PolarHBondContact O-OG1 3.44Å |
| 292 | T | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | I236 S238 T277 W278 T295 L296 L309 Y329 | I236-T292 HydrophobicContact CG2-CG2 4.32Å; S238-T292 PolarHBondContact OG-OG1 2.98Å; T277-T292 PolarHBondContact OG1-OG1 2.85Å; W278-T292 PolarHBondContact O-N 2.78Å; T292-T295 PolarHBondContact O-N 3.3Å; T292-L296 PolarHBondContact O-N 3.14Å; T292-L296 VanDerWaalsContact O-N 3.13Å; T292-L309 HydrophobicContact CG2-CD2 4.17Å; T292-Y329 HydrophobicContact CG2-CD2 3.78Å; T292-Y329 HydrophobicContact CG2-CE2 4.01Å; T292-Y329 HydrophobicContact CG2-CG 4.26Å |
| 293 | E | 98.2 | Very high | 96.2 | Very high | 85 Ų | 85 | 57.5 Ų | 57.5 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.6 | -55.3 | 174.5 | 176.2 | 176 | -177.3 | 0 | 0 | 112.4 | S291 T295 L296 Y297 Y329 V333 | S291-E293 VanDerWaalsContact C-N 3.27Å; S291-E293 PolarHBondContact O-N 2.8Å; E293-T295 PolarHBondContact O-N 3.22Å; E293-L296 PolarHBondContact O-N 3.11Å; E293-L296 VanDerWaalsContact O-N 3.08Å; E293-Y297 HydrophobicContact CG-CD2 4.05Å; E293-Y297 HydrophobicContact CG-CE2 3.72Å; E293-Y297 VanDerWaalsContact O-CD2 3.31Å; E293-Y297 WeakPolarHBondContact O-CD2 3.47Å; E293-Y297 PolarHBondContact O-N 3.2Å; E293-Y329 HydrophobicContact CB-CE1 4.49Å; E293-V333 HydrophobicContact CB-CG1 4.34Å; E293-V333 HydrophobicContact CG-CG1 3.83Å; E293-V333 HydrophobicContact CG-CG2 4.08Å |
| 294 | D | 98.3 | Very high | 96.9 | Very high | 99 Ų | 99 | 59.7 Ų | 59.7 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -31.5 | -179.6 | -68.3 | -45.2 | 0 | 0 | 0 | 111.9 | S291 G298 | S291-D294 PolarHBondContact O-N 3.25Å; S291-D294 VanDerWaalsContact OG-CB 3.25Å; S291-D294 WeakPolarHBondContact OG-CB 3.4Å; S291-D294 PolarHBondContact OG-N 2.9Å; S291-D294 PolarHBondContact OG-OD2 3.21Å; D294-G298 PolarHBondContact O-N 3.26Å |
| 295 | T | 98.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 10% | 0.104 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | I236 T277 S291 T292 E293 G298 L299 | I236-T295 HydrophobicContact CD1-CG2 4.31Å; T277-T295 HydrophobicContact CG2-CG2 3.69Å; T277-T295 WeakPolarHBondContact CG2-OG1 3.24Å; S291-T295 WeakPolarHBondContact O-CB 3.28Å; S291-T295 PolarHBondContact O-N 2.65Å; S291-T295 PolarHBondContact O-OG1 3.44Å; T292-T295 PolarHBondContact O-N 3.3Å; E293-T295 PolarHBondContact O-N 3.22Å; T295-G298 PolarHBondContact O-N 3.23Å; T295-L299 HydrophobicContact CG2-CD1 3.93Å; T295-L299 HydrophobicContact CG2-CG 4.16Å; T295-L299 WeakPolarHBondContact O-CB 3.44Å; T295-L299 VanDerWaalsContact O-CG 3.27Å; T295-L299 WeakPolarHBondContact O-CG 3.38Å; T295-L299 PolarHBondContact O-N 3.1Å |
| 296 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.2 | -70.7 | 171.7 | 0 | 0 | 0 | 111.5 | I236 T292 E293 G298 L299 S300 A307 L309 V333 A337 M339 V342 | I236-L296 HydrophobicContact CD1-CD2 3.69Å; I236-L296 HydrophobicContact CD1-CG 4.41Å; T292-L296 PolarHBondContact O-N 3.14Å; T292-L296 VanDerWaalsContact O-N 3.13Å; E293-L296 PolarHBondContact O-N 3.11Å; E293-L296 VanDerWaalsContact O-N 3.08Å; L296-G298 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 3Å; L296-L299 PolarHBondContact O-N 2.75Å; L296-S300 WeakPolarHBondContact O-CB 3.47Å; L296-S300 PolarHBondContact O-N 3.37Å; L296-A307 HydrophobicContact CD2-CB 4.07Å; L296-L309 HydrophobicContact CD2-CD2 4.5Å; L296-V333 HydrophobicContact CB-CG1 4.19Å; L296-V333 HydrophobicContact CD1-CB 4.37Å; L296-V333 HydrophobicContact CD1-CG1 3.74Å; L296-A337 HydrophobicContact CB-CB 4.49Å; L296-M339 HydrophobicContact CD2-CE 4.27Å; L296-V342 HydrophobicContact CD1-CG1 4.44Å; L296-V342 HydrophobicContact CD2-CG1 4.1Å; L296-V342 HydrophobicContact CD2-CG2 3.87Å |
| 297 | Y | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 173.9 | -73.6 | -75.9 | 0 | 0 | 0 | 112.4 | E293 S300 R301 V333 K336 A337 | E293-Y297 HydrophobicContact CG-CD2 4.05Å; E293-Y297 HydrophobicContact CG-CE2 3.72Å; E293-Y297 VanDerWaalsContact O-CD2 3.31Å; E293-Y297 WeakPolarHBondContact O-CD2 3.47Å; E293-Y297 PolarHBondContact O-N 3.2Å; Y297-S300 PolarHBondContact O-N 2.87Å; Y297-R301 WeakPolarHBondContact O-CG 3.28Å; Y297-R301 PolarHBondContact O-N 3.34Å; Y297-V333 HydrophobicContact CE2-CG1 4.05Å; Y297-K336 HydrophobicContact CE1-CB 4.3Å; Y297-K336 VanDerWaalsContact OH-CB 3.25Å; Y297-K336 WeakPolarHBondContact OH-CB 3.28Å; Y297-A337 HydrophobicContact CD1-CB 3.56Å; Y297-A337 VanDerWaalsContact CE1-CA 3.46Å; Y297-A337 HydrophobicContact CE1-CB 3.78Å; Y297-A337 HydrophobicContact CG-CB 3.97Å |
| 298 | G | 98.5 | Very high | 98.2 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | D294 T295 L296 R301 L302 | D294-G298 PolarHBondContact O-N 3.26Å; T295-G298 PolarHBondContact O-N 3.23Å; L296-G298 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 3Å; G298-R301 PolarHBondContact O-N 2.82Å; G298-L302 WeakPolarHBondContact O-CG 3.44Å; G298-L302 PolarHBondContact O-N 3.34Å; G298-L302 VanDerWaalsContact O-N 3.16Å |
| 299 | L | 98.5 | Very high | 98.3 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 177 | -73.8 | 175.7 | 0 | 0 | 0 | 111.6 | V234 I236 T295 L296 R301 L302 G303 Y304 | V234-L299 HydrophobicContact CB-CD1 4.19Å; V234-L299 HydrophobicContact CG1-CD1 3.88Å; V234-L299 HydrophobicContact CG1-CD2 4.31Å; V234-L299 HydrophobicContact CG2-CD2 4.45Å; I236-L299 HydrophobicContact CD1-CD1 3.62Å; I236-L299 HydrophobicContact CG1-CD1 4.17Å; T295-L299 HydrophobicContact CG2-CD1 3.93Å; T295-L299 HydrophobicContact CG2-CG 4.16Å; T295-L299 WeakPolarHBondContact O-CB 3.44Å; T295-L299 VanDerWaalsContact O-CG 3.27Å; T295-L299 WeakPolarHBondContact O-CG 3.38Å; T295-L299 PolarHBondContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 2.75Å; L299-R301 VanDerWaalsContact C-N 3.35Å; L299-R301 PolarHBondContact O-N 3.35Å; L299-L302 CarbonylContact O-C 3.54Å; L299-L302 PolarHBondContact O-N 3.49Å; L299-L302 VanDerWaalsContact O-N 3.07Å; L299-G303 PolarHBondContact O-N 2.9Å; L299-Y304 HydrophobicContact CB-CD2 4.48Å; L299-Y304 HydrophobicContact CD2-CD2 3.73Å; L299-Y304 HydrophobicContact CD2-CE2 4.24Å; L299-Y304 HydrophobicContact CD2-CG 4.27Å; L299-Y304 PolarHBondContact O-N 3.4Å |
| 300 | S | 98.2 | Very high | 98.4 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | L296 Y297 L302 G303 Y304 R305 A337 | L296-S300 WeakPolarHBondContact O-CB 3.47Å; L296-S300 PolarHBondContact O-N 3.37Å; Y297-S300 PolarHBondContact O-N 2.87Å; S300-L302 PolarHBondContact O-N 3.43Å; S300-G303 PolarHBondContact O-N 2.84Å; S300-Y304 WeakPolarHBondContact CA-O 3.45Å; S300-R305 PolarHBondContact O-NH1 3.24Å; S300-A337 WeakPolarHBondContact CB-O 3.23Å; S300-A337 PolarHBondContact OG-O 2.98Å |
| 301 | R | 98.3 | Very high | 98.4 | Very high | 188 Ų | 188 | 44.3 Ų | 44.3 | 71% | 0.709 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.1 | -30.2 | 174.7 | -73.1 | -171.9 | -60.2 | -94 | 2.4 | 113.5 | Y297 G298 L299 G303 | Y297-R301 WeakPolarHBondContact O-CG 3.28Å; Y297-R301 PolarHBondContact O-N 3.34Å; G298-R301 PolarHBondContact O-N 2.82Å; L299-R301 VanDerWaalsContact C-N 3.35Å; L299-R301 PolarHBondContact O-N 3.35Å; R301-G303 VanDerWaalsContact C-N 3.29Å |
| 302 | L | 98 | Very high | 98.4 | Very high | 136 Ų | 136 | 42.8 Ų | 42.8 | 71% | 0.712 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.5 | 176.8 | -68.6 | 173 | 0 | 0 | 0 | 113.7 | G298 L299 S300 Y304 | G298-L302 WeakPolarHBondContact O-CG 3.44Å; G298-L302 PolarHBondContact O-N 3.34Å; G298-L302 VanDerWaalsContact O-N 3.16Å; L299-L302 CarbonylContact O-C 3.54Å; L299-L302 PolarHBondContact O-N 3.49Å; L299-L302 VanDerWaalsContact O-N 3.07Å; S300-L302 PolarHBondContact O-N 3.43Å; L302-Y304 HydrophobicContact CB-CD2 4.03Å; L302-Y304 HydrophobicContact CB-CE2 4.24Å |
| 303 | G | 97.5 | Very high | 98.4 | Very high | 48 Ų | 48 | 43 Ų | 43 | 50% | 0.495 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L299 S300 R301 R305 | L299-G303 PolarHBondContact O-N 2.9Å; S300-G303 PolarHBondContact O-N 2.84Å; R301-G303 VanDerWaalsContact C-N 3.29Å; G303-R305 VanDerWaalsContact C-NH1 3.26Å; G303-R305 VanDerWaalsContact CA-NH1 3.35Å; G303-R305 PolarHBondContact O-NH1 3.16Å |
| 304 | Y | 98 | Very high | 98.4 | Very high | 95 Ų | 95 | 40 Ų | 40 | 37% | 0.373 | 20% | 0.198 | S | C | . | . | trans | -72.4 | 142.5 | 172 | -64 | -80.1 | 0 | 0 | 0 | 110.3 | V234 L299 S300 L302 | V234-Y304 HydrophobicContact CG2-CD1 3.37Å; V234-Y304 HydrophobicContact CG2-CE1 3.86Å; V234-Y304 HydrophobicContact CG2-CG 3.75Å; L299-Y304 HydrophobicContact CB-CD2 4.48Å; L299-Y304 HydrophobicContact CD2-CD2 3.73Å; L299-Y304 HydrophobicContact CD2-CE2 4.24Å; L299-Y304 HydrophobicContact CD2-CG 4.27Å; L299-Y304 PolarHBondContact O-N 3.4Å; S300-Y304 WeakPolarHBondContact CA-O 3.45Å; L302-Y304 HydrophobicContact CB-CD2 4.03Å; L302-Y304 HydrophobicContact CB-CE2 4.24Å | ||
| 305 | R | 97.8 | Very high | 98.3 | Very high | 94 Ų | 94 | 35.4 Ų | 35.4 | 36% | 0.355 | 17% | 0.174 | S | C | . | . | trans | -129.2 | -12 | -175.8 | -65.9 | -65.2 | 178.5 | -88.9 | 2.6 | 114.4 | S300 G303 G338 V340 S341 | S300-R305 PolarHBondContact O-NH1 3.24Å; G303-R305 VanDerWaalsContact C-NH1 3.26Å; G303-R305 VanDerWaalsContact CA-NH1 3.35Å; G303-R305 PolarHBondContact O-NH1 3.16Å; R305-G338 WeakPolarHBondContact CD-O 3.32Å; R305-V340 HydrophobicContact CB-CB 4.08Å; R305-V340 HydrophobicContact CB-CG2 3.82Å; R305-V340 HydrophobicContact CG-CG2 4.21Å; R305-V340 PolarHBondContact O-N 3.18Å; R305-S341 PolarHBondContact O-N 3.31Å; R305-S341 VanDerWaalsContact O-N 3.09Å | ||
| 306 | H | 98.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 11% | 0.106 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.6 | -177 | -51.2 | -87.3 | 0 | 0 | 0 | 109 | E229 T233 V234 S341 | E229-H306 WeakPolarHBondContact CG-CE1 3.42Å; E229-H306 IonicContact OE1-CE1 3.54Å; E229-H306 IonicContact OE2-CE1 3.52Å; E229-H306 IonicContact OE2-ND1 3.65Å; T233-H306 WeakPolarHBondContact CA-O 3.45Å; V234-H306 PolarHBondContact N-O 3.3Å; H306-S341 CarbonylContact C-O 3.57Å; H306-S341 VanDerWaalsContact CA-O 3.29Å; H306-S341 WeakPolarHBondContact CA-O 3.45Å |
| 307 | A | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V234 I236 L296 M339 S341 V342 R343 | V234-A307 CarbonylContact O-C 3.57Å; V234-A307 VanDerWaalsContact O-CA 3.28Å; V234-A307 WeakPolarHBondContact O-CA 3.48Å; I236-A307 HydrophobicContact CD1-CB 3.8Å; I236-A307 HydrophobicContact CG1-CB 4.38Å; L296-A307 HydrophobicContact CD2-CB 4.07Å; A307-M339 HydrophobicContact CB-CE 3.79Å; A307-S341 PolarHBondContact N-O 3.42Å; A307-V342 HydrophobicContact CB-CG1 4.48Å; A307-V342 HydrophobicContact CB-CG2 4.34Å; A307-V342 WeakPolarHBondContact O-CA 3.48Å; A307-R343 PolarHBondContact O-N 3.07Å |
| 308 | L | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.6 | 171 | 172.8 | 56.5 | 0 | 0 | 0 | 108.3 | I217 E220 L221 T233 V234 L235 I236 I310 R343 | I217-L308 HydrophobicContact CG2-CD2 4.13Å; E220-L308 HydrophobicContact CB-CD1 4.2Å; E220-L308 HydrophobicContact CB-CD2 4.11Å; E220-L308 HydrophobicContact CG-CD1 3.48Å; E220-L308 VanDerWaalsContact CG-CD1 3.48Å; E220-L308 HydrophobicContact CG-CD2 4.16Å; E220-L308 HydrophobicContact CG-CG 4.49Å; L221-L308 HydrophobicContact CD2-CD2 4.12Å; L221-L308 HydrophobicContact CG-CD2 3.91Å; T233-L308 HydrophobicContact CG2-CB 3.76Å; V234-L308 PolarHBondContact O-N 3.24Å; L235-L308 HydrophobicContact CD2-CB 3.93Å; L235-L308 HydrophobicContact CD2-CD2 3.92Å; L235-L308 HydrophobicContact CD2-CG 4.27Å; I236-L308 PolarHBondContact N-O 3.24Å; L308-I310 HydrophobicContact CG-CD1 4.33Å; L308-I310 WeakPolarHBondContact O-CD1 3.45Å; L308-R343 CarbonylContact C-O 3.56Å; L308-R343 WeakPolarHBondContact CA-O 3.43Å; L308-R343 HydrophobicContact CD1-CB 4.11Å |
| 309 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 133.6 | 175.3 | -50.7 | -173.9 | 0 | 0 | 0 | 110.4 | I236 T292 L296 M325 Y329 V342 R343 R344 S345 | I236-L309 HydrophobicContact CB-CD2 3.74Å; I236-L309 HydrophobicContact CD1-CD2 3.94Å; I236-L309 HydrophobicContact CG1-CD2 4.34Å; I236-L309 HydrophobicContact CG2-CD2 3.96Å; I236-L309 CarbonylContact O-C 3.46Å; I236-L309 WeakPolarHBondContact O-CA 3.47Å; T292-L309 HydrophobicContact CG2-CD2 4.17Å; L296-L309 HydrophobicContact CD2-CD2 4.5Å; L309-M325 HydrophobicContact CB-CE 3.37Å; L309-M325 HydrophobicContact CD1-CB 4.35Å; L309-M325 HydrophobicContact CD1-CE 4.23Å; L309-M325 HydrophobicContact CG-CE 4.44Å; L309-Y329 HydrophobicContact CD1-CD2 4.19Å; L309-Y329 HydrophobicContact CD1-CG 4.39Å; L309-V342 HydrophobicContact CD1-CG1 3.98Å; L309-V342 HydrophobicContact CD2-CG1 4.06Å; L309-V342 HydrophobicContact CG-CG1 3.79Å; L309-R343 PolarHBondContact N-O 3.39Å; L309-R344 HydrophobicContact CB-CB 4.41Å; L309-R344 HydrophobicContact CB-CG 4.47Å; L309-R344 CarbonylContact O-C 3.59Å; L309-R344 VanDerWaalsContact O-CA 3.31Å; L309-R344 WeakPolarHBondContact O-CA 3.42Å; L309-S345 PolarHBondContact O-N 3.33Å |
| 310 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117.9 | 178.8 | -55.9 | 91.5 | 0 | 0 | 0 | 109 | F213 I217 L235 I236 F237 S238 L308 V312 | F213-I310 HydrophobicContact CD1-CG2 4.04Å; F213-I310 HydrophobicContact CE1-CG2 4.29Å; I217-I310 HydrophobicContact CD1-CG1 3.84Å; I217-I310 HydrophobicContact CD1-CG2 4.13Å; I217-I310 HydrophobicContact CG1-CG1 3.75Å; I217-I310 HydrophobicContact CG1-CG2 4.37Å; L235-I310 HydrophobicContact CB-CD1 3.91Å; I236-I310 PolarHBondContact O-N 3.01Å; F237-I310 HydrophobicContact CD1-CB 3.79Å; F237-I310 HydrophobicContact CD1-CD1 4.3Å; F237-I310 HydrophobicContact CD1-CG1 4.26Å; F237-I310 HydrophobicContact CD1-CG2 3.84Å; F237-I310 HydrophobicContact CD2-CD1 4.39Å; F237-I310 HydrophobicContact CE1-CB 4.15Å; F237-I310 HydrophobicContact CE1-CD1 4.32Å; F237-I310 HydrophobicContact CE1-CG1 4.21Å; F237-I310 HydrophobicContact CE1-CG2 4.01Å; F237-I310 HydrophobicContact CE2-CD1 4.39Å; F237-I310 HydrophobicContact CG-CB 4.36Å; F237-I310 HydrophobicContact CG-CD1 4.35Å; F237-I310 HydrophobicContact CZ-CD1 4.36Å; S238-I310 PolarHBondContact N-O 2.92Å; L308-I310 HydrophobicContact CG-CD1 4.33Å; L308-I310 WeakPolarHBondContact O-CD1 3.45Å; I310-V312 HydrophobicContact CG2-CB 4.43Å; I310-V312 PolarHBondContact O-N 3.09Å |
| 311 | P | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -75.6 | 63.6 | 179 | 31.6 | -34.5 | 0 | 0 | 0 | 112 | A313 F314 T321 M325 S345 | P311-A313 PolarHBondContact O-N 3.18Å; P311-A313 VanDerWaalsContact O-N 3.1Å; P311-F314 HydrophobicContact CB-CB 4.42Å; P311-F314 HydrophobicContact CB-CD2 3.84Å; P311-F314 PolarHBondContact O-N 3.24Å; P311-F314 VanDerWaalsContact O-O 3.14Å; P311-T321 HydrophobicContact CB-CG2 3.67Å; P311-T321 HydrophobicContact CG-CG2 4.33Å; P311-M325 HydrophobicContact CB-CE 4.15Å; P311-M325 HydrophobicContact CB-SD 3.77Å; P311-S345 WeakPolarHBondContact CD-OG 3.22Å | ||
| 312 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.7 | -162.9 | 73.9 | 0 | 0 | 0 | 0 | 115.2 | Q153 F237 S238 A239 V257 T260 V261 I264 I310 | Q153-V312 PolarHBondContact NE2-O 3.16Å; F237-V312 HydrophobicContact CB-CB 4.29Å; F237-V312 HydrophobicContact CB-CG1 4.08Å; F237-V312 HydrophobicContact CD1-CB 3.97Å; F237-V312 HydrophobicContact CD1-CG2 3.88Å; S238-V312 PolarHBondContact O-N 2.98Å; A239-V312 HydrophobicContact CB-CG1 4.09Å; V257-V312 HydrophobicContact CG1-CG1 3.89Å; T260-V312 HydrophobicContact CG2-CG2 3.76Å; V261-V312 HydrophobicContact CG2-CG1 4.27Å; V261-V312 HydrophobicContact CG2-CG2 4.03Å; I264-V312 HydrophobicContact CD1-CG2 3.79Å; I310-V312 HydrophobicContact CG2-CB 4.43Å; I310-V312 PolarHBondContact O-N 3.09Å |
| 313 | A | 97.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 5% | 0.05 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 1.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A239 Y253 P311 | A239-A313 HydrophobicContact CB-CB 3.82Å; Y253-A313 WeakPolarHBondContact OH-CB 3.33Å; P311-A313 PolarHBondContact O-N 3.18Å; P311-A313 VanDerWaalsContact O-N 3.1Å |
| 314 | F | 97.9 | Very high | 98.2 | Very high | 20 Ų | 20 | 20.9 Ų | 20.9 | 9% | 0.088 | 9% | 0.093 | C | C | . | . | trans | -127.6 | 129.4 | -171.8 | -46.9 | -68.1 | 0 | 0 | 0 | 111.1 | H240 P311 H318 E320 T321 | H240-F314 HydrophobicContact CB-CE1 4.13Å; H240-F314 HydrophobicContact CB-CZ 3.82Å; P311-F314 HydrophobicContact CB-CB 4.42Å; P311-F314 HydrophobicContact CB-CD2 3.84Å; P311-F314 PolarHBondContact O-N 3.24Å; P311-F314 VanDerWaalsContact O-O 3.14Å; F314-H318 AromaticContact CD1-CE1 3.24Å; F314-H318 WeakPolarHBondContact CD1-CE1 3.48Å; F314-H318 AromaticContact CD1-NE2 3.03Å; F314-H318 WeakPolarHBondContact CD1-NE2 3.4Å; F314-H318 AromaticContact CD2-CE1 3.79Å; F314-H318 AromaticContact CE1-CE1 3.66Å; F314-H318 AromaticContact CE1-NE2 3.24Å; F314-H318 WeakPolarHBondContact CE1-NE2 3.26Å; F314-H318 AromaticContact CG-CE1 3.28Å; F314-H318 WeakPolarHBondContact CG-CE1 3.48Å; F314-H318 AromaticContact CG-NE2 3.62Å; F314-H318 AromaticContact CZ-NE2 4Å; F314-E320 HydrophobicContact CE1-CB 4.42Å; F314-E320 HydrophobicContact CE2-CB 4.29Å; F314-E320 HydrophobicContact CZ-CB 3.91Å; F314-E320 HydrophobicContact CZ-CG 4.35Å; F314-T321 HydrophobicContact CB-CG2 4.45Å; F314-T321 HydrophobicContact CD2-CG2 4.11Å | ||
| 315 | T | 97.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -95.9 | -18 | 178.3 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | P152 W203 L209 L348 N349 F354 | P152-T315 HydrophobicContact CG-CG2 3.85Å; W203-T315 HydrophobicContact CH2-CG2 3.77Å; W203-T315 HydrophobicContact CZ2-CG2 4.4Å; L209-T315 HydrophobicContact CD1-CG2 4.25Å; T315-L348 WeakPolarHBondContact O-CB 3.26Å; T315-L348 PolarHBondContact O-N 3.26Å; T315-N349 PolarHBondContact O-N 2.89Å; T315-F354 HydrophobicContact CG2-CE1 4.31Å; T315-F354 HydrophobicContact CG2-CZ 3.73Å |
| 316 | L | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -128.8 | 150.2 | -176.5 | -47.8 | 177.5 | 0 | 0 | 0 | 110 | I92 W95 T96 Q99 H318 N349 | I92-L316 HydrophobicContact CG1-CB 4.17Å; I92-L316 HydrophobicContact CG1-CD1 3.75Å; W95-L316 HydrophobicContact CB-CB 4.16Å; W95-L316 HydrophobicContact CB-CD1 4.29Å; W95-L316 HydrophobicContact CB-CD2 3.74Å; W95-L316 HydrophobicContact CB-CG 4.27Å; T96-L316 WeakPolarHBondContact OG1-CD1 3.43Å; Q99-L316 HydrophobicContact CG-CD2 4.06Å; L316-H318 PolarHBondContact O-ND1 3.38Å; L316-N349 WeakPolarHBondContact CA-OD1 3.25Å |
| 317 | D | 98.5 | Very high | 98.2 | Very high | 16 Ų | 16 | 15.2 Ų | 15.2 | 9% | 0.086 | 8% | 0.076 | C | C | . | . | trans | -69.7 | 144.1 | 169.2 | -81.8 | -38.8 | 0 | 0 | 0 | 112.7 | P91 T321 L322 R344 S347 N349 | P91-D317 HydrophobicContact CG-CB 4.25Å; D317-T321 WeakPolarHBondContact CA-OG1 3.43Å; D317-T321 WeakPolarHBondContact OD1-CB 3.3Å; D317-T321 PolarHBondContact OD1-OG1 3.04Å; D317-L322 HydrophobicContact CB-CD1 4.08Å; D317-L322 HydrophobicContact CB-CD2 4.14Å; D317-L322 HydrophobicContact CB-CG 4Å; D317-R344 IonicContact OD1-CZ 3.64Å; D317-R344 IonicContact OD1-NH1 3.8Å; D317-R344 PolarHBondContact OD1-NH1 3.29Å; D317-R344 IonicContact OD1-NH2 2.54Å; D317-S347 VanDerWaalsContact OD1-CB 3.3Å; D317-S347 WeakPolarHBondContact OD1-CB 3.3Å; D317-S347 PolarHBondContact OD1-OG 3.42Å; D317-N349 PolarHBondContact N-OD1 3.19Å; D317-N349 PolarHBondContact OD2-ND2 3.01Å | ||
| 318 | H | 97.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 17.2 Ų | 17.2 | 9% | 0.088 | 9% | 0.085 | C | C | . | . | trans | -165.4 | -172.6 | -177.1 | 57.5 | -20.9 | 0 | 0 | 0 | 109 | I92 F314 L316 E320 T321 L322 | I92-H318 HydrophobicContact CB-CB 4.41Å; I92-H318 HydrophobicContact CD1-CB 4.36Å; F314-H318 AromaticContact CD1-CE1 3.24Å; F314-H318 WeakPolarHBondContact CD1-CE1 3.48Å; F314-H318 AromaticContact CD1-NE2 3.03Å; F314-H318 WeakPolarHBondContact CD1-NE2 3.4Å; F314-H318 AromaticContact CD2-CE1 3.79Å; F314-H318 AromaticContact CE1-CE1 3.66Å; F314-H318 AromaticContact CE1-NE2 3.24Å; F314-H318 WeakPolarHBondContact CE1-NE2 3.26Å; F314-H318 AromaticContact CG-CE1 3.28Å; F314-H318 WeakPolarHBondContact CG-CE1 3.48Å; F314-H318 AromaticContact CG-NE2 3.62Å; F314-H318 AromaticContact CZ-NE2 4Å; L316-H318 PolarHBondContact O-ND1 3.38Å; H318-E320 VanDerWaalsContact C-N 3.27Å; H318-E320 IonicContact CD2-OE2 3.8Å; H318-E320 PolarHBondContact CD2-OE2 2.89Å; H318-E320 IonicContact CE1-OE2 2.74Å; H318-E320 IonicContact CG-OE2 3.41Å; H318-E320 VanDerWaalsContact CG-OE2 3.31Å; H318-E320 IonicContact ND1-OE2 3.22Å; H318-E320 IonicContact NE2-OE2 3.68Å; H318-E320 PolarHBondContact NE2-OE2 3.36Å; H318-E320 PolarHBondContact O-N 3.25Å; H318-T321 PolarHBondContact N-OG1 3.18Å; H318-T321 VanDerWaalsContact N-OG1 3.09Å; H318-T321 PolarHBondContact O-N 3.44Å; H318-T321 VanDerWaalsContact O-N 3.1Å; H318-T321 PolarHBondContact O-OG1 3Å; H318-L322 PolarHBondContact O-N 3.3Å | ||
| 319 | I | 97.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 17.9 Ų | 17.9 | 7% | 0.067 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.6 | -35.9 | -174.7 | -169.3 | 168.7 | 0 | 0 | 0 | 112.5 | I79 Q82 Y83 I86 T321 Y323 E324 | I79-I319 HydrophobicContact CG2-CD1 4.46Å; Q82-I319 HydrophobicContact CB-CD1 3.76Å; Y83-I319 HydrophobicContact CD1-CD1 4.35Å; Y83-I319 HydrophobicContact CD2-CD1 4.04Å; Y83-I319 HydrophobicContact CE1-CB 3.85Å; Y83-I319 HydrophobicContact CE1-CD1 4.08Å; Y83-I319 HydrophobicContact CE1-CG1 4.41Å; Y83-I319 HydrophobicContact CE1-CG2 4.42Å; Y83-I319 HydrophobicContact CE2-CD1 3.76Å; Y83-I319 HydrophobicContact CG-CD1 4.31Å; I86-I319 HydrophobicContact CD1-CB 4.29Å; I319-T321 PolarHBondContact O-N 3.44Å; I319-Y323 HydrophobicContact CG1-CG 4.43Å; I319-Y323 WeakPolarHBondContact O-CA 3.31Å; I319-Y323 VanDerWaalsContact O-CB 3.3Å; I319-Y323 WeakPolarHBondContact O-CB 3.1Å; I319-Y323 PolarHBondContact O-N 2.93Å; I319-E324 PolarHBondContact O-N 3.1Å |
| 320 | E | 97.9 | Very high | 98.1 | Very high | 43 Ų | 43 | 18.9 Ų | 18.9 | 20% | 0.201 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.7 | -17.1 | 178.5 | -67.2 | 87.3 | 165 | 0 | 0 | 113.4 | Q279 F314 H318 M325 | Q279-E320 PolarHBondContact NE2-O 3.38Å; F314-E320 HydrophobicContact CE1-CB 4.42Å; F314-E320 HydrophobicContact CE2-CB 4.29Å; F314-E320 HydrophobicContact CZ-CB 3.91Å; F314-E320 HydrophobicContact CZ-CG 4.35Å; H318-E320 VanDerWaalsContact C-N 3.27Å; H318-E320 IonicContact CD2-OE2 3.8Å; H318-E320 PolarHBondContact CD2-OE2 2.89Å; H318-E320 IonicContact CE1-OE2 2.74Å; H318-E320 IonicContact CG-OE2 3.41Å; H318-E320 VanDerWaalsContact CG-OE2 3.31Å; H318-E320 IonicContact ND1-OE2 3.22Å; H318-E320 IonicContact NE2-OE2 3.68Å; H318-E320 PolarHBondContact NE2-OE2 3.36Å; H318-E320 PolarHBondContact O-N 3.25Å; E320-M325 WeakPolarHBondContact O-CG 3.5Å |
| 321 | T | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -102.6 | -55.8 | 173.2 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | P311 F314 D317 H318 I319 Y323 M325 D326 | P311-T321 HydrophobicContact CB-CG2 3.67Å; P311-T321 HydrophobicContact CG-CG2 4.33Å; F314-T321 HydrophobicContact CB-CG2 4.45Å; F314-T321 HydrophobicContact CD2-CG2 4.11Å; D317-T321 WeakPolarHBondContact CA-OG1 3.43Å; D317-T321 WeakPolarHBondContact OD1-CB 3.3Å; D317-T321 PolarHBondContact OD1-OG1 3.04Å; H318-T321 PolarHBondContact N-OG1 3.18Å; H318-T321 VanDerWaalsContact N-OG1 3.09Å; H318-T321 PolarHBondContact O-N 3.44Å; H318-T321 VanDerWaalsContact O-N 3.1Å; H318-T321 PolarHBondContact O-OG1 3Å; I319-T321 PolarHBondContact O-N 3.44Å; T321-Y323 PolarHBondContact O-N 2.98Å; T321-M325 HydrophobicContact CG2-SD 4.14Å; T321-M325 VanDerWaalsContact O-CB 3.32Å; T321-M325 WeakPolarHBondContact O-CB 3.37Å; T321-M325 PolarHBondContact O-N 3.27Å; T321-D326 PolarHBondContact O-N 2.7Å; T321-D326 VanDerWaalsContact O-N 3.13Å |
| 322 | L | 98.4 | Very high | 98 | Very high | 39 Ų | 39 | 26.6 Ų | 26.6 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.5 | -29.4 | -171.8 | -62.4 | 178.9 | 0 | 0 | 0 | 113.4 | I86 P91 D317 H318 | I86-L322 HydrophobicContact CB-CB 3.96Å; I86-L322 HydrophobicContact CB-CD1 4.33Å; I86-L322 HydrophobicContact CD1-CB 4.26Å; I86-L322 HydrophobicContact CD1-CD1 4.39Å; I86-L322 HydrophobicContact CG2-CB 3.59Å; P91-L322 HydrophobicContact CG-CD1 3.77Å; D317-L322 HydrophobicContact CB-CD1 4.08Å; D317-L322 HydrophobicContact CB-CD2 4.14Å; D317-L322 HydrophobicContact CB-CG 4Å; H318-L322 PolarHBondContact O-N 3.3Å |
| 323 | Y | 98.3 | Very high | 98 | Very high | 25 Ų | 25 | 27 Ų | 27 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -60.2 | 178.3 | -176.1 | -91.2 | 0 | 0 | 0 | 111 | Q82 H85 I319 T321 M325 I327 E328 | Q82-Y323 HydrophobicContact CB-CD1 3.98Å; Q82-Y323 HydrophobicContact CB-CD2 3.84Å; Q82-Y323 HydrophobicContact CB-CE1 3.99Å; Q82-Y323 HydrophobicContact CB-CE2 3.88Å; Q82-Y323 HydrophobicContact CB-CG 3.92Å; Q82-Y323 VanDerWaalsContact CD-CE1 3.48Å; Q82-Y323 HydrophobicContact CG-CD1 3.95Å; Q82-Y323 HydrophobicContact CG-CD2 4.27Å; Q82-Y323 HydrophobicContact CG-CE1 3.47Å; Q82-Y323 VanDerWaalsContact CG-CE1 3.47Å; Q82-Y323 HydrophobicContact CG-CE2 3.86Å; Q82-Y323 HydrophobicContact CG-CG 4.33Å; Q82-Y323 VanDerWaalsContact CG-CZ 3.45Å; H85-Y323 HydrophobicContact CB-CD2 4.05Å; H85-Y323 HydrophobicContact CB-CE2 4.18Å; H85-Y323 AromaticContact ND1-CE2 3.66Å; I319-Y323 HydrophobicContact CG1-CG 4.43Å; I319-Y323 WeakPolarHBondContact O-CA 3.31Å; I319-Y323 VanDerWaalsContact O-CB 3.3Å; I319-Y323 WeakPolarHBondContact O-CB 3.1Å; I319-Y323 PolarHBondContact O-N 2.93Å; T321-Y323 PolarHBondContact O-N 2.98Å; Y323-M325 PolarHBondContact O-N 3.41Å; Y323-I327 HydrophobicContact CD2-CB 4.41Å; Y323-I327 HydrophobicContact CD2-CD1 3.77Å; Y323-I327 HydrophobicContact CE2-CD1 4.26Å; Y323-I327 HydrophobicContact CE2-CG2 4.34Å; Y323-I327 WeakPolarHBondContact O-CA 3.33Å; Y323-I327 VanDerWaalsContact O-CB 3.3Å; Y323-I327 WeakPolarHBondContact O-CB 3.23Å; Y323-I327 PolarHBondContact O-N 2.79Å; Y323-E328 HydrophobicContact CD1-CG 4.13Å; Y323-E328 HydrophobicContact CE1-CG 3.64Å; Y323-E328 WeakPolarHBondContact CE1-OE1 3.37Å; Y323-E328 PolarHBondContact O-N 3.18Å |
| 324 | E | 98 | Very high | 98.1 | Very high | 31 Ų | 31 | 27 Ų | 27 | 15% | 0.145 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -63.8 | -46.7 | -174.7 | -65.9 | -167.4 | -173.1 | 0 | 0 | 111.7 | S280 I319 E328 Y329 | S280-E324 PolarHBondContact OG-OE2 3.5Å; I319-E324 PolarHBondContact O-N 3.1Å; E324-E328 VanDerWaalsContact O-CB 3.28Å; E324-E328 WeakPolarHBondContact O-CB 3.42Å; E324-E328 PolarHBondContact O-N 3Å; E324-Y329 HydrophobicContact CB-CE2 4.35Å; E324-Y329 WeakPolarHBondContact O-CD2 3.49Å; E324-Y329 VanDerWaalsContact O-CG 3.28Å; E324-Y329 PolarHBondContact O-N 3.22Å |
| 325 | M | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -78.9 | -53.9 | -179.2 | -60.6 | 172.9 | 77.4 | 0 | 0 | 112.3 | L309 P311 E320 T321 Y323 Y329 C330 R344 | L309-M325 HydrophobicContact CB-CE 3.37Å; L309-M325 HydrophobicContact CD1-CB 4.35Å; L309-M325 HydrophobicContact CD1-CE 4.23Å; L309-M325 HydrophobicContact CG-CE 4.44Å; P311-M325 HydrophobicContact CB-CE 4.15Å; P311-M325 HydrophobicContact CB-SD 3.77Å; E320-M325 WeakPolarHBondContact O-CG 3.5Å; T321-M325 HydrophobicContact CG2-SD 4.14Å; T321-M325 VanDerWaalsContact O-CB 3.32Å; T321-M325 WeakPolarHBondContact O-CB 3.37Å; T321-M325 PolarHBondContact O-N 3.27Å; Y323-M325 PolarHBondContact O-N 3.41Å; M325-Y329 HydrophobicContact CB-CD2 4.32Å; M325-Y329 HydrophobicContact CG-CD2 3.99Å; M325-Y329 HydrophobicContact CG-CE2 4.34Å; M325-Y329 WeakPolarHBondContact O-CB 3.35Å; M325-Y329 PolarHBondContact O-N 3.01Å; M325-C330 WeakPolarHBondContact O-CB 3.38Å; M325-C330 PolarHBondContact O-N 3.46Å; M325-C330 PolarHBondContact O-SG 3.29Å; M325-R344 HydrophobicContact CB-CG 4.44Å; M325-R344 HydrophobicContact CE-CG 3.67Å; M325-R344 HydrophobicContact SD-CG 4.33Å |
| 326 | D | 98.2 | Very high | 98.1 | Very high | 50 Ų | 50 | 36.1 Ų | 36.1 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -71.8 | -41.6 | -172.9 | -65.6 | -25 | 0 | 0 | 0 | 113.3 | T321 C330 S331 R344 | T321-D326 PolarHBondContact O-N 2.7Å; T321-D326 VanDerWaalsContact O-N 3.13Å; D326-C330 WeakPolarHBondContact O-CB 3.36Å; D326-S331 PolarHBondContact O-OG 3.27Å; D326-R344 VanDerWaalsContact CG-NE 3.31Å; D326-R344 WeakPolarHBondContact OD1-CB 3.49Å; D326-R344 WeakPolarHBondContact OD1-CD 3.48Å; D326-R344 IonicContact OD1-CZ 3.7Å; D326-R344 IonicContact OD1-NE 2.91Å; D326-R344 PolarHBondContact OD1-NE 3.1Å; D326-R344 IonicContact OD1-NH2 3.29Å; D326-R344 IonicContact OD2-CZ 2.72Å; D326-R344 IonicContact OD2-NE 3.42Å; D326-R344 PolarHBondContact OD2-NE 2.66Å; D326-R344 IonicContact OD2-NH2 3.49Å; D326-R344 PolarHBondContact OD2-NH2 2.9Å |
| 327 | I | 97.9 | Very high | 98.1 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 22% | 0.221 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -90.9 | -55.1 | -176 | -58.2 | 174 | 0 | 0 | 0 | 110.3 | H85 I86 Y323 S331 E332 | H85-I327 HydrophobicContact CB-CD1 3.77Å; I86-I327 HydrophobicContact CG2-CD1 4.37Å; Y323-I327 HydrophobicContact CD2-CB 4.41Å; Y323-I327 HydrophobicContact CD2-CD1 3.77Å; Y323-I327 HydrophobicContact CE2-CD1 4.26Å; Y323-I327 HydrophobicContact CE2-CG2 4.34Å; Y323-I327 WeakPolarHBondContact O-CA 3.33Å; Y323-I327 VanDerWaalsContact O-CB 3.3Å; Y323-I327 WeakPolarHBondContact O-CB 3.23Å; Y323-I327 PolarHBondContact O-N 2.79Å; I327-S331 VanDerWaalsContact O-CB 3.24Å; I327-S331 WeakPolarHBondContact O-CB 3.38Å; I327-E332 PolarHBondContact O-N 3.14Å |
| 328 | E | 98.1 | Very high | 98.1 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -72.2 | -55.1 | -177.2 | -55.1 | -172.5 | 151.2 | 0 | 0 | 111.5 | Y323 E324 E332 V333 | Y323-E328 HydrophobicContact CD1-CG 4.13Å; Y323-E328 HydrophobicContact CE1-CG 3.64Å; Y323-E328 WeakPolarHBondContact CE1-OE1 3.37Å; Y323-E328 PolarHBondContact O-N 3.18Å; E324-E328 VanDerWaalsContact O-CB 3.28Å; E324-E328 WeakPolarHBondContact O-CB 3.42Å; E324-E328 PolarHBondContact O-N 3Å; E328-E332 WeakPolarHBondContact O-CB 3.16Å; E328-E332 PolarHBondContact O-N 2.92Å; E328-E332 VanDerWaalsContact O-N 3.13Å; E328-V333 WeakPolarHBondContact O-CG2 3.45Å; E328-V333 PolarHBondContact O-N 3.37Å |
| 329 | Y | 98.5 | Very high | 98.1 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -78.9 | -54.2 | -171.9 | -56.3 | -28.2 | 0 | 0 | 0 | 114.2 | Q279 T292 E293 L309 E324 M325 S331 V333 A334 | Q279-Y329 HydrophobicContact CB-CE2 3.88Å; Q279-Y329 WeakPolarHBondContact CB-OH 3.27Å; T292-Y329 HydrophobicContact CG2-CD2 3.78Å; T292-Y329 HydrophobicContact CG2-CE2 4.01Å; T292-Y329 HydrophobicContact CG2-CG 4.26Å; E293-Y329 HydrophobicContact CB-CE1 4.49Å; L309-Y329 HydrophobicContact CD1-CD2 4.19Å; L309-Y329 HydrophobicContact CD1-CG 4.39Å; E324-Y329 HydrophobicContact CB-CE2 4.35Å; E324-Y329 WeakPolarHBondContact O-CD2 3.49Å; E324-Y329 VanDerWaalsContact O-CG 3.28Å; E324-Y329 PolarHBondContact O-N 3.22Å; M325-Y329 HydrophobicContact CB-CD2 4.32Å; M325-Y329 HydrophobicContact CG-CD2 3.99Å; M325-Y329 HydrophobicContact CG-CE2 4.34Å; M325-Y329 WeakPolarHBondContact O-CB 3.35Å; M325-Y329 PolarHBondContact O-N 3.01Å; Y329-S331 VanDerWaalsContact C-N 3.28Å; Y329-S331 PolarHBondContact O-N 3.04Å; Y329-V333 HydrophobicContact CD1-CG2 4.1Å; Y329-A334 WeakPolarHBondContact O-CB 3.21Å; Y329-A334 PolarHBondContact O-N 3.45Å |
| 330 | C | 98.4 | Very high | 98.1 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -68.3 | -27.2 | -176.6 | -67.1 | 0 | 0 | 0 | 0 | 112.5 | M325 D326 A334 V342 | M325-C330 WeakPolarHBondContact O-CB 3.38Å; M325-C330 PolarHBondContact O-N 3.46Å; M325-C330 PolarHBondContact O-SG 3.29Å; D326-C330 WeakPolarHBondContact O-CB 3.36Å; C330-A334 VanDerWaalsContact O-CB 3.25Å; C330-A334 WeakPolarHBondContact O-CB 3.39Å; C330-V342 HydrophobicContact CB-CG1 4.42Å; C330-V342 WeakPolarHBondContact CB-O 3.33Å |
| 331 | S | 97.2 | Very high | 98.1 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 49% | 0.49 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -105.9 | -70.6 | -179.7 | -46.8 | 0 | 0 | 0 | 0 | 112.3 | D326 I327 Y329 A335 | D326-S331 PolarHBondContact O-OG 3.27Å; I327-S331 VanDerWaalsContact O-CB 3.24Å; I327-S331 WeakPolarHBondContact O-CB 3.38Å; Y329-S331 VanDerWaalsContact C-N 3.28Å; Y329-S331 PolarHBondContact O-N 3.04Å; S331-A335 WeakPolarHBondContact O-CB 3.24Å; S331-A335 PolarHBondContact O-N 3.5Å |
| 332 | E | 98 | Very high | 98.1 | Very high | 92 Ų | 92 | 41.9 Ų | 41.9 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -70.2 | -48.4 | -168.9 | -62.2 | -174.4 | -168.4 | 0 | 0 | 113.8 | I327 E328 K336 | I327-E332 PolarHBondContact O-N 3.14Å; E328-E332 WeakPolarHBondContact O-CB 3.16Å; E328-E332 PolarHBondContact O-N 2.92Å; E328-E332 VanDerWaalsContact O-N 3.13Å; E332-K336 WeakPolarHBondContact O-CD 3.22Å; E332-K336 VanDerWaalsContact O-CG 3.28Å; E332-K336 WeakPolarHBondContact O-CG 3.22Å; E332-K336 PolarHBondContact O-N 3.22Å; E332-K336 VanDerWaalsContact O-N 3.16Å; E332-K336 IonicContact OE2-NZ 3.91Å |
| 333 | V | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -71.7 | -42.9 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | E293 L296 Y297 E328 Y329 A335 K336 A337 | E293-V333 HydrophobicContact CB-CG1 4.34Å; E293-V333 HydrophobicContact CG-CG1 3.83Å; E293-V333 HydrophobicContact CG-CG2 4.08Å; L296-V333 HydrophobicContact CB-CG1 4.19Å; L296-V333 HydrophobicContact CD1-CB 4.37Å; L296-V333 HydrophobicContact CD1-CG1 3.74Å; Y297-V333 HydrophobicContact CE2-CG1 4.05Å; E328-V333 WeakPolarHBondContact O-CG2 3.45Å; E328-V333 PolarHBondContact O-N 3.37Å; Y329-V333 HydrophobicContact CD1-CG2 4.1Å; V333-A335 VanDerWaalsContact C-N 3.31Å; V333-A335 PolarHBondContact O-N 2.69Å; V333-K336 PolarHBondContact O-N 2.82Å; V333-A337 WeakPolarHBondContact O-CB 3.33Å; V333-A337 PolarHBondContact O-N 2.9Å |
| 334 | A | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -52.9 | -49.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y329 C330 A337 G338 M339 V342 | Y329-A334 WeakPolarHBondContact O-CB 3.21Å; Y329-A334 PolarHBondContact O-N 3.45Å; C330-A334 VanDerWaalsContact O-CB 3.25Å; C330-A334 WeakPolarHBondContact O-CB 3.39Å; A334-A337 PolarHBondContact O-N 2.83Å; A334-G338 PolarHBondContact O-N 3.4Å; A334-G338 VanDerWaalsContact O-N 3.14Å; A334-M339 HydrophobicContact CB-CB 4.21Å; A334-M339 PolarHBondContact O-N 2.88Å; A334-V342 HydrophobicContact CB-CB 3.76Å; A334-V342 HydrophobicContact CB-CG2 3.45Å; A334-V342 VanDerWaalsContact CB-CG2 3.45Å |
| 335 | A | 98.1 | Very high | 98.2 | Very high | 77 Ų | 77 | 42 Ų | 42 | 64% | 0.636 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.7 | -47.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S331 V333 A337 G338 | S331-A335 WeakPolarHBondContact O-CB 3.24Å; S331-A335 PolarHBondContact O-N 3.5Å; V333-A335 VanDerWaalsContact C-N 3.31Å; V333-A335 PolarHBondContact O-N 2.69Å; A335-A337 VanDerWaalsContact C-N 3.31Å; A335-A337 PolarHBondContact O-N 3.47Å; A335-G338 PolarHBondContact O-N 3.4Å |
| 336 | K | 98.4 | Very high | 98.1 | Very high | 138 Ų | 138 | 47.9 Ų | 47.9 | 60% | 0.6 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.9 | -33.8 | 178.4 | -70.7 | 168.6 | -174.3 | 161.5 | 0 | 112.9 | Y297 E332 V333 G338 | Y297-K336 HydrophobicContact CE1-CB 4.3Å; Y297-K336 VanDerWaalsContact OH-CB 3.25Å; Y297-K336 WeakPolarHBondContact OH-CB 3.28Å; E332-K336 WeakPolarHBondContact O-CD 3.22Å; E332-K336 VanDerWaalsContact O-CG 3.28Å; E332-K336 WeakPolarHBondContact O-CG 3.22Å; E332-K336 PolarHBondContact O-N 3.22Å; E332-K336 VanDerWaalsContact O-N 3.16Å; E332-K336 IonicContact OE2-NZ 3.91Å; V333-K336 PolarHBondContact O-N 2.82Å; K336-G338 VanDerWaalsContact C-N 3.28Å |
| 337 | A | 98.1 | Very high | 98.1 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.8 | -13.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L296 Y297 S300 V333 A334 A335 M339 | L296-A337 HydrophobicContact CB-CB 4.49Å; Y297-A337 HydrophobicContact CD1-CB 3.56Å; Y297-A337 VanDerWaalsContact CE1-CA 3.46Å; Y297-A337 HydrophobicContact CE1-CB 3.78Å; Y297-A337 HydrophobicContact CG-CB 3.97Å; S300-A337 WeakPolarHBondContact CB-O 3.23Å; S300-A337 PolarHBondContact OG-O 2.98Å; V333-A337 WeakPolarHBondContact O-CB 3.33Å; V333-A337 PolarHBondContact O-N 2.9Å; A334-A337 PolarHBondContact O-N 2.83Å; A335-A337 VanDerWaalsContact C-N 3.31Å; A335-A337 PolarHBondContact O-N 3.47Å; A337-M339 HydrophobicContact CB-CG 4.13Å |
| 338 | G | 97.9 | Very high | 98.2 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 29.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R305 A334 A335 K336 | R305-G338 WeakPolarHBondContact CD-O 3.32Å; A334-G338 PolarHBondContact O-N 3.4Å; A334-G338 VanDerWaalsContact O-N 3.14Å; A335-G338 PolarHBondContact O-N 3.4Å; K336-G338 VanDerWaalsContact C-N 3.28Å |
| 339 | M | 98.3 | Very high | 98.2 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | trans | -74.1 | 144.2 | 169.6 | -61 | -64.8 | -71.9 | 0 | 0 | 109.5 | L296 A307 A334 A337 V342 | L296-M339 HydrophobicContact CD2-CE 4.27Å; A307-M339 HydrophobicContact CB-CE 3.79Å; A334-M339 HydrophobicContact CB-CB 4.21Å; A334-M339 PolarHBondContact O-N 2.88Å; A337-M339 HydrophobicContact CB-CG 4.13Å; M339-V342 HydrophobicContact CB-CG2 3.6Å; M339-V342 HydrophobicContact CE-CG2 4.06Å; M339-V342 HydrophobicContact CG-CG2 3.77Å | ||
| 340 | V | 97.6 | Very high | 98.1 | Very high | 96 Ų | 96 | 42.9 Ų | 42.9 | 58% | 0.582 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -80.7 | -42.5 | 173.9 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | R305 | R305-V340 HydrophobicContact CB-CB 4.08Å; R305-V340 HydrophobicContact CB-CG2 3.82Å; R305-V340 HydrophobicContact CG-CG2 4.21Å; R305-V340 PolarHBondContact O-N 3.18Å |
| 341 | S | 97.7 | Very high | 98.1 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 128.4 | 178.9 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | R305 H306 A307 | R305-S341 PolarHBondContact O-N 3.31Å; R305-S341 VanDerWaalsContact O-N 3.09Å; H306-S341 CarbonylContact C-O 3.57Å; H306-S341 VanDerWaalsContact CA-O 3.29Å; H306-S341 WeakPolarHBondContact CA-O 3.45Å; A307-S341 PolarHBondContact N-O 3.42Å |
| 342 | V | 98.6 | Very high | 98 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117 | 166.8 | -177.4 | 0 | 0 | 0 | 0 | 106.7 | L296 A307 L309 C330 A334 M339 | L296-V342 HydrophobicContact CD1-CG1 4.44Å; L296-V342 HydrophobicContact CD2-CG1 4.1Å; L296-V342 HydrophobicContact CD2-CG2 3.87Å; A307-V342 HydrophobicContact CB-CG1 4.48Å; A307-V342 HydrophobicContact CB-CG2 4.34Å; A307-V342 WeakPolarHBondContact O-CA 3.48Å; L309-V342 HydrophobicContact CD1-CG1 3.98Å; L309-V342 HydrophobicContact CD2-CG1 4.06Å; L309-V342 HydrophobicContact CG-CG1 3.79Å; C330-V342 HydrophobicContact CB-CG1 4.42Å; C330-V342 WeakPolarHBondContact CB-O 3.33Å; A334-V342 HydrophobicContact CB-CB 3.76Å; A334-V342 HydrophobicContact CB-CG2 3.45Å; A334-V342 VanDerWaalsContact CB-CG2 3.45Å; M339-V342 HydrophobicContact CB-CG2 3.6Å; M339-V342 HydrophobicContact CE-CG2 4.06Å; M339-V342 HydrophobicContact CG-CG2 3.77Å |
| 343 | R | 98.4 | Very high | 98 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 163.4 | -177.7 | -56.6 | 177.7 | 67.8 | 157.4 | 1.1 | 109 | E220 S223 I224 A307 L308 L309 | E220-R343 HydrophobicContact CG-CB 4.5Å; E220-R343 IonicContact OE1-CZ 3.07Å; E220-R343 IonicContact OE1-NE 2.69Å; E220-R343 PolarHBondContact OE1-NE 3.47Å; E220-R343 IonicContact OE1-NH2 2.73Å; E220-R343 PolarHBondContact OE1-NH2 2.83Å; S223-R343 PolarHBondContact O-NH1 3.35Å; S223-R343 VanDerWaalsContact OG-CZ 3.29Å; S223-R343 PolarHBondContact OG-NH1 2.8Å; S223-R343 PolarHBondContact OG-NH2 3.28Å; I224-R343 VanDerWaalsContact CG1-NH1 3.34Å; A307-R343 PolarHBondContact O-N 3.07Å; L308-R343 CarbonylContact C-O 3.56Å; L308-R343 WeakPolarHBondContact CA-O 3.43Å; L308-R343 HydrophobicContact CD1-CB 4.11Å; L309-R343 PolarHBondContact N-O 3.39Å |
| 344 | R | 98.5 | Very high | 97.9 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 12% | 0.117 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.8 | 170.4 | -178.8 | -176.1 | 64.5 | 95.3 | -8.5 | 109.8 | L309 D317 M325 D326 S347 | L309-R344 HydrophobicContact CB-CB 4.41Å; L309-R344 HydrophobicContact CB-CG 4.47Å; L309-R344 CarbonylContact O-C 3.59Å; L309-R344 VanDerWaalsContact O-CA 3.31Å; L309-R344 WeakPolarHBondContact O-CA 3.42Å; D317-R344 IonicContact OD1-CZ 3.64Å; D317-R344 IonicContact OD1-NH1 3.8Å; D317-R344 PolarHBondContact OD1-NH1 3.29Å; D317-R344 IonicContact OD1-NH2 2.54Å; M325-R344 HydrophobicContact CB-CG 4.44Å; M325-R344 HydrophobicContact CE-CG 3.67Å; M325-R344 HydrophobicContact SD-CG 4.33Å; D326-R344 VanDerWaalsContact CG-NE 3.31Å; D326-R344 WeakPolarHBondContact OD1-CB 3.49Å; D326-R344 WeakPolarHBondContact OD1-CD 3.48Å; D326-R344 IonicContact OD1-CZ 3.7Å; D326-R344 IonicContact OD1-NE 2.91Å; D326-R344 PolarHBondContact OD1-NE 3.1Å; D326-R344 IonicContact OD1-NH2 3.29Å; D326-R344 IonicContact OD2-CZ 2.72Å; D326-R344 IonicContact OD2-NE 3.42Å; D326-R344 PolarHBondContact OD2-NE 2.66Å; D326-R344 IonicContact OD2-NH2 3.49Å; D326-R344 PolarHBondContact OD2-NH2 2.9Å; R344-S347 PolarHBondContact NH1-OG 2.96Å; R344-S347 VanDerWaalsContact NH1-OG 3.16Å |
| 345 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 141.4 | 171 | 67 | 0 | 0 | 0 | 0 | 110 | L309 P311 | L309-S345 PolarHBondContact O-N 3.33Å; P311-S345 WeakPolarHBondContact CD-OG 3.22Å |
| 346 | Q | 97.9 | Very high | 97.8 | Very high | 124 Ų | 124 | 42 Ų | 42 | 58% | 0.579 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -54.4 | 143.4 | 176.1 | -63.8 | -176.2 | 7.8 | 0 | 0 | 112.1 | K216 | K216-Q346 HydrophobicContact CD-CB 4.35Š|
| 347 | S | 98.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 162.2 | 170.4 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | D317 R344 | D317-S347 VanDerWaalsContact OD1-CB 3.3Å; D317-S347 WeakPolarHBondContact OD1-CB 3.3Å; D317-S347 PolarHBondContact OD1-OG 3.42Å; R344-S347 PolarHBondContact NH1-OG 2.96Å; R344-S347 VanDerWaalsContact NH1-OG 3.16Å |
| 348 | L | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -69.4 | -37.7 | -175.3 | -51.1 | -173.5 | 0 | 0 | 0 | 112.1 | L209 F213 K216 T315 G350 D351 F354 | L209-L348 HydrophobicContact CD1-CD1 3.78Å; F213-L348 HydrophobicContact CD1-CD2 3.99Å; F213-L348 HydrophobicContact CD2-CD1 4.34Å; F213-L348 HydrophobicContact CE1-CD2 4.18Å; F213-L348 HydrophobicContact CE1-CG 4.3Å; F213-L348 HydrophobicContact CE2-CD1 4.16Å; F213-L348 HydrophobicContact CG-CD2 4.25Å; F213-L348 HydrophobicContact CZ-CD1 4.26Å; F213-L348 HydrophobicContact CZ-CG 4.37Å; K216-L348 HydrophobicContact CG-CD2 4.14Å; T315-L348 WeakPolarHBondContact O-CB 3.26Å; T315-L348 PolarHBondContact O-N 3.26Å; L348-G350 PolarHBondContact O-N 2.85Å; L348-D351 WeakPolarHBondContact O-CB 3.42Å; L348-D351 PolarHBondContact O-N 3.18Å; L348-F354 HydrophobicContact CB-CD1 4.04Å; L348-F354 HydrophobicContact CB-CE1 4.32Å; L348-F354 HydrophobicContact CB-CG 4.21Å; L348-F354 HydrophobicContact CD1-CD1 4.32Å; L348-F354 HydrophobicContact CD1-CD2 3.65Å; L348-F354 HydrophobicContact CD1-CE1 4.23Å; L348-F354 HydrophobicContact CD1-CE2 3.54Å; L348-F354 HydrophobicContact CD1-CG 4.03Å; L348-F354 HydrophobicContact CD1-CZ 3.83Å | ||
| 349 | N | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 33 Ų | 33 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | -123 | 169.4 | -67.7 | -23.5 | 0 | 0 | 0 | 112.5 | W95 Q99 T315 L316 D317 D351 | W95-N349 HydrophobicContact CD2-CB 3.73Å; W95-N349 HydrophobicContact CE3-CB 3.76Å; W95-N349 HydrophobicContact CG-CB 4.31Å; W95-N349 HydrophobicContact CH2-CB 4.12Å; W95-N349 HydrophobicContact CZ2-CB 4.07Å; W95-N349 HydrophobicContact CZ3-CB 3.96Å; Q99-N349 WeakPolarHBondContact CG-O 3.49Å; Q99-N349 PolarHBondContact NE2-O 3.46Å; T315-N349 PolarHBondContact O-N 2.89Å; L316-N349 WeakPolarHBondContact CA-OD1 3.25Å; D317-N349 PolarHBondContact N-OD1 3.19Å; D317-N349 PolarHBondContact OD2-ND2 3.01Å; N349-D351 VanDerWaalsContact C-N 3.3Å; N349-D351 PolarHBondContact O-N 3Å |
| 350 | G | 96.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 26% | 0.258 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 25.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L348 P352 | L348-G350 PolarHBondContact O-N 2.85Å; G350-P352 VanDerWaalsContact O-CD 3.25Å; G350-P352 WeakPolarHBondContact O-CD 3.47Å |
| 351 | D | 97.8 | Very high | 97.9 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | trans | -57.5 | 117.9 | 179.8 | -175.5 | -90.2 | 0 | 0 | 0 | 111.3 | S212 K216 L348 N349 A353 F354 G355 | S212-D351 PolarHBondContact OG-OD1 2.87Å; K216-D351 VanDerWaalsContact CE-OD2 3.29Å; K216-D351 WeakPolarHBondContact CE-OD2 3.34Å; K216-D351 IonicContact NZ-OD2 3.43Å; K216-D351 PolarHBondContact NZ-OD2 3.27Å; L348-D351 WeakPolarHBondContact O-CB 3.42Å; L348-D351 PolarHBondContact O-N 3.18Å; N349-D351 VanDerWaalsContact C-N 3.3Å; N349-D351 PolarHBondContact O-N 3Å; D351-A353 PolarHBondContact O-N 2.93Å; D351-A353 PolarHBondContact OD1-N 2.99Å; D351-F354 HydrophobicContact CB-CB 3.83Å; D351-F354 WeakPolarHBondContact O-CB 3.42Å; D351-F354 PolarHBondContact O-N 2.85Å; D351-F354 WeakPolarHBondContact OD1-CB 3.23Å; D351-F354 PolarHBondContact OD1-N 2.88Å; D351-G355 PolarHBondContact O-N 3.5Å | ||
| 352 | P | 96.9 | Very high | 97.9 | Very high | 82 Ų | 82 | 30.8 Ų | 30.8 | 53% | 0.532 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.8 | -43.6 | -174.7 | -28.9 | 37.5 | 0 | 0 | 0 | 114.8 | M102 G350 F354 G355 Q356 | M102-P352 VanDerWaalsContact CE-CA 3.41Å; M102-P352 HydrophobicContact CE-CB 4.31Å; G350-P352 VanDerWaalsContact O-CD 3.25Å; G350-P352 WeakPolarHBondContact O-CD 3.47Å; P352-F354 VanDerWaalsContact C-N 3.31Å; P352-F354 PolarHBondContact O-N 2.82Å; P352-G355 PolarHBondContact O-N 2.86Å; P352-Q356 WeakPolarHBondContact O-CG 3.28Å; P352-Q356 PolarHBondContact O-N 2.79Å |
| 353 | A | 96.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 47% | 0.471 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.5 | -38.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D351 G357 | D351-A353 PolarHBondContact O-N 2.93Å; D351-A353 PolarHBondContact OD1-N 2.99Å; A353-G357 PolarHBondContact O-N 3.18Å |
| 354 | F | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -49.6 | 174.8 | -174 | -111.2 | 0 | 0 | 0 | 112.4 | Q99 W203 L209 T315 L348 D351 P352 Q356 G357 L358 | Q99-F354 VanDerWaalsContact NE2-CE1 3.26Å; W203-F354 HydrophobicContact CH2-CE2 4.22Å; W203-F354 AromaticContact CH2-CZ 3.76Å; W203-F354 HydrophobicContact CH2-CZ 3.76Å; W203-F354 AromaticContact CZ3-CE2 3.93Å; W203-F354 HydrophobicContact CZ3-CE2 3.93Å; W203-F354 AromaticContact CZ3-CZ 3.96Å; W203-F354 HydrophobicContact CZ3-CZ 3.96Å; L209-F354 HydrophobicContact CB-CE2 4.23Å; L209-F354 HydrophobicContact CD1-CE2 3.79Å; L209-F354 HydrophobicContact CD1-CZ 4.31Å; T315-F354 HydrophobicContact CG2-CE1 4.31Å; T315-F354 HydrophobicContact CG2-CZ 3.73Å; L348-F354 HydrophobicContact CB-CD1 4.04Å; L348-F354 HydrophobicContact CB-CE1 4.32Å; L348-F354 HydrophobicContact CB-CG 4.21Å; L348-F354 HydrophobicContact CD1-CD1 4.32Å; L348-F354 HydrophobicContact CD1-CD2 3.65Å; L348-F354 HydrophobicContact CD1-CE1 4.23Å; L348-F354 HydrophobicContact CD1-CE2 3.54Å; L348-F354 HydrophobicContact CD1-CG 4.03Å; L348-F354 HydrophobicContact CD1-CZ 3.83Å; D351-F354 HydrophobicContact CB-CB 3.83Å; D351-F354 WeakPolarHBondContact O-CB 3.42Å; D351-F354 PolarHBondContact O-N 2.85Å; D351-F354 WeakPolarHBondContact OD1-CB 3.23Å; D351-F354 PolarHBondContact OD1-N 2.88Å; P352-F354 VanDerWaalsContact C-N 3.31Å; P352-F354 PolarHBondContact O-N 2.82Å; F354-Q356 VanDerWaalsContact C-N 3.33Å; F354-Q356 PolarHBondContact O-N 2.77Å; F354-G357 WeakPolarHBondContact O-CA 3.14Å; F354-G357 PolarHBondContact O-N 3.26Å; F354-G357 VanDerWaalsContact O-N 3.09Å; F354-L358 HydrophobicContact CD1-CD1 4.25Å; F354-L358 HydrophobicContact CD1-CG 4.46Å; F354-L358 HydrophobicContact CE1-CD1 3.86Å; F354-L358 HydrophobicContact CE1-CD2 4.17Å; F354-L358 HydrophobicContact CE1-CG 4.13Å; F354-L358 HydrophobicContact CE2-CD2 4.42Å; F354-L358 HydrophobicContact CZ-CD1 4.46Å; F354-L358 HydrophobicContact CZ-CD2 3.93Å; F354-L358 HydrophobicContact CZ-CG 4.33Å; F354-L358 PolarHBondContact O-N 2.86Å |
| 355 | G | 96.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -37.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D351 P352 L358 | D351-G355 PolarHBondContact O-N 3.5Å; P352-G355 PolarHBondContact O-N 2.86Å; G355-L358 PolarHBondContact O-N 3.44Å |
| 356 | Q | 96.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 29.7 Ų | 29.7 | 45% | 0.453 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 171 | -72.5 | 171.9 | -3.2 | 0 | 0 | 111.3 | P352 F354 L358 A359 E360 | P352-Q356 WeakPolarHBondContact O-CG 3.28Å; P352-Q356 PolarHBondContact O-N 2.79Å; F354-Q356 VanDerWaalsContact C-N 3.33Å; F354-Q356 PolarHBondContact O-N 2.77Å; Q356-L358 VanDerWaalsContact C-N 3.29Å; Q356-L358 PolarHBondContact O-N 2.82Å; Q356-A359 WeakPolarHBondContact O-CB 3.34Å; Q356-A359 PolarHBondContact O-N 3.43Å; Q356-E360 PolarHBondContact O-N 3.28Å |
| 357 | G | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.6 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F206 A353 F354 A359 E360 L361 | F206-G357 WeakPolarHBondContact CE1-O 3.08Å; F206-G357 WeakPolarHBondContact CZ-O 3.28Å; A353-G357 PolarHBondContact O-N 3.18Å; F354-G357 WeakPolarHBondContact O-CA 3.14Å; F354-G357 PolarHBondContact O-N 3.26Å; F354-G357 VanDerWaalsContact O-N 3.09Å; G357-A359 PolarHBondContact O-N 3.27Å; G357-E360 WeakPolarHBondContact O-CB 3.36Å; G357-E360 PolarHBondContact O-N 3.25Å; G357-E360 VanDerWaalsContact O-N 3.11Å; G357-L361 PolarHBondContact O-N 3.29Å |
| 358 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.7 | -37.1 | 176.3 | -66.3 | 176.4 | 0 | 0 | 0 | 112.3 | Q99 M103 F148 W203 F354 G355 Q356 L361 V362 | Q99-L358 HydrophobicContact CB-CD1 4.18Å; Q99-L358 HydrophobicContact CG-CD1 4.48Å; M103-L358 HydrophobicContact CB-CB 4.3Å; M103-L358 HydrophobicContact CG-CB 4.06Å; M103-L358 HydrophobicContact SD-CB 4.13Å; F148-L358 HydrophobicContact CE1-CB 4.43Å; F148-L358 HydrophobicContact CE1-CD2 4.16Å; F148-L358 HydrophobicContact CZ-CD2 3.76Å; W203-L358 HydrophobicContact CH2-CD2 4.11Å; W203-L358 HydrophobicContact CZ3-CD2 4.32Å; F354-L358 HydrophobicContact CD1-CD1 4.25Å; F354-L358 HydrophobicContact CD1-CG 4.46Å; F354-L358 HydrophobicContact CE1-CD1 3.86Å; F354-L358 HydrophobicContact CE1-CD2 4.17Å; F354-L358 HydrophobicContact CE1-CG 4.13Å; F354-L358 HydrophobicContact CE2-CD2 4.42Å; F354-L358 HydrophobicContact CZ-CD1 4.46Å; F354-L358 HydrophobicContact CZ-CD2 3.93Å; F354-L358 HydrophobicContact CZ-CG 4.33Å; F354-L358 PolarHBondContact O-N 2.86Å; G355-L358 PolarHBondContact O-N 3.44Å; Q356-L358 VanDerWaalsContact C-N 3.29Å; Q356-L358 PolarHBondContact O-N 2.82Å; L358-L361 PolarHBondContact O-N 2.94Å; L358-V362 WeakPolarHBondContact O-CG2 3.41Å; L358-V362 PolarHBondContact O-N 3.27Å; L358-V362 VanDerWaalsContact O-N 3.09Å |
| 359 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.1 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M103 H106 L107 I110 Q356 G357 L361 V362 L363 | M103-A359 HydrophobicContact CG-CB 4.03Å; M103-A359 WeakPolarHBondContact O-CB 3.37Å; H106-A359 HydrophobicContact CB-CB 3.89Å; L107-A359 HydrophobicContact CB-CB 3.89Å; I110-A359 HydrophobicContact CD1-CB 4.39Å; Q356-A359 WeakPolarHBondContact O-CB 3.34Å; Q356-A359 PolarHBondContact O-N 3.43Å; G357-A359 PolarHBondContact O-N 3.27Å; A359-L361 VanDerWaalsContact C-N 3.33Å; A359-L361 PolarHBondContact O-N 3.25Å; A359-V362 PolarHBondContact O-N 3.23Å; A359-L363 WeakPolarHBondContact O-CB 3.2Å; A359-L363 PolarHBondContact O-N 3.4Å |
| 360 | E | 98.2 | Very high | 97.6 | Very high | 90 Ų | 90 | 37.8 Ų | 37.8 | 42% | 0.421 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 173.8 | -64.6 | 177.6 | -178.9 | 0 | 0 | 111.6 | I110 Q356 G357 V362 L363 D364 | I110-E360 HydrophobicContact CD1-CG 4.34Å; Q356-E360 PolarHBondContact O-N 3.28Å; G357-E360 WeakPolarHBondContact O-CB 3.36Å; G357-E360 PolarHBondContact O-N 3.25Å; G357-E360 VanDerWaalsContact O-N 3.11Å; E360-V362 VanDerWaalsContact C-N 3.32Å; E360-V362 PolarHBondContact O-N 2.89Å; E360-L363 PolarHBondContact O-N 3.29Å; E360-D364 WeakPolarHBondContact O-CB 3.43Å; E360-D364 PolarHBondContact O-N 2.65Å |
| 361 | L | 98.5 | Very high | 97.6 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.7 | 179.6 | 58.5 | 0 | 0 | 0 | 112.1 | F148 I200 W203 F206 G357 L358 A359 H365 | F148-L361 HydrophobicContact CE2-CD2 4.04Å; F148-L361 HydrophobicContact CZ-CD2 3.77Å; F148-L361 HydrophobicContact CZ-CG 4.47Å; I200-L361 HydrophobicContact CG2-CD2 4.42Å; W203-L361 HydrophobicContact CB-CD1 4.42Å; W203-L361 HydrophobicContact CB-CD2 3.74Å; W203-L361 HydrophobicContact CD2-CD2 3.86Å; W203-L361 HydrophobicContact CE3-CD2 4.07Å; W203-L361 HydrophobicContact CG-CD2 3.72Å; F206-L361 HydrophobicContact CD1-CD2 4.13Å; F206-L361 HydrophobicContact CD2-CB 4.46Å; F206-L361 HydrophobicContact CD2-CD1 4.14Å; F206-L361 HydrophobicContact CE1-CB 4.07Å; F206-L361 HydrophobicContact CE1-CD2 4.31Å; F206-L361 HydrophobicContact CE2-CB 3.92Å; F206-L361 HydrophobicContact CE2-CD1 4.31Å; F206-L361 HydrophobicContact CG-CD2 4.29Å; F206-L361 HydrophobicContact CZ-CB 3.72Å; G357-L361 PolarHBondContact O-N 3.29Å; L358-L361 PolarHBondContact O-N 2.94Å; A359-L361 VanDerWaalsContact C-N 3.33Å; A359-L361 PolarHBondContact O-N 3.25Å; L361-H365 PolarHBondContact O-N 2.91Å; L361-H365 VanDerWaalsContact O-N 3.11Å |
| 362 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.4 | -46.3 | 174.4 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | I31 M103 L107 F148 I200 L358 A359 E360 D364 H365 L366 | I31-V362 HydrophobicContact CD1-CG1 3.59Å; I31-V362 HydrophobicContact CG1-CG1 4.35Å; I31-V362 HydrophobicContact CG2-CG2 4.26Å; M103-V362 HydrophobicContact SD-CG2 3.93Å; L107-V362 HydrophobicContact CD1-CG1 4.32Å; L107-V362 HydrophobicContact CD2-CB 4.27Å; L107-V362 HydrophobicContact CD2-CG1 3.61Å; F148-V362 HydrophobicContact CD1-CG2 3.75Å; F148-V362 HydrophobicContact CE1-CG2 3.72Å; I200-V362 HydrophobicContact CD1-CG2 4Å; L358-V362 WeakPolarHBondContact O-CG2 3.41Å; L358-V362 PolarHBondContact O-N 3.27Å; L358-V362 VanDerWaalsContact O-N 3.09Å; A359-V362 PolarHBondContact O-N 3.23Å; E360-V362 VanDerWaalsContact C-N 3.32Å; E360-V362 PolarHBondContact O-N 2.89Å; V362-D364 VanDerWaalsContact C-N 3.33Å; V362-D364 PolarHBondContact O-N 3.29Å; V362-H365 CarbonylContact O-C 3.56Å; V362-H365 WeakPolarHBondContact O-CA 3.11Å; V362-H365 WeakPolarHBondContact O-CB 2.98Å; V362-H365 PolarHBondContact O-N 3.29Å; V362-L366 HydrophobicContact CG1-CD1 4.09Å; V362-L366 HydrophobicContact CG1-CG 4.25Å; V362-L366 WeakPolarHBondContact O-CG 3.33Å; V362-L366 PolarHBondContact O-N 2.76Å |
| 363 | L | 98.2 | Very high | 97.6 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 177.6 | 178.5 | 55.1 | 0 | 0 | 0 | 111.8 | L107 I110 S111 A359 E360 H365 L366 R367 | L107-L363 HydrophobicContact CD1-CB 4.07Å; I110-L363 HydrophobicContact CB-CD2 4.35Å; I110-L363 HydrophobicContact CD1-CB 4.32Å; I110-L363 HydrophobicContact CD1-CD2 3.67Å; I110-L363 HydrophobicContact CG1-CD2 3.87Å; S111-L363 WeakPolarHBondContact OG-CD1 3.39Å; A359-L363 WeakPolarHBondContact O-CB 3.2Å; A359-L363 PolarHBondContact O-N 3.4Å; E360-L363 PolarHBondContact O-N 3.29Å; L363-H365 VanDerWaalsContact C-N 3.27Å; L363-H365 PolarHBondContact O-N 2.98Å; L363-L366 PolarHBondContact O-N 2.95Å; L363-R367 HydrophobicContact CD1-CG 4.1Å; L363-R367 WeakPolarHBondContact O-CB 3.49Å; L363-R367 WeakPolarHBondContact O-CG 3.47Å; L363-R367 PolarHBondContact O-N 2.93Å |
| 364 | D | 97.9 | Very high | 97.6 | Very high | 76 Ų | 76 | 40.4 Ų | 40.4 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 174.7 | -84 | -3.8 | 0 | 0 | 0 | 111.6 | E360 V362 R368 | E360-D364 WeakPolarHBondContact O-CB 3.43Å; E360-D364 PolarHBondContact O-N 2.65Å; V362-D364 VanDerWaalsContact C-N 3.33Å; V362-D364 PolarHBondContact O-N 3.29Å; D364-R368 WeakPolarHBondContact O-CB 3.13Å; D364-R368 VanDerWaalsContact O-CG 3.28Å; D364-R368 WeakPolarHBondContact O-CG 3.4Å; D364-R368 PolarHBondContact O-N 3.48Å |
| 365 | H | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | 174.9 | -179 | 87.9 | 0 | 0 | 0 | 112.5 | S198 F199 I200 L361 V362 L363 R367 R368 D370 | S198-H365 VanDerWaalsContact CB-NE2 3.27Å; S198-H365 WeakPolarHBondContact CB-NE2 3.06Å; S198-H365 PolarHBondContact OG-NE2 3.28Å; F199-H365 PolarHBondContact O-CE1 2.98Å; I200-H365 HydrophobicContact CD1-CB 3.77Å; I200-H365 HydrophobicContact CG1-CB 3.81Å; L361-H365 PolarHBondContact O-N 2.91Å; L361-H365 VanDerWaalsContact O-N 3.11Å; V362-H365 CarbonylContact O-C 3.56Å; V362-H365 WeakPolarHBondContact O-CA 3.11Å; V362-H365 WeakPolarHBondContact O-CB 2.98Å; V362-H365 PolarHBondContact O-N 3.29Å; L363-H365 VanDerWaalsContact C-N 3.27Å; L363-H365 PolarHBondContact O-N 2.98Å; H365-R367 VanDerWaalsContact C-N 3.34Å; H365-R367 PolarHBondContact O-N 2.95Å; H365-R368 VanDerWaalsContact CA-NH2 3.27Å; H365-R368 PolarHBondContact O-N 3.08Å; H365-D370 PolarHBondContact CE1-O 3.33Å |
| 366 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.9 | -67.9 | 176.2 | 0 | 0 | 0 | 110.9 | T29 R144 V146 V362 L363 G369 W405 T406 L410 | T29-L366 HydrophobicContact CG2-CD1 4.24Å; T29-L366 HydrophobicContact CG2-CD2 3.96Å; R144-L366 PolarHBondContact NH1-O 2.95Å; V146-L366 HydrophobicContact CG2-CD2 3.74Å; V362-L366 HydrophobicContact CG1-CD1 4.09Å; V362-L366 HydrophobicContact CG1-CG 4.25Å; V362-L366 WeakPolarHBondContact O-CG 3.33Å; V362-L366 PolarHBondContact O-N 2.76Å; L363-L366 PolarHBondContact O-N 2.95Å; L366-G369 PolarHBondContact O-N 2.88Å; L366-W405 HydrophobicContact CD2-CH2 4.42Å; L366-W405 HydrophobicContact CD2-CZ3 4.27Å; L366-T406 VanDerWaalsContact O-CG2 3.24Å; L366-T406 WeakPolarHBondContact O-CG2 3.35Å; L366-T406 PolarHBondContact O-OG1 3.19Å; L366-L410 HydrophobicContact CB-CD1 3.88Å |
| 367 | R | 97.4 | Very high | 97.6 | Very high | 120 Ų | 120 | 43.6 Ų | 43.6 | 45% | 0.453 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.7 | -36.3 | 179.7 | -74.7 | 177.2 | 173.3 | 165.4 | 0 | 114.2 | L363 H365 G369 L410 | L363-R367 HydrophobicContact CD1-CG 4.1Å; L363-R367 WeakPolarHBondContact O-CB 3.49Å; L363-R367 WeakPolarHBondContact O-CG 3.47Å; L363-R367 PolarHBondContact O-N 2.93Å; H365-R367 VanDerWaalsContact C-N 3.34Å; H365-R367 PolarHBondContact O-N 2.95Å; R367-G369 PolarHBondContact O-N 3.08Å; R367-L410 HydrophobicContact CG-CD1 4.18Å; R367-L410 HydrophobicContact CG-CD2 4.26Å |
| 368 | R | 96.2 | Very high | 97.4 | Very high | 132 Ų | 132 | 48.8 Ų | 48.8 | 50% | 0.498 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.3 | -31.2 | 177.2 | -81.8 | -173.1 | -57.2 | -100.5 | 0.4 | 112.7 | D364 H365 D370 | D364-R368 WeakPolarHBondContact O-CB 3.13Å; D364-R368 VanDerWaalsContact O-CG 3.28Å; D364-R368 WeakPolarHBondContact O-CG 3.4Å; D364-R368 PolarHBondContact O-N 3.48Å; H365-R368 VanDerWaalsContact CA-NH2 3.27Å; H365-R368 PolarHBondContact O-N 3.08Å; R368-D370 PolarHBondContact O-N 3.35Å |
| 369 | G | 95.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 23.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L366 R367 V402 R403 T406 | L366-G369 PolarHBondContact O-N 2.88Å; R367-G369 PolarHBondContact O-N 3.08Å; G369-V402 WeakPolarHBondContact O-CG1 3.49Å; G369-R403 WeakPolarHBondContact O-CG 3.41Å; G369-T406 WeakPolarHBondContact CA-OG1 3.25Å |
| 370 | D | 97.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 52 Ų | 52 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | trans | -102 | 140.4 | 171.7 | -75.4 | -44.3 | 0 | 0 | 0 | 110 | H365 R368 C372 | H365-D370 PolarHBondContact CE1-O 3.33Å; R368-D370 PolarHBondContact O-N 3.35Å; D370-C372 VanDerWaalsContact C-N 3.27Å; D370-C372 PolarHBondContact O-N 3.36Å | ||
| 371 | P | 97.4 | Very high | 97 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -71.9 | -19.2 | -177.6 | 30.6 | -37.3 | 0 | 0 | 0 | 113.2 | S198 F199 I395 M396 K399 V402 | S198-P371 CarbonylContact C-O 3.6Å; S198-P371 VanDerWaalsContact CA-O 3.29Å; S198-P371 WeakPolarHBondContact CA-O 3.28Å; F199-P371 PolarHBondContact N-O 2.57Å; P371-I395 HydrophobicContact CB-CG1 4.27Å; P371-I395 WeakPolarHBondContact CB-O 3.47Å; P371-M396 HydrophobicContact CG-SD 4.37Å; P371-K399 HydrophobicContact CG-CB 4.11Å; P371-K399 HydrophobicContact CG-CG 4.38Å; P371-V402 HydrophobicContact CB-CG2 4.25Å |
| 372 | C | 98.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -167.1 | 175.5 | 177 | 57 | 0 | 0 | 0 | 0 | 110.4 | F199 D370 F376 I395 | F199-C372 HydrophobicContact CB-CB 4.31Å; F199-C372 WeakPolarHBondContact O-CA 3.48Å; D370-C372 VanDerWaalsContact C-N 3.27Å; D370-C372 PolarHBondContact O-N 3.36Å; C372-F376 HydrophobicContact CB-CB 4.09Å; C372-F376 HydrophobicContact CB-CD1 3.92Å; C372-F376 HydrophobicContact CB-CG 4.21Å; C372-I395 HydrophobicContact CB-CG1 4.4Å; C372-I395 HydrophobicContact CB-CG2 4.5Å |
| 373 | S | 97.4 | Very high | 96.6 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | trans | -66.2 | 152 | 170.3 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | D201 R202 Q375 F376 | D201-S373 WeakPolarHBondContact OD1-CB 3.49Å; D201-S373 PolarHBondContact OD1-N 3.1Å; D201-S373 PolarHBondContact OD1-OG 3.42Å; D201-S373 PolarHBondContact OD2-OG 3.42Å; R202-S373 PolarHBondContact NE-OG 3.21Å; S373-Q375 PolarHBondContact O-N 3.37Å; S373-F376 WeakPolarHBondContact O-CB 3.47Å; S373-F376 PolarHBondContact O-N 2.74Å; S373-F376 VanDerWaalsContact O-N 3.13Å; S373-F376 PolarHBondContact OG-N 3.26Å; S373-F376 VanDerWaalsContact OG-N 3.08Å | ||
| 374 | K | 96.7 | Very high | 96.2 | Very high | 191 Ų | 191 | 64.7 Ų | 64.7 | 83% | 0.83 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.1 | -34.9 | 171.8 | -66.1 | -178.6 | -179 | 175.9 | 0 | 112 | F376 M377 | K374-F376 VanDerWaalsContact C-N 3.33Å; K374-F376 PolarHBondContact O-N 3.39Å; K374-M377 PolarHBondContact O-N 3.41Å |
| 375 | Q | 96.2 | Very high | 95.9 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -32 | -179.4 | -167 | 67.3 | 10 | 0 | 0 | 112 | R202 S373 M377 L378 | R202-Q375 VanDerWaalsContact CZ-CG 3.41Å; S373-Q375 PolarHBondContact O-N 3.37Å; Q375-M377 PolarHBondContact O-N 2.69Å; Q375-L378 PolarHBondContact O-N 2.91Å; Q375-L378 VanDerWaalsContact O-N 3.17Å |
| 376 | F | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.6 | -39.9 | 173.5 | -176.2 | -108.2 | 0 | 0 | 0 | 111.9 | Y154 L163 F199 D201 C372 S373 K374 L378 T391 R392 I395 | Y154-F376 AromaticContact CE2-CD2 3.71Å; Y154-F376 HydrophobicContact CE2-CD2 3.71Å; Y154-F376 AromaticContact CE2-CE2 3.85Å; Y154-F376 HydrophobicContact CE2-CE2 3.85Å; L163-F376 HydrophobicContact CD2-CE1 4.2Å; L163-F376 HydrophobicContact CD2-CE2 4.39Å; L163-F376 HydrophobicContact CD2-CZ 3.69Å; F199-F376 AromaticContact CD1-CD2 3.99Å; F199-F376 HydrophobicContact CD1-CD2 3.99Å; F199-F376 HydrophobicContact CD1-CE1 4.43Å; F199-F376 AromaticContact CD1-CE2 3.81Å; F199-F376 HydrophobicContact CD1-CE2 3.81Å; F199-F376 HydrophobicContact CD1-CG 4.39Å; F199-F376 HydrophobicContact CD1-CZ 4.06Å; F199-F376 AromaticContact CE1-CD2 3.9Å; F199-F376 HydrophobicContact CE1-CD2 3.9Å; F199-F376 AromaticContact CE1-CE2 3.57Å; F199-F376 HydrophobicContact CE1-CE2 3.57Å; F199-F376 HydrophobicContact CE1-CZ 4.15Å; D201-F376 HydrophobicContact CB-CB 4.34Å; D201-F376 HydrophobicContact CB-CD2 3.83Å; D201-F376 HydrophobicContact CB-CG 4.3Å; D201-F376 WeakPolarHBondContact OD2-CB 3.31Å; C372-F376 HydrophobicContact CB-CB 4.09Å; C372-F376 HydrophobicContact CB-CD1 3.92Å; C372-F376 HydrophobicContact CB-CG 4.21Å; S373-F376 WeakPolarHBondContact O-CB 3.47Å; S373-F376 PolarHBondContact O-N 2.74Å; S373-F376 VanDerWaalsContact O-N 3.13Å; S373-F376 PolarHBondContact OG-N 3.26Å; S373-F376 VanDerWaalsContact OG-N 3.08Å; K374-F376 VanDerWaalsContact C-N 3.33Å; K374-F376 PolarHBondContact O-N 3.39Å; F376-L378 PolarHBondContact O-N 2.89Å; F376-T391 HydrophobicContact CZ-CG2 4.06Å; F376-R392 HydrophobicContact CD1-CG 4.27Å; F376-R392 HydrophobicContact CE1-CG 3.81Å; F376-R392 HydrophobicContact CZ-CG 4.3Å; F376-R392 PolarHBondContact O-NE 3.17Å; F376-R392 PolarHBondContact O-NH2 3.1Å; F376-I395 HydrophobicContact CD1-CG2 4.04Å; F376-I395 HydrophobicContact CE1-CG2 3.74Å |
| 377 | M | 96 | Very high | 95.2 | Very high | 68 Ų | 68 | 65.9 Ų | 65.9 | 34% | 0.335 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.6 | -22.9 | -177.9 | -67.1 | -51.6 | -55.5 | 0 | 0 | 113.7 | K374 Q375 R379 R392 I395 M396 | K374-M377 PolarHBondContact O-N 3.41Å; Q375-M377 PolarHBondContact O-N 2.69Å; M377-R379 PolarHBondContact O-N 3.37Å; M377-R392 HydrophobicContact CE-CB 3.78Å; M377-R392 HydrophobicContact CE-CG 4.21Å; M377-R392 WeakPolarHBondContact O-CD 3.41Å; M377-R392 PolarHBondContact O-NE 2.92Å; M377-R392 HydrophobicContact SD-CB 4.2Å; M377-R392 HydrophobicContact SD-CG 4.19Å; M377-I395 HydrophobicContact SD-CG2 4.22Å; M377-M396 HydrophobicContact CE-CB 4.45Å; M377-M396 HydrophobicContact CE-CG 3.15Å; M377-M396 HydrophobicContact CE-SD 3.91Å; M377-M396 HydrophobicContact CG-CG 4.41Å; M377-M396 HydrophobicContact CG-SD 3.96Å; M377-M396 HydrophobicContact SD-CG 3.34Å; M377-M396 WeakPolarHBondContact SD-CG 2.98Å; M377-M396 HydrophobicContact SD-SD 3.56Å |
| 378 | L | 95.1 | Very high | 95 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -79 | 113.7 | 171 | -173.1 | 59.5 | 0 | 0 | 0 | 109.4 | Q375 F376 R392 | Q375-L378 PolarHBondContact O-N 2.91Å; Q375-L378 VanDerWaalsContact O-N 3.17Å; F376-L378 PolarHBondContact O-N 2.89Å; L378-R392 PolarHBondContact O-NH2 2.99Å |
| 379 | R | 94.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | trans | -68.7 | 157.4 | 168.7 | -68.7 | 171.8 | 66.1 | 179.6 | 4.5 | 109.3 | M377 C383 N385 E389 R392 | M377-R379 PolarHBondContact O-N 3.37Å; R379-C383 HydrophobicContact CB-CB 4.32Å; R379-C383 PolarHBondContact NH2-O 3.09Å; R379-N385 PolarHBondContact NH2-O 2.86Å; R379-E389 IonicContact NH1-OE2 3.26Å; R379-E389 PolarHBondContact NH1-OE2 2.85Å; R379-R392 VanDerWaalsContact CG-CZ 3.46Å; R379-R392 VanDerWaalsContact CG-NE 3.32Å | ||
| 380 | C | 95.8 | Very high | 94.9 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | trans | -52.1 | 129.9 | 164.8 | -41.5 | 0 | 0 | 0 | 0 | 108 | R249 G250 M382 C383 | R249-C380 HydrophobicContact CB-CB 4.48Å; R249-C380 HydrophobicContact CG-CB 4.2Å; R249-C380 CarbonylContact O-C 3.36Å; R249-C380 WeakPolarHBondContact O-CB 3.43Å; G250-C380 WeakPolarHBondContact O-CB 3.31Å; C380-M382 PolarHBondContact O-N 3.13Å; C380-C383 HydrophobicContact CB-CB 3.99Å; C380-C383 WeakPolarHBondContact O-CB 3.42Å; C380-C383 PolarHBondContact O-N 3.45Å | ||
| 381 | P | 95.6 | Very high | 94.8 | Very high | 107 Ų | 107 | 58.8 Ų | 58.8 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -35.3 | -174 | -33.7 | 34.4 | 0 | 0 | 0 | 115.5 | ||
| 382 | M | 96 | Very high | 94.7 | Very high | 136 Ų | 136 | 59.2 Ų | 59.2 | 67% | 0.67 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 16.9 | 179.7 | -53.8 | -57.2 | -66.9 | 0 | 0 | 113.2 | R249 C380 T384 | R249-M382 HydrophobicContact CG-CB 4.02Å; R249-M382 PolarHBondContact O-N 2.86Å; C380-M382 PolarHBondContact O-N 3.13Å; M382-T384 PolarHBondContact O-N 2.77Å |
| 383 | C | 93.4 | Very high | 94.6 | Very high | 16 Ų | 16 | 64.9 Ų | 64.9 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | trans | -75.2 | 119 | -177.8 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | R379 C380 | R379-C383 HydrophobicContact CB-CB 4.32Å; R379-C383 PolarHBondContact NH2-O 3.09Å; C380-C383 HydrophobicContact CB-CB 3.99Å; C380-C383 WeakPolarHBondContact O-CB 3.42Å; C380-C383 PolarHBondContact O-N 3.45Å | ||
| 384 | T | 90.9 | Very high | 94.5 | Very high | 121 Ų | 121 | 65.3 Ų | 65.3 | 74% | 0.742 | 33% | 0.328 | S | S | * | . | trans | -105.2 | 1.5 | 172.1 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | M382 P386 | M382-T384 PolarHBondContact O-N 2.77Å; T384-P386 VanDerWaalsContact O-CD 3.29Å; T384-P386 WeakPolarHBondContact O-CD 3.48Å | ||
| 385 | N | 90.2 | Very high | 94.4 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | trans | -70.7 | 115 | -178.4 | -176.3 | -3.5 | 0 | 0 | 0 | 111 | R379 S387 C388 | R379-N385 PolarHBondContact NH2-O 2.86Å; N385-S387 VanDerWaalsContact C-N 3.27Å; N385-S387 PolarHBondContact O-N 2.84Å; N385-S387 WeakPolarHBondContact OD1-CB 3.29Å; N385-S387 PolarHBondContact OD1-N 3.2Å; N385-S387 PolarHBondContact OD1-OG 3.1Å; N385-C388 WeakPolarHBondContact O-CB 3.44Å; N385-C388 PolarHBondContact O-N 3.29Å | ||
| 386 | P | 91.5 | Very high | 94.4 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.5 | -26 | -177.9 | 29.1 | -36.9 | 0 | 0 | 0 | 113.1 | T384 C388 E389 R390 | T384-P386 VanDerWaalsContact O-CD 3.29Å; T384-P386 WeakPolarHBondContact O-CD 3.48Å; P386-C388 VanDerWaalsContact C-N 3.28Å; P386-C388 PolarHBondContact O-N 2.91Å; P386-E389 WeakPolarHBondContact O-CB 3.43Å; P386-E389 PolarHBondContact O-N 3.18Å; P386-E389 VanDerWaalsContact O-N 3.09Å; P386-R390 PolarHBondContact O-N 3.45Å |
| 387 | S | 91.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 174.4 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | E57 N385 E389 R390 T391 | E57-S387 WeakPolarHBondContact OE1-CB 3.44Å; E57-S387 PolarHBondContact OE1-OG 2.85Å; N385-S387 VanDerWaalsContact C-N 3.27Å; N385-S387 PolarHBondContact O-N 2.84Å; N385-S387 WeakPolarHBondContact OD1-CB 3.29Å; N385-S387 PolarHBondContact OD1-N 3.2Å; N385-S387 PolarHBondContact OD1-OG 3.1Å; S387-E389 PolarHBondContact O-N 3.41Å; S387-R390 PolarHBondContact O-N 3.19Å; S387-R390 PolarHBondContact OG-NH2 3Å; S387-R390 VanDerWaalsContact OG-NH2 3.16Å; S387-T391 WeakPolarHBondContact O-CB 3.45Å; S387-T391 PolarHBondContact O-N 3.32Å; S387-T391 PolarHBondContact O-OG1 2.89Å; S387-T391 VanDerWaalsContact O-OG1 3.12Å |
| 388 | C | 93.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 5% | 0.054 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -30.7 | 177.9 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | N385 P386 R392 | N385-C388 WeakPolarHBondContact O-CB 3.44Å; N385-C388 PolarHBondContact O-N 3.29Å; P386-C388 VanDerWaalsContact C-N 3.28Å; P386-C388 PolarHBondContact O-N 2.91Å; C388-R392 WeakPolarHBondContact O-CD 3.35Å; C388-R392 WeakPolarHBondContact O-CG 3.34Å; C388-R392 PolarHBondContact O-NH1 2.84Å |
| 389 | E | 94 | Very high | 94.3 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 34% | 0.341 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -76.2 | -48.5 | 175.8 | -165.3 | 178.5 | 146.1 | 0 | 0 | 111.6 | R379 P386 S387 T391 R392 K393 | R379-E389 IonicContact NH1-OE2 3.26Å; R379-E389 PolarHBondContact NH1-OE2 2.85Å; P386-E389 WeakPolarHBondContact O-CB 3.43Å; P386-E389 PolarHBondContact O-N 3.18Å; P386-E389 VanDerWaalsContact O-N 3.09Å; S387-E389 PolarHBondContact O-N 3.41Å; E389-T391 VanDerWaalsContact C-N 3.28Å; E389-T391 PolarHBondContact O-N 3.31Å; E389-R392 PolarHBondContact O-N 3.24Å; E389-R392 VanDerWaalsContact O-N 3.15Å; E389-K393 PolarHBondContact O-N 2.8Å; E389-K393 VanDerWaalsContact OE1-CE 3.22Å; E389-K393 WeakPolarHBondContact OE1-CE 3.5Å; E389-K393 IonicContact OE1-NZ 2.69Å; E389-K393 PolarHBondContact OE1-NZ 2.79Å |
| 390 | R | 94.3 | Very high | 94.4 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 178.8 | -68.6 | -163.3 | -58 | -78.3 | -7.9 | 111.1 | E171 P386 S387 R392 K393 F394 | E171-R390 WeakPolarHBondContact OE1-CD 3.33Å; E171-R390 IonicContact OE1-NE 3.02Å; E171-R390 WeakPolarHBondContact OE2-CD 3.32Å; E171-R390 IonicContact OE2-CZ 2.8Å; E171-R390 IonicContact OE2-NE 3.31Å; E171-R390 PolarHBondContact OE2-NE 3.41Å; P386-R390 PolarHBondContact O-N 3.45Å; S387-R390 PolarHBondContact O-N 3.19Å; S387-R390 PolarHBondContact OG-NH2 3Å; S387-R390 VanDerWaalsContact OG-NH2 3.16Å; R390-R392 VanDerWaalsContact C-N 3.33Å; R390-R392 PolarHBondContact O-N 2.76Å; R390-K393 PolarHBondContact O-N 3.19Å; R390-K393 VanDerWaalsContact O-N 3.15Å; R390-F394 WeakPolarHBondContact O-CB 3.33Å; R390-F394 PolarHBondContact O-N 2.65Å |
| 391 | T | 94.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 179 | -61.1 | 0 | 0 | 0 | 0 | 114.1 | L163 N164 V167 F376 S387 E389 I395 | L163-T391 HydrophobicContact CB-CG2 3.98Å; L163-T391 HydrophobicContact CD2-CG2 3.34Å; L163-T391 HydrophobicContact CG-CG2 3.43Å; L163-T391 VanDerWaalsContact CG-CG2 3.43Å; N164-T391 WeakPolarHBondContact CA-OG1 3.42Å; N164-T391 WeakPolarHBondContact OD1-CB 3.22Å; N164-T391 PolarHBondContact OD1-OG1 3.24Å; V167-T391 HydrophobicContact CG2-CG2 4.02Å; F376-T391 HydrophobicContact CZ-CG2 4.06Å; S387-T391 WeakPolarHBondContact O-CB 3.45Å; S387-T391 PolarHBondContact O-N 3.32Å; S387-T391 PolarHBondContact O-OG1 2.89Å; S387-T391 VanDerWaalsContact O-OG1 3.12Å; E389-T391 VanDerWaalsContact C-N 3.28Å; E389-T391 PolarHBondContact O-N 3.31Å; T391-I395 PolarHBondContact O-N 3.38Å; T391-I395 VanDerWaalsContact O-N 3.08Å |
| 392 | R | 95.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.8 | -39.1 | 173.9 | -77.7 | 170.4 | 177.5 | 70.7 | 4.7 | 112 | F376 M377 L378 R379 C388 E389 R390 M396 | F376-R392 HydrophobicContact CD1-CG 4.27Å; F376-R392 HydrophobicContact CE1-CG 3.81Å; F376-R392 HydrophobicContact CZ-CG 4.3Å; F376-R392 PolarHBondContact O-NE 3.17Å; F376-R392 PolarHBondContact O-NH2 3.1Å; M377-R392 HydrophobicContact CE-CB 3.78Å; M377-R392 HydrophobicContact CE-CG 4.21Å; M377-R392 WeakPolarHBondContact O-CD 3.41Å; M377-R392 PolarHBondContact O-NE 2.92Å; M377-R392 HydrophobicContact SD-CB 4.2Å; M377-R392 HydrophobicContact SD-CG 4.19Å; L378-R392 PolarHBondContact O-NH2 2.99Å; R379-R392 VanDerWaalsContact CG-CZ 3.46Å; R379-R392 VanDerWaalsContact CG-NE 3.32Å; C388-R392 WeakPolarHBondContact O-CD 3.35Å; C388-R392 WeakPolarHBondContact O-CG 3.34Å; C388-R392 PolarHBondContact O-NH1 2.84Å; E389-R392 PolarHBondContact O-N 3.24Å; E389-R392 VanDerWaalsContact O-N 3.15Å; R390-R392 VanDerWaalsContact C-N 3.33Å; R390-R392 PolarHBondContact O-N 2.76Å; R392-M396 WeakPolarHBondContact O-CB 3.17Å; R392-M396 VanDerWaalsContact O-CG 3.27Å; R392-M396 WeakPolarHBondContact O-CG 3.5Å; R392-M396 PolarHBondContact O-N 3.45Å |
| 393 | K | 96.1 | Very high | 94.6 | Very high | 130 Ų | 130 | 56.6 Ų | 56.6 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 174.2 | -70.1 | 178.4 | -177.6 | 169.7 | 0 | 111.1 | E389 R390 I395 M396 A397 | E389-K393 PolarHBondContact O-N 2.8Å; E389-K393 VanDerWaalsContact OE1-CE 3.22Å; E389-K393 WeakPolarHBondContact OE1-CE 3.5Å; E389-K393 IonicContact OE1-NZ 2.69Å; E389-K393 PolarHBondContact OE1-NZ 2.79Å; R390-K393 PolarHBondContact O-N 3.19Å; R390-K393 VanDerWaalsContact O-N 3.15Å; K393-I395 PolarHBondContact O-N 3.01Å; K393-M396 PolarHBondContact O-N 3.47Å; K393-A397 PolarHBondContact O-N 2.69Å |
| 394 | F | 95.7 | Very high | 94.8 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 18% | 0.18 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.9 | -54.1 | 175.8 | 175 | -92 | 0 | 0 | 0 | 111.6 | V167 Y170 W197 R390 M396 A397 | V167-F394 HydrophobicContact CG1-CB 4.07Å; V167-F394 HydrophobicContact CG1-CD2 4.39Å; V167-F394 HydrophobicContact CG1-CG 4.28Å; V167-F394 HydrophobicContact CG2-CB 3.79Å; V167-F394 HydrophobicContact CG2-CD1 3.52Å; V167-F394 HydrophobicContact CG2-CD2 4.13Å; V167-F394 HydrophobicContact CG2-CE1 4.1Å; V167-F394 HydrophobicContact CG2-CG 3.53Å; Y170-F394 HydrophobicContact CD2-CE2 4.01Å; Y170-F394 HydrophobicContact CD2-CZ 4.04Å; Y170-F394 HydrophobicContact CE2-CE2 4.45Å; Y170-F394 HydrophobicContact CE2-CZ 4.12Å; Y170-F394 HydrophobicContact CG-CE2 4.46Å; W197-F394 HydrophobicContact CB-CE1 3.91Å; W197-F394 HydrophobicContact CB-CZ 4.29Å; W197-F394 AromaticContact CD1-CZ 3.59Å; W197-F394 AromaticContact CG-CE1 3.9Å; W197-F394 HydrophobicContact CG-CE1 3.9Å; W197-F394 AromaticContact CG-CZ 3.89Å; W197-F394 HydrophobicContact CG-CZ 3.89Å; R390-F394 WeakPolarHBondContact O-CB 3.33Å; R390-F394 PolarHBondContact O-N 2.65Å; F394-M396 PolarHBondContact O-N 3.48Å; F394-A397 PolarHBondContact O-N 2.72Å |
| 395 | I | 95.7 | Very high | 95 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.2 | -33.8 | -176.5 | -150.8 | 59.7 | 0 | 0 | 0 | 112.2 | W197 F199 P371 C372 F376 M377 T391 K393 Q398 | W197-I395 HydrophobicContact CB-CD1 4.11Å; F199-I395 HydrophobicContact CB-CD1 4.22Å; F199-I395 HydrophobicContact CB-CG1 4.26Å; P371-I395 HydrophobicContact CB-CG1 4.27Å; P371-I395 WeakPolarHBondContact CB-O 3.47Å; C372-I395 HydrophobicContact CB-CG1 4.4Å; C372-I395 HydrophobicContact CB-CG2 4.5Å; F376-I395 HydrophobicContact CD1-CG2 4.04Å; F376-I395 HydrophobicContact CE1-CG2 3.74Å; M377-I395 HydrophobicContact SD-CG2 4.22Å; T391-I395 PolarHBondContact O-N 3.38Å; T391-I395 VanDerWaalsContact O-N 3.08Å; K393-I395 PolarHBondContact O-N 3.01Å; I395-Q398 WeakPolarHBondContact O-CB 3.3Å; I395-Q398 PolarHBondContact O-N 3.44Å |
| 396 | M | 95.2 | Very high | 95.4 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.9 | -29.2 | 178 | -77.2 | -58.5 | -60.4 | 0 | 0 | 113.6 | P371 M377 R392 K393 F394 Q398 K399 | P371-M396 HydrophobicContact CG-SD 4.37Å; M377-M396 HydrophobicContact CE-CB 4.45Å; M377-M396 HydrophobicContact CE-CG 3.15Å; M377-M396 HydrophobicContact CE-SD 3.91Å; M377-M396 HydrophobicContact CG-CG 4.41Å; M377-M396 HydrophobicContact CG-SD 3.96Å; M377-M396 HydrophobicContact SD-CG 3.34Å; M377-M396 WeakPolarHBondContact SD-CG 2.98Å; M377-M396 HydrophobicContact SD-SD 3.56Å; R392-M396 WeakPolarHBondContact O-CB 3.17Å; R392-M396 VanDerWaalsContact O-CG 3.27Å; R392-M396 WeakPolarHBondContact O-CG 3.5Å; R392-M396 PolarHBondContact O-N 3.45Å; K393-M396 PolarHBondContact O-N 3.47Å; F394-M396 PolarHBondContact O-N 3.48Å; M396-Q398 PolarHBondContact O-N 3.39Å; M396-K399 HydrophobicContact CE-CD 3.76Å; M396-K399 VanDerWaalsContact O-CB 3.24Å; M396-K399 WeakPolarHBondContact O-CB 3.45Å; M396-K399 PolarHBondContact O-N 3.01Å; M396-K399 VanDerWaalsContact O-N 3.11Å |
| 397 | A | 95.5 | Very high | 95.6 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 59% | 0.587 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.6 | -21.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K393 F394 K399 | K393-A397 PolarHBondContact O-N 2.69Å; F394-A397 PolarHBondContact O-N 2.72Å; A397-K399 VanDerWaalsContact C-N 3.33Å |
| 398 | Q | 95.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 61.2 Ų | 61.2 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.2 | 178.5 | -50.9 | -62.5 | -62.5 | 0 | 0 | 113.4 | W197 I395 M396 E400 Q401 V402 | W197-Q398 HydrophobicContact CB-CG 4.11Å; W197-Q398 VanDerWaalsContact N-OE1 3.12Å; W197-Q398 VanDerWaalsContact O-CB 3.23Å; W197-Q398 WeakPolarHBondContact O-CB 3.47Å; W197-Q398 WeakPolarHBondContact O-CG 3.4Å; I395-Q398 WeakPolarHBondContact O-CB 3.3Å; I395-Q398 PolarHBondContact O-N 3.44Å; M396-Q398 PolarHBondContact O-N 3.39Å; Q398-E400 PolarHBondContact O-N 3.41Å; Q398-Q401 PolarHBondContact O-N 3.47Å; Q398-V402 HydrophobicContact CB-CG2 4.14Å; Q398-V402 WeakPolarHBondContact O-CB 3.25Å; Q398-V402 VanDerWaalsContact O-CG2 3.3Å; Q398-V402 WeakPolarHBondContact O-CG2 3.24Å; Q398-V402 PolarHBondContact O-N 2.9Å |
| 399 | K | 96.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.6 | -44.6 | -166.8 | -178.5 | 177.5 | 177.8 | -177.5 | 0 | 114 | P371 M396 A397 R403 | P371-K399 HydrophobicContact CG-CB 4.11Å; P371-K399 HydrophobicContact CG-CG 4.38Å; M396-K399 HydrophobicContact CE-CD 3.76Å; M396-K399 VanDerWaalsContact O-CB 3.24Å; M396-K399 WeakPolarHBondContact O-CB 3.45Å; M396-K399 PolarHBondContact O-N 3.01Å; M396-K399 VanDerWaalsContact O-N 3.11Å; A397-K399 VanDerWaalsContact C-N 3.33Å; K399-R403 VanDerWaalsContact CE-CZ 3.44Å; K399-R403 VanDerWaalsContact CE-NH2 3.32Å; K399-R403 VanDerWaalsContact O-CG 3.31Å; K399-R403 WeakPolarHBondContact O-CG 3.38Å; K399-R403 PolarHBondContact O-N 3.09Å |
| 400 | E | 97 | Very high | 95.8 | Very high | 141 Ų | 141 | 60.2 Ų | 60.2 | 66% | 0.659 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.4 | -49.4 | -179.6 | -173.2 | 168.8 | -159.5 | 0 | 0 | 110.8 | Q398 V402 R403 D404 | Q398-E400 PolarHBondContact O-N 3.41Å; E400-V402 VanDerWaalsContact C-N 3.3Å; E400-V402 PolarHBondContact O-N 3.39Å; E400-R403 WeakPolarHBondContact O-CA 3.44Å; E400-R403 WeakPolarHBondContact O-CB 3.48Å; E400-R403 PolarHBondContact O-N 3.05Å; E400-D404 PolarHBondContact O-N 3.21Å |
| 401 | Q | 96.7 | Very high | 94.8 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 176.6 | -66.1 | 178.4 | -26.6 | 0 | 0 | 112.8 | I196 Q398 R403 D404 W405 | I196-Q401 HydrophobicContact CD1-CB 4Å; I196-Q401 HydrophobicContact CG1-CB 4Å; I196-Q401 HydrophobicContact CG2-CB 3.79Å; Q398-Q401 PolarHBondContact O-N 3.47Å; Q401-R403 VanDerWaalsContact C-N 3.35Å; Q401-D404 PolarHBondContact O-N 2.63Å; Q401-W405 WeakPolarHBondContact O-CB 3.4Å; Q401-W405 PolarHBondContact O-N 3.42Å |
| 402 | V | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | I196 G369 P371 Q398 E400 T406 | I196-V402 HydrophobicContact CG2-CB 4.41Å; I196-V402 HydrophobicContact CG2-CG2 3.52Å; G369-V402 WeakPolarHBondContact O-CG1 3.49Å; P371-V402 HydrophobicContact CB-CG2 4.25Å; Q398-V402 HydrophobicContact CB-CG2 4.14Å; Q398-V402 WeakPolarHBondContact O-CB 3.25Å; Q398-V402 VanDerWaalsContact O-CG2 3.3Å; Q398-V402 WeakPolarHBondContact O-CG2 3.24Å; Q398-V402 PolarHBondContact O-N 2.9Å; E400-V402 VanDerWaalsContact C-N 3.3Å; E400-V402 PolarHBondContact O-N 3.39Å; V402-T406 VanDerWaalsContact O-CB 3.28Å; V402-T406 WeakPolarHBondContact O-CB 3.38Å; V402-T406 PolarHBondContact O-N 2.71Å; V402-T406 PolarHBondContact O-OG1 3.42Å |
| 403 | R | 96.8 | Very high | 91 | Very high | 117 Ų | 117 | 68.5 Ų | 68.5 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.8 | -43 | 178.8 | -74.6 | 172.8 | 173.4 | -159.8 | -9.5 | 112 | G369 K399 E400 Q401 T406 T407 | G369-R403 WeakPolarHBondContact O-CG 3.41Å; K399-R403 VanDerWaalsContact CE-CZ 3.44Å; K399-R403 VanDerWaalsContact CE-NH2 3.32Å; K399-R403 VanDerWaalsContact O-CG 3.31Å; K399-R403 WeakPolarHBondContact O-CG 3.38Å; K399-R403 PolarHBondContact O-N 3.09Å; E400-R403 WeakPolarHBondContact O-CA 3.44Å; E400-R403 WeakPolarHBondContact O-CB 3.48Å; E400-R403 PolarHBondContact O-N 3.05Å; Q401-R403 VanDerWaalsContact C-N 3.35Å; R403-T406 PolarHBondContact O-N 3.04Å; R403-T407 WeakPolarHBondContact O-CB 3.37Å; R403-T407 PolarHBondContact O-N 3.4Å; R403-T407 PolarHBondContact O-OG1 3.15Å |
| 404 | D | 96.6 | Very high | 88.5 | Confident | 95 Ų | 95 | 70.9 Ų | 70.9 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 179 | -67.6 | -14.2 | 0 | 0 | 0 | 110.6 | E400 Q401 T406 T407 L408 | E400-D404 PolarHBondContact O-N 3.21Å; Q401-D404 PolarHBondContact O-N 2.63Å; D404-T406 VanDerWaalsContact C-N 3.33Å; D404-T406 PolarHBondContact O-N 3.23Å; D404-T407 PolarHBondContact O-N 3.32Å; D404-L408 VanDerWaalsContact O-CB 3.29Å; D404-L408 WeakPolarHBondContact O-CB 3.37Å; D404-L408 PolarHBondContact O-N 3.3Å |
| 405 | W | 96.6 | Very high | 85.7 | Confident | 13 Ų | 13 | 74.1 Ų | 74.1 | 5% | 0.049 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 175.1 | -171.2 | 97 | 0 | 0 | 0 | 111.3 | K28 T29 T114 R144 I196 L366 Q401 L408 H409 L410 | K28-W405 HydrophobicContact CD-CZ2 4.22Å; K28-W405 HydrophobicContact CG-CZ2 4.2Å; T29-W405 WeakPolarHBondContact OG1-CH2 3.32Å; T29-W405 WeakPolarHBondContact OG1-CZ2 3.43Å; T114-W405 HydrophobicContact CG2-CH2 3.35Å; T114-W405 HydrophobicContact CG2-CZ2 4.32Å; T114-W405 HydrophobicContact CG2-CZ3 3.75Å; R144-W405 HydrophobicContact CB-CD2 4Å; R144-W405 HydrophobicContact CB-CG 4.42Å; R144-W405 HydrophobicContact CB-CH2 4.29Å; R144-W405 HydrophobicContact CB-CZ2 3.76Å; R144-W405 VanDerWaalsContact CD-CZ3 3.46Å; R144-W405 HydrophobicContact CG-CD2 4.38Å; I196-W405 HydrophobicContact CD1-CB 4Å; I196-W405 HydrophobicContact CD1-CG 4.23Å; L366-W405 HydrophobicContact CD2-CH2 4.42Å; L366-W405 HydrophobicContact CD2-CZ3 4.27Å; Q401-W405 WeakPolarHBondContact O-CB 3.4Å; Q401-W405 PolarHBondContact O-N 3.42Å; W405-L408 PolarHBondContact O-N 2.72Å; W405-H409 AromaticContact CD1-CD2 3.71Å; W405-H409 AromaticContact CD1-NE2 3.78Å; W405-H409 AromaticContact CD2-CD2 3.49Å; W405-H409 VanDerWaalsContact CD2-CD2 3.49Å; W405-H409 AromaticContact CE2-CD2 3.38Å; W405-H409 AromaticContact CE2-NE2 3.95Å; W405-H409 AromaticContact CG-CD2 3.76Å; W405-H409 AromaticContact CZ2-CD2 3.93Å; W405-H409 HydrophobicContact CZ3-CB 4.5Å; W405-H409 AromaticContact NE1-CD2 3.45Å; W405-H409 PolarHBondContact NE1-CD2 2.86Å; W405-H409 AromaticContact NE1-NE2 3.54Å; W405-H409 PolarHBondContact O-CD2 3.24Å; W405-H409 PolarHBondContact O-N 2.7Å; W405-H409 VanDerWaalsContact O-N 3.1Å; W405-L410 HydrophobicContact CZ3-CD1 4.34Å |
| 406 | T | 97 | Very high | 82.7 | Confident | 13 Ų | 13 | 81.2 Ų | 81.2 | 8% | 0.08 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.9 | -44 | 178.4 | -58 | 0 | 0 | 0 | 0 | 111.1 | R144 L366 G369 V402 R403 D404 L408 H409 L410 | R144-T406 PolarHBondContact NH1-OG1 2.86Å; L366-T406 VanDerWaalsContact O-CG2 3.24Å; L366-T406 WeakPolarHBondContact O-CG2 3.35Å; L366-T406 PolarHBondContact O-OG1 3.19Å; G369-T406 WeakPolarHBondContact CA-OG1 3.25Å; V402-T406 VanDerWaalsContact O-CB 3.28Å; V402-T406 WeakPolarHBondContact O-CB 3.38Å; V402-T406 PolarHBondContact O-N 2.71Å; V402-T406 PolarHBondContact O-OG1 3.42Å; R403-T406 PolarHBondContact O-N 3.04Å; D404-T406 VanDerWaalsContact C-N 3.33Å; D404-T406 PolarHBondContact O-N 3.23Å; T406-L408 PolarHBondContact O-N 3.24Å; T406-H409 PolarHBondContact O-N 3.47Å; T406-L410 HydrophobicContact CG2-CB 4.32Å; T406-L410 HydrophobicContact CG2-CD1 4.22Å; T406-L410 WeakPolarHBondContact O-CA 2.69Å; T406-L410 WeakPolarHBondContact O-CB 3.48Å; T406-L410 PolarHBondContact O-N 3.04Å |
| 407 | T | 96 | Very high | 79.8 | Confident | 84 Ų | 84 | 92.1 Ų | 92.1 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | R403 D404 H409 S411 | R403-T407 WeakPolarHBondContact O-CB 3.37Å; R403-T407 PolarHBondContact O-N 3.4Å; R403-T407 PolarHBondContact O-OG1 3.15Å; D404-T407 PolarHBondContact O-N 3.32Å; T407-H409 VanDerWaalsContact C-N 3.31Å; T407-H409 PolarHBondContact O-N 2.8Å; T407-S411 WeakPolarHBondContact O-CB 3.48Å; T407-S411 PolarHBondContact O-N 3.11Å; T407-S411 PolarHBondContact O-OG 2.88Å |
| 408 | L | 95 | Very high | 79 | Confident | 133 Ų | 133 | 93.2 Ų | 93.2 | 70% | 0.696 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.7 | -35.8 | -179.8 | -178.2 | 61.3 | 0 | 0 | 0 | 113 | D404 W405 T406 | D404-L408 VanDerWaalsContact O-CB 3.29Å; D404-L408 WeakPolarHBondContact O-CB 3.37Å; D404-L408 PolarHBondContact O-N 3.3Å; W405-L408 PolarHBondContact O-N 2.72Å; T406-L408 PolarHBondContact O-N 3.24Å |
| 409 | H | 94.7 | Very high | 78.2 | Confident | 42 Ų | 42 | 96.6 Ų | 96.6 | 19% | 0.194 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -108 | -22.9 | -170.9 | -62.4 | -55.9 | 0 | 0 | 0 | 115.3 | E113 T114 W405 T406 T407 | E113-H409 WeakPolarHBondContact CG-O 3.25Å; T114-H409 HydrophobicContact CG2-CB 4.35Å; W405-H409 AromaticContact CD1-CD2 3.71Å; W405-H409 AromaticContact CD1-NE2 3.78Å; W405-H409 AromaticContact CD2-CD2 3.49Å; W405-H409 VanDerWaalsContact CD2-CD2 3.49Å; W405-H409 AromaticContact CE2-CD2 3.38Å; W405-H409 AromaticContact CE2-NE2 3.95Å; W405-H409 AromaticContact CG-CD2 3.76Å; W405-H409 AromaticContact CZ2-CD2 3.93Å; W405-H409 HydrophobicContact CZ3-CB 4.5Å; W405-H409 AromaticContact NE1-CD2 3.45Å; W405-H409 PolarHBondContact NE1-CD2 2.86Å; W405-H409 AromaticContact NE1-NE2 3.54Å; W405-H409 PolarHBondContact O-CD2 3.24Å; W405-H409 PolarHBondContact O-N 2.7Å; W405-H409 VanDerWaalsContact O-N 3.1Å; T406-H409 PolarHBondContact O-N 3.47Å; T407-H409 VanDerWaalsContact C-N 3.31Å; T407-H409 PolarHBondContact O-N 2.8Å |
| 410 | L | 92.4 | Very high | 77.2 | Confident | 17 Ų | 17 | 97.7 Ų | 97.7 | 9% | 0.089 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -126.7 | -1.6 | -170.5 | -68.5 | 163.4 | 0 | 0 | 0 | 114.4 | E113 T114 L366 R367 W405 T406 S413 | E113-L410 HydrophobicContact CG-CD2 3.49Å; E113-L410 VanDerWaalsContact CG-CD2 3.49Å; E113-L410 HydrophobicContact CG-CG 4.37Å; E113-L410 VanDerWaalsContact OE1-CD2 3.25Å; E113-L410 WeakPolarHBondContact OE1-CD2 3.24Å; T114-L410 HydrophobicContact CG2-CD1 4.04Å; T114-L410 HydrophobicContact CG2-CD2 4.04Å; T114-L410 HydrophobicContact CG2-CG 4Å; L366-L410 HydrophobicContact CB-CD1 3.88Å; R367-L410 HydrophobicContact CG-CD1 4.18Å; R367-L410 HydrophobicContact CG-CD2 4.26Å; W405-L410 HydrophobicContact CZ3-CD1 4.34Å; T406-L410 HydrophobicContact CG2-CB 4.32Å; T406-L410 HydrophobicContact CG2-CD1 4.22Å; T406-L410 WeakPolarHBondContact O-CA 2.69Å; T406-L410 WeakPolarHBondContact O-CB 3.48Å; T406-L410 PolarHBondContact O-N 3.04Å; L410-S413 PolarHBondContact O-OG 2.79Å |
| 411 | S | 73.5 | Confident | 76 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -23.2 | -179 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | T407 | T407-S411 WeakPolarHBondContact O-CB 3.48Å; T407-S411 PolarHBondContact O-N 3.11Å; T407-S411 PolarHBondContact O-OG 2.88Å |
| 412 | N | 58.1 | Low | 74.7 | Confident | 152 Ų | 152 | 95.1 Ų | 95.1 | 81% | 0.813 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.5 | -179.5 | -73.2 | -16.4 | 0 | 0 | 0 | 113.8 | E414 | N412-E414 PolarHBondContact O-N 3.22Š|
| 413 | S | 52.4 | Low | 73.2 | Confident | 50 Ų | 50 | 101.5 Ų | 101.5 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | trans | -78.4 | 68.5 | 172.8 | -35.7 | 0 | 0 | 0 | 0 | 109.1 | E113 L410 C415 | E113-S413 PolarHBondContact OE1-OG 3.29Å; L410-S413 PolarHBondContact O-OG 2.79Å; S413-C415 PolarHBondContact O-N 3.48Å | ||
| 414 | E | 43.5 | Very low | 71.5 | Confident | 181 Ų | 181 | 100.4 Ų | 100.4 | 85% | 0.846 | 53% | 0.529 | S | S | * | . | trans | -53.4 | 124.4 | 170.7 | -81.4 | -172.3 | 155.1 | 0 | 0 | 109.5 | N412 V416 | N412-E414 PolarHBondContact O-N 3.22Å; E414-V416 PolarHBondContact O-N 3.1Å | ||
| 415 | C | 37.7 | Very low | 69.6 | Low | 109 Ų | 109 | 100.8 Ų | 100.8 | 74% | 0.736 | 53% | 0.53 | S | S | * | . | trans | -29.5 | 101.4 | 172.6 | -86.1 | 0 | 0 | 0 | 0 | 113.8 | S413 R417 | S413-C415 PolarHBondContact O-N 3.48Å; C415-R417 PolarHBondContact O-N 3.42Å | ||
| 416 | V | 33 | Very low | 67.3 | Low | 148 Ų | 148 | 108.1 Ų | 108.1 | 90% | 0.897 | 57% | 0.57 | S | S | * | * | trans | -86.3 | 91.7 | 143 | -174.4 | 0 | 0 | 0 | 0 | 105.3 | E414 | E414-V416 PolarHBondContact O-N 3.1Š| ||
| 417 | R | 34.9 | Very low | 64.6 | Low | 294 Ų | 294 | 116.7 Ų | 116.7 | 100% | 1.109 | 62% | 0.615 | S | S | * | * | trans | -102.3 | 0 | 161.1 | -86.9 | -167.5 | -177.5 | -167.8 | 1.6 | 108.8 | C415 | C415-R417 PolarHBondContact O-N 3.42Š|
Retrieved 417 of 417 residues in 1105.9 ms
(Link to these results)