| 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 | 33.6 | Very low | 34.2 | Very low | 241 Ų | 241 | 162.1 Ų | 162.1 | 100% | 1.187 | 83% | 0.825 | S | S | * | * | 0 | 139.7 | 0 | -85.7 | 176.6 | 172.8 | 0 | 0 | 108.8 | |||||
| 2 | N | 36.9 | Very low | 34.2 | Very low | 159 Ų | 159 | 166.8 Ų | 166.8 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | 79.1 | 73.1 | 172.1 | -66.5 | -5.9 | 0 | 0 | 0 | 119.3 | ||||
| 3 | T | 29.9 | Very low | 34.3 | Very low | 136 Ų | 136 | 169.2 Ų | 169.2 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -64.9 | 123.4 | 131.9 | 9.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | R | 36.7 | Very low | 34.3 | Very low | 226 Ų | 226 | 164.4 Ų | 164.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | 171.5 | 142.6 | 139.8 | -97.9 | 175.2 | -171.8 | -154 | 1.7 | 112.5 | ||||
| 5 | Y | 36.2 | Very low | 34.6 | Very low | 179 Ų | 179 | 166.9 Ų | 166.9 | 70% | 0.702 | 83% | 0.828 | S | S | * | * | trans | 86.6 | 82.8 | 164.2 | -76.2 | -78.6 | 0 | 0 | 0 | 119.3 | Q7 | Y5-Q7 HydrophobicContact CD1-CB 4.42Å; Y5-Q7 HydrophobicContact CD1-CG 4.31Å | ||
| 6 | I | 32.9 | Very low | 34.9 | Very low | 176 Ų | 176 | 167.6 Ų | 167.6 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | -95.3 | 101 | 146.7 | -62.9 | 169.8 | 0 | 0 | 0 | 106.4 | ||||
| 7 | Q | 30.5 | Very low | 35.2 | Very low | 149 Ų | 149 | 169.8 Ų | 169.8 | 70% | 0.696 | 83% | 0.832 | S | S | * | * | trans | -152.9 | 113.7 | 166.2 | -79.6 | -167.6 | -26.3 | 0 | 0 | 110.9 | Y5 | Y5-Q7 HydrophobicContact CD1-CB 4.42Å; Y5-Q7 HydrophobicContact CD1-CG 4.31Å | ||
| 8 | S | 36.8 | Very low | 35.1 | Very low | 112 Ų | 112 | 170.1 Ų | 170.1 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | trans | 179.6 | 79.4 | 144 | 60.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 9 | I | 35.9 | Very low | 35.3 | Very low | 155 Ų | 155 | 166.2 Ų | 166.2 | 80% | 0.795 | 83% | 0.825 | S | S | * | * | 60.4 | 98.6 | 96.6 | -57.4 | 174.1 | 0 | 0 | 0 | 111.9 | S11 | I9-S11 PolarHBondContact O-N 2.83Š| |||
| 10 | N | 34.3 | Very low | 35.6 | Very low | 167 Ų | 167 | 168.1 Ų | 168.1 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -61.8 | 103.8 | 164.1 | -66.3 | -43.4 | 0 | 0 | 0 | 109.7 | ||||
| 11 | S | 32.8 | Very low | 35.9 | Very low | 83 Ų | 83 | 168 Ų | 168 | 58% | 0.58 | 83% | 0.826 | S | S | * | * | trans | -80.1 | 160.2 | 156.9 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | I9 | I9-S11 PolarHBondContact O-N 2.83Š| ||
| 12 | W | 33.7 | Very low | 36.3 | Very low | 219 Ų | 219 | 161.5 Ų | 161.5 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | 98.4 | 46.4 | 178.4 | -46.8 | 112.7 | 0 | 0 | 0 | 117.2 | ||||
| 13 | H | 35.7 | Very low | 36.8 | Very low | 197 Ų | 197 | 159.1 Ų | 159.1 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | trans | -134.6 | 76.1 | 149.4 | -77.6 | 64.1 | 0 | 0 | 0 | 108.3 | ||||
| 14 | S | 35 | Very low | 38.1 | Very low | 102 Ų | 102 | 158.5 Ų | 158.5 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -124.2 | 63.3 | 166.1 | 59.5 | 0 | 0 | 0 | 0 | 108.1 | E16 | S14-E16 PolarHBondContact O-N 2.81Š| ||
| 15 | F | 38.3 | Very low | 39.7 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -80.2 | 101.5 | 149 | -83.8 | -83.1 | 0 | 0 | 0 | 104.9 | F17 | F15-F17 PolarHBondContact O-N 3.44Š| ||
| 16 | E | 38.9 | Very low | 42.4 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -47.3 | 116.3 | 167.4 | -79.4 | 170.4 | 139.8 | 0 | 0 | 108 | S14 M18 | S14-E16 PolarHBondContact O-N 2.81Å; E16-M18 PolarHBondContact O-N 3.23Å | ||
| 17 | F | 40 | Very low | 45.5 | Very low | 204 Ų | 204 | 137 Ų | 137 | 90% | 0.895 | 71% | 0.712 | S | S | * | * | trans | -56 | 96.8 | 155.4 | -83.5 | -95.1 | 0 | 0 | 0 | 105.6 | F15 S19 | F15-F17 PolarHBondContact O-N 3.44Å; F17-S19 PolarHBondContact O-N 3.06Å | ||
| 18 | M | 33.8 | Very low | 48.7 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | trans | -53 | 101.4 | 153.5 | -72.7 | 176.4 | 63 | 0 | 0 | 104.5 | E16 K20 | E16-M18 PolarHBondContact O-N 3.23Å; M18-K20 PolarHBondContact O-N 3.02Å | ||
| 19 | S | 38.8 | Very low | 51.6 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | trans | -44.1 | 120.4 | 165.6 | 46.9 | 0 | 0 | 0 | 0 | 105.5 | F17 E21 | F17-S19 PolarHBondContact O-N 3.06Å; S19-E21 PolarHBondContact O-N 3.49Å | ||
| 20 | K | 42 | Very low | 54.6 | Low | 205 Ų | 205 | 120.5 Ų | 120.5 | 89% | 0.891 | 62% | 0.622 | S | S | * | * | trans | -51.8 | 101.6 | 161.8 | -78.1 | 179 | 174.8 | -177.7 | 0 | 104.2 | M18 S22 | M18-K20 PolarHBondContact O-N 3.02Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 3.27Å | ||
| 21 | E | 41 | Very low | 57.7 | Low | 165 Ų | 165 | 112.7 Ų | 112.7 | 77% | 0.771 | 58% | 0.581 | S | S | * | * | trans | -50.7 | 113.7 | 159 | -75.7 | -177.2 | 162.1 | 0 | 0 | 102.9 | S19 T23 | S19-E21 PolarHBondContact O-N 3.49Å; E21-T23 PolarHBondContact O-N 3.03Å | ||
| 22 | S | 42.2 | Very low | 60.8 | Low | 106 Ų | 106 | 108.7 Ų | 108.7 | 74% | 0.741 | 55% | 0.553 | S | S | * | * | trans | -65.5 | 81.4 | 172.5 | -178 | 0 | 0 | 0 | 0 | 104.9 | K20 T24 | K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 3.27Å; S22-T24 PolarHBondContact O-N 3.48Å | ||
| 23 | T | 48.2 | Very low | 63.9 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 66% | 0.663 | 51% | 0.514 | S | S | * | . | trans | -61.1 | 98.9 | 161.5 | 53.1 | 0 | 0 | 0 | 0 | 102.7 | E21 T25 | E21-T23 PolarHBondContact O-N 3.03Å; T23-T25 VanDerWaalsContact C-N 3.33Å; T23-T25 PolarHBondContact O-N 3.46Å | ||
| 24 | T | 56.5 | Low | 66.9 | Low | 124 Ų | 124 | 88.9 Ų | 88.9 | 76% | 0.761 | 47% | 0.47 | S | S | * | . | trans | -54.5 | 109 | 172.5 | -6.1 | 0 | 0 | 0 | 0 | 104.8 | S22 T26 | S22-T24 PolarHBondContact O-N 3.48Å; T24-T26 PolarHBondContact O-N 3.32Å | ||
| 25 | T | 69.9 | Low | 69.9 | Low | 54 Ų | 54 | 84.3 Ų | 84.3 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | trans | -58 | 122.5 | -178.6 | 30.6 | 0 | 0 | 0 | 0 | 106.8 | T23 D97 | T23-T25 VanDerWaalsContact C-N 3.33Å; T23-T25 PolarHBondContact O-N 3.46Å; T25-D97 PolarHBondContact OG1-OD1 3.42Å | ||
| 26 | T | 92.3 | Very high | 72.6 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | trans | -121.6 | 143.9 | -177.2 | -161.9 | 0 | 0 | 0 | 0 | 109.7 | T24 N28 T100 | T24-T26 PolarHBondContact O-N 3.32Å; T26-N28 PolarHBondContact O-N 2.89Å; T26-T100 WeakPolarHBondContact O-CA 3.23Å | ||
| 27 | I | 98.1 | Very high | 75.3 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | trans | -81.5 | 114.3 | 174.7 | -62.3 | -60.7 | 0 | 0 | 0 | 108.7 | V29 I30 L96 T100 V102 Y118 S121 | I27-V29 WeakPolarHBondContact CG2-O 3.45Å; I27-I30 HydrophobicContact CG2-CG1 3.78Å; I27-L96 HydrophobicContact CD1-CB 4.22Å; I27-L96 HydrophobicContact CD1-CD1 4.31Å; I27-L96 HydrophobicContact CG1-CB 4.48Å; I27-L96 HydrophobicContact CG1-CD1 4.12Å; I27-T100 CarbonylContact C-O 3.53Å; I27-T100 WeakPolarHBondContact CA-O 3.25Å; I27-V102 HydrophobicContact CG2-CG1 4.1Å; I27-Y118 HydrophobicContact CB-CD1 4.14Å; I27-Y118 HydrophobicContact CB-CD2 3.69Å; I27-Y118 HydrophobicContact CB-CE1 4.41Å; I27-Y118 HydrophobicContact CB-CE2 3.98Å; I27-Y118 HydrophobicContact CB-CG 3.77Å; I27-Y118 HydrophobicContact CG1-CD1 4.32Å; I27-Y118 HydrophobicContact CG1-CD2 3.76Å; I27-Y118 HydrophobicContact CG1-CE1 4.09Å; I27-Y118 HydrophobicContact CG1-CE2 3.47Å; I27-Y118 VanDerWaalsContact CG1-CE2 3.47Å; I27-Y118 HydrophobicContact CG1-CG 4.17Å; I27-Y118 HydrophobicContact CG2-CD2 4.44Å; I27-S121 WeakPolarHBondContact O-CB 3.35Å; I27-S121 PolarHBondContact O-OG 2.9Å | ||
| 28 | N | 97.8 | Very high | 78 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -82.5 | -33.2 | 173.9 | -70.2 | -38.8 | 0 | 0 | 0 | 111.7 | T26 F50 T100 S121 K122 | T26-N28 PolarHBondContact O-N 2.89Å; N28-F50 HydrophobicContact CB-CE2 4.42Å; N28-F50 HydrophobicContact CB-CZ 4.3Å; N28-T100 PolarHBondContact N-O 2.88Å; N28-T100 PolarHBondContact ND2-OG1 3.38Å; N28-S121 WeakPolarHBondContact O-CA 3.49Å; N28-K122 PolarHBondContact O-N 3.37Å |
| 29 | V | 98.8 | Very high | 81 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 125.9 | -176.2 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | I27 L46 F50 S101 V102 K122 V124 L227 | I27-V29 WeakPolarHBondContact CG2-O 3.45Å; V29-L46 HydrophobicContact CB-CD1 4.11Å; V29-L46 HydrophobicContact CB-CD2 4.16Å; V29-L46 HydrophobicContact CG1-CD1 3.78Å; V29-L46 HydrophobicContact CG1-CD2 4.02Å; V29-L46 HydrophobicContact CG2-CD2 4.01Å; V29-F50 HydrophobicContact CG2-CE2 3.67Å; V29-F50 HydrophobicContact CG2-CZ 3.94Å; V29-S101 VanDerWaalsContact O-CA 3.23Å; V29-S101 WeakPolarHBondContact O-CA 3.48Å; V29-S101 WeakPolarHBondContact O-CB 3.32Å; V29-V102 PolarHBondContact O-N 2.7Å; V29-V102 VanDerWaalsContact O-N 3.09Å; V29-K122 CarbonylContact C-O 3.57Å; V29-K122 WeakPolarHBondContact CA-O 3.35Å; V29-V124 HydrophobicContact CG1-CB 4.42Å; V29-V124 HydrophobicContact CG1-CG2 3.78Å; V29-L227 HydrophobicContact CG2-CD1 4.19Å; V29-L227 HydrophobicContact CG2-CD2 3.49Å; V29-L227 VanDerWaalsContact CG2-CD2 3.49Å |
| 30 | I | 98.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.3 | 171.4 | -60.4 | 162.4 | 0 | 0 | 0 | 108.1 | I27 A32 V102 L114 M115 K122 V123 V124 | I27-I30 HydrophobicContact CG2-CG1 3.78Å; I30-A32 PolarHBondContact O-N 3.22Å; I30-V102 HydrophobicContact CG1-CG1 4.41Å; I30-L114 HydrophobicContact CD1-CB 3.63Å; I30-L114 HydrophobicContact CG1-CB 4.15Å; I30-L114 HydrophobicContact CG2-CB 4.44Å; I30-L114 HydrophobicContact CG2-CD1 4.01Å; I30-M115 HydrophobicContact CD1-CG 3.92Å; I30-K122 PolarHBondContact N-O 3.08Å; I30-V123 HydrophobicContact CB-CG2 4.44Å; I30-V123 CarbonylContact O-C 3.49Å; I30-V123 VanDerWaalsContact O-CA 3.28Å; I30-V123 WeakPolarHBondContact O-CA 3.48Å; I30-V124 PolarHBondContact O-N 3.06Å |
| 31 | G | 98.8 | Very high | 86.4 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 105 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G33 V102 V124 | G31-G33 VanDerWaalsContact C-N 3.26Å; G31-G33 PolarHBondContact O-N 3.45Å; G31-V102 WeakPolarHBondContact CA-O 3.47Å; G31-V102 PolarHBondContact N-O 3.04Å; G31-V124 CarbonylContact C-O 3.55Å; G31-V124 WeakPolarHBondContact CA-O 3.5Å |
| 32 | A | 98.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -90.4 | 16.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I30 Y111 V123 V124 L125 Y198 V202 | I30-A32 PolarHBondContact O-N 3.22Å; A32-Y111 HydrophobicContact CB-CG 4.39Å; A32-V123 HydrophobicContact CB-CG1 3.77Å; A32-V124 PolarHBondContact N-O 2.74Å; A32-L125 VanDerWaalsContact O-CD1 3.25Å; A32-L125 WeakPolarHBondContact O-CD1 3.46Å; A32-Y198 VanDerWaalsContact O-CE1 3.27Å; A32-Y198 WeakPolarHBondContact O-CE1 3.39Å; A32-Y198 PolarHBondContact O-OH 3.37Å; A32-V202 HydrophobicContact CB-CG1 3.87Å; A32-V202 HydrophobicContact CB-CG2 4.44Å | ||
| 33 | G | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 138.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G31 T39 C108 T126 | G31-G33 VanDerWaalsContact C-N 3.26Å; G31-G33 PolarHBondContact O-N 3.45Å; G33-T39 WeakPolarHBondContact O-CG2 3.37Å; G33-C108 WeakPolarHBondContact O-CB 3.32Å; G33-T126 WeakPolarHBondContact CA-OG1 3.43Å |
| 34 | L | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 160.1 | 168.2 | -69.9 | 167.2 | 0 | 0 | 0 | 111.6 | R36 T37 T39 W133 L174 A177 F178 F195 Y198 | L34-R36 PolarHBondContact O-N 3.41Å; L34-T37 HydrophobicContact CB-CG2 4.26Å; L34-T37 PolarHBondContact O-N 2.91Å; L34-T37 PolarHBondContact O-OG1 3.04Å; L34-T39 WeakPolarHBondContact O-CG2 3.47Å; L34-W133 HydrophobicContact CD1-CZ2 4.46Å; L34-L174 HydrophobicContact CD2-CD2 4.48Å; L34-A177 HydrophobicContact CD2-CB 4.13Å; L34-F178 HydrophobicContact CD1-CE1 3.71Å; L34-F178 HydrophobicContact CD1-CZ 4.37Å; L34-F178 HydrophobicContact CD2-CE1 3.81Å; L34-F178 HydrophobicContact CD2-CZ 4.31Å; L34-F178 HydrophobicContact CG-CE1 4.43Å; L34-F195 HydrophobicContact CD1-CD2 3.6Å; L34-F195 HydrophobicContact CD1-CE2 4.13Å; L34-Y198 HydrophobicContact CD1-CD1 3.47Å; L34-Y198 VanDerWaalsContact CD1-CD1 3.47Å; L34-Y198 HydrophobicContact CD1-CE1 4.06Å; L34-Y198 HydrophobicContact CD1-CG 3.96Å; L34-Y198 HydrophobicContact CD2-CD1 3.95Å; L34-Y198 HydrophobicContact CD2-CD2 4.42Å; L34-Y198 HydrophobicContact CD2-CE1 3.89Å; L34-Y198 HydrophobicContact CD2-CE2 4.37Å; L34-Y198 HydrophobicContact CD2-CG 4.19Å; L34-Y198 HydrophobicContact CG-CD1 3.48Å; L34-Y198 VanDerWaalsContact CG-CD1 3.48Å; L34-Y198 HydrophobicContact CG-CE1 3.51Å; L34-Y198 HydrophobicContact CG-CG 4.15Å |
| 35 | P | 97 | Very high | 96.2 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.032 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 146.9 | 169.2 | -20.6 | 28.8 | 0 | 0 | 0 | 110.5 | T37 D104 I105 W133 I141 L174 | P35-T37 VanDerWaalsContact C-N 3.29Å; P35-T37 PolarHBondContact O-N 2.73Å; P35-D104 VanDerWaalsContact CG-OD1 3.29Å; P35-D104 WeakPolarHBondContact CG-OD1 3.4Å; P35-I105 HydrophobicContact CG-CD1 4.14Å; P35-I105 HydrophobicContact CG-CG1 4Å; P35-I105 HydrophobicContact CG-CG2 3.86Å; P35-W133 PolarHBondContact O-NE1 3Å; P35-I141 HydrophobicContact CB-CD1 3.84Å; P35-L174 HydrophobicContact CG-CD2 4.03Å |
| 36 | R | 95.4 | Very high | 97.6 | Very high | 31 Ų | 31 | 15.5 Ų | 15.5 | 12% | 0.117 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 11.9 | 177.1 | -44.7 | -53.8 | -55.2 | 164.9 | 3.8 | 116 | L34 R128 S136 L137 T140 I141 N241 | L34-R36 PolarHBondContact O-N 3.41Å; R36-R128 WeakPolarHBondContact O-CD 3.28Å; R36-S136 PolarHBondContact NE-OG 2.93Å; R36-S136 PolarHBondContact NH2-OG 2.8Å; R36-L137 HydrophobicContact CG-CD1 3.91Å; R36-T140 WeakPolarHBondContact CD-OG1 3.39Å; R36-T140 PolarHBondContact NE-OG1 3.06Å; R36-I141 HydrophobicContact CG-CD1 3.97Å; R36-I141 HydrophobicContact CG-CG1 4.28Å; R36-N241 PolarHBondContact NH1-O 3.35Å; R36-N241 PolarHBondContact NH2-O 2.69Å |
| 37 | T | 96.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -99.4 | 4.1 | 171.1 | 66 | 0 | 0 | 0 | 0 | 114.4 | L34 P35 T126 R128 F195 | L34-T37 HydrophobicContact CB-CG2 4.26Å; L34-T37 PolarHBondContact O-N 2.91Å; L34-T37 PolarHBondContact O-OG1 3.04Å; P35-T37 VanDerWaalsContact C-N 3.29Å; P35-T37 PolarHBondContact O-N 2.73Å; T37-T126 WeakPolarHBondContact CB-O 3.27Å; T37-T126 WeakPolarHBondContact O-CB 3.44Å; T37-T126 PolarHBondContact OG1-O 3.06Å; T37-T126 PolarHBondContact OG1-OG1 2.89Å; T37-R128 HydrophobicContact CG2-CB 4.47Å; T37-F195 HydrophobicContact CG2-CE2 3.71Å; T37-F195 HydrophobicContact CG2-CZ 4.23Å |
| 38 | G | 96.2 | Very high | 97.9 | Very high | 17 Ų | 17 | 16.9 Ų | 16.9 | 18% | 0.175 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 109.2 | 15 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S40 S41 L42 | G38-S40 VanDerWaalsContact C-N 3.35Å; G38-S40 PolarHBondContact O-N 3.35Å; G38-S41 PolarHBondContact O-N 3.35Å; G38-L42 PolarHBondContact O-N 3.47Å |
| 39 | T | 97.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 14.7 Ų | 14.7 | 3% | 0.025 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -54.3 | -43.4 | 179.8 | 51 | 0 | 0 | 0 | 0 | 113.4 | G33 L34 L42 K43 D104 | G33-T39 WeakPolarHBondContact O-CG2 3.37Å; L34-T39 WeakPolarHBondContact O-CG2 3.47Å; T39-L42 PolarHBondContact O-N 3.18Å; T39-K43 PolarHBondContact O-N 3.1Å; T39-D104 HydrophobicContact CG2-CB 4.18Å; T39-D104 PolarHBondContact OG1-OD2 3.36Å |
| 40 | S | 96.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 17 Ų | 17 | 12% | 0.119 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 178.9 | -49.7 | 0 | 0 | 0 | 0 | 113 | G38 K43 M44 H56 V240 N241 | G38-S40 VanDerWaalsContact C-N 3.35Å; G38-S40 PolarHBondContact O-N 3.35Å; S40-K43 WeakPolarHBondContact O-CB 3.32Å; S40-K43 PolarHBondContact O-N 3.26Å; S40-M44 PolarHBondContact O-N 2.81Å; S40-H56 WeakPolarHBondContact CA-NE2 3.37Å; S40-H56 PolarHBondContact N-NE2 3.29Å; S40-H56 PolarHBondContact OG-CE1 3.13Å; S40-H56 PolarHBondContact OG-NE2 2.98Å; S40-V240 VanDerWaalsContact C-CG2 3.42Å; S40-N241 WeakPolarHBondContact CB-ND2 3.43Å; S40-N241 PolarHBondContact OG-ND2 3.25Å |
| 41 | S | 97.5 | Very high | 97.7 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 172.8 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | G38 M44 A45 P238 V240 | G38-S41 PolarHBondContact O-N 3.35Å; S41-M44 PolarHBondContact O-N 2.77Å; S41-A45 WeakPolarHBondContact O-CB 3.43Å; S41-A45 PolarHBondContact O-N 3.19Å; S41-P238 WeakPolarHBondContact CB-O 3.47Å; S41-P238 PolarHBondContact OG-O 3.27Å; S41-P238 VanDerWaalsContact OG-O 3.1Å; S41-V240 PolarHBondContact OG-N 2.81Å; S41-V240 VanDerWaalsContact OG-N 3.16Å |
| 42 | L | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.6 | 179.2 | 62.6 | 0 | 0 | 0 | 111.4 | G38 T39 M44 A45 L46 T103 V124 T126 L223 | G38-L42 PolarHBondContact O-N 3.47Å; T39-L42 PolarHBondContact O-N 3.18Å; L42-M44 PolarHBondContact O-N 3.19Å; L42-A45 WeakPolarHBondContact O-CB 3.41Å; L42-A45 PolarHBondContact O-N 2.92Å; L42-A45 VanDerWaalsContact O-N 3.14Å; L42-L46 HydrophobicContact CD1-CD1 3.96Å; L42-L46 HydrophobicContact CD1-CD2 4.22Å; L42-L46 HydrophobicContact CD1-CG 3.89Å; L42-L46 HydrophobicContact CD2-CD1 4.44Å; L42-L46 HydrophobicContact CG-CD1 3.82Å; L42-L46 HydrophobicContact CG-CG 4.19Å; L42-L46 VanDerWaalsContact O-CG 3.25Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.12Å; L42-T103 HydrophobicContact CB-CG2 4.46Å; L42-T103 HydrophobicContact CD2-CG2 3.86Å; L42-T103 HydrophobicContact CG-CG2 4.03Å; L42-V124 HydrophobicContact CD1-CG1 4.25Å; L42-V124 HydrophobicContact CD2-CB 4.02Å; L42-V124 HydrophobicContact CD2-CG1 3.78Å; L42-T126 HydrophobicContact CB-CG2 4.19Å; L42-T126 HydrophobicContact CD2-CG2 3.75Å; L42-L223 HydrophobicContact CD1-CD1 4.13Å; L42-L223 HydrophobicContact CD1-CD2 3.99Å |
| 43 | K | 98.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -51 | -54.3 | 174.5 | -176.9 | -155.9 | -167.3 | -59.6 | 0 | 111.1 | T39 S40 A45 L46 E47 C54 H56 I58 E59 | T39-K43 PolarHBondContact O-N 3.1Å; S40-K43 WeakPolarHBondContact O-CB 3.32Å; S40-K43 PolarHBondContact O-N 3.26Å; K43-A45 VanDerWaalsContact C-N 3.33Å; K43-A45 PolarHBondContact O-N 3.16Å; K43-L46 PolarHBondContact O-N 3.38Å; K43-E47 VanDerWaalsContact NZ-CD 3.29Å; K43-E47 IonicContact NZ-OE1 3.76Å; K43-E47 PolarHBondContact NZ-OE1 2.9Å; K43-E47 IonicContact NZ-OE2 2.89Å; K43-E47 PolarHBondContact NZ-OE2 3.29Å; K43-E47 WeakPolarHBondContact O-CG 3.41Å; K43-E47 PolarHBondContact O-N 2.75Å; K43-C54 HydrophobicContact CB-CB 4.36Å; K43-C54 WeakPolarHBondContact CE-O 3.44Å; K43-C54 HydrophobicContact CG-CB 3.6Å; K43-C54 PolarHBondContact NZ-O 3.14Å; K43-H56 HydrophobicContact CD-CB 3.65Å; K43-H56 HydrophobicContact CG-CB 4.13Å; K43-I58 HydrophobicContact CD-CG2 4.44Å; K43-E59 WeakPolarHBondContact CE-OE1 3.23Å; K43-E59 IonicContact NZ-OE1 3.96Å; K43-E59 PolarHBondContact NZ-OE1 3.45Å |
| 44 | M | 98.2 | Very high | 97.6 | Very high | 79 Ų | 79 | 31.2 Ų | 31.2 | 39% | 0.389 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64 | -38.5 | 179.4 | -69.8 | -175.4 | 70.6 | 0 | 0 | 112.3 | S40 S41 L42 L46 E47 I48 P238 V240 | S40-M44 PolarHBondContact O-N 2.81Å; S41-M44 PolarHBondContact O-N 2.77Å; L42-M44 PolarHBondContact O-N 3.19Å; M44-L46 VanDerWaalsContact C-N 3.34Å; M44-L46 PolarHBondContact O-N 2.82Å; M44-E47 PolarHBondContact O-N 3.42Å; M44-I48 WeakPolarHBondContact O-CD1 3.31Å; M44-I48 VanDerWaalsContact O-CG1 3.3Å; M44-I48 WeakPolarHBondContact O-CG1 3.21Å; M44-I48 PolarHBondContact O-N 3.02Å; M44-P238 HydrophobicContact CB-CB 3.73Å; M44-P238 HydrophobicContact CB-CG 3.78Å; M44-P238 HydrophobicContact SD-CB 4.37Å; M44-V240 HydrophobicContact CE-CG1 4.35Å; M44-V240 HydrophobicContact SD-CB 4.14Å; M44-V240 HydrophobicContact SD-CG1 3.34Å; M44-V240 WeakPolarHBondContact SD-CG1 3.46Å; M44-V240 HydrophobicContact SD-CG2 3.78Å |
| 45 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | S41 L42 K43 I48 L49 W220 L223 Y237 P238 | S41-A45 WeakPolarHBondContact O-CB 3.43Å; S41-A45 PolarHBondContact O-N 3.19Å; L42-A45 WeakPolarHBondContact O-CB 3.41Å; L42-A45 PolarHBondContact O-N 2.92Å; L42-A45 VanDerWaalsContact O-N 3.14Å; K43-A45 VanDerWaalsContact C-N 3.33Å; K43-A45 PolarHBondContact O-N 3.16Å; A45-I48 PolarHBondContact O-N 3.09Å; A45-L49 VanDerWaalsContact O-CG 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.26Å; A45-L49 PolarHBondContact O-N 2.97Å; A45-W220 HydrophobicContact CB-CH2 3.77Å; A45-W220 HydrophobicContact CB-CZ3 3.66Å; A45-L223 HydrophobicContact CB-CD2 4.1Å; A45-Y237 HydrophobicContact CB-CD2 4.36Å; A45-Y237 HydrophobicContact CB-CE2 3.61Å; A45-P238 HydrophobicContact CB-CG 4.31Å |
| 46 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.4 | -37.6 | 177.5 | -64 | 172.7 | 0 | 0 | 0 | 112.1 | V29 L42 K43 M44 I48 L49 F50 T103 L227 | V29-L46 HydrophobicContact CB-CD1 4.11Å; V29-L46 HydrophobicContact CB-CD2 4.16Å; V29-L46 HydrophobicContact CG1-CD1 3.78Å; V29-L46 HydrophobicContact CG1-CD2 4.02Å; V29-L46 HydrophobicContact CG2-CD2 4.01Å; L42-L46 HydrophobicContact CD1-CD1 3.96Å; L42-L46 HydrophobicContact CD1-CD2 4.22Å; L42-L46 HydrophobicContact CD1-CG 3.89Å; L42-L46 HydrophobicContact CD2-CD1 4.44Å; L42-L46 HydrophobicContact CG-CD1 3.82Å; L42-L46 HydrophobicContact CG-CG 4.19Å; L42-L46 VanDerWaalsContact O-CG 3.25Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.12Å; K43-L46 PolarHBondContact O-N 3.38Å; M44-L46 VanDerWaalsContact C-N 3.34Å; M44-L46 PolarHBondContact O-N 2.82Å; L46-I48 VanDerWaalsContact C-N 3.32Å; L46-I48 PolarHBondContact O-N 2.83Å; L46-L49 PolarHBondContact O-N 3.48Å; L46-F50 HydrophobicContact CB-CD2 4.36Å; L46-F50 HydrophobicContact CD2-CD2 4.44Å; L46-F50 HydrophobicContact CD2-CE2 3.91Å; L46-F50 WeakPolarHBondContact O-CB 3.29Å; L46-F50 WeakPolarHBondContact O-CD2 3.28Å; L46-F50 PolarHBondContact O-N 3.25Å; L46-T103 HydrophobicContact CD1-CG2 4.25Å; L46-L227 HydrophobicContact CD2-CD1 3.81Å |
| 47 | E | 98.2 | Very high | 97.7 | Very high | 55 Ų | 55 | 31.1 Ų | 31.1 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.4 | -36.8 | 174.2 | -71.5 | -177.6 | 155.8 | 0 | 0 | 112.3 | K43 M44 H51 Q52 C54 | K43-E47 VanDerWaalsContact NZ-CD 3.29Å; K43-E47 IonicContact NZ-OE1 3.76Å; K43-E47 PolarHBondContact NZ-OE1 2.9Å; K43-E47 IonicContact NZ-OE2 2.89Å; K43-E47 PolarHBondContact NZ-OE2 3.29Å; K43-E47 WeakPolarHBondContact O-CG 3.41Å; K43-E47 PolarHBondContact O-N 2.75Å; M44-E47 PolarHBondContact O-N 3.42Å; E47-H51 VanDerWaalsContact O-CA 3.26Å; E47-H51 WeakPolarHBondContact O-CA 3.46Å; E47-H51 PolarHBondContact O-N 2.84Å; E47-Q52 WeakPolarHBondContact CG-O 3.49Å; E47-C54 HydrophobicContact CG-CB 3.83Å; E47-C54 PolarHBondContact OE1-N 3.16Å |
| 48 | I | 98.2 | Very high | 97.6 | Very high | 47 Ų | 47 | 34.7 Ų | 34.7 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 173.1 | -69.6 | 162.6 | 0 | 0 | 0 | 111.1 | M44 A45 L46 H51 W220 P232 I235 P238 | M44-I48 WeakPolarHBondContact O-CD1 3.31Å; M44-I48 VanDerWaalsContact O-CG1 3.3Å; M44-I48 WeakPolarHBondContact O-CG1 3.21Å; M44-I48 PolarHBondContact O-N 3.02Å; A45-I48 PolarHBondContact O-N 3.09Å; L46-I48 VanDerWaalsContact C-N 3.32Å; L46-I48 PolarHBondContact O-N 2.83Å; I48-H51 PolarHBondContact O-CE1 2.85Å; I48-W220 HydrophobicContact CB-CH2 4.08Å; I48-W220 HydrophobicContact CD1-CH2 4.2Å; I48-W220 HydrophobicContact CD1-CZ2 4.27Å; I48-W220 HydrophobicContact CG2-CH2 3.96Å; I48-W220 HydrophobicContact CG2-CZ2 4.28Å; I48-P232 HydrophobicContact CG2-CB 4.2Å; I48-P232 HydrophobicContact CG2-CG 3.85Å; I48-I235 HydrophobicContact CD1-CG2 4.15Å; I48-I235 HydrophobicContact CG2-CD1 4.36Å; I48-P238 HydrophobicContact CD1-CG 3.67Å |
| 49 | L | 98.2 | Very high | 97.7 | Very high | 24 Ų | 24 | 34.1 Ų | 34.1 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.2 | -39.2 | -176 | -70.9 | 173.7 | 0 | 0 | 0 | 113.2 | A45 L46 W220 L223 L227 V229 P232 | A45-L49 VanDerWaalsContact O-CG 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.26Å; A45-L49 PolarHBondContact O-N 2.97Å; L46-L49 PolarHBondContact O-N 3.48Å; L49-W220 HydrophobicContact CD1-CE3 4.31Å; L49-W220 HydrophobicContact CD1-CZ3 3.79Å; L49-W220 HydrophobicContact CD2-CE3 4.25Å; L49-W220 HydrophobicContact CD2-CZ3 3.88Å; L49-W220 HydrophobicContact CG-CE3 4.39Å; L49-W220 HydrophobicContact CG-CH2 4.37Å; L49-W220 HydrophobicContact CG-CZ3 3.65Å; L49-L223 HydrophobicContact CD1-CD2 3.99Å; L49-L223 HydrophobicContact CD1-CG 4.26Å; L49-L227 HydrophobicContact CD1-CD1 3.96Å; L49-V229 HydrophobicContact CD1-CG2 4.25Å; L49-V229 HydrophobicContact CD2-CG2 3.92Å; L49-P232 HydrophobicContact CD2-CG 3.7Å |
| 50 | F | 96.6 | Very high | 97.6 | Very high | 49 Ų | 49 | 34 Ų | 34 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -101.9 | -10.5 | -174.5 | -63.7 | -51.6 | 0 | 0 | 0 | 114 | N28 V29 L46 Q52 T100 L227 | N28-F50 HydrophobicContact CB-CE2 4.42Å; N28-F50 HydrophobicContact CB-CZ 4.3Å; V29-F50 HydrophobicContact CG2-CE2 3.67Å; V29-F50 HydrophobicContact CG2-CZ 3.94Å; L46-F50 HydrophobicContact CB-CD2 4.36Å; L46-F50 HydrophobicContact CD2-CD2 4.44Å; L46-F50 HydrophobicContact CD2-CE2 3.91Å; L46-F50 WeakPolarHBondContact O-CB 3.29Å; L46-F50 WeakPolarHBondContact O-CD2 3.28Å; L46-F50 PolarHBondContact O-N 3.25Å; F50-Q52 HydrophobicContact CB-CB 4.31Å; F50-Q52 WeakPolarHBondContact O-CG 3.42Å; F50-Q52 PolarHBondContact O-N 2.87Å; F50-Q52 VanDerWaalsContact O-N 3.16Å; F50-T100 HydrophobicContact CB-CG2 3.79Å; F50-T100 HydrophobicContact CD2-CG2 3.86Å; F50-T100 HydrophobicContact CG-CG2 4.09Å; F50-L227 HydrophobicContact CE2-CD1 4.34Å; F50-L227 HydrophobicContact CZ-CD1 4.04Å |
| 51 | H | 96.6 | Very high | 97.4 | Very high | 157 Ų | 157 | 35.5 Ų | 35.5 | 73% | 0.727 | 18% | 0.177 | S | C | * | . | S | Bend | trans | 52.6 | 33.5 | -174.1 | -53.7 | -69.2 | 0 | 0 | 0 | 112.7 | E47 I48 | E47-H51 VanDerWaalsContact O-CA 3.26Å; E47-H51 WeakPolarHBondContact O-CA 3.46Å; E47-H51 PolarHBondContact O-N 2.84Å; I48-H51 PolarHBondContact O-CE1 2.85Å |
| 52 | Q | 97.4 | Very high | 97.2 | Very high | 108 Ų | 108 | 39.5 Ų | 39.5 | 51% | 0.505 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -144.6 | 151 | -175.1 | -72.6 | -60.7 | -38.5 | 0 | 0 | 108.6 | E47 F50 T100 | E47-Q52 WeakPolarHBondContact CG-O 3.49Å; F50-Q52 HydrophobicContact CB-CB 4.31Å; F50-Q52 WeakPolarHBondContact O-CG 3.42Å; F50-Q52 PolarHBondContact O-N 2.87Å; F50-Q52 VanDerWaalsContact O-N 3.16Å; Q52-T100 HydrophobicContact CB-CG2 3.52Å |
| 53 | P | 97.7 | Very high | 96.9 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 24% | 0.24 | 23% | 0.227 | C | C | . | . | trans | -70 | 148 | -170.9 | 29.3 | -34.6 | 0 | 0 | 0 | 112.4 | G98 Y99 T100 | P53-G98 WeakPolarHBondContact CG-O 3.39Å; P53-Y99 HydrophobicContact CB-CD1 3.73Å; P53-Y99 HydrophobicContact CB-CE1 3.9Å; P53-Y99 HydrophobicContact CG-CD1 4Å; P53-Y99 HydrophobicContact CG-CE1 4.4Å; P53-T100 PolarHBondContact O-N 2.96Å | ||
| 54 | C | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.9 | 171.4 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | K43 E47 S101 | K43-C54 HydrophobicContact CB-CB 4.36Å; K43-C54 WeakPolarHBondContact CE-O 3.44Å; K43-C54 HydrophobicContact CG-CB 3.6Å; K43-C54 PolarHBondContact NZ-O 3.14Å; E47-C54 HydrophobicContact CG-CB 3.83Å; E47-C54 PolarHBondContact OE1-N 3.16Å; C54-S101 CarbonylContact C-O 3.6Å; C54-S101 WeakPolarHBondContact CA-O 3.46Å; C54-S101 WeakPolarHBondContact CA-OG 3.38Å; C54-S101 WeakPolarHBondContact CB-OG 3.45Å; C54-S101 PolarHBondContact SG-OG 2.81Å; C54-S101 VanDerWaalsContact SG-OG 3.34Å |
| 55 | Y | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 143.3 | 175.5 | -164.8 | -79.7 | 0 | 0 | 0 | 110.2 | E59 T60 D67 W71 I95 L96 Y99 S101 V102 T103 | Y55-E59 HydrophobicContact CD2-CB 4.46Å; Y55-E59 HydrophobicContact CE2-CB 4.28Å; Y55-T60 WeakPolarHBondContact OH-CG2 3.18Å; Y55-D67 WeakPolarHBondContact CE2-OD2 3.46Å; Y55-D67 VanDerWaalsContact OH-CB 3.26Å; Y55-D67 WeakPolarHBondContact OH-CB 3.39Å; Y55-D67 PolarHBondContact OH-OD2 2.84Å; Y55-W71 HydrophobicContact CE1-CZ2 4.02Å; Y55-W71 AromaticContact CE1-NE1 3.56Å; Y55-W71 AromaticContact CZ-NE1 3.55Å; Y55-W71 PolarHBondContact OH-NE1 2.7Å; Y55-I95 HydrophobicContact CD2-CG2 4.27Å; Y55-I95 HydrophobicContact CE1-CG2 4.26Å; Y55-I95 HydrophobicContact CE2-CG2 3.53Å; Y55-L96 HydrophobicContact CD1-CD2 4.13Å; Y55-L96 HydrophobicContact CD2-CD2 3.88Å; Y55-L96 HydrophobicContact CG-CD2 3.6Å; Y55-Y99 HydrophobicContact CD2-CD1 4.35Å; Y55-Y99 AromaticContact CD2-CD2 3.83Å; Y55-Y99 HydrophobicContact CD2-CD2 3.83Å; Y55-Y99 HydrophobicContact CD2-CE1 4.04Å; Y55-Y99 AromaticContact CD2-CE2 3.51Å; Y55-Y99 HydrophobicContact CD2-CE2 3.51Å; Y55-Y99 HydrophobicContact CD2-CG 4.24Å; Y55-Y99 AromaticContact CD2-CZ 3.6Å; Y55-Y99 HydrophobicContact CE2-CE2 4.17Å; Y55-Y99 HydrophobicContact CG-CE1 4.49Å; Y55-S101 PolarHBondContact N-O 2.84Å; Y55-V102 HydrophobicContact CD1-CG2 4.11Å; Y55-V102 HydrophobicContact CG-CG2 4.39Å; Y55-V102 CarbonylContact O-C 3.6Å; Y55-V102 WeakPolarHBondContact O-CA 3.41Å; Y55-T103 PolarHBondContact O-N 2.92Å; Y55-T103 PolarHBondContact O-OG1 3.02Å |
| 56 | H | 98.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | trans | -160 | 158 | 179 | -175.3 | -62.5 | 0 | 0 | 0 | 108.1 | S40 K43 I58 E59 T103 D104 | S40-H56 WeakPolarHBondContact CA-NE2 3.37Å; S40-H56 PolarHBondContact N-NE2 3.29Å; S40-H56 PolarHBondContact OG-CE1 3.13Å; S40-H56 PolarHBondContact OG-NE2 2.98Å; K43-H56 HydrophobicContact CD-CB 3.65Å; K43-H56 HydrophobicContact CG-CB 4.13Å; H56-I58 HydrophobicContact CB-CG2 4.1Å; H56-I58 PolarHBondContact ND1-N 3.33Å; H56-I58 PolarHBondContact O-N 2.98Å; H56-E59 VanDerWaalsContact O-CB 3.24Å; H56-E59 WeakPolarHBondContact O-CB 3.45Å; H56-E59 VanDerWaalsContact O-CG 3.31Å; H56-E59 WeakPolarHBondContact O-CG 3.47Å; H56-E59 PolarHBondContact O-N 2.9Å; H56-T103 WeakPolarHBondContact CA-O 3.27Å; H56-T103 PolarHBondContact CD2-OG1 3.5Å; H56-T103 VanDerWaalsContact CD2-OG1 3.27Å; H56-D104 IonicContact CD2-OD2 3.5Å; H56-D104 IonicContact CE1-OD2 3.72Å; H56-D104 PolarHBondContact CE1-OD2 3.16Å; H56-D104 IonicContact ND1-OD2 2.62Å; H56-D104 IonicContact NE2-OD2 3.56Å; H56-D104 PolarHBondContact NE2-OD2 2.7Å | ||
| 57 | I | 97 | Very high | 96.5 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -28.9 | 177.1 | -173 | 156.6 | 0 | 0 | 0 | 114.4 | E59 T60 D104 I105 F166 M169 A170 | I57-E59 PolarHBondContact O-N 3.39Å; I57-T60 PolarHBondContact O-N 3.23Å; I57-T60 VanDerWaalsContact O-N 3.12Å; I57-T60 PolarHBondContact O-OG1 2.77Å; I57-D104 HydrophobicContact CG2-CB 4.37Å; I57-I105 HydrophobicContact CB-CG1 4.34Å; I57-I105 WeakPolarHBondContact CB-O 3.25Å; I57-I105 HydrophobicContact CD1-CD1 3.59Å; I57-I105 HydrophobicContact CD1-CG1 3.63Å; I57-F166 HydrophobicContact CD1-CE2 4.01Å; I57-F166 HydrophobicContact CD1-CZ 3.71Å; I57-F166 HydrophobicContact CG1-CE2 3.89Å; I57-F166 HydrophobicContact CG1-CZ 3.9Å; I57-M169 HydrophobicContact CD1-CE 4.17Å; I57-A170 HydrophobicContact CD1-CB 4.45Å |
| 58 | I | 95 | Very high | 96.5 | Very high | 77 Ų | 77 | 54.9 Ų | 54.9 | 40% | 0.395 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26 | 178.6 | -167.1 | 61.3 | 0 | 0 | 0 | 112.1 | K43 H56 T60 V61 T62 | K43-I58 HydrophobicContact CD-CG2 4.44Å; H56-I58 HydrophobicContact CB-CG2 4.1Å; H56-I58 PolarHBondContact ND1-N 3.33Å; H56-I58 PolarHBondContact O-N 2.98Å; I58-T60 VanDerWaalsContact C-N 3.26Å; I58-T60 PolarHBondContact O-N 3.25Å; I58-V61 HydrophobicContact CD1-CB 4.27Å; I58-V61 WeakPolarHBondContact O-CA 3.41Å; I58-V61 WeakPolarHBondContact O-CB 3.44Å; I58-V61 PolarHBondContact O-N 2.57Å; I58-T62 HydrophobicContact CD1-CG2 4.08Å; I58-T62 HydrophobicContact CG1-CG2 3.9Å; I58-T62 PolarHBondContact O-N 2.79Å; I58-T62 PolarHBondContact O-OG1 3.39Å |
| 59 | E | 96.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.023 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -30.4 | 177.2 | -57.4 | -61 | 163.8 | 0 | 0 | 112 | K43 Y55 H56 I57 V61 K63 N64 Y99 | K43-E59 WeakPolarHBondContact CE-OE1 3.23Å; K43-E59 IonicContact NZ-OE1 3.96Å; K43-E59 PolarHBondContact NZ-OE1 3.45Å; Y55-E59 HydrophobicContact CD2-CB 4.46Å; Y55-E59 HydrophobicContact CE2-CB 4.28Å; H56-E59 VanDerWaalsContact O-CB 3.24Å; H56-E59 WeakPolarHBondContact O-CB 3.45Å; H56-E59 VanDerWaalsContact O-CG 3.31Å; H56-E59 WeakPolarHBondContact O-CG 3.47Å; H56-E59 PolarHBondContact O-N 2.9Å; I57-E59 PolarHBondContact O-N 3.39Å; E59-V61 PolarHBondContact O-N 2.86Å; E59-K63 VanDerWaalsContact CD-NZ 3.27Å; E59-K63 PolarHBondContact O-N 2.86Å; E59-K63 IonicContact OE1-NZ 3.49Å; E59-K63 PolarHBondContact OE1-NZ 2.93Å; E59-K63 VanDerWaalsContact OE1-NZ 3.16Å; E59-K63 WeakPolarHBondContact OE2-CD 3.28Å; E59-K63 WeakPolarHBondContact OE2-CE 3.32Å; E59-K63 VanDerWaalsContact OE2-CG 3.23Å; E59-K63 WeakPolarHBondContact OE2-CG 3.42Å; E59-K63 IonicContact OE2-NZ 3.36Å; E59-K63 PolarHBondContact OE2-NZ 3.35Å; E59-N64 PolarHBondContact O-N 3.09Å; E59-Y99 HydrophobicContact CG-CE1 4.3Å |
| 60 | T | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.4 | -14.7 | 173.4 | 79 | 0 | 0 | 0 | 0 | 112.4 | Y55 I57 I58 Y65 D67 F166 | Y55-T60 WeakPolarHBondContact OH-CG2 3.18Å; I57-T60 PolarHBondContact O-N 3.23Å; I57-T60 VanDerWaalsContact O-N 3.12Å; I57-T60 PolarHBondContact O-OG1 2.77Å; I58-T60 VanDerWaalsContact C-N 3.26Å; I58-T60 PolarHBondContact O-N 3.25Å; T60-Y65 WeakPolarHBondContact O-CA 3.42Å; T60-D67 HydrophobicContact CG2-CB 3.98Å; T60-F166 WeakPolarHBondContact OG1-CE2 3Å |
| 61 | V | 92.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -99.6 | -39.4 | 177.8 | -176 | 0 | 0 | 0 | 0 | 110.5 | I58 E59 L162 F166 | I58-V61 HydrophobicContact CD1-CB 4.27Å; I58-V61 WeakPolarHBondContact O-CA 3.41Å; I58-V61 WeakPolarHBondContact O-CB 3.44Å; I58-V61 PolarHBondContact O-N 2.57Å; E59-V61 PolarHBondContact O-N 2.86Å; V61-L162 HydrophobicContact CB-CD2 4.47Å; V61-L162 HydrophobicContact CG1-CD2 4Å; V61-L162 HydrophobicContact CG2-CD2 3.62Å; V61-F166 HydrophobicContact CG2-CD2 4.28Å; V61-F166 HydrophobicContact CG2-CE2 3.62Å; V61-F166 HydrophobicContact CG2-CZ 4.11Å |
| 62 | T | 92.7 | Very high | 96.7 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -99.8 | -24.1 | -170 | 58 | 0 | 0 | 0 | 0 | 114.9 | I58 | I58-T62 HydrophobicContact CD1-CG2 4.08Å; I58-T62 HydrophobicContact CG1-CG2 3.9Å; I58-T62 PolarHBondContact O-N 2.79Å; I58-T62 PolarHBondContact O-OG1 3.39Å |
| 63 | K | 92.9 | Very high | 96.7 | Very high | 128 Ų | 128 | 49.3 Ų | 49.3 | 56% | 0.557 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | -51 | -173.8 | -65.1 | -163.8 | -166.6 | 130.6 | 0 | 113.4 | E59 | E59-K63 VanDerWaalsContact CD-NZ 3.27Å; E59-K63 PolarHBondContact O-N 2.86Å; E59-K63 IonicContact OE1-NZ 3.49Å; E59-K63 PolarHBondContact OE1-NZ 2.93Å; E59-K63 VanDerWaalsContact OE1-NZ 3.16Å; E59-K63 WeakPolarHBondContact OE2-CD 3.28Å; E59-K63 WeakPolarHBondContact OE2-CE 3.32Å; E59-K63 VanDerWaalsContact OE2-CG 3.23Å; E59-K63 WeakPolarHBondContact OE2-CG 3.42Å; E59-K63 IonicContact OE2-NZ 3.36Å; E59-K63 PolarHBondContact OE2-NZ 3.35Å |
| 64 | N | 93.8 | Very high | 96.8 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 31% | 0.31 | 23% | 0.228 | S | C | . | . | trans | -138.6 | 82.2 | -170.7 | -167.4 | 8.1 | 0 | 0 | 0 | 112.4 | E59 Y66 D67 | E59-N64 PolarHBondContact O-N 3.09Å; N64-Y66 PolarHBondContact O-N 2.86Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.48Å; N64-Y66 PolarHBondContact OD1-N 3.36Å; N64-D67 VanDerWaalsContact ND2-CG 3.33Å; N64-D67 PolarHBondContact ND2-OD1 3.02Å; N64-D67 PolarHBondContact ND2-OD2 3.49Å; N64-D67 WeakPolarHBondContact O-CB 3.33Å; N64-D67 PolarHBondContact O-N 2.95Å; N64-D67 VanDerWaalsContact O-N 3.09Å | ||
| 65 | Y | 95.5 | Very high | 96.8 | Very high | 83 Ų | 83 | 47.8 Ų | 47.8 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.3 | 177 | -177 | -90 | 0 | 0 | 0 | 113.3 | T60 D67 V68 D163 | T60-Y65 WeakPolarHBondContact O-CA 3.42Å; Y65-D67 PolarHBondContact O-N 3.14Å; Y65-D67 VanDerWaalsContact O-N 3.1Å; Y65-V68 HydrophobicContact CD2-CG2 4.07Å; Y65-V68 HydrophobicContact CE2-CG2 3.89Å; Y65-V68 WeakPolarHBondContact O-CB 3.46Å; Y65-V68 WeakPolarHBondContact O-CG2 3.25Å; Y65-V68 PolarHBondContact O-N 3.33Å; Y65-D163 PolarHBondContact OH-OD1 2.9Å; Y65-D163 PolarHBondContact OH-OD2 3.44Å |
| 66 | Y | 96.8 | Very high | 96.8 | Very high | 196 Ų | 196 | 51.6 Ų | 51.6 | 77% | 0.769 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.8 | -21.6 | 175.4 | -64.9 | -73.9 | 0 | 0 | 0 | 113.6 | N64 V68 G69 R70 | N64-Y66 PolarHBondContact O-N 2.86Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.48Å; N64-Y66 PolarHBondContact OD1-N 3.36Å; Y66-V68 PolarHBondContact O-N 2.88Å; Y66-G69 PolarHBondContact O-N 3.32Å; Y66-R70 PolarHBondContact O-N 2.99Å |
| 67 | D | 98.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -24.5 | 176.6 | -69.7 | -11.7 | 0 | 0 | 0 | 112.4 | Y55 T60 N64 Y65 G69 R70 W71 | Y55-D67 WeakPolarHBondContact CE2-OD2 3.46Å; Y55-D67 VanDerWaalsContact OH-CB 3.26Å; Y55-D67 WeakPolarHBondContact OH-CB 3.39Å; Y55-D67 PolarHBondContact OH-OD2 2.84Å; T60-D67 HydrophobicContact CG2-CB 3.98Å; N64-D67 VanDerWaalsContact ND2-CG 3.33Å; N64-D67 PolarHBondContact ND2-OD1 3.02Å; N64-D67 PolarHBondContact ND2-OD2 3.49Å; N64-D67 WeakPolarHBondContact O-CB 3.33Å; N64-D67 PolarHBondContact O-N 2.95Å; N64-D67 VanDerWaalsContact O-N 3.09Å; Y65-D67 PolarHBondContact O-N 3.14Å; Y65-D67 VanDerWaalsContact O-N 3.1Å; D67-G69 VanDerWaalsContact C-N 3.34Å; D67-G69 PolarHBondContact O-N 3.34Å; D67-R70 PolarHBondContact O-N 3.39Å; D67-W71 WeakPolarHBondContact O-CB 3.43Å; D67-W71 PolarHBondContact O-N 3.04Å |
| 68 | V | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56 | -51.1 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | Y65 Y66 R70 Q72 E165 F166 M169 | Y65-V68 HydrophobicContact CD2-CG2 4.07Å; Y65-V68 HydrophobicContact CE2-CG2 3.89Å; Y65-V68 WeakPolarHBondContact O-CB 3.46Å; Y65-V68 WeakPolarHBondContact O-CG2 3.25Å; Y65-V68 PolarHBondContact O-N 3.33Å; Y66-V68 PolarHBondContact O-N 2.88Å; V68-R70 PolarHBondContact O-N 3.34Å; V68-Q72 WeakPolarHBondContact O-CB 3.23Å; V68-Q72 PolarHBondContact O-N 3.07Å; V68-E165 HydrophobicContact CG1-CB 4.08Å; V68-F166 HydrophobicContact CG1-CB 4.38Å; V68-F166 HydrophobicContact CG2-CB 4.45Å; V68-F166 HydrophobicContact CG2-CD2 3.97Å; V68-M169 HydrophobicContact CG1-CB 4.07Å; V68-M169 HydrophobicContact CG1-CE 4.47Å; V68-M169 HydrophobicContact CG1-CG 4.49Å; V68-M169 HydrophobicContact CG2-CE 4.24Å |
| 69 | G | 98.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y66 D67 Q72 Q73 | Y66-G69 PolarHBondContact O-N 3.32Å; D67-G69 VanDerWaalsContact C-N 3.34Å; D67-G69 PolarHBondContact O-N 3.34Å; G69-Q72 PolarHBondContact O-N 3.29Å; G69-Q73 VanDerWaalsContact O-CG 3.3Å; G69-Q73 WeakPolarHBondContact O-CG 3.48Å; G69-Q73 PolarHBondContact O-N 3.43Å |
| 70 | R | 98.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 56.7 Ų | 56.7 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.3 | -46.5 | 178.1 | -66.3 | -55.6 | -164.8 | 109.1 | 7.6 | 112.1 | Y66 D67 V68 Q72 Q73 L74 E94 I95 | Y66-R70 PolarHBondContact O-N 2.99Å; D67-R70 PolarHBondContact O-N 3.39Å; V68-R70 PolarHBondContact O-N 3.34Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 PolarHBondContact O-N 2.88Å; R70-Q73 WeakPolarHBondContact O-CB 3.32Å; R70-Q73 PolarHBondContact O-N 2.97Å; R70-Q73 VanDerWaalsContact O-N 3.12Å; R70-L74 WeakPolarHBondContact O-CG 3.35Å; R70-L74 PolarHBondContact O-N 3.06Å; R70-E94 IonicContact CZ-OE2 2.93Å; R70-E94 IonicContact NH1-OE2 2.82Å; R70-E94 PolarHBondContact NH1-OE2 2.87Å; R70-E94 IonicContact NH2-OE2 3.59Å; R70-I95 HydrophobicContact CB-CD1 3.89Å; R70-I95 HydrophobicContact CB-CG1 4.15Å |
| 71 | W | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -42 | 173.4 | -81 | 120.7 | 0 | 0 | 0 | 112 | Y55 D67 Q73 L74 L75 L92 I95 P106 A107 F110 M169 | Y55-W71 HydrophobicContact CE1-CZ2 4.02Å; Y55-W71 AromaticContact CE1-NE1 3.56Å; Y55-W71 AromaticContact CZ-NE1 3.55Å; Y55-W71 PolarHBondContact OH-NE1 2.7Å; D67-W71 WeakPolarHBondContact O-CB 3.43Å; D67-W71 PolarHBondContact O-N 3.04Å; W71-Q73 VanDerWaalsContact C-N 3.3Å; W71-Q73 PolarHBondContact O-N 3.04Å; W71-L74 HydrophobicContact CE3-CD1 3.98Å; W71-L74 HydrophobicContact CZ3-CD1 4.04Å; W71-L74 PolarHBondContact O-N 3.37Å; W71-L75 WeakPolarHBondContact O-CB 3.48Å; W71-L75 VanDerWaalsContact O-CG 3.32Å; W71-L75 WeakPolarHBondContact O-CG 3.49Å; W71-L75 PolarHBondContact O-N 3.44Å; W71-L92 HydrophobicContact CH2-CD2 3.62Å; W71-L92 HydrophobicContact CZ3-CD2 3.56Å; W71-I95 HydrophobicContact CD2-CD1 3.77Å; W71-I95 HydrophobicContact CE3-CD1 4.17Å; W71-I95 HydrophobicContact CG-CD1 4.1Å; W71-I95 HydrophobicContact CZ2-CD1 4.18Å; W71-I95 HydrophobicContact CZ2-CG2 3.69Å; W71-P106 HydrophobicContact CB-CB 4.43Å; W71-P106 HydrophobicContact CB-CG 3.81Å; W71-P106 HydrophobicContact CD2-CB 3.75Å; W71-P106 HydrophobicContact CD2-CG 3.62Å; W71-P106 HydrophobicContact CE3-CB 3.61Å; W71-P106 HydrophobicContact CE3-CG 4.03Å; W71-P106 HydrophobicContact CG-CB 4.14Å; W71-P106 HydrophobicContact CG-CG 3.52Å; W71-P106 HydrophobicContact CZ3-CB 4.12Å; W71-A107 HydrophobicContact CH2-CB 4.03Å; W71-A107 HydrophobicContact CZ2-CB 4.35Å; W71-F110 HydrophobicContact CE3-CD2 4.26Å; W71-F110 HydrophobicContact CE3-CE2 4.07Å; W71-F110 AromaticContact CZ3-CD2 3.71Å; W71-F110 HydrophobicContact CZ3-CD2 3.71Å; W71-F110 AromaticContact CZ3-CE2 3.96Å; W71-F110 HydrophobicContact CZ3-CE2 3.96Å; W71-F110 HydrophobicContact CZ3-CG 4.32Å; W71-M169 HydrophobicContact CB-CG 3.98Å; W71-M169 HydrophobicContact CB-SD 4.43Å |
| 72 | Q | 98.7 | Very high | 96.5 | Very high | 24 Ų | 24 | 69.3 Ų | 69.3 | 11% | 0.112 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 175.5 | -174.5 | 65.9 | 76.7 | 0 | 0 | 112.4 | V68 G69 R70 L75 N76 D172 | V68-Q72 WeakPolarHBondContact O-CB 3.23Å; V68-Q72 PolarHBondContact O-N 3.07Å; G69-Q72 PolarHBondContact O-N 3.29Å; R70-Q72 VanDerWaalsContact C-N 3.3Å; R70-Q72 PolarHBondContact O-N 2.88Å; Q72-L75 PolarHBondContact O-N 3.05Å; Q72-N76 PolarHBondContact NE2-OD1 2.97Å; Q72-N76 WeakPolarHBondContact O-CB 3.3Å; Q72-N76 PolarHBondContact O-N 2.98Å; Q72-N76 PolarHBondContact O-ND2 2.73Å; Q72-N76 PolarHBondContact O-OD1 2.81Å; Q72-D172 PolarHBondContact NE2-OD2 2.93Å; Q72-D172 PolarHBondContact OE1-OD2 3.21Å |
| 73 | Q | 98.4 | Very high | 96.7 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 49% | 0.486 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 173.7 | -71.5 | 167.7 | 13.8 | 0 | 0 | 111.6 | G69 R70 W71 N76 E77 | G69-Q73 VanDerWaalsContact O-CG 3.3Å; G69-Q73 WeakPolarHBondContact O-CG 3.48Å; G69-Q73 PolarHBondContact O-N 3.43Å; R70-Q73 WeakPolarHBondContact O-CB 3.32Å; R70-Q73 PolarHBondContact O-N 2.97Å; R70-Q73 VanDerWaalsContact O-N 3.12Å; W71-Q73 VanDerWaalsContact C-N 3.3Å; W71-Q73 PolarHBondContact O-N 3.04Å; Q73-N76 PolarHBondContact O-N 3.49Å; Q73-E77 WeakPolarHBondContact O-CB 3.37Å; Q73-E77 PolarHBondContact O-N 3.49Å |
| 74 | L | 98.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.7 | -64.5 | -171.8 | 0 | 0 | 0 | 112.2 | R70 W71 N76 E77 V78 M87 L92 I95 F110 | R70-L74 WeakPolarHBondContact O-CG 3.35Å; R70-L74 PolarHBondContact O-N 3.06Å; W71-L74 HydrophobicContact CE3-CD1 3.98Å; W71-L74 HydrophobicContact CZ3-CD1 4.04Å; W71-L74 PolarHBondContact O-N 3.37Å; L74-N76 VanDerWaalsContact C-N 3.28Å; L74-N76 PolarHBondContact O-N 3.37Å; L74-E77 PolarHBondContact O-N 2.98Å; L74-E77 VanDerWaalsContact O-N 3.16Å; L74-V78 WeakPolarHBondContact O-CG1 3.48Å; L74-V78 PolarHBondContact O-N 3.4Å; L74-M87 HydrophobicContact CD2-CE 3.9Å; L74-L92 HydrophobicContact CD1-CD2 3.92Å; L74-L92 HydrophobicContact CD1-CG 4.14Å; L74-I95 HydrophobicContact CD1-CD1 3.78Å; L74-F110 HydrophobicContact CB-CE1 4.25Å; L74-F110 HydrophobicContact CB-CZ 3.84Å |
| 75 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.9 | -40 | 175.7 | -73 | 164.6 | 0 | 0 | 0 | 111.5 | W71 Q72 V78 Q79 F110 M169 D172 F176 | W71-L75 WeakPolarHBondContact O-CB 3.48Å; W71-L75 VanDerWaalsContact O-CG 3.32Å; W71-L75 WeakPolarHBondContact O-CG 3.49Å; W71-L75 PolarHBondContact O-N 3.44Å; Q72-L75 PolarHBondContact O-N 3.05Å; L75-V78 WeakPolarHBondContact O-CG1 3.49Å; L75-Q79 WeakPolarHBondContact O-CG 3.11Å; L75-Q79 PolarHBondContact O-NE2 3.13Å; L75-F110 HydrophobicContact CD2-CE2 3.69Å; L75-F110 HydrophobicContact CD2-CZ 4.04Å; L75-F110 HydrophobicContact CG-CE2 4.08Å; L75-F110 HydrophobicContact CG-CZ 4.27Å; L75-M169 HydrophobicContact CD1-CG 4.3Å; L75-D172 HydrophobicContact CD1-CB 4.05Å; L75-F176 HydrophobicContact CD2-CB 3.65Å; L75-F176 HydrophobicContact CD2-CD1 3.66Å; L75-F176 HydrophobicContact CD2-CG 3.83Å |
| 76 | N | 97.8 | Very high | 97.1 | Very high | 80 Ų | 80 | 65 Ų | 65 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 176.7 | -67.8 | -15 | 0 | 0 | 0 | 112.3 | Q72 Q73 L74 K80 | Q72-N76 PolarHBondContact NE2-OD1 2.97Å; Q72-N76 WeakPolarHBondContact O-CB 3.3Å; Q72-N76 PolarHBondContact O-N 2.98Å; Q72-N76 PolarHBondContact O-ND2 2.73Å; Q72-N76 PolarHBondContact O-OD1 2.81Å; Q73-N76 PolarHBondContact O-N 3.49Å; L74-N76 VanDerWaalsContact C-N 3.28Å; L74-N76 PolarHBondContact O-N 3.37Å; N76-K80 WeakPolarHBondContact O-CG 3.38Å |
| 77 | E | 98.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.2 | -45.5 | -178.3 | -171.3 | 61.9 | -138.3 | 0 | 0 | 112.4 | Q73 L74 Q79 K80 S83 N84 M87 I88 | Q73-E77 WeakPolarHBondContact O-CB 3.37Å; Q73-E77 PolarHBondContact O-N 3.49Å; L74-E77 PolarHBondContact O-N 2.98Å; L74-E77 VanDerWaalsContact O-N 3.16Å; E77-Q79 PolarHBondContact O-N 3.36Å; E77-K80 WeakPolarHBondContact O-CB 3.14Å; E77-K80 PolarHBondContact O-N 3.13Å; E77-K80 IonicContact OE1-NZ 2.71Å; E77-K80 WeakPolarHBondContact OE2-CE 3.47Å; E77-K80 IonicContact OE2-NZ 3.18Å; E77-K80 PolarHBondContact OE2-NZ 2.93Å; E77-S83 WeakPolarHBondContact O-CB 3.32Å; E77-N84 HydrophobicContact CG-CB 4.19Å; E77-N84 VanDerWaalsContact OE1-CB 3.27Å; E77-N84 WeakPolarHBondContact OE1-CB 3.25Å; E77-N84 PolarHBondContact OE1-N 3.09Å; E77-M87 HydrophobicContact CB-CE 3.47Å; E77-M87 VanDerWaalsContact CB-CE 3.47Å; E77-M87 HydrophobicContact CB-SD 4.3Å; E77-M87 HydrophobicContact CG-CE 3.66Å; E77-M87 HydrophobicContact CG-SD 3.9Å; E77-I88 HydrophobicContact CB-CG1 4.22Å; E77-I88 HydrophobicContact CG-CD1 4.16Å; E77-I88 HydrophobicContact CG-CG1 3.94Å |
| 78 | V | 96.7 | Very high | 97.1 | Very high | 25 Ų | 25 | 58 Ų | 58 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -21.8 | -177.9 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | L74 L75 I88 F110 F176 | L74-V78 WeakPolarHBondContact O-CG1 3.48Å; L74-V78 PolarHBondContact O-N 3.4Å; L75-V78 WeakPolarHBondContact O-CG1 3.49Å; V78-I88 HydrophobicContact CB-CD1 3.82Å; V78-I88 HydrophobicContact CG2-CD1 4.05Å; V78-F110 HydrophobicContact CB-CE1 3.92Å; V78-F110 HydrophobicContact CB-CZ 4.42Å; V78-F110 HydrophobicContact CG1-CE1 3.83Å; V78-F110 HydrophobicContact CG1-CZ 3.86Å; V78-F110 HydrophobicContact CG2-CE1 4.16Å; V78-F176 HydrophobicContact CB-CE2 4.34Å; V78-F176 HydrophobicContact CB-CZ 4.32Å; V78-F176 HydrophobicContact CG1-CD2 3.91Å; V78-F176 HydrophobicContact CG1-CE1 4.18Å; V78-F176 HydrophobicContact CG1-CE2 3.45Å; V78-F176 VanDerWaalsContact CG1-CE2 3.45Å; V78-F176 HydrophobicContact CG1-CG 4.47Å; V78-F176 HydrophobicContact CG1-CZ 3.61Å; V78-F176 HydrophobicContact CG2-CE2 3.9Å; V78-F176 HydrophobicContact CG2-CZ 3.76Å |
| 79 | Q | 93.6 | Very high | 97.1 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4.2 | 177.3 | -69.9 | 178.9 | 84.1 | 0 | 0 | 113.7 | L75 E77 F176 H181 | L75-Q79 WeakPolarHBondContact O-CG 3.11Å; L75-Q79 PolarHBondContact O-NE2 3.13Å; E77-Q79 PolarHBondContact O-N 3.36Å; Q79-F176 HydrophobicContact CG-CD2 4.46Å; Q79-H181 PolarHBondContact OE1-CE1 3.29Å; Q79-H181 PolarHBondContact OE1-ND1 3.04Å |
| 80 | K | 95.8 | Very high | 97.1 | Very high | 109 Ų | 109 | 64.5 Ų | 64.5 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -76.8 | 145.3 | 177.9 | -66.2 | 175.2 | -173.9 | 172 | 0 | 110.8 | N76 E77 N82 S83 | N76-K80 WeakPolarHBondContact O-CG 3.38Å; E77-K80 WeakPolarHBondContact O-CB 3.14Å; E77-K80 PolarHBondContact O-N 3.13Å; E77-K80 IonicContact OE1-NZ 2.71Å; E77-K80 WeakPolarHBondContact OE2-CE 3.47Å; E77-K80 IonicContact OE2-NZ 3.18Å; E77-K80 PolarHBondContact OE2-NZ 2.93Å; K80-N82 PolarHBondContact O-N 3.29Å; K80-S83 PolarHBondContact O-N 2.79Å |
| 81 | I | 93.3 | Very high | 97.1 | Very high | 171 Ų | 171 | 59.7 Ų | 59.7 | 88% | 0.877 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.9 | 173.1 | -63.7 | 173.3 | 0 | 0 | 0 | 111.4 | ||
| 82 | N | 94.6 | Very high | 97.1 | Very high | 143 Ų | 143 | 59.7 Ų | 59.7 | 77% | 0.765 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 65 | 174.6 | -62.3 | -36.7 | 0 | 0 | 0 | 109.3 | K80 N84 | K80-N82 PolarHBondContact O-N 3.29Å; N82-N84 PolarHBondContact O-N 2.96Å |
| 83 | S | 94.9 | Very high | 97 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | trans | -57.5 | 136.6 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 111.2 | E77 K80 D85 | E77-S83 WeakPolarHBondContact O-CB 3.32Å; K80-S83 PolarHBondContact O-N 2.79Å; S83-D85 PolarHBondContact O-N 2.71Å; S83-D85 PolarHBondContact OG-OD1 2.71Å | ||
| 84 | N | 97.2 | Very high | 96.9 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 43% | 0.428 | 32% | 0.321 | S | S | . | . | trans | -85.8 | 88.5 | 171.1 | -172.9 | -13.7 | 0 | 0 | 0 | 110.2 | E77 N82 T86 M87 I88 | E77-N84 HydrophobicContact CG-CB 4.19Å; E77-N84 VanDerWaalsContact OE1-CB 3.27Å; E77-N84 WeakPolarHBondContact OE1-CB 3.25Å; E77-N84 PolarHBondContact OE1-N 3.09Å; N82-N84 PolarHBondContact O-N 2.96Å; N84-T86 PolarHBondContact O-N 2.82Å; N84-T86 WeakPolarHBondContact OD1-CB 3.3Å; N84-T86 PolarHBondContact OD1-N 3.29Å; N84-M87 HydrophobicContact CB-CB 3.95Å; N84-M87 WeakPolarHBondContact O-CB 3.21Å; N84-M87 PolarHBondContact O-N 2.88Å; N84-M87 PolarHBondContact OD1-N 3.25Å; N84-M87 VanDerWaalsContact OD1-N 3.17Å; N84-I88 PolarHBondContact O-N 3.22Å; N84-I88 VanDerWaalsContact O-N 3.08Å | ||
| 85 | D | 96.9 | Very high | 96.8 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -51.8 | -39.7 | 177.5 | -84.9 | 28 | 0 | 0 | 0 | 112.7 | S83 M87 I88 Y89 R116 | S83-D85 PolarHBondContact O-N 2.71Å; S83-D85 PolarHBondContact OG-OD1 2.71Å; D85-M87 PolarHBondContact O-N 2.89Å; D85-I88 PolarHBondContact O-N 3.46Å; D85-Y89 HydrophobicContact CB-CD2 4.45Å; D85-Y89 HydrophobicContact CB-CE2 3.79Å; D85-Y89 WeakPolarHBondContact O-CB 3.27Å; D85-Y89 VanDerWaalsContact O-CD2 3.25Å; D85-Y89 WeakPolarHBondContact O-CD2 3.41Å; D85-Y89 PolarHBondContact O-N 2.95Å; D85-Y89 PolarHBondContact OD2-OH 3.19Å; D85-R116 IonicContact OD2-NH1 3.76Å; D85-R116 PolarHBondContact OD2-NH1 2.84Å |
| 86 | T | 97.5 | Very high | 96.8 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | N84 I88 Y89 E90 | N84-T86 PolarHBondContact O-N 2.82Å; N84-T86 WeakPolarHBondContact OD1-CB 3.3Å; N84-T86 PolarHBondContact OD1-N 3.29Å; T86-I88 VanDerWaalsContact C-N 3.27Å; T86-I88 PolarHBondContact O-N 2.88Å; T86-Y89 PolarHBondContact O-N 3.3Å; T86-E90 HydrophobicContact CG2-CG 4.31Å; T86-E90 WeakPolarHBondContact O-CB 3.24Å; T86-E90 WeakPolarHBondContact O-CG 3.25Å; T86-E90 PolarHBondContact O-N 3.37Å |
| 87 | M | 97.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 29% | 0.286 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 177.1 | -168.9 | -157 | 103.4 | 0 | 0 | 111.5 | L74 E77 N84 D85 G91 | L74-M87 HydrophobicContact CD2-CE 3.9Å; E77-M87 HydrophobicContact CB-CE 3.47Å; E77-M87 VanDerWaalsContact CB-CE 3.47Å; E77-M87 HydrophobicContact CB-SD 4.3Å; E77-M87 HydrophobicContact CG-CE 3.66Å; E77-M87 HydrophobicContact CG-SD 3.9Å; N84-M87 HydrophobicContact CB-CB 3.95Å; N84-M87 WeakPolarHBondContact O-CB 3.21Å; N84-M87 PolarHBondContact O-N 2.88Å; N84-M87 PolarHBondContact OD1-N 3.25Å; N84-M87 VanDerWaalsContact OD1-N 3.17Å; D85-M87 PolarHBondContact O-N 2.89Å; M87-G91 PolarHBondContact O-N 3.16Å |
| 88 | I | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -49.5 | 177.6 | -64.2 | 165.4 | 0 | 0 | 0 | 110.2 | E77 V78 N84 D85 T86 G91 L92 F110 E113 | E77-I88 HydrophobicContact CB-CG1 4.22Å; E77-I88 HydrophobicContact CG-CD1 4.16Å; E77-I88 HydrophobicContact CG-CG1 3.94Å; V78-I88 HydrophobicContact CB-CD1 3.82Å; V78-I88 HydrophobicContact CG2-CD1 4.05Å; N84-I88 PolarHBondContact O-N 3.22Å; N84-I88 VanDerWaalsContact O-N 3.08Å; D85-I88 PolarHBondContact O-N 3.46Å; T86-I88 VanDerWaalsContact C-N 3.27Å; T86-I88 PolarHBondContact O-N 2.88Å; I88-G91 PolarHBondContact O-N 3.5Å; I88-L92 HydrophobicContact CG2-CD1 3.97Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CB 3.48Å; I88-L92 VanDerWaalsContact O-CG 3.25Å; I88-L92 WeakPolarHBondContact O-CG 3.49Å; I88-L92 PolarHBondContact O-N 3.23Å; I88-F110 HydrophobicContact CG2-CD1 4.35Å; I88-F110 HydrophobicContact CG2-CE1 4.24Å; I88-E113 HydrophobicContact CG2-CB 4.35Å; I88-E113 HydrophobicContact CG2-CG 4.1Å |
| 89 | Y | 97.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | -178.4 | -59.3 | -21.4 | 0 | 0 | 0 | 112.7 | D85 T86 N93 E113 R116 V117 | D85-Y89 HydrophobicContact CB-CD2 4.45Å; D85-Y89 HydrophobicContact CB-CE2 3.79Å; D85-Y89 WeakPolarHBondContact O-CB 3.27Å; D85-Y89 VanDerWaalsContact O-CD2 3.25Å; D85-Y89 WeakPolarHBondContact O-CD2 3.41Å; D85-Y89 PolarHBondContact O-N 2.95Å; D85-Y89 PolarHBondContact OD2-OH 3.19Å; T86-Y89 PolarHBondContact O-N 3.3Å; Y89-N93 PolarHBondContact O-N 3.17Å; Y89-N93 VanDerWaalsContact O-N 3.09Å; Y89-N93 PolarHBondContact O-ND2 3.43Å; Y89-E113 HydrophobicContact CE1-CB 4.14Å; Y89-E113 HydrophobicContact CE1-CG 4.33Å; Y89-R116 HydrophobicContact CE1-CB 4.42Å; Y89-R116 WeakPolarHBondContact OH-CD 3.27Å; Y89-R116 PolarHBondContact OH-NH1 3.36Å; Y89-V117 HydrophobicContact CD1-CG2 3.42Å; Y89-V117 VanDerWaalsContact CD1-CG2 3.42Å; Y89-V117 HydrophobicContact CE1-CG2 4.29Å; Y89-V117 HydrophobicContact CG-CG2 3.67Å |
| 90 | E | 97.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 61.9 Ų | 61.9 | 52% | 0.523 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 173.9 | -73.2 | 175.4 | 168.8 | 0 | 0 | 111 | T86 L92 N93 E94 | T86-E90 HydrophobicContact CG2-CG 4.31Å; T86-E90 WeakPolarHBondContact O-CB 3.24Å; T86-E90 WeakPolarHBondContact O-CG 3.25Å; T86-E90 PolarHBondContact O-N 3.37Å; E90-L92 PolarHBondContact O-N 3.36Å; E90-N93 PolarHBondContact O-N 3.09Å; E90-E94 WeakPolarHBondContact O-CG 3.41Å; E90-E94 PolarHBondContact O-N 2.84Å |
| 91 | G | 97.9 | Very high | 97 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M87 I88 E94 I95 | M87-G91 PolarHBondContact O-N 3.16Å; I88-G91 PolarHBondContact O-N 3.5Å; G91-E94 PolarHBondContact O-N 3.27Å; G91-I95 VanDerWaalsContact O-CG1 3.28Å; G91-I95 WeakPolarHBondContact O-CG1 3.33Å; G91-I95 PolarHBondContact O-N 2.85Å |
| 92 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 172.6 | -71.5 | 173.5 | 0 | 0 | 0 | 111.4 | W71 L74 I88 E90 L96 F110 E113 L114 V117 | W71-L92 HydrophobicContact CH2-CD2 3.62Å; W71-L92 HydrophobicContact CZ3-CD2 3.56Å; L74-L92 HydrophobicContact CD1-CD2 3.92Å; L74-L92 HydrophobicContact CD1-CG 4.14Å; I88-L92 HydrophobicContact CG2-CD1 3.97Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CB 3.48Å; I88-L92 VanDerWaalsContact O-CG 3.25Å; I88-L92 WeakPolarHBondContact O-CG 3.49Å; I88-L92 PolarHBondContact O-N 3.23Å; E90-L92 PolarHBondContact O-N 3.36Å; L92-L96 VanDerWaalsContact O-CB 3.25Å; L92-L96 WeakPolarHBondContact O-CB 3.42Å; L92-L96 VanDerWaalsContact O-CG 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.29Å; L92-L96 PolarHBondContact O-N 3.07Å; L92-L96 VanDerWaalsContact O-N 3.07Å; L92-F110 HydrophobicContact CD2-CB 4.32Å; L92-F110 HydrophobicContact CD2-CD1 4.48Å; L92-F110 HydrophobicContact CD2-CG 4.33Å; L92-E113 HydrophobicContact CD1-CB 3.76Å; L92-L114 HydrophobicContact CB-CD2 4.41Å; L92-L114 HydrophobicContact CD1-CD2 4.13Å; L92-L114 HydrophobicContact CD1-CG 4.37Å; L92-L114 HydrophobicContact CD2-CD2 4.08Å; L92-L114 HydrophobicContact CG-CD2 4.44Å; L92-V117 HydrophobicContact CD1-CG2 4.35Å |
| 93 | N | 97.1 | Very high | 97.4 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.5 | -79.5 | -51.6 | 0 | 0 | 0 | 112.4 | Y89 E90 L96 D97 V117 Y118 | Y89-N93 PolarHBondContact O-N 3.17Å; Y89-N93 VanDerWaalsContact O-N 3.09Å; Y89-N93 PolarHBondContact O-ND2 3.43Å; E90-N93 PolarHBondContact O-N 3.09Å; N93-L96 PolarHBondContact O-N 3.1Å; N93-D97 PolarHBondContact O-N 3.17Å; N93-V117 WeakPolarHBondContact ND2-CG1 3.23Å; N93-V117 WeakPolarHBondContact OD1-CG1 3.26Å; N93-Y118 PolarHBondContact OD1-OH 2.97Å |
| 94 | E | 96.2 | Very high | 97.6 | Very high | 111 Ų | 111 | 40 Ų | 40 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 177.9 | -75.6 | -179.5 | -171.5 | 0 | 0 | 112.1 | R70 E90 G91 L96 | R70-E94 IonicContact CZ-OE2 2.93Å; R70-E94 IonicContact NH1-OE2 2.82Å; R70-E94 PolarHBondContact NH1-OE2 2.87Å; R70-E94 IonicContact NH2-OE2 3.59Å; E90-E94 WeakPolarHBondContact O-CG 3.41Å; E90-E94 PolarHBondContact O-N 2.84Å; G91-E94 PolarHBondContact O-N 3.27Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-L96 PolarHBondContact O-N 3.16Å |
| 95 | I | 97.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.2 | -37.2 | -179.4 | -67.2 | 168.5 | 0 | 0 | 0 | 111.2 | Y55 R70 W71 L74 G91 | Y55-I95 HydrophobicContact CD2-CG2 4.27Å; Y55-I95 HydrophobicContact CE1-CG2 4.26Å; Y55-I95 HydrophobicContact CE2-CG2 3.53Å; R70-I95 HydrophobicContact CB-CD1 3.89Å; R70-I95 HydrophobicContact CB-CG1 4.15Å; W71-I95 HydrophobicContact CD2-CD1 3.77Å; W71-I95 HydrophobicContact CE3-CD1 4.17Å; W71-I95 HydrophobicContact CG-CD1 4.1Å; W71-I95 HydrophobicContact CZ2-CD1 4.18Å; W71-I95 HydrophobicContact CZ2-CG2 3.69Å; L74-I95 HydrophobicContact CD1-CD1 3.78Å; G91-I95 VanDerWaalsContact O-CG1 3.28Å; G91-I95 WeakPolarHBondContact O-CG1 3.33Å; G91-I95 PolarHBondContact O-N 2.85Å |
| 96 | L | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -93.9 | 4.2 | -173.8 | -61.9 | 178.9 | 0 | 0 | 0 | 113.9 | I27 Y55 L92 N93 E94 G98 Y99 V102 L114 Y118 | I27-L96 HydrophobicContact CD1-CB 4.22Å; I27-L96 HydrophobicContact CD1-CD1 4.31Å; I27-L96 HydrophobicContact CG1-CB 4.48Å; I27-L96 HydrophobicContact CG1-CD1 4.12Å; Y55-L96 HydrophobicContact CD1-CD2 4.13Å; Y55-L96 HydrophobicContact CD2-CD2 3.88Å; Y55-L96 HydrophobicContact CG-CD2 3.6Å; L92-L96 VanDerWaalsContact O-CB 3.25Å; L92-L96 WeakPolarHBondContact O-CB 3.42Å; L92-L96 VanDerWaalsContact O-CG 3.27Å; L92-L96 WeakPolarHBondContact O-CG 3.29Å; L92-L96 PolarHBondContact O-N 3.07Å; L92-L96 VanDerWaalsContact O-N 3.07Å; N93-L96 PolarHBondContact O-N 3.1Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-L96 PolarHBondContact O-N 3.16Å; L96-G98 PolarHBondContact O-N 3.38Å; L96-Y99 WeakPolarHBondContact O-CB 3.4Å; L96-Y99 PolarHBondContact O-N 3.41Å; L96-V102 HydrophobicContact CD1-CB 4.47Å; L96-V102 HydrophobicContact CD1-CG1 4.37Å; L96-V102 HydrophobicContact CD2-CB 4Å; L96-V102 HydrophobicContact CD2-CG2 3.86Å; L96-L114 HydrophobicContact CD1-CD2 3.44Å; L96-L114 VanDerWaalsContact CD1-CD2 3.44Å; L96-Y118 HydrophobicContact CD1-CE2 4.03Å |
| 97 | D | 95.7 | Very high | 97.8 | Very high | 107 Ų | 107 | 29.8 Ų | 29.8 | 57% | 0.572 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 132.9 | 172.5 | -176.3 | 37 | 0 | 0 | 0 | 110.8 | T25 N93 Y99 | T25-D97 PolarHBondContact OG1-OD1 3.42Å; N93-D97 PolarHBondContact O-N 3.17Å; D97-Y99 VanDerWaalsContact C-N 3.33Å; D97-Y99 WeakPolarHBondContact O-CD2 3.25Å |
| 98 | G | 95.7 | Very high | 97.9 | Very high | 33 Ų | 33 | 27 Ų | 27 | 34% | 0.34 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -10.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | P53 L96 | P53-G98 WeakPolarHBondContact CG-O 3.39Å; L96-G98 PolarHBondContact O-N 3.38Å |
| 99 | Y | 97.9 | Very high | 97.9 | Very high | 26 Ų | 26 | 27.3 Ų | 27.3 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | trans | -101.1 | 149.1 | -178.8 | -62.9 | -89.8 | 0 | 0 | 0 | 112.5 | P53 Y55 E59 L96 D97 | P53-Y99 HydrophobicContact CB-CD1 3.73Å; P53-Y99 HydrophobicContact CB-CE1 3.9Å; P53-Y99 HydrophobicContact CG-CD1 4Å; P53-Y99 HydrophobicContact CG-CE1 4.4Å; Y55-Y99 HydrophobicContact CD2-CD1 4.35Å; Y55-Y99 AromaticContact CD2-CD2 3.83Å; Y55-Y99 HydrophobicContact CD2-CD2 3.83Å; Y55-Y99 HydrophobicContact CD2-CE1 4.04Å; Y55-Y99 AromaticContact CD2-CE2 3.51Å; Y55-Y99 HydrophobicContact CD2-CE2 3.51Å; Y55-Y99 HydrophobicContact CD2-CG 4.24Å; Y55-Y99 AromaticContact CD2-CZ 3.6Å; Y55-Y99 HydrophobicContact CE2-CE2 4.17Å; Y55-Y99 HydrophobicContact CG-CE1 4.49Å; E59-Y99 HydrophobicContact CG-CE1 4.3Å; L96-Y99 WeakPolarHBondContact O-CB 3.4Å; L96-Y99 PolarHBondContact O-N 3.41Å; D97-Y99 VanDerWaalsContact C-N 3.33Å; D97-Y99 WeakPolarHBondContact O-CD2 3.25Å | ||
| 100 | T | 97.8 | Very high | 97.9 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 9% | 0.092 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -106.4 | -10 | 173.9 | -158.4 | 0 | 0 | 0 | 0 | 113.1 | T26 I27 N28 F50 Q52 P53 | T26-T100 WeakPolarHBondContact O-CA 3.23Å; I27-T100 CarbonylContact C-O 3.53Å; I27-T100 WeakPolarHBondContact CA-O 3.25Å; N28-T100 PolarHBondContact N-O 2.88Å; N28-T100 PolarHBondContact ND2-OG1 3.38Å; F50-T100 HydrophobicContact CB-CG2 3.79Å; F50-T100 HydrophobicContact CD2-CG2 3.86Å; F50-T100 HydrophobicContact CG-CG2 4.09Å; Q52-T100 HydrophobicContact CB-CG2 3.52Å; P53-T100 PolarHBondContact O-N 2.96Å |
| 101 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 161.1 | -179.3 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | V29 C54 Y55 | V29-S101 VanDerWaalsContact O-CA 3.23Å; V29-S101 WeakPolarHBondContact O-CA 3.48Å; V29-S101 WeakPolarHBondContact O-CB 3.32Å; C54-S101 CarbonylContact C-O 3.6Å; C54-S101 WeakPolarHBondContact CA-O 3.46Å; C54-S101 WeakPolarHBondContact CA-OG 3.38Å; C54-S101 WeakPolarHBondContact CB-OG 3.45Å; C54-S101 PolarHBondContact SG-OG 2.81Å; C54-S101 VanDerWaalsContact SG-OG 3.34Å; Y55-S101 PolarHBondContact N-O 2.84Å |
| 102 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 143.1 | -179.3 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | I27 V29 I30 G31 Y55 L96 A107 L114 | I27-V102 HydrophobicContact CG2-CG1 4.1Å; V29-V102 PolarHBondContact O-N 2.7Å; V29-V102 VanDerWaalsContact O-N 3.09Å; I30-V102 HydrophobicContact CG1-CG1 4.41Å; G31-V102 WeakPolarHBondContact CA-O 3.47Å; G31-V102 PolarHBondContact N-O 3.04Å; Y55-V102 HydrophobicContact CD1-CG2 4.11Å; Y55-V102 HydrophobicContact CG-CG2 4.39Å; Y55-V102 CarbonylContact O-C 3.6Å; Y55-V102 WeakPolarHBondContact O-CA 3.41Å; L96-V102 HydrophobicContact CD1-CB 4.47Å; L96-V102 HydrophobicContact CD1-CG1 4.37Å; L96-V102 HydrophobicContact CD2-CB 4Å; L96-V102 HydrophobicContact CD2-CG2 3.86Å; V102-A107 HydrophobicContact CB-CB 4.48Å; V102-A107 HydrophobicContact CG2-CB 3.18Å; V102-L114 HydrophobicContact CG1-CD1 4.03Å |
| 103 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -145.7 | 164.9 | -178.6 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | L42 L46 Y55 H56 | L42-T103 HydrophobicContact CB-CG2 4.46Å; L42-T103 HydrophobicContact CD2-CG2 3.86Å; L42-T103 HydrophobicContact CG-CG2 4.03Å; L46-T103 HydrophobicContact CD1-CG2 4.25Å; Y55-T103 PolarHBondContact O-N 2.92Å; Y55-T103 PolarHBondContact O-OG1 3.02Å; H56-T103 WeakPolarHBondContact CA-O 3.27Å; H56-T103 PolarHBondContact CD2-OG1 3.5Å; H56-T103 VanDerWaalsContact CD2-OG1 3.27Å | ||
| 104 | D | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 5% | 0.048 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 67.1 | -178 | 174.7 | -142.6 | -39.3 | 0 | 0 | 0 | 113.8 | P35 T39 H56 I57 A107 C108 | P35-D104 VanDerWaalsContact CG-OD1 3.29Å; P35-D104 WeakPolarHBondContact CG-OD1 3.4Å; T39-D104 HydrophobicContact CG2-CB 4.18Å; T39-D104 PolarHBondContact OG1-OD2 3.36Å; H56-D104 IonicContact CD2-OD2 3.5Å; H56-D104 IonicContact CE1-OD2 3.72Å; H56-D104 PolarHBondContact CE1-OD2 3.16Å; H56-D104 IonicContact ND1-OD2 2.62Å; H56-D104 IonicContact NE2-OD2 3.56Å; H56-D104 PolarHBondContact NE2-OD2 2.7Å; I57-D104 HydrophobicContact CG2-CB 4.37Å; D104-A107 PolarHBondContact O-N 3.49Å; D104-C108 PolarHBondContact O-N 2.8Å |
| 105 | I | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 5% | 0.046 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 153 | 169.5 | 55.7 | 169.9 | 0 | 0 | 0 | 110.7 | P35 I57 A107 C108 A170 L174 | P35-I105 HydrophobicContact CG-CD1 4.14Å; P35-I105 HydrophobicContact CG-CG1 4Å; P35-I105 HydrophobicContact CG-CG2 3.86Å; I57-I105 HydrophobicContact CB-CG1 4.34Å; I57-I105 WeakPolarHBondContact CB-O 3.25Å; I57-I105 HydrophobicContact CD1-CD1 3.59Å; I57-I105 HydrophobicContact CD1-CG1 3.63Å; I105-A107 VanDerWaalsContact C-N 3.31Å; I105-C108 VanDerWaalsContact CG2-SG 3.57Å; I105-A170 HydrophobicContact CD1-CB 4.08Å; I105-L174 HydrophobicContact CG2-CD2 4.26Å |
| 106 | P | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -76.8 | -16.7 | -6.6 | -22.8 | 40.3 | 0 | 0 | 0 | 113.6 | W71 C108 G109 F110 M169 S173 | W71-P106 HydrophobicContact CB-CB 4.43Å; W71-P106 HydrophobicContact CB-CG 3.81Å; W71-P106 HydrophobicContact CD2-CB 3.75Å; W71-P106 HydrophobicContact CD2-CG 3.62Å; W71-P106 HydrophobicContact CE3-CB 3.61Å; W71-P106 HydrophobicContact CE3-CG 4.03Å; W71-P106 HydrophobicContact CG-CB 4.14Å; W71-P106 HydrophobicContact CG-CG 3.52Å; W71-P106 HydrophobicContact CZ3-CB 4.12Å; P106-C108 VanDerWaalsContact C-N 3.27Å; P106-C108 PolarHBondContact O-N 2.66Å; P106-C108 VanDerWaalsContact O-N 3.16Å; P106-G109 PolarHBondContact O-N 2.94Å; P106-F110 HydrophobicContact CB-CE2 4.46Å; P106-F110 WeakPolarHBondContact O-CD2 3.42Å; P106-M169 HydrophobicContact CG-CG 4.39Å; P106-M169 HydrophobicContact CG-SD 3.36Å; P106-M169 WeakPolarHBondContact CG-SD 3.25Å; P106-S173 VanDerWaalsContact CB-OG 3.25Å; P106-S173 WeakPolarHBondContact CB-OG 3.38Å; P106-S173 VanDerWaalsContact CG-OG 3.28Å; P106-S173 WeakPolarHBondContact CG-OG 3.3Å |
| 107 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | W71 V102 D104 I105 G109 F110 Y111 L114 | W71-A107 HydrophobicContact CH2-CB 4.03Å; W71-A107 HydrophobicContact CZ2-CB 4.35Å; V102-A107 HydrophobicContact CB-CB 4.48Å; V102-A107 HydrophobicContact CG2-CB 3.18Å; D104-A107 PolarHBondContact O-N 3.49Å; I105-A107 VanDerWaalsContact C-N 3.31Å; A107-G109 PolarHBondContact O-N 3.47Å; A107-F110 CarbonylContact O-C 3.45Å; A107-F110 WeakPolarHBondContact O-CA 3.11Å; A107-F110 PolarHBondContact O-N 3.19Å; A107-Y111 PolarHBondContact O-N 3.33Å; A107-L114 HydrophobicContact CB-CD1 4.1Å; A107-L114 WeakPolarHBondContact O-CD1 3.24Å |
| 108 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.5 | 177.1 | 75 | 0 | 0 | 0 | 0 | 112.7 | G33 D104 I105 P106 Y111 Y198 | G33-C108 WeakPolarHBondContact O-CB 3.32Å; D104-C108 PolarHBondContact O-N 2.8Å; I105-C108 VanDerWaalsContact CG2-SG 3.57Å; P106-C108 VanDerWaalsContact C-N 3.27Å; P106-C108 PolarHBondContact O-N 2.66Å; P106-C108 VanDerWaalsContact O-N 3.16Å; C108-Y111 VanDerWaalsContact O-CD1 3.26Å; C108-Y111 WeakPolarHBondContact O-CD1 3.2Å; C108-Y198 WeakPolarHBondContact CB-OH 3.33Å; C108-Y198 PolarHBondContact O-OH 3.23Å |
| 109 | G | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 7% | 0.072 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -32.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P106 A107 Y111 F176 | P106-G109 PolarHBondContact O-N 2.94Å; A107-G109 PolarHBondContact O-N 3.47Å; G109-Y111 VanDerWaalsContact C-N 3.32Å; G109-Y111 PolarHBondContact O-N 3.3Å; G109-F176 WeakPolarHBondContact O-CE1 3.43Å |
| 110 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 16 | -178.4 | -72.4 | -86.8 | 0 | 0 | 0 | 114 | W71 L74 L75 V78 I88 L92 P106 A107 K112 E113 L114 F176 | W71-F110 HydrophobicContact CE3-CD2 4.26Å; W71-F110 HydrophobicContact CE3-CE2 4.07Å; W71-F110 AromaticContact CZ3-CD2 3.71Å; W71-F110 HydrophobicContact CZ3-CD2 3.71Å; W71-F110 AromaticContact CZ3-CE2 3.96Å; W71-F110 HydrophobicContact CZ3-CE2 3.96Å; W71-F110 HydrophobicContact CZ3-CG 4.32Å; L74-F110 HydrophobicContact CB-CE1 4.25Å; L74-F110 HydrophobicContact CB-CZ 3.84Å; L75-F110 HydrophobicContact CD2-CE2 3.69Å; L75-F110 HydrophobicContact CD2-CZ 4.04Å; L75-F110 HydrophobicContact CG-CE2 4.08Å; L75-F110 HydrophobicContact CG-CZ 4.27Å; V78-F110 HydrophobicContact CB-CE1 3.92Å; V78-F110 HydrophobicContact CB-CZ 4.42Å; V78-F110 HydrophobicContact CG1-CE1 3.83Å; V78-F110 HydrophobicContact CG1-CZ 3.86Å; V78-F110 HydrophobicContact CG2-CE1 4.16Å; I88-F110 HydrophobicContact CG2-CD1 4.35Å; I88-F110 HydrophobicContact CG2-CE1 4.24Å; L92-F110 HydrophobicContact CD2-CB 4.32Å; L92-F110 HydrophobicContact CD2-CD1 4.48Å; L92-F110 HydrophobicContact CD2-CG 4.33Å; P106-F110 HydrophobicContact CB-CE2 4.46Å; P106-F110 WeakPolarHBondContact O-CD2 3.42Å; A107-F110 CarbonylContact O-C 3.45Å; A107-F110 WeakPolarHBondContact O-CA 3.11Å; A107-F110 PolarHBondContact O-N 3.19Å; F110-K112 PolarHBondContact O-N 3.07Å; F110-K112 VanDerWaalsContact O-N 3.13Å; F110-E113 WeakPolarHBondContact CA-OE2 3.36Å; F110-E113 HydrophobicContact CD1-CB 4.34Å; F110-E113 HydrophobicContact CD1-CG 4.22Å; F110-E113 PolarHBondContact O-N 2.73Å; F110-E113 VanDerWaalsContact O-N 3.13Å; F110-L114 HydrophobicContact CB-CD1 4.37Å; F110-L114 HydrophobicContact CB-CG 4.35Å; F110-L114 WeakPolarHBondContact O-CB 3.34Å; F110-L114 VanDerWaalsContact O-CG 3.29Å; F110-L114 WeakPolarHBondContact O-CG 3.47Å; F110-L114 PolarHBondContact O-N 3.13Å; F110-F176 AromaticContact CD1-CE1 3.96Å; F110-F176 HydrophobicContact CD1-CE1 3.96Å; F110-F176 HydrophobicContact CD1-CZ 4.33Å; F110-F176 HydrophobicContact CD2-CD1 4.19Å; F110-F176 AromaticContact CD2-CE1 3.72Å; F110-F176 HydrophobicContact CD2-CE1 3.72Å; F110-F176 AromaticContact CE1-CE1 3.95Å; F110-F176 HydrophobicContact CE1-CE1 3.95Å; F110-F176 HydrophobicContact CE1-CZ 4.24Å; F110-F176 AromaticContact CE2-CD1 3.93Å; F110-F176 HydrophobicContact CE2-CD1 3.93Å; F110-F176 AromaticContact CE2-CE1 3.71Å; F110-F176 HydrophobicContact CE2-CE1 3.71Å; F110-F176 AromaticContact CG-CE1 3.85Å; F110-F176 HydrophobicContact CG-CE1 3.85Å; F110-F176 HydrophobicContact CZ-CD1 4.25Å; F110-F176 AromaticContact CZ-CE1 3.82Å; F110-F176 HydrophobicContact CZ-CE1 3.82Å; F110-F176 HydrophobicContact CZ-CZ 4.42Å |
| 111 | Y | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -31.7 | -173 | 73.4 | -81.5 | 0 | 0 | 0 | 113.1 | A32 A107 C108 G109 M115 M201 V202 S205 V206 | A32-Y111 HydrophobicContact CB-CG 4.39Å; A107-Y111 PolarHBondContact O-N 3.33Å; C108-Y111 VanDerWaalsContact O-CD1 3.26Å; C108-Y111 WeakPolarHBondContact O-CD1 3.2Å; G109-Y111 VanDerWaalsContact C-N 3.32Å; G109-Y111 PolarHBondContact O-N 3.3Å; Y111-M115 HydrophobicContact CD2-SD 4.31Å; Y111-M115 WeakPolarHBondContact O-CB 3.4Å; Y111-M115 WeakPolarHBondContact O-CG 3.21Å; Y111-M115 PolarHBondContact O-N 2.94Å; Y111-M201 HydrophobicContact CE1-CE 4.33Å; Y111-V202 HydrophobicContact CD1-CG2 4.4Å; Y111-V202 HydrophobicContact CE1-CG2 3.87Å; Y111-V202 HydrophobicContact CE2-CG1 4.48Å; Y111-V202 HydrophobicContact CE2-CG2 4.33Å; Y111-S205 VanDerWaalsContact CE2-OG 3.24Å; Y111-S205 WeakPolarHBondContact CE2-OG 3.06Å; Y111-S205 PolarHBondContact OH-OG 3.43Å; Y111-V206 HydrophobicContact CD2-CG2 3.92Å; Y111-V206 HydrophobicContact CE2-CG2 3.81Å |
| 112 | K | 98.1 | Very high | 98.1 | Very high | 76 Ų | 76 | 33 Ų | 33 | 33% | 0.33 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -69.8 | -45.5 | 177 | -65 | -178 | -173.2 | 171.1 | 0 | 111.3 | F110 M115 R116 | F110-K112 PolarHBondContact O-N 3.07Å; F110-K112 VanDerWaalsContact O-N 3.13Å; K112-M115 PolarHBondContact O-N 3.34Å; K112-R116 WeakPolarHBondContact O-CG 3.49Å; K112-R116 PolarHBondContact O-N 3.35Å; K112-R116 VanDerWaalsContact O-N 3.13Å |
| 113 | E | 98.3 | Very high | 98.1 | Very high | 27 Ų | 27 | 33 Ų | 33 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.6 | -66.2 | 65.9 | -144.7 | 0 | 0 | 109.9 | I88 Y89 L92 F110 M115 R116 V117 | I88-E113 HydrophobicContact CG2-CB 4.35Å; I88-E113 HydrophobicContact CG2-CG 4.1Å; Y89-E113 HydrophobicContact CE1-CB 4.14Å; Y89-E113 HydrophobicContact CE1-CG 4.33Å; L92-E113 HydrophobicContact CD1-CB 3.76Å; F110-E113 WeakPolarHBondContact CA-OE2 3.36Å; F110-E113 HydrophobicContact CD1-CB 4.34Å; F110-E113 HydrophobicContact CD1-CG 4.22Å; F110-E113 PolarHBondContact O-N 2.73Å; F110-E113 VanDerWaalsContact O-N 3.13Å; E113-M115 VanDerWaalsContact C-N 3.3Å; E113-M115 PolarHBondContact O-N 2.81Å; E113-R116 WeakPolarHBondContact O-CA 3.18Å; E113-R116 WeakPolarHBondContact O-CB 3.47Å; E113-R116 PolarHBondContact O-N 3.25Å; E113-V117 WeakPolarHBondContact O-CG2 3.35Å; E113-V117 PolarHBondContact O-N 3.36Å |
| 114 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 174.3 | -71.1 | 169.5 | 0 | 0 | 0 | 112 | I30 L92 L96 V102 A107 F110 R116 V117 Y118 | I30-L114 HydrophobicContact CD1-CB 3.63Å; I30-L114 HydrophobicContact CG1-CB 4.15Å; I30-L114 HydrophobicContact CG2-CB 4.44Å; I30-L114 HydrophobicContact CG2-CD1 4.01Å; L92-L114 HydrophobicContact CB-CD2 4.41Å; L92-L114 HydrophobicContact CD1-CD2 4.13Å; L92-L114 HydrophobicContact CD1-CG 4.37Å; L92-L114 HydrophobicContact CD2-CD2 4.08Å; L92-L114 HydrophobicContact CG-CD2 4.44Å; L96-L114 HydrophobicContact CD1-CD2 3.44Å; L96-L114 VanDerWaalsContact CD1-CD2 3.44Å; V102-L114 HydrophobicContact CG1-CD1 4.03Å; A107-L114 HydrophobicContact CB-CD1 4.1Å; A107-L114 WeakPolarHBondContact O-CD1 3.24Å; F110-L114 HydrophobicContact CB-CD1 4.37Å; F110-L114 HydrophobicContact CB-CG 4.35Å; F110-L114 WeakPolarHBondContact O-CB 3.34Å; F110-L114 VanDerWaalsContact O-CG 3.29Å; F110-L114 WeakPolarHBondContact O-CG 3.47Å; F110-L114 PolarHBondContact O-N 3.13Å; L114-R116 VanDerWaalsContact C-N 3.27Å; L114-R116 PolarHBondContact O-N 2.94Å; L114-V117 PolarHBondContact O-N 3.49Å; L114-Y118 HydrophobicContact CD2-CD2 4.16Å; L114-Y118 HydrophobicContact CD2-CE2 3.88Å; L114-Y118 WeakPolarHBondContact O-CA 3.38Å; L114-Y118 WeakPolarHBondContact O-CB 3.32Å; L114-Y118 WeakPolarHBondContact O-CD2 3.06Å; L114-Y118 PolarHBondContact O-N 2.85Å |
| 115 | M | 98 | Very high | 98.1 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.7 | -23.9 | 174.4 | -77.4 | 173.2 | 65.7 | 0 | 0 | 113.6 | I30 Y111 K112 E113 Y118 P119 V123 V206 | I30-M115 HydrophobicContact CD1-CG 3.92Å; Y111-M115 HydrophobicContact CD2-SD 4.31Å; Y111-M115 WeakPolarHBondContact O-CB 3.4Å; Y111-M115 WeakPolarHBondContact O-CG 3.21Å; Y111-M115 PolarHBondContact O-N 2.94Å; K112-M115 PolarHBondContact O-N 3.34Å; E113-M115 VanDerWaalsContact C-N 3.3Å; E113-M115 PolarHBondContact O-N 2.81Å; M115-Y118 CarbonylContact O-C 3.6Å; M115-P119 WeakPolarHBondContact O-CA 3.42Å; M115-V123 HydrophobicContact CG-CG2 3.99Å; M115-V123 HydrophobicContact SD-CG2 3.76Å; M115-V206 HydrophobicContact CE-CG1 4.09Å; M115-V206 HydrophobicContact SD-CG1 4.21Å; M115-V206 HydrophobicContact SD-CG2 3.9Å |
| 116 | R | 97 | Very high | 98.2 | Very high | 150 Ų | 150 | 32.3 Ų | 32.3 | 57% | 0.566 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -78.4 | -43.7 | 172.6 | -67.6 | 174.7 | -176.8 | 179.6 | 2.1 | 111.2 | D85 Y89 K112 E113 L114 | D85-R116 IonicContact OD2-NH1 3.76Å; D85-R116 PolarHBondContact OD2-NH1 2.84Å; Y89-R116 HydrophobicContact CE1-CB 4.42Å; Y89-R116 WeakPolarHBondContact OH-CD 3.27Å; Y89-R116 PolarHBondContact OH-NH1 3.36Å; K112-R116 WeakPolarHBondContact O-CG 3.49Å; K112-R116 PolarHBondContact O-N 3.35Å; K112-R116 VanDerWaalsContact O-N 3.13Å; E113-R116 WeakPolarHBondContact O-CA 3.18Å; E113-R116 WeakPolarHBondContact O-CB 3.47Å; E113-R116 PolarHBondContact O-N 3.25Å; L114-R116 VanDerWaalsContact C-N 3.27Å; L114-R116 PolarHBondContact O-N 2.94Å |
| 117 | V | 97.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | Y89 L92 N93 E113 L114 P119 | Y89-V117 HydrophobicContact CD1-CG2 3.42Å; Y89-V117 VanDerWaalsContact CD1-CG2 3.42Å; Y89-V117 HydrophobicContact CE1-CG2 4.29Å; Y89-V117 HydrophobicContact CG-CG2 3.67Å; L92-V117 HydrophobicContact CD1-CG2 4.35Å; N93-V117 WeakPolarHBondContact ND2-CG1 3.23Å; N93-V117 WeakPolarHBondContact OD1-CG1 3.26Å; E113-V117 WeakPolarHBondContact O-CG2 3.35Å; E113-V117 PolarHBondContact O-N 3.36Å; L114-V117 PolarHBondContact O-N 3.49Å; V117-P119 VanDerWaalsContact O-CD 3.29Å; V117-P119 WeakPolarHBondContact O-CD 3.18Å |
| 118 | Y | 97.3 | Very high | 98 | Very high | 10 Ų | 10 | 36 Ų | 36 | 4% | 0.039 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -120.1 | 78.7 | -178.5 | -49.7 | -70.3 | 0 | 0 | 0 | 110.5 | I27 N93 L96 L114 M115 Y120 S121 R210 | I27-Y118 HydrophobicContact CB-CD1 4.14Å; I27-Y118 HydrophobicContact CB-CD2 3.69Å; I27-Y118 HydrophobicContact CB-CE1 4.41Å; I27-Y118 HydrophobicContact CB-CE2 3.98Å; I27-Y118 HydrophobicContact CB-CG 3.77Å; I27-Y118 HydrophobicContact CG1-CD1 4.32Å; I27-Y118 HydrophobicContact CG1-CD2 3.76Å; I27-Y118 HydrophobicContact CG1-CE1 4.09Å; I27-Y118 HydrophobicContact CG1-CE2 3.47Å; I27-Y118 VanDerWaalsContact CG1-CE2 3.47Å; I27-Y118 HydrophobicContact CG1-CG 4.17Å; I27-Y118 HydrophobicContact CG2-CD2 4.44Å; N93-Y118 PolarHBondContact OD1-OH 2.97Å; L96-Y118 HydrophobicContact CD1-CE2 4.03Å; L114-Y118 HydrophobicContact CD2-CD2 4.16Å; L114-Y118 HydrophobicContact CD2-CE2 3.88Å; L114-Y118 WeakPolarHBondContact O-CA 3.38Å; L114-Y118 WeakPolarHBondContact O-CB 3.32Å; L114-Y118 WeakPolarHBondContact O-CD2 3.06Å; L114-Y118 PolarHBondContact O-N 2.85Å; M115-Y118 CarbonylContact O-C 3.6Å; Y118-Y120 PolarHBondContact O-N 3.24Å; Y118-Y120 VanDerWaalsContact O-N 3.09Å; Y118-S121 WeakPolarHBondContact CB-OG 3.36Å; Y118-S121 PolarHBondContact O-N 3.02Å; Y118-S121 VanDerWaalsContact O-N 3.16Å; Y118-S121 PolarHBondContact O-OG 3.16Å; Y118-S121 VanDerWaalsContact O-OG 3.12Å; Y118-R210 PolarHBondContact O-NH2 3.44Å |
| 119 | P | 96.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 40.1 Ų | 40.1 | 44% | 0.435 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18 | -171.1 | 24.4 | -34.8 | 0 | 0 | 0 | 114.7 | M115 V117 R210 | M115-P119 WeakPolarHBondContact O-CA 3.42Å; V117-P119 VanDerWaalsContact O-CD 3.29Å; V117-P119 WeakPolarHBondContact O-CD 3.18Å; P119-R210 PolarHBondContact O-NH1 3.34Å; P119-R210 PolarHBondContact O-NH2 3.37Å |
| 120 | Y | 96.1 | Very high | 97.9 | Very high | 219 Ų | 219 | 43.5 Ų | 43.5 | 86% | 0.859 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -2.8 | -179.6 | -56.5 | -66 | 0 | 0 | 0 | 114 | Y118 | Y118-Y120 PolarHBondContact O-N 3.24Å; Y118-Y120 VanDerWaalsContact O-N 3.09Å |
| 121 | S | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | trans | -62.6 | 142.5 | 178 | -47.5 | 0 | 0 | 0 | 0 | 111.1 | I27 N28 Y118 R210 | I27-S121 WeakPolarHBondContact O-CB 3.35Å; I27-S121 PolarHBondContact O-OG 2.9Å; N28-S121 WeakPolarHBondContact O-CA 3.49Å; Y118-S121 WeakPolarHBondContact CB-OG 3.36Å; Y118-S121 PolarHBondContact O-N 3.02Å; Y118-S121 VanDerWaalsContact O-N 3.16Å; Y118-S121 PolarHBondContact O-OG 3.16Å; Y118-S121 VanDerWaalsContact O-OG 3.12Å; S121-R210 PolarHBondContact O-NE 2.72Å; S121-R210 PolarHBondContact O-NH2 3.18Å | ||
| 122 | K | 98.7 | Very high | 97.7 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 27% | 0.27 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 146.3 | 163.9 | -71.7 | 178.7 | -178.2 | 172.9 | 0 | 109.4 | N28 V29 I30 F226 L227 | N28-K122 PolarHBondContact O-N 3.37Å; V29-K122 CarbonylContact C-O 3.57Å; V29-K122 WeakPolarHBondContact CA-O 3.35Å; I30-K122 PolarHBondContact N-O 3.08Å; K122-F226 HydrophobicContact CB-CE1 3.59Å; K122-F226 HydrophobicContact CB-CZ 3.7Å; K122-F226 HydrophobicContact CD-CD1 4.3Å; K122-F226 HydrophobicContact CD-CE1 3.98Å; K122-F226 HydrophobicContact CD-CE2 4.43Å; K122-F226 HydrophobicContact CD-CZ 4.04Å; K122-F226 WeakPolarHBondContact CE-O 3.5Å; K122-F226 HydrophobicContact CG-CE1 4.15Å; K122-F226 HydrophobicContact CG-CZ 3.97Å; K122-F226 PolarHBondContact NZ-O 3.21Å; K122-L227 HydrophobicContact CB-CD2 4.22Å; K122-L227 HydrophobicContact CD-CD2 3.79Å; K122-L227 PolarHBondContact NZ-O 3.17Å |
| 123 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.3 | 178.4 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | I30 A32 M115 V206 R210 L211 L212 | I30-V123 HydrophobicContact CB-CG2 4.44Å; I30-V123 CarbonylContact O-C 3.49Å; I30-V123 VanDerWaalsContact O-CA 3.28Å; I30-V123 WeakPolarHBondContact O-CA 3.48Å; A32-V123 HydrophobicContact CB-CG1 3.77Å; M115-V123 HydrophobicContact CG-CG2 3.99Å; M115-V123 HydrophobicContact SD-CG2 3.76Å; V123-V206 HydrophobicContact CB-CG1 3.88Å; V123-V206 HydrophobicContact CG1-CG1 4.39Å; V123-V206 HydrophobicContact CG1-CG2 4.25Å; V123-V206 HydrophobicContact CG2-CG1 3.76Å; V123-V206 HydrophobicContact CG2-CG2 4.42Å; V123-R210 PolarHBondContact N-O 2.75Å; V123-L211 HydrophobicContact CB-CD1 4.22Å; V123-L211 HydrophobicContact CG1-CD1 4.03Å; V123-L211 WeakPolarHBondContact O-CA 3.05Å; V123-L212 PolarHBondContact O-N 2.95Å |
| 124 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 115.9 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | V29 I30 G31 A32 L42 T126 L212 H214 L223 F226 | V29-V124 HydrophobicContact CG1-CB 4.42Å; V29-V124 HydrophobicContact CG1-CG2 3.78Å; I30-V124 PolarHBondContact O-N 3.06Å; G31-V124 CarbonylContact C-O 3.55Å; G31-V124 WeakPolarHBondContact CA-O 3.5Å; A32-V124 PolarHBondContact N-O 2.74Å; L42-V124 HydrophobicContact CD1-CG1 4.25Å; L42-V124 HydrophobicContact CD2-CB 4.02Å; L42-V124 HydrophobicContact CD2-CG1 3.78Å; V124-T126 HydrophobicContact CG1-CG2 4.42Å; V124-L212 CarbonylContact C-O 3.56Å; V124-L212 WeakPolarHBondContact CA-O 3.49Å; V124-L212 HydrophobicContact CG1-CD2 4.33Å; V124-L212 HydrophobicContact CG2-CB 4.41Å; V124-L212 HydrophobicContact CG2-CD2 4.38Å; V124-H214 HydrophobicContact CG1-CB 3.72Å; V124-L223 HydrophobicContact CG2-CD1 4.08Å; V124-F226 HydrophobicContact CG2-CD1 4.31Å; V124-F226 HydrophobicContact CG2-CE1 4.01Å |
| 125 | L | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 104.5 | 173.3 | 175.8 | 60.4 | 0 | 0 | 0 | 108.5 | A32 Y198 V202 V203 L211 L212 H214 | A32-L125 VanDerWaalsContact O-CD1 3.25Å; A32-L125 WeakPolarHBondContact O-CD1 3.46Å; L125-Y198 HydrophobicContact CD1-CE1 4.44Å; L125-V202 HydrophobicContact CB-CG1 4.28Å; L125-V202 HydrophobicContact CD1-CB 4.37Å; L125-V202 HydrophobicContact CD1-CG1 4.13Å; L125-V202 HydrophobicContact CD2-CB 4.09Å; L125-V202 HydrophobicContact CD2-CG1 3.94Å; L125-V202 HydrophobicContact CG-CG1 4.34Å; L125-V203 HydrophobicContact CD2-CG2 3.78Å; L125-L211 HydrophobicContact CB-CD1 4.09Å; L125-L212 PolarHBondContact N-O 2.62Å; L125-H214 PolarHBondContact O-N 3.27Å |
| 126 | T | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.3 | 172.2 | 52.5 | 0 | 0 | 0 | 0 | 110 | G33 T37 L42 V124 H214 | G33-T126 WeakPolarHBondContact CA-OG1 3.43Å; T37-T126 WeakPolarHBondContact CB-O 3.27Å; T37-T126 WeakPolarHBondContact O-CB 3.44Å; T37-T126 PolarHBondContact OG1-O 3.06Å; T37-T126 PolarHBondContact OG1-OG1 2.89Å; L42-T126 HydrophobicContact CB-CG2 4.19Å; L42-T126 HydrophobicContact CD2-CG2 3.75Å; V124-T126 HydrophobicContact CG1-CG2 4.42Å; T126-H214 VanDerWaalsContact CA-O 3.27Å; T126-H214 WeakPolarHBondContact CA-O 3.34Å; T126-H214 HydrophobicContact CG2-CB 4.43Å |
| 127 | I | 97.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 23% | 0.226 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.5 | -177.1 | -163.9 | 168.9 | 0 | 0 | 0 | 111.4 | F195 N199 I213 H214 K215 L216 | I127-F195 HydrophobicContact CG1-CZ 4.46Å; I127-N199 HydrophobicContact CD1-CB 4.47Å; I127-I213 HydrophobicContact CG2-CG2 3.71Å; I127-H214 PolarHBondContact N-O 3.4Å; I127-K215 HydrophobicContact CG2-CB 4.24Å; I127-K215 HydrophobicContact CG2-CG 3.68Å; I127-K215 WeakPolarHBondContact O-CA 3.32Å; I127-L216 PolarHBondContact O-N 2.92Å |
| 128 | R | 95.6 | Very high | 97 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | trans | -135.5 | 157.3 | 179.2 | -174.9 | 177.7 | -178.2 | 145.9 | 8.8 | 108.8 | R36 T37 R130 D132 W133 L216 | R36-R128 WeakPolarHBondContact O-CD 3.28Å; T37-R128 HydrophobicContact CG2-CB 4.47Å; R128-R130 PolarHBondContact O-N 3.21Å; R128-D132 HydrophobicContact CG-CB 4.3Å; R128-D132 PolarHBondContact NE-O 2.84Å; R128-W133 HydrophobicContact CB-CB 4.35Å; R128-W133 HydrophobicContact CG-CB 4.38Å; R128-L216 HydrophobicContact CG-CD2 4.1Å | ||
| 129 | D | 97.3 | Very high | 96.6 | Very high | 86 Ų | 86 | 43.6 Ų | 43.6 | 46% | 0.46 | 21% | 0.209 | S | C | . | . | trans | -51.2 | 133.1 | 164.8 | 174.2 | -89.5 | 0 | 0 | 0 | 109.8 | N131 D132 W133 | D129-N131 VanDerWaalsContact C-N 3.33Å; D129-N131 PolarHBondContact O-N 3.23Å; D129-N131 WeakPolarHBondContact OD1-CA 3.37Å; D129-N131 WeakPolarHBondContact OD1-CB 3.46Å; D129-N131 PolarHBondContact OD1-N 2.88Å; D129-D132 HydrophobicContact CB-CB 4.09Å; D129-D132 PolarHBondContact O-N 3.31Å; D129-D132 PolarHBondContact OD1-N 2.92Å; D129-W133 VanDerWaalsContact O-CB 3.31Å; D129-W133 WeakPolarHBondContact O-CB 3.46Å; D129-W133 PolarHBondContact O-N 3.38Å | ||
| 130 | R | 97.9 | Very high | 96.2 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.1 | -36.3 | -172 | 67.7 | -175.1 | -64.4 | -179.5 | 11 | 113.1 | R128 W133 L134 L192 F195 D196 | R128-R130 PolarHBondContact O-N 3.21Å; R130-W133 WeakPolarHBondContact O-CB 3.37Å; R130-W133 PolarHBondContact O-N 3.02Å; R130-L134 PolarHBondContact O-N 2.94Å; R130-L192 HydrophobicContact CB-CD2 3.86Å; R130-L192 HydrophobicContact CG-CD2 4.01Å; R130-L192 PolarHBondContact NH2-O 3.24Å; R130-L192 VanDerWaalsContact O-CD2 3.24Å; R130-L192 WeakPolarHBondContact O-CD2 3.28Å; R130-F195 HydrophobicContact CB-CD1 3.72Å; R130-F195 HydrophobicContact CB-CE1 3.83Å; R130-D196 VanDerWaalsContact CZ-CG 3.43Å; R130-D196 IonicContact CZ-OD1 2.65Å; R130-D196 IonicContact CZ-OD2 3.52Å; R130-D196 IonicContact NE-OD1 2.8Å; R130-D196 IonicContact NE-OD2 3.76Å; R130-D196 IonicContact NH1-OD1 2.7Å; R130-D196 IonicContact NH1-OD2 3.9Å; R130-D196 PolarHBondContact NH1-OD2 3.32Å; R130-D196 IonicContact NH2-OD1 3.86Å; R130-D196 IonicContact NH2-OD2 3.52Å; R130-D196 PolarHBondContact NH2-OD2 3.24Å |
| 131 | N | 97.8 | Very high | 95.8 | Very high | 96 Ų | 96 | 34 Ų | 34 | 51% | 0.513 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -74.4 | -40.3 | -179.7 | -62.1 | -62.5 | 0 | 0 | 0 | 110 | D129 W133 L134 S135 | D129-N131 VanDerWaalsContact C-N 3.33Å; D129-N131 PolarHBondContact O-N 3.23Å; D129-N131 WeakPolarHBondContact OD1-CA 3.37Å; D129-N131 WeakPolarHBondContact OD1-CB 3.46Å; D129-N131 PolarHBondContact OD1-N 2.88Å; N131-W133 VanDerWaalsContact C-N 3.3Å; N131-W133 PolarHBondContact O-N 2.9Å; N131-L134 PolarHBondContact O-N 2.88Å; N131-S135 WeakPolarHBondContact O-CB 3.31Å; N131-S135 PolarHBondContact O-N 3.45Å |
| 132 | D | 96 | Very high | 95.5 | Very high | 78 Ų | 78 | 34.4 Ų | 34.4 | 42% | 0.417 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.6 | -35.3 | 172.4 | -76.5 | -22 | 0 | 0 | 0 | 112.2 | R128 D129 S136 | R128-D132 HydrophobicContact CG-CB 4.3Å; R128-D132 PolarHBondContact NE-O 2.84Å; D129-D132 HydrophobicContact CB-CB 4.09Å; D129-D132 PolarHBondContact O-N 3.31Å; D129-D132 PolarHBondContact OD1-N 2.92Å; D132-S136 WeakPolarHBondContact O-CB 3.24Å; D132-S136 PolarHBondContact O-N 2.96Å |
| 133 | W | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -54.1 | 173.2 | 171.5 | 79.6 | 0 | 0 | 0 | 111 | L34 P35 R128 D129 R130 N131 S135 S136 L137 F178 L191 F195 | L34-W133 HydrophobicContact CD1-CZ2 4.46Å; P35-W133 PolarHBondContact O-NE1 3Å; R128-W133 HydrophobicContact CB-CB 4.35Å; R128-W133 HydrophobicContact CG-CB 4.38Å; D129-W133 VanDerWaalsContact O-CB 3.31Å; D129-W133 WeakPolarHBondContact O-CB 3.46Å; D129-W133 PolarHBondContact O-N 3.38Å; R130-W133 WeakPolarHBondContact O-CB 3.37Å; R130-W133 PolarHBondContact O-N 3.02Å; N131-W133 VanDerWaalsContact C-N 3.3Å; N131-W133 PolarHBondContact O-N 2.9Å; W133-S135 VanDerWaalsContact C-N 3.33Å; W133-S135 PolarHBondContact O-N 2.74Å; W133-S136 CarbonylContact O-C 3.58Å; W133-S136 PolarHBondContact O-N 2.71Å; W133-S136 VanDerWaalsContact O-N 3.13Å; W133-L137 HydrophobicContact CH2-CD2 3.87Å; W133-L137 HydrophobicContact CZ2-CD1 4.29Å; W133-L137 HydrophobicContact CZ2-CD2 3.94Å; W133-L137 HydrophobicContact CZ3-CD2 4.4Å; W133-L137 WeakPolarHBondContact O-CB 3.4Å; W133-L137 PolarHBondContact O-N 3.5Å; W133-F178 HydrophobicContact CH2-CZ 4.36Å; W133-F178 HydrophobicContact CZ2-CZ 4.47Å; W133-L191 HydrophobicContact CZ3-CB 4.45Å; W133-F195 HydrophobicContact CB-CE2 4.18Å; W133-F195 HydrophobicContact CB-CZ 4.17Å; W133-F195 AromaticContact CD1-CE2 3.67Å; W133-F195 HydrophobicContact CD2-CB 4.45Å; W133-F195 AromaticContact CD2-CD2 3.35Å; W133-F195 HydrophobicContact CD2-CD2 3.35Å; W133-F195 AromaticContact CD2-CE2 3.63Å; W133-F195 HydrophobicContact CD2-CE2 3.63Å; W133-F195 AromaticContact CD2-CG 3.93Å; W133-F195 HydrophobicContact CD2-CG 3.93Å; W133-F195 HydrophobicContact CD2-CZ 4.38Å; W133-F195 AromaticContact CE2-CD2 3.44Å; W133-F195 VanDerWaalsContact CE2-CD2 3.44Å; W133-F195 AromaticContact CE2-CE2 3.81Å; W133-F195 HydrophobicContact CE3-CB 3.86Å; W133-F195 HydrophobicContact CE3-CD1 4.4Å; W133-F195 AromaticContact CE3-CD2 3.63Å; W133-F195 HydrophobicContact CE3-CD2 3.63Å; W133-F195 HydrophobicContact CE3-CE2 4.27Å; W133-F195 AromaticContact CE3-CG 3.71Å; W133-F195 HydrophobicContact CE3-CG 3.71Å; W133-F195 AromaticContact CG-CD2 3.83Å; W133-F195 HydrophobicContact CG-CD2 3.83Å; W133-F195 AromaticContact CG-CE2 3.55Å; W133-F195 HydrophobicContact CG-CE2 3.55Å; W133-F195 HydrophobicContact CG-CZ 4.04Å; W133-F195 HydrophobicContact CH2-CB 3.88Å; W133-F195 HydrophobicContact CH2-CD2 4.04Å; W133-F195 HydrophobicContact CH2-CG 4.32Å; W133-F195 HydrophobicContact CZ2-CB 4.47Å; W133-F195 AromaticContact CZ2-CD2 3.79Å; W133-F195 HydrophobicContact CZ2-CD2 3.79Å; W133-F195 HydrophobicContact CZ3-CB 3.55Å; W133-F195 AromaticContact CZ3-CD2 3.97Å; W133-F195 HydrophobicContact CZ3-CD2 3.97Å; W133-F195 AromaticContact CZ3-CG 3.93Å; W133-F195 HydrophobicContact CZ3-CG 3.93Å; W133-F195 AromaticContact NE1-CD2 3.91Å; W133-F195 AromaticContact NE1-CE2 3.81Å |
| 134 | L | 97.3 | Very high | 95 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 177.6 | 177.2 | 68.8 | 0 | 0 | 0 | 111 | R130 N131 S136 L137 R138 D188 L191 L192 | R130-L134 PolarHBondContact O-N 2.94Å; N131-L134 PolarHBondContact O-N 2.88Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 2.62Å; L134-L137 WeakPolarHBondContact O-CB 3.26Å; L134-L137 PolarHBondContact O-N 2.94Å; L134-L137 VanDerWaalsContact O-N 3.08Å; L134-R138 HydrophobicContact CD1-CG 4.23Å; L134-R138 HydrophobicContact CG-CG 4.39Å; L134-R138 WeakPolarHBondContact O-CG 3.38Å; L134-R138 PolarHBondContact O-N 3.31Å; L134-D188 HydrophobicContact CD2-CB 3.66Å; L134-L191 HydrophobicContact CD1-CB 4.19Å; L134-L191 HydrophobicContact CD1-CD1 3.98Å; L134-L192 HydrophobicContact CB-CD2 3.85Å; L134-L192 HydrophobicContact CB-CG 4.38Å; L134-L192 HydrophobicContact CD2-CD1 3.82Å; L134-L192 HydrophobicContact CD2-CD2 4.16Å; L134-L192 HydrophobicContact CD2-CG 3.85Å |
| 135 | S | 95.2 | Very high | 94.7 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 29% | 0.287 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.9 | -43.7 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | N131 W133 Q139 R243 | N131-S135 WeakPolarHBondContact O-CB 3.31Å; N131-S135 PolarHBondContact O-N 3.45Å; W133-S135 VanDerWaalsContact C-N 3.33Å; W133-S135 PolarHBondContact O-N 2.74Å; S135-Q139 VanDerWaalsContact O-CG 3.28Å; S135-Q139 WeakPolarHBondContact O-CG 3.04Å; S135-Q139 PolarHBondContact O-N 3.47Å; S135-Q139 PolarHBondContact O-NE2 2.81Å; S135-Q139 PolarHBondContact OG-NE2 3.4Å; S135-R243 PolarHBondContact OG-NH1 3.25Å; S135-R243 VanDerWaalsContact OG-NH1 3.16Å |
| 136 | S | 94 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | R36 D132 W133 L134 Q139 T140 | R36-S136 PolarHBondContact NE-OG 2.93Å; R36-S136 PolarHBondContact NH2-OG 2.8Å; D132-S136 WeakPolarHBondContact O-CB 3.24Å; D132-S136 PolarHBondContact O-N 2.96Å; W133-S136 CarbonylContact O-C 3.58Å; W133-S136 PolarHBondContact O-N 2.71Å; W133-S136 VanDerWaalsContact O-N 3.13Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 2.62Å; S136-Q139 PolarHBondContact O-N 2.9Å; S136-T140 PolarHBondContact O-N 3.01Å; S136-T140 PolarHBondContact O-OG1 3.05Å |
| 137 | L | 94.3 | Very high | 94 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 179.7 | -167.1 | 77.8 | 0 | 0 | 0 | 110.9 | R36 W133 L134 Q139 T140 I141 L142 L191 | R36-L137 HydrophobicContact CG-CD1 3.91Å; W133-L137 HydrophobicContact CH2-CD2 3.87Å; W133-L137 HydrophobicContact CZ2-CD1 4.29Å; W133-L137 HydrophobicContact CZ2-CD2 3.94Å; W133-L137 HydrophobicContact CZ3-CD2 4.4Å; W133-L137 WeakPolarHBondContact O-CB 3.4Å; W133-L137 PolarHBondContact O-N 3.5Å; L134-L137 WeakPolarHBondContact O-CB 3.26Å; L134-L137 PolarHBondContact O-N 2.94Å; L134-L137 VanDerWaalsContact O-N 3.08Å; L137-Q139 VanDerWaalsContact C-N 3.29Å; L137-Q139 PolarHBondContact O-N 3.16Å; L137-T140 PolarHBondContact O-N 3.21Å; L137-I141 HydrophobicContact CD1-CD1 3.51Å; L137-I141 HydrophobicContact CD1-CG1 3.59Å; L137-I141 HydrophobicContact CG-CG1 4.23Å; L137-I141 PolarHBondContact O-N 3.03Å; L137-L142 HydrophobicContact CD1-CD1 4.17Å; L137-L142 HydrophobicContact CD2-CB 4.45Å; L137-L142 HydrophobicContact CD2-CD1 3.98Å; L137-L142 HydrophobicContact CG-CB 4.14Å; L137-L142 HydrophobicContact CG-CD1 4.09Å; L137-L142 HydrophobicContact CG-CG 4.48Å; L137-L142 PolarHBondContact O-N 3.24Å; L137-L191 HydrophobicContact CD2-CD1 4.01Å |
| 138 | R | 94.6 | Very high | 93.6 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -35.9 | 177.9 | -67.9 | -49.5 | -170.7 | -171.3 | -4.5 | 113.2 | L134 L142 P143 F185 D186 D188 | L134-R138 HydrophobicContact CD1-CG 4.23Å; L134-R138 HydrophobicContact CG-CG 4.39Å; L134-R138 WeakPolarHBondContact O-CG 3.38Å; L134-R138 PolarHBondContact O-N 3.31Å; R138-L142 WeakPolarHBondContact CA-O 3.23Å; R138-L142 WeakPolarHBondContact CD-O 2.97Å; R138-L142 PolarHBondContact NH1-O 3.39Å; R138-P143 WeakPolarHBondContact O-CA 3.42Å; R138-P143 VanDerWaalsContact O-CB 3.32Å; R138-P143 WeakPolarHBondContact O-CB 3.35Å; R138-F185 PolarHBondContact NH1-O 2.87Å; R138-F185 PolarHBondContact NH2-O 3.49Å; R138-D186 VanDerWaalsContact NH2-C 3.3Å; R138-D186 PolarHBondContact NH2-O 2.96Å; R138-D186 VanDerWaalsContact NH2-O 3.16Å; R138-D188 IonicContact CZ-OD1 3.75Å; R138-D188 VanDerWaalsContact CZ-OD1 3.22Å; R138-D188 IonicContact NE-OD1 2.62Å; R138-D188 PolarHBondContact NE-OD1 2.86Å; R138-D188 IonicContact NH2-OD1 2.85Å; R138-D188 PolarHBondContact NH2-OD1 3.48Å |
| 139 | Q | 89.5 | Confident | 93.2 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -81.2 | -19.9 | -177.3 | -72.7 | 176.8 | 51.8 | 0 | 0 | 113.8 | S135 S136 L137 H149 R243 | S135-Q139 VanDerWaalsContact O-CG 3.28Å; S135-Q139 WeakPolarHBondContact O-CG 3.04Å; S135-Q139 PolarHBondContact O-N 3.47Å; S135-Q139 PolarHBondContact O-NE2 2.81Å; S135-Q139 PolarHBondContact OG-NE2 3.4Å; S136-Q139 PolarHBondContact O-N 2.9Å; L137-Q139 VanDerWaalsContact C-N 3.29Å; L137-Q139 PolarHBondContact O-N 3.16Å; Q139-H149 PolarHBondContact O-CE1 2.91Å; Q139-H149 PolarHBondContact O-NE2 3.24Å; Q139-R243 VanDerWaalsContact OE1-CD 3.25Å |
| 140 | T | 87.6 | Confident | 92.9 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -120 | -46.6 | -170.7 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | R36 S136 L137 T246 | R36-T140 WeakPolarHBondContact CD-OG1 3.39Å; R36-T140 PolarHBondContact NE-OG1 3.06Å; S136-T140 PolarHBondContact O-N 3.01Å; S136-T140 PolarHBondContact O-OG1 3.05Å; L137-T140 PolarHBondContact O-N 3.21Å; T140-T246 HydrophobicContact CG2-CG2 3.81Å |
| 141 | I | 88.1 | Confident | 92.6 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 32% | 0.323 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -31 | -167.4 | 61.2 | 170 | 0 | 0 | 0 | 114.1 | P35 R36 L137 | P35-I141 HydrophobicContact CB-CD1 3.84Å; R36-I141 HydrophobicContact CG-CD1 3.97Å; R36-I141 HydrophobicContact CG-CG1 4.28Å; L137-I141 HydrophobicContact CD1-CD1 3.51Å; L137-I141 HydrophobicContact CD1-CG1 3.59Å; L137-I141 HydrophobicContact CG-CG1 4.23Å; L137-I141 PolarHBondContact O-N 3.03Å |
| 142 | L | 91.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | trans | -134.3 | 61.9 | -178.4 | -64.5 | 172.8 | 0 | 0 | 0 | 111.4 | L137 R138 Y171 L174 F185 | L137-L142 HydrophobicContact CD1-CD1 4.17Å; L137-L142 HydrophobicContact CD2-CB 4.45Å; L137-L142 HydrophobicContact CD2-CD1 3.98Å; L137-L142 HydrophobicContact CG-CB 4.14Å; L137-L142 HydrophobicContact CG-CD1 4.09Å; L137-L142 HydrophobicContact CG-CG 4.48Å; L137-L142 PolarHBondContact O-N 3.24Å; R138-L142 WeakPolarHBondContact CA-O 3.23Å; R138-L142 WeakPolarHBondContact CD-O 2.97Å; R138-L142 PolarHBondContact NH1-O 3.39Å; L142-Y171 HydrophobicContact CD2-CE1 3.82Å; L142-Y171 HydrophobicContact CD2-CE2 3.85Å; L142-Y171 WeakPolarHBondContact CD2-OH 3.36Å; L142-L174 HydrophobicContact CD1-CD1 3.67Å; L142-F185 HydrophobicContact CD1-CD1 3.85Å; L142-F185 HydrophobicContact CD1-CE1 4.16Å | ||
| 143 | P | 93.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 8% | 0.078 | 26% | 0.256 | C | S | . | . | trans | -58.4 | 152.5 | 168.4 | 31.3 | -37.1 | 0 | 0 | 0 | 110.1 | R138 T150 V153 | R138-P143 WeakPolarHBondContact O-CA 3.42Å; R138-P143 VanDerWaalsContact O-CB 3.32Å; R138-P143 WeakPolarHBondContact O-CB 3.35Å; P143-T150 WeakPolarHBondContact CB-OG1 3.19Å; P143-T150 HydrophobicContact CG-CG2 4.29Å; P143-T150 WeakPolarHBondContact CG-OG1 3.43Å; P143-V153 HydrophobicContact CG-CB 3.97Å; P143-V153 HydrophobicContact CG-CG1 4.21Å; P143-V153 HydrophobicContact CG-CG2 3.88Å | ||
| 144 | K | 93.7 | Very high | 91.6 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | trans | -63.2 | 145.2 | 176.3 | -68.4 | -172.4 | 178.5 | -176.5 | 0 | 110.9 | D146 H147 T150 D186 D188 | K144-D146 WeakPolarHBondContact CB-OD1 3.46Å; K144-D146 PolarHBondContact O-N 3.33Å; K144-D146 VanDerWaalsContact O-N 3.12Å; K144-H147 HydrophobicContact CB-CB 4.13Å; K144-H147 WeakPolarHBondContact O-CB 3.49Å; K144-H147 PolarHBondContact O-N 3.23Å; K144-T150 PolarHBondContact O-OG1 3.44Å; K144-D186 VanDerWaalsContact CA-OD1 3.23Å; K144-D186 WeakPolarHBondContact CA-OD1 3.39Å; K144-D186 WeakPolarHBondContact CE-O 3.17Å; K144-D188 VanDerWaalsContact CE-CG 3.43Å; K144-D188 VanDerWaalsContact CE-OD1 3.24Å; K144-D188 WeakPolarHBondContact CE-OD1 3.21Å; K144-D188 WeakPolarHBondContact CE-OD2 3.07Å; K144-D188 IonicContact NZ-OD1 2.85Å; K144-D188 IonicContact NZ-OD2 3.22Å; K144-D188 PolarHBondContact NZ-OD2 2.85Å | ||
| 145 | T | 92 | Very high | 91.3 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 67% | 0.669 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.5 | -175.4 | -52.4 | 0 | 0 | 0 | 0 | 113.1 | D186 | T145-D186 WeakPolarHBondContact CB-OD2 3.49Å; T145-D186 PolarHBondContact N-OD1 3.25Å; T145-D186 PolarHBondContact N-OD2 2.94Å; T145-D186 PolarHBondContact OG1-OD1 3.48Å; T145-D186 PolarHBondContact OG1-OD2 2.99Å |
| 146 | D | 91.6 | Very high | 91 | Very high | 136 Ų | 136 | 54.6 Ų | 54.6 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.4 | -179.8 | 69.5 | -20 | 0 | 0 | 0 | 114.5 | K144 | K144-D146 WeakPolarHBondContact CB-OD1 3.46Å; K144-D146 PolarHBondContact O-N 3.33Å; K144-D146 VanDerWaalsContact O-N 3.12Å |
| 147 | H | 91.3 | Very high | 90.8 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 47% | 0.468 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -80.6 | 133.7 | -174.9 | -167.9 | -88 | 0 | 0 | 0 | 111.5 | K144 H149 T150 | K144-H147 HydrophobicContact CB-CB 4.13Å; K144-H147 WeakPolarHBondContact O-CB 3.49Å; K144-H147 PolarHBondContact O-N 3.23Å; H147-H149 WeakPolarHBondContact ND1-CB 3.31Å; H147-H149 PolarHBondContact ND1-N 2.92Å; H147-H149 VanDerWaalsContact ND1-N 3.16Å; H147-H149 PolarHBondContact O-N 3.39Å; H147-T150 VanDerWaalsContact O-CB 3.23Å; H147-T150 WeakPolarHBondContact O-CB 3.27Å; H147-T150 PolarHBondContact O-N 3.41Å; H147-T150 PolarHBondContact O-OG1 3.3Å; H147-T150 VanDerWaalsContact O-OG1 3.05Å |
| 148 | P | 89.6 | Confident | 90.6 | Very high | 103 Ų | 103 | 63.9 Ų | 63.9 | 67% | 0.669 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.5 | -178 | -27.8 | 34.8 | 0 | 0 | 0 | 115 | T150 L151 | P148-T150 PolarHBondContact O-N 2.78Å; P148-L151 PolarHBondContact O-N 2.9Å |
| 149 | H | 88.3 | Confident | 90.2 | Very high | 35 Ų | 35 | 66 Ų | 66 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -21.5 | 175.6 | -168.9 | -79.6 | 0 | 0 | 0 | 113.3 | Q139 H147 L151 V152 V153 | Q139-H149 PolarHBondContact O-CE1 2.91Å; Q139-H149 PolarHBondContact O-NE2 3.24Å; H147-H149 WeakPolarHBondContact ND1-CB 3.31Å; H147-H149 PolarHBondContact ND1-N 2.92Å; H147-H149 VanDerWaalsContact ND1-N 3.16Å; H147-H149 PolarHBondContact O-N 3.39Å; H149-L151 VanDerWaalsContact C-N 3.27Å; H149-L151 PolarHBondContact O-N 2.92Å; H149-V152 WeakPolarHBondContact O-CB 3.43Å; H149-V152 PolarHBondContact O-N 3.18Å; H149-V153 WeakPolarHBondContact CE1-CG2 3.43Å; H149-V153 VanDerWaalsContact ND1-CG2 3.33Å; H149-V153 WeakPolarHBondContact ND1-CG2 3.48Å; H149-V153 PolarHBondContact O-N 3.5Å |
| 150 | T | 91.2 | Very high | 90.1 | Very high | 22 Ų | 22 | 67.9 Ų | 67.9 | 14% | 0.135 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.7 | -39.5 | 178.6 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | P143 K144 H147 P148 V152 V153 D154 | P143-T150 WeakPolarHBondContact CB-OG1 3.19Å; P143-T150 HydrophobicContact CG-CG2 4.29Å; P143-T150 WeakPolarHBondContact CG-OG1 3.43Å; K144-T150 PolarHBondContact O-OG1 3.44Å; H147-T150 VanDerWaalsContact O-CB 3.23Å; H147-T150 WeakPolarHBondContact O-CB 3.27Å; H147-T150 PolarHBondContact O-N 3.41Å; H147-T150 PolarHBondContact O-OG1 3.3Å; H147-T150 VanDerWaalsContact O-OG1 3.05Å; P148-T150 PolarHBondContact O-N 2.78Å; T150-V152 VanDerWaalsContact C-N 3.27Å; T150-V152 PolarHBondContact O-N 2.95Å; T150-V153 PolarHBondContact O-N 2.83Å; T150-D154 WeakPolarHBondContact O-CB 3.48Å; T150-D154 VanDerWaalsContact O-CG 3.32Å; T150-D154 PolarHBondContact O-N 2.87Å |
| 151 | L | 91.4 | Very high | 90.2 | Very high | 128 Ų | 128 | 77.1 Ų | 77.1 | 67% | 0.67 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.8 | -35.8 | 174.6 | -63.7 | 175.8 | 0 | 0 | 0 | 112.8 | P148 H149 K155 | P148-L151 PolarHBondContact O-N 2.9Å; H149-L151 VanDerWaalsContact C-N 3.27Å; H149-L151 PolarHBondContact O-N 2.92Å; L151-K155 WeakPolarHBondContact O-CG 3.29Å; L151-K155 PolarHBondContact O-N 3.22Å; L151-K155 VanDerWaalsContact O-N 3.07Å |
| 152 | V | 89.8 | Confident | 90.4 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.8 | -46 | 177.4 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | H149 T150 D154 K155 V156 V250 L259 | H149-V152 WeakPolarHBondContact O-CB 3.43Å; H149-V152 PolarHBondContact O-N 3.18Å; T150-V152 VanDerWaalsContact C-N 3.27Å; T150-V152 PolarHBondContact O-N 2.95Å; V152-D154 PolarHBondContact O-N 2.91Å; V152-K155 PolarHBondContact O-N 3.06Å; V152-V156 WeakPolarHBondContact O-CG2 3.33Å; V152-V156 PolarHBondContact O-N 3.13Å; V152-V250 HydrophobicContact CG1-CG1 3.62Å; V152-L259 HydrophobicContact CG1-CD1 3.98Å |
| 153 | V | 88.5 | Confident | 90.5 | Very high | 10 Ų | 10 | 78.5 Ų | 78.5 | 6% | 0.061 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 178.2 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | P143 H149 T150 V156 K157 | P143-V153 HydrophobicContact CG-CB 3.97Å; P143-V153 HydrophobicContact CG-CG1 4.21Å; P143-V153 HydrophobicContact CG-CG2 3.88Å; H149-V153 WeakPolarHBondContact CE1-CG2 3.43Å; H149-V153 VanDerWaalsContact ND1-CG2 3.33Å; H149-V153 WeakPolarHBondContact ND1-CG2 3.48Å; H149-V153 PolarHBondContact O-N 3.5Å; T150-V153 PolarHBondContact O-N 2.83Å; V153-V156 WeakPolarHBondContact O-CB 3.46Å; V153-V156 PolarHBondContact O-N 3.46Å; V153-K157 HydrophobicContact CG1-CD 4.46Å; V153-K157 WeakPolarHBondContact O-CG 3.49Å; V153-K157 PolarHBondContact O-N 2.91Å |
| 154 | D | 91.4 | Very high | 90.6 | Very high | 69 Ų | 69 | 86.2 Ų | 86.2 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 178.5 | -68.5 | -21 | 0 | 0 | 0 | 112.3 | T150 V152 V156 K157 H158 | T150-D154 WeakPolarHBondContact O-CB 3.48Å; T150-D154 VanDerWaalsContact O-CG 3.32Å; T150-D154 PolarHBondContact O-N 2.87Å; V152-D154 PolarHBondContact O-N 2.91Å; D154-V156 VanDerWaalsContact C-N 3.35Å; D154-K157 PolarHBondContact O-N 2.86Å; D154-K157 IonicContact OD1-NZ 2.66Å; D154-K157 PolarHBondContact OD1-NZ 3.38Å; D154-H158 PolarHBondContact O-N 3.32Å |
| 155 | K | 90.1 | Very high | 90.8 | Very high | 103 Ų | 103 | 88.9 Ų | 88.9 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 169.3 | -75 | -175.7 | -173.6 | -169.9 | 0 | 111.9 | L151 V152 H158 I159 L259 | L151-K155 WeakPolarHBondContact O-CG 3.29Å; L151-K155 PolarHBondContact O-N 3.22Å; L151-K155 VanDerWaalsContact O-N 3.07Å; V152-K155 PolarHBondContact O-N 3.06Å; K155-H158 WeakPolarHBondContact O-CB 3.4Å; K155-H158 PolarHBondContact O-N 2.65Å; K155-I159 WeakPolarHBondContact O-CD1 3.41Å; K155-I159 VanDerWaalsContact O-CG1 3.29Å; K155-I159 WeakPolarHBondContact O-CG1 3.36Å; K155-I159 PolarHBondContact O-N 2.81Å; K155-L259 HydrophobicContact CB-CD2 3.43Å; K155-L259 VanDerWaalsContact CB-CD2 3.43Å; K155-L259 HydrophobicContact CD-CD2 4.05Å; K155-L259 HydrophobicContact CG-CD2 4.42Å; K155-L259 PolarHBondContact NZ-OXT 3.12Å |
| 156 | V | 88.2 | Confident | 91.1 | Very high | 39 Ų | 39 | 84.8 Ų | 84.8 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | V152 V153 D154 H158 I159 L160 L259 | V152-V156 WeakPolarHBondContact O-CG2 3.33Å; V152-V156 PolarHBondContact O-N 3.13Å; V153-V156 WeakPolarHBondContact O-CB 3.46Å; V153-V156 PolarHBondContact O-N 3.46Å; D154-V156 VanDerWaalsContact C-N 3.35Å; V156-H158 VanDerWaalsContact C-N 3.3Å; V156-H158 PolarHBondContact O-N 2.92Å; V156-I159 PolarHBondContact O-N 3.41Å; V156-L160 HydrophobicContact CG1-CD1 3.95Å; V156-L160 HydrophobicContact CG1-CG 4.38Å; V156-L160 WeakPolarHBondContact O-CB 3.32Å; V156-L160 WeakPolarHBondContact O-CG 3.48Å; V156-L160 PolarHBondContact O-N 3.5Å; V156-L259 HydrophobicContact CG2-CD1 3.91Å; V156-L259 HydrophobicContact CG2-CD2 4.02Å |
| 157 | K | 90.3 | Very high | 91.2 | Very high | 44 Ų | 44 | 80.3 Ų | 80.3 | 19% | 0.191 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 173.5 | -69.9 | 172.5 | -169.8 | 154.5 | 0 | 111.2 | V153 D154 L160 R161 L162 V167 | V153-K157 HydrophobicContact CG1-CD 4.46Å; V153-K157 WeakPolarHBondContact O-CG 3.49Å; V153-K157 PolarHBondContact O-N 2.91Å; D154-K157 PolarHBondContact O-N 2.86Å; D154-K157 IonicContact OD1-NZ 2.66Å; D154-K157 PolarHBondContact OD1-NZ 3.38Å; K157-L160 CarbonylContact O-C 3.53Å; K157-L160 PolarHBondContact O-N 3.16Å; K157-R161 PolarHBondContact O-N 2.97Å; K157-L162 HydrophobicContact CB-CB 4.21Å; K157-L162 HydrophobicContact CB-CD1 4.43Å; K157-L162 HydrophobicContact CG-CD1 4.25Å; K157-L162 PolarHBondContact O-N 2.66Å; K157-V167 HydrophobicContact CD-CG2 4.47Å |
| 158 | H | 89.5 | Confident | 91.5 | Very high | 154 Ų | 154 | 80.1 Ų | 80.1 | 71% | 0.713 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 177.3 | -175.7 | 74 | 0 | 0 | 0 | 112.5 | D154 K155 V156 L160 R161 | D154-H158 PolarHBondContact O-N 3.32Å; K155-H158 WeakPolarHBondContact O-CB 3.4Å; K155-H158 PolarHBondContact O-N 2.65Å; V156-H158 VanDerWaalsContact C-N 3.3Å; V156-H158 PolarHBondContact O-N 2.92Å; H158-L160 VanDerWaalsContact C-N 3.3Å; H158-L160 PolarHBondContact O-N 2.77Å; H158-R161 WeakPolarHBondContact O-CA 3.43Å; H158-R161 PolarHBondContact O-N 3.32Å |
| 159 | I | 87.8 | Confident | 91.9 | Very high | 76 Ų | 76 | 75.2 Ų | 75.2 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 175.8 | -70.1 | 159.5 | 0 | 0 | 0 | 111 | K155 V156 R161 I258 L259 | K155-I159 WeakPolarHBondContact O-CD1 3.41Å; K155-I159 VanDerWaalsContact O-CG1 3.29Å; K155-I159 WeakPolarHBondContact O-CG1 3.36Å; K155-I159 PolarHBondContact O-N 2.81Å; V156-I159 PolarHBondContact O-N 3.41Å; I159-R161 PolarHBondContact O-N 3.02Å; I159-I258 HydrophobicContact CD1-CG2 3.41Å; I159-I258 VanDerWaalsContact CD1-CG2 3.41Å; I159-I258 HydrophobicContact CG1-CG2 4.23Å; I159-L259 HydrophobicContact CD1-CD2 3.68Å; I159-L259 HydrophobicContact CD1-CG 4.39Å |
| 160 | L | 87.2 | Confident | 92.4 | Very high | 95 Ų | 95 | 74.3 Ų | 74.3 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 0.2 | 176.4 | -65.9 | 178.8 | 0 | 0 | 0 | 113.4 | V156 K157 H158 L162 | V156-L160 HydrophobicContact CG1-CD1 3.95Å; V156-L160 HydrophobicContact CG1-CG 4.38Å; V156-L160 WeakPolarHBondContact O-CB 3.32Å; V156-L160 WeakPolarHBondContact O-CG 3.48Å; V156-L160 PolarHBondContact O-N 3.5Å; K157-L160 CarbonylContact O-C 3.53Å; K157-L160 PolarHBondContact O-N 3.16Å; H158-L160 VanDerWaalsContact C-N 3.3Å; H158-L160 PolarHBondContact O-N 2.77Å; L160-L162 HydrophobicContact CB-CD1 4.11Å; L160-L162 HydrophobicContact CB-CD2 4.29Å; L160-L162 HydrophobicContact CB-CG 3.78Å; L160-L162 HydrophobicContact CD1-CD1 4.24Å; L160-L162 PolarHBondContact O-N 3.01Å |
| 161 | R | 89.7 | Confident | 92.7 | Very high | 217 Ų | 217 | 76.9 Ų | 76.9 | 82% | 0.819 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 35.9 | -177.8 | -54.6 | -179.9 | -179.6 | -177.8 | -0.8 | 113.1 | K157 H158 I159 D163 | K157-R161 PolarHBondContact O-N 2.97Å; H158-R161 WeakPolarHBondContact O-CA 3.43Å; H158-R161 PolarHBondContact O-N 3.32Å; I159-R161 PolarHBondContact O-N 3.02Å; R161-D163 PolarHBondContact O-N 3.21Å |
| 162 | L | 92.3 | Very high | 93 | Very high | 33 Ų | 33 | 72.1 Ų | 72.1 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | trans | -78.7 | 102.8 | 173.4 | -53.9 | -180 | 0 | 0 | 0 | 107.8 | V61 K157 L160 F166 | V61-L162 HydrophobicContact CB-CD2 4.47Å; V61-L162 HydrophobicContact CG1-CD2 4Å; V61-L162 HydrophobicContact CG2-CD2 3.62Å; K157-L162 HydrophobicContact CB-CB 4.21Å; K157-L162 HydrophobicContact CB-CD1 4.43Å; K157-L162 HydrophobicContact CG-CD1 4.25Å; K157-L162 PolarHBondContact O-N 2.66Å; L160-L162 HydrophobicContact CB-CD1 4.11Å; L160-L162 HydrophobicContact CB-CD2 4.29Å; L160-L162 HydrophobicContact CB-CG 3.78Å; L160-L162 HydrophobicContact CD1-CD1 4.24Å; L160-L162 PolarHBondContact O-N 3.01Å; L162-F166 HydrophobicContact CB-CD1 3.79Å; L162-F166 HydrophobicContact CB-CE1 4.28Å; L162-F166 HydrophobicContact CB-CG 4.32Å; L162-F166 HydrophobicContact CD1-CD1 4.18Å; L162-F166 HydrophobicContact CD1-CE1 3.79Å; L162-F166 HydrophobicContact CD1-CZ 4.39Å; L162-F166 HydrophobicContact CD2-CD1 3.9Å; L162-F166 HydrophobicContact CD2-CD2 4.19Å; L162-F166 HydrophobicContact CD2-CE1 3.91Å; L162-F166 HydrophobicContact CD2-CE2 4.18Å; L162-F166 HydrophobicContact CD2-CG 4.05Å; L162-F166 HydrophobicContact CD2-CZ 4.04Å; L162-F166 HydrophobicContact CG-CD1 4.15Å; L162-F166 HydrophobicContact CG-CE1 4.2Å | ||
| 163 | D | 93.5 | Very high | 93.4 | Very high | 67 Ų | 67 | 70.7 Ų | 70.7 | 36% | 0.358 | 33% | 0.333 | S | S | . | . | trans | -85.3 | -178.1 | -178.4 | 60.3 | 13.2 | 0 | 0 | 0 | 112.8 | Y65 R161 E165 F166 V167 | Y65-D163 PolarHBondContact OH-OD1 2.9Å; Y65-D163 PolarHBondContact OH-OD2 3.44Å; R161-D163 PolarHBondContact O-N 3.21Å; D163-E165 VanDerWaalsContact C-N 3.27Å; D163-E165 PolarHBondContact O-N 3.45Å; D163-E165 PolarHBondContact OD1-N 3.4Å; D163-F166 PolarHBondContact O-N 3.4Å; D163-F166 PolarHBondContact OD1-N 3.18Å; D163-F166 VanDerWaalsContact OD1-N 3.12Å; D163-V167 WeakPolarHBondContact O-CG2 3.45Å; D163-V167 PolarHBondContact O-N 2.79Å | ||
| 164 | E | 95.6 | Very high | 93.8 | Very high | 175 Ų | 175 | 70.6 Ų | 70.6 | 82% | 0.818 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.6 | -34 | -176.1 | -64.4 | 179.9 | -177.3 | 0 | 0 | 112.6 | V167 K168 | E164-V167 PolarHBondContact O-N 3.02Å; E164-K168 WeakPolarHBondContact O-CB 3.35Å; E164-K168 PolarHBondContact O-N 3.12Å |
| 165 | E | 97.4 | Very high | 94.2 | Very high | 122 Ų | 122 | 69.9 Ų | 69.9 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.4 | -44.2 | 177.5 | -64.6 | -169.5 | 165.4 | 0 | 0 | 111.2 | V68 D163 K168 M169 | V68-E165 HydrophobicContact CG1-CB 4.08Å; D163-E165 VanDerWaalsContact C-N 3.27Å; D163-E165 PolarHBondContact O-N 3.45Å; D163-E165 PolarHBondContact OD1-N 3.4Å; E165-K168 PolarHBondContact O-N 3.44Å; E165-M169 WeakPolarHBondContact O-CB 3.28Å; E165-M169 PolarHBondContact O-N 3.15Å |
| 166 | F | 97.4 | Very high | 94.6 | Very high | 22 Ų | 22 | 66 Ų | 66 | 10% | 0.096 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 174.6 | 176.6 | -84.8 | 0 | 0 | 0 | 111.4 | I57 T60 V61 V68 L162 D163 K168 M169 A170 | I57-F166 HydrophobicContact CD1-CE2 4.01Å; I57-F166 HydrophobicContact CD1-CZ 3.71Å; I57-F166 HydrophobicContact CG1-CE2 3.89Å; I57-F166 HydrophobicContact CG1-CZ 3.9Å; T60-F166 WeakPolarHBondContact OG1-CE2 3Å; V61-F166 HydrophobicContact CG2-CD2 4.28Å; V61-F166 HydrophobicContact CG2-CE2 3.62Å; V61-F166 HydrophobicContact CG2-CZ 4.11Å; V68-F166 HydrophobicContact CG1-CB 4.38Å; V68-F166 HydrophobicContact CG2-CB 4.45Å; V68-F166 HydrophobicContact CG2-CD2 3.97Å; L162-F166 HydrophobicContact CB-CD1 3.79Å; L162-F166 HydrophobicContact CB-CE1 4.28Å; L162-F166 HydrophobicContact CB-CG 4.32Å; L162-F166 HydrophobicContact CD1-CD1 4.18Å; L162-F166 HydrophobicContact CD1-CE1 3.79Å; L162-F166 HydrophobicContact CD1-CZ 4.39Å; L162-F166 HydrophobicContact CD2-CD1 3.9Å; L162-F166 HydrophobicContact CD2-CD2 4.19Å; L162-F166 HydrophobicContact CD2-CE1 3.91Å; L162-F166 HydrophobicContact CD2-CE2 4.18Å; L162-F166 HydrophobicContact CD2-CG 4.05Å; L162-F166 HydrophobicContact CD2-CZ 4.04Å; L162-F166 HydrophobicContact CG-CD1 4.15Å; L162-F166 HydrophobicContact CG-CE1 4.2Å; D163-F166 PolarHBondContact O-N 3.4Å; D163-F166 PolarHBondContact OD1-N 3.18Å; D163-F166 VanDerWaalsContact OD1-N 3.12Å; F166-K168 VanDerWaalsContact C-N 3.35Å; F166-K168 PolarHBondContact O-N 2.85Å; F166-M169 HydrophobicContact CD2-CE 4Å; F166-M169 HydrophobicContact CE2-CE 4.1Å; F166-M169 PolarHBondContact O-N 3.32Å; F166-A170 PolarHBondContact O-N 3.4Å |
| 167 | V | 95.7 | Very high | 95 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | -179.9 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | K157 D163 E164 M169 A170 Y171 | K157-V167 HydrophobicContact CD-CG2 4.47Å; D163-V167 WeakPolarHBondContact O-CG2 3.45Å; D163-V167 PolarHBondContact O-N 2.79Å; E164-V167 PolarHBondContact O-N 3.02Å; V167-M169 PolarHBondContact O-N 2.83Å; V167-A170 PolarHBondContact O-N 2.74Å; V167-Y171 HydrophobicContact CG1-CD2 3.85Å; V167-Y171 HydrophobicContact CG1-CE2 3.81Å; V167-Y171 VanDerWaalsContact O-CD2 3.3Å; V167-Y171 WeakPolarHBondContact O-CD2 3.36Å; V167-Y171 PolarHBondContact O-N 3.01Å |
| 168 | K | 97.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 62.8 Ų | 62.8 | 43% | 0.426 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 177 | -174.8 | -172.4 | 178.6 | -56.6 | 0 | 111.7 | E164 E165 F166 A170 Y171 D172 | E164-K168 WeakPolarHBondContact O-CB 3.35Å; E164-K168 PolarHBondContact O-N 3.12Å; E165-K168 PolarHBondContact O-N 3.44Å; F166-K168 VanDerWaalsContact C-N 3.35Å; F166-K168 PolarHBondContact O-N 2.85Å; K168-A170 VanDerWaalsContact C-N 3.3Å; K168-A170 PolarHBondContact O-N 3.35Å; K168-Y171 PolarHBondContact O-N 3.2Å; K168-D172 IonicContact NZ-OD2 2.82Å; K168-D172 PolarHBondContact NZ-OD2 3.5Å; K168-D172 WeakPolarHBondContact O-CB 3.39Å; K168-D172 PolarHBondContact O-N 3.12Å |
| 169 | M | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 178.7 | 176.2 | -78.5 | -69.6 | 0 | 0 | 111.6 | I57 V68 W71 L75 P106 E165 F166 V167 S173 | I57-M169 HydrophobicContact CD1-CE 4.17Å; V68-M169 HydrophobicContact CG1-CB 4.07Å; V68-M169 HydrophobicContact CG1-CE 4.47Å; V68-M169 HydrophobicContact CG1-CG 4.49Å; V68-M169 HydrophobicContact CG2-CE 4.24Å; W71-M169 HydrophobicContact CB-CG 3.98Å; W71-M169 HydrophobicContact CB-SD 4.43Å; L75-M169 HydrophobicContact CD1-CG 4.3Å; P106-M169 HydrophobicContact CG-CG 4.39Å; P106-M169 HydrophobicContact CG-SD 3.36Å; P106-M169 WeakPolarHBondContact CG-SD 3.25Å; E165-M169 WeakPolarHBondContact O-CB 3.28Å; E165-M169 PolarHBondContact O-N 3.15Å; F166-M169 HydrophobicContact CD2-CE 4Å; F166-M169 HydrophobicContact CE2-CE 4.1Å; F166-M169 PolarHBondContact O-N 3.32Å; V167-M169 PolarHBondContact O-N 2.83Å; M169-S173 WeakPolarHBondContact O-CB 3.37Å; M169-S173 PolarHBondContact O-N 3.34Å; M169-S173 PolarHBondContact O-OG 3.05Å |
| 170 | A | 97.6 | Very high | 96 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 13% | 0.132 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I57 I105 F166 V167 K168 S173 L174 | I57-A170 HydrophobicContact CD1-CB 4.45Å; I105-A170 HydrophobicContact CD1-CB 4.08Å; F166-A170 PolarHBondContact O-N 3.4Å; V167-A170 PolarHBondContact O-N 2.74Å; K168-A170 VanDerWaalsContact C-N 3.3Å; K168-A170 PolarHBondContact O-N 3.35Å; A170-S173 WeakPolarHBondContact O-CB 3.24Å; A170-S173 PolarHBondContact O-N 2.93Å; A170-L174 PolarHBondContact O-N 3.43Å |
| 171 | Y | 97.1 | Very high | 96.1 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 176.5 | -86.2 | -101.8 | 0 | 0 | 0 | 112.1 | L142 V167 K168 S173 L174 K175 F185 | L142-Y171 HydrophobicContact CD2-CE1 3.82Å; L142-Y171 HydrophobicContact CD2-CE2 3.85Å; L142-Y171 WeakPolarHBondContact CD2-OH 3.36Å; V167-Y171 HydrophobicContact CG1-CD2 3.85Å; V167-Y171 HydrophobicContact CG1-CE2 3.81Å; V167-Y171 VanDerWaalsContact O-CD2 3.3Å; V167-Y171 WeakPolarHBondContact O-CD2 3.36Å; V167-Y171 PolarHBondContact O-N 3.01Å; K168-Y171 PolarHBondContact O-N 3.2Å; Y171-S173 VanDerWaalsContact C-N 3.25Å; Y171-S173 PolarHBondContact O-N 3.32Å; Y171-L174 PolarHBondContact O-N 3.05Å; Y171-K175 WeakPolarHBondContact O-CG 3.37Å; Y171-K175 PolarHBondContact O-N 2.88Å; Y171-F185 HydrophobicContact CD1-CD1 4.48Å; Y171-F185 AromaticContact CD1-CD2 3.65Å; Y171-F185 HydrophobicContact CD1-CD2 3.65Å; Y171-F185 HydrophobicContact CD1-CE1 4.33Å; Y171-F185 AromaticContact CD1-CE2 3.48Å; Y171-F185 HydrophobicContact CD1-CE2 3.48Å; Y171-F185 VanDerWaalsContact CD1-CE2 3.48Å; Y171-F185 HydrophobicContact CD1-CG 4.15Å; Y171-F185 AromaticContact CD1-CZ 3.82Å; Y171-F185 HydrophobicContact CD1-CZ 3.82Å; Y171-F185 HydrophobicContact CE1-CB 4.33Å; Y171-F185 HydrophobicContact CE1-CD1 4.34Å; Y171-F185 AromaticContact CE1-CD2 3.73Å; Y171-F185 HydrophobicContact CE1-CD2 3.73Å; Y171-F185 HydrophobicContact CE1-CE2 4.05Å; Y171-F185 AromaticContact CE1-CG 3.87Å; Y171-F185 HydrophobicContact CE1-CG 3.87Å; Y171-F185 HydrophobicContact CE1-CZ 4.46Å |
| 172 | D | 98 | Very high | 96.2 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 176.7 | -76.7 | -4.2 | 0 | 0 | 0 | 111.7 | Q72 L75 K168 K175 F176 | Q72-D172 PolarHBondContact NE2-OD2 2.93Å; Q72-D172 PolarHBondContact OE1-OD2 3.21Å; L75-D172 HydrophobicContact CD1-CB 4.05Å; K168-D172 IonicContact NZ-OD2 2.82Å; K168-D172 PolarHBondContact NZ-OD2 3.5Å; K168-D172 WeakPolarHBondContact O-CB 3.39Å; K168-D172 PolarHBondContact O-N 3.12Å; D172-K175 PolarHBondContact O-N 2.96Å; D172-F176 VanDerWaalsContact O-CB 3.27Å; D172-F176 WeakPolarHBondContact O-CB 3.35Å; D172-F176 PolarHBondContact O-N 3.35Å |
| 173 | S | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | P106 M169 A170 Y171 F176 A177 | P106-S173 VanDerWaalsContact CB-OG 3.25Å; P106-S173 WeakPolarHBondContact CB-OG 3.38Å; P106-S173 VanDerWaalsContact CG-OG 3.28Å; P106-S173 WeakPolarHBondContact CG-OG 3.3Å; M169-S173 WeakPolarHBondContact O-CB 3.37Å; M169-S173 PolarHBondContact O-N 3.34Å; M169-S173 PolarHBondContact O-OG 3.05Å; A170-S173 WeakPolarHBondContact O-CB 3.24Å; A170-S173 PolarHBondContact O-N 2.93Å; Y171-S173 VanDerWaalsContact C-N 3.25Å; Y171-S173 PolarHBondContact O-N 3.32Å; S173-F176 PolarHBondContact O-N 3.09Å; S173-A177 WeakPolarHBondContact O-CB 3.31Å; S173-A177 PolarHBondContact O-N 3.2Å |
| 174 | L | 98.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.8 | -46.6 | 176.4 | -74 | 173.1 | 0 | 0 | 0 | 111.3 | L34 P35 I105 L142 A170 Y171 F176 A177 F178 F185 | L34-L174 HydrophobicContact CD2-CD2 4.48Å; P35-L174 HydrophobicContact CG-CD2 4.03Å; I105-L174 HydrophobicContact CG2-CD2 4.26Å; L142-L174 HydrophobicContact CD1-CD1 3.67Å; A170-L174 PolarHBondContact O-N 3.43Å; Y171-L174 PolarHBondContact O-N 3.05Å; L174-F176 VanDerWaalsContact C-N 3.28Å; L174-F176 PolarHBondContact O-N 3.47Å; L174-A177 PolarHBondContact O-N 3.1Å; L174-F178 HydrophobicContact CB-CD2 4.29Å; L174-F178 HydrophobicContact CB-CE2 3.98Å; L174-F178 HydrophobicContact CD2-CE2 4.15Å; L174-F178 HydrophobicContact CD2-CZ 4.1Å; L174-F178 WeakPolarHBondContact O-CB 3.45Å; L174-F178 WeakPolarHBondContact O-CD2 3.2Å; L174-F178 WeakPolarHBondContact O-CG 3.48Å; L174-F178 PolarHBondContact O-N 3.18Å; L174-F185 HydrophobicContact CB-CE1 4.03Å; L174-F185 HydrophobicContact CB-CZ 4.05Å; L174-F185 HydrophobicContact CD1-CE1 3.87Å; L174-F185 HydrophobicContact CD1-CZ 4.5Å |
| 175 | K | 98.2 | Very high | 96.3 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.2 | -44.6 | 174.3 | -76.8 | 179.7 | 176.8 | -166.7 | 0 | 112.3 | Y171 D172 F178 H179 K180 H181 L183 F185 | Y171-K175 WeakPolarHBondContact O-CG 3.37Å; Y171-K175 PolarHBondContact O-N 2.88Å; D172-K175 PolarHBondContact O-N 2.96Å; K175-F178 PolarHBondContact O-N 2.96Å; K175-H179 PolarHBondContact O-N 3.01Å; K175-K180 WeakPolarHBondContact CA-O 3.4Å; K175-K180 WeakPolarHBondContact CB-O 3.47Å; K175-K180 WeakPolarHBondContact CG-O 3.24Å; K175-K180 PolarHBondContact O-N 2.91Å; K175-H181 WeakPolarHBondContact CD-O 3.2Å; K175-H181 PolarHBondContact NZ-O 3.45Å; K175-L183 HydrophobicContact CG-CB 4.49Å; K175-F185 HydrophobicContact CG-CE2 4.07Å; K175-F185 HydrophobicContact CG-CZ 4.04Å |
| 176 | F | 98.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 10% | 0.096 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -50.1 | 176.1 | 175.7 | -122.4 | 0 | 0 | 0 | 111.3 | L75 V78 Q79 G109 F110 D172 S173 L174 F178 H179 | L75-F176 HydrophobicContact CD2-CB 3.65Å; L75-F176 HydrophobicContact CD2-CD1 3.66Å; L75-F176 HydrophobicContact CD2-CG 3.83Å; V78-F176 HydrophobicContact CB-CE2 4.34Å; V78-F176 HydrophobicContact CB-CZ 4.32Å; V78-F176 HydrophobicContact CG1-CD2 3.91Å; V78-F176 HydrophobicContact CG1-CE1 4.18Å; V78-F176 HydrophobicContact CG1-CE2 3.45Å; V78-F176 VanDerWaalsContact CG1-CE2 3.45Å; V78-F176 HydrophobicContact CG1-CG 4.47Å; V78-F176 HydrophobicContact CG1-CZ 3.61Å; V78-F176 HydrophobicContact CG2-CE2 3.9Å; V78-F176 HydrophobicContact CG2-CZ 3.76Å; Q79-F176 HydrophobicContact CG-CD2 4.46Å; G109-F176 WeakPolarHBondContact O-CE1 3.43Å; F110-F176 AromaticContact CD1-CE1 3.96Å; F110-F176 HydrophobicContact CD1-CE1 3.96Å; F110-F176 HydrophobicContact CD1-CZ 4.33Å; F110-F176 HydrophobicContact CD2-CD1 4.19Å; F110-F176 AromaticContact CD2-CE1 3.72Å; F110-F176 HydrophobicContact CD2-CE1 3.72Å; F110-F176 AromaticContact CE1-CE1 3.95Å; F110-F176 HydrophobicContact CE1-CE1 3.95Å; F110-F176 HydrophobicContact CE1-CZ 4.24Å; F110-F176 AromaticContact CE2-CD1 3.93Å; F110-F176 HydrophobicContact CE2-CD1 3.93Å; F110-F176 AromaticContact CE2-CE1 3.71Å; F110-F176 HydrophobicContact CE2-CE1 3.71Å; F110-F176 AromaticContact CG-CE1 3.85Å; F110-F176 HydrophobicContact CG-CE1 3.85Å; F110-F176 HydrophobicContact CZ-CD1 4.25Å; F110-F176 AromaticContact CZ-CE1 3.82Å; F110-F176 HydrophobicContact CZ-CE1 3.82Å; F110-F176 HydrophobicContact CZ-CZ 4.42Å; D172-F176 VanDerWaalsContact O-CB 3.27Å; D172-F176 WeakPolarHBondContact O-CB 3.35Å; D172-F176 PolarHBondContact O-N 3.35Å; S173-F176 PolarHBondContact O-N 3.09Å; L174-F176 VanDerWaalsContact C-N 3.28Å; L174-F176 PolarHBondContact O-N 3.47Å; F176-F178 VanDerWaalsContact C-N 3.28Å; F176-F178 PolarHBondContact O-N 3.31Å; F176-H179 PolarHBondContact O-CD2 3.09Å; F176-H179 PolarHBondContact O-N 3.46Å |
| 177 | A | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.9 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L34 S173 L174 H179 Y198 | L34-A177 HydrophobicContact CD2-CB 4.13Å; S173-A177 WeakPolarHBondContact O-CB 3.31Å; S173-A177 PolarHBondContact O-N 3.2Å; L174-A177 PolarHBondContact O-N 3.1Å; A177-H179 VanDerWaalsContact C-N 3.27Å; A177-H179 PolarHBondContact O-N 3.47Å; A177-Y198 HydrophobicContact CB-CD2 4.15Å; A177-Y198 HydrophobicContact CB-CE2 3.85Å; A177-Y198 VanDerWaalsContact O-CD2 3.23Å; A177-Y198 WeakPolarHBondContact O-CD2 3.4Å |
| 178 | F | 98 | Very high | 96.4 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.057 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -3.7 | 178.8 | -59.1 | -36.4 | 0 | 0 | 0 | 114.5 | L34 W133 L174 K175 F176 K180 L183 L191 C194 | L34-F178 HydrophobicContact CD1-CE1 3.71Å; L34-F178 HydrophobicContact CD1-CZ 4.37Å; L34-F178 HydrophobicContact CD2-CE1 3.81Å; L34-F178 HydrophobicContact CD2-CZ 4.31Å; L34-F178 HydrophobicContact CG-CE1 4.43Å; W133-F178 HydrophobicContact CH2-CZ 4.36Å; W133-F178 HydrophobicContact CZ2-CZ 4.47Å; L174-F178 HydrophobicContact CB-CD2 4.29Å; L174-F178 HydrophobicContact CB-CE2 3.98Å; L174-F178 HydrophobicContact CD2-CE2 4.15Å; L174-F178 HydrophobicContact CD2-CZ 4.1Å; L174-F178 WeakPolarHBondContact O-CB 3.45Å; L174-F178 WeakPolarHBondContact O-CD2 3.2Å; L174-F178 WeakPolarHBondContact O-CG 3.48Å; L174-F178 PolarHBondContact O-N 3.18Å; K175-F178 PolarHBondContact O-N 2.96Å; F176-F178 VanDerWaalsContact C-N 3.28Å; F176-F178 PolarHBondContact O-N 3.31Å; F178-K180 PolarHBondContact O-N 3.28Å; F178-L183 HydrophobicContact CD2-CD2 3.56Å; F178-L183 HydrophobicContact CE2-CD2 4.09Å; F178-L191 HydrophobicContact CE2-CD2 4.43Å; F178-C194 HydrophobicContact CB-CB 4.16Å; F178-C194 HydrophobicContact CD1-CB 3.65Å; F178-C194 HydrophobicContact CD2-CB 4.01Å; F178-C194 HydrophobicContact CE1-CB 3.92Å; F178-C194 HydrophobicContact CE2-CB 4.27Å; F178-C194 HydrophobicContact CG-CB 3.69Å; F178-C194 HydrophobicContact CZ-CB 4.23Å |
| 179 | H | 95.9 | Very high | 96.4 | Very high | 116 Ų | 116 | 51.7 Ų | 51.7 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.7 | -172 | -59.6 | 167.8 | 0 | 0 | 0 | 113.7 | K175 F176 A177 M201 | K175-H179 PolarHBondContact O-N 3.01Å; F176-H179 PolarHBondContact O-CD2 3.09Å; F176-H179 PolarHBondContact O-N 3.46Å; A177-H179 VanDerWaalsContact C-N 3.27Å; A177-H179 PolarHBondContact O-N 3.47Å; H179-M201 PolarHBondContact CE1-SD 3.39Å |
| 180 | K | 94.8 | Very high | 96.4 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.265 | 27% | 0.266 | S | S | . | . | trans | -128.9 | 112.1 | 179 | -66.3 | -173 | -154.8 | -71.2 | 0 | 110.7 | K175 F178 L183 C194 E197 | K175-K180 WeakPolarHBondContact CA-O 3.4Å; K175-K180 WeakPolarHBondContact CB-O 3.47Å; K175-K180 WeakPolarHBondContact CG-O 3.24Å; K175-K180 PolarHBondContact O-N 2.91Å; F178-K180 PolarHBondContact O-N 3.28Å; K180-L183 HydrophobicContact CB-CB 4.41Å; K180-L183 HydrophobicContact CD-CD1 4.27Å; K180-C194 WeakPolarHBondContact CE-SG 3.4Å; K180-E197 IonicContact NZ-OE2 2.75Å; K180-E197 PolarHBondContact NZ-OE2 3.29Å | ||
| 181 | H | 88.8 | Confident | 96.4 | Very high | 128 Ų | 128 | 52.7 Ų | 52.7 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -70.6 | -38.1 | 177.2 | -62.1 | -67.9 | 0 | 0 | 0 | 112.4 | Q79 K175 | Q79-H181 PolarHBondContact OE1-CE1 3.29Å; Q79-H181 PolarHBondContact OE1-ND1 3.04Å; K175-H181 WeakPolarHBondContact CD-O 3.2Å; K175-H181 PolarHBondContact NZ-O 3.45Å |
| 182 | E | 91.1 | Very high | 96.5 | Very high | 183 Ų | 183 | 50.2 Ų | 50.2 | 86% | 0.855 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -110.2 | 125.5 | 172.1 | -64.8 | -171.2 | 164.6 | 0 | 0 | 108.5 | ||
| 183 | L | 93.8 | Very high | 96.5 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | trans | -149.7 | 122.6 | -177.2 | 176 | 58.5 | 0 | 0 | 0 | 107.6 | K175 F178 K180 F185 V190 L191 | K175-L183 HydrophobicContact CG-CB 4.49Å; F178-L183 HydrophobicContact CD2-CD2 3.56Å; F178-L183 HydrophobicContact CE2-CD2 4.09Å; K180-L183 HydrophobicContact CB-CB 4.41Å; K180-L183 HydrophobicContact CD-CD1 4.27Å; L183-F185 HydrophobicContact CB-CE2 4.18Å; L183-F185 HydrophobicContact CD2-CD1 4.27Å; L183-F185 HydrophobicContact CD2-CD2 4.48Å; L183-F185 HydrophobicContact CD2-CE1 3.79Å; L183-F185 HydrophobicContact CD2-CE2 4Å; L183-F185 HydrophobicContact CD2-CZ 3.66Å; L183-F185 HydrophobicContact CG-CD2 4.27Å; L183-F185 HydrophobicContact CG-CE2 4.13Å; L183-F185 HydrophobicContact CG-CZ 4.29Å; L183-F185 PolarHBondContact O-N 3.46Å; L183-V190 HydrophobicContact CD1-CB 4.48Å; L183-V190 HydrophobicContact CD1-CG1 3.33Å; L183-L191 HydrophobicContact CD2-CD2 4.33Å | ||
| 184 | D | 95.1 | Very high | 96.5 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | trans | -78.2 | 107 | 167.3 | -173 | -6.1 | 0 | 0 | 0 | 108.6 | D186 D187 | D184-D186 PolarHBondContact O-N 2.95Å; D184-D186 WeakPolarHBondContact OD1-CB 3.31Å; D184-D186 PolarHBondContact OD1-N 3.5Å; D184-D187 HydrophobicContact CB-CB 4.29Å; D184-D187 PolarHBondContact O-N 3.11Å | ||
| 185 | F | 96.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.6 | 178 | -76.9 | -87.1 | 0 | 0 | 0 | 112.9 | R138 L142 Y171 L174 K175 L183 L191 | R138-F185 PolarHBondContact NH1-O 2.87Å; R138-F185 PolarHBondContact NH2-O 3.49Å; L142-F185 HydrophobicContact CD1-CD1 3.85Å; L142-F185 HydrophobicContact CD1-CE1 4.16Å; Y171-F185 HydrophobicContact CD1-CD1 4.48Å; Y171-F185 AromaticContact CD1-CD2 3.65Å; Y171-F185 HydrophobicContact CD1-CD2 3.65Å; Y171-F185 HydrophobicContact CD1-CE1 4.33Å; Y171-F185 AromaticContact CD1-CE2 3.48Å; Y171-F185 HydrophobicContact CD1-CE2 3.48Å; Y171-F185 VanDerWaalsContact CD1-CE2 3.48Å; Y171-F185 HydrophobicContact CD1-CG 4.15Å; Y171-F185 AromaticContact CD1-CZ 3.82Å; Y171-F185 HydrophobicContact CD1-CZ 3.82Å; Y171-F185 HydrophobicContact CE1-CB 4.33Å; Y171-F185 HydrophobicContact CE1-CD1 4.34Å; Y171-F185 AromaticContact CE1-CD2 3.73Å; Y171-F185 HydrophobicContact CE1-CD2 3.73Å; Y171-F185 HydrophobicContact CE1-CE2 4.05Å; Y171-F185 AromaticContact CE1-CG 3.87Å; Y171-F185 HydrophobicContact CE1-CG 3.87Å; Y171-F185 HydrophobicContact CE1-CZ 4.46Å; L174-F185 HydrophobicContact CB-CE1 4.03Å; L174-F185 HydrophobicContact CB-CZ 4.05Å; L174-F185 HydrophobicContact CD1-CE1 3.87Å; L174-F185 HydrophobicContact CD1-CZ 4.5Å; K175-F185 HydrophobicContact CG-CE2 4.07Å; K175-F185 HydrophobicContact CG-CZ 4.04Å; L183-F185 HydrophobicContact CB-CE2 4.18Å; L183-F185 HydrophobicContact CD2-CD1 4.27Å; L183-F185 HydrophobicContact CD2-CD2 4.48Å; L183-F185 HydrophobicContact CD2-CE1 3.79Å; L183-F185 HydrophobicContact CD2-CE2 4Å; L183-F185 HydrophobicContact CD2-CZ 3.66Å; L183-F185 HydrophobicContact CG-CD2 4.27Å; L183-F185 HydrophobicContact CG-CE2 4.13Å; L183-F185 HydrophobicContact CG-CZ 4.29Å; L183-F185 PolarHBondContact O-N 3.46Å; F185-L191 HydrophobicContact CD1-CD2 3.95Å; F185-L191 HydrophobicContact CE1-CD2 4.42Å; F185-L191 WeakPolarHBondContact O-CD1 3.44Å |
| 186 | D | 96.4 | Very high | 96.5 | Very high | 48 Ų | 48 | 53.4 Ų | 53.4 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -15.8 | 174.8 | -76.7 | -16.4 | 0 | 0 | 0 | 113 | R138 K144 T145 D184 D188 | R138-D186 VanDerWaalsContact NH2-C 3.3Å; R138-D186 PolarHBondContact NH2-O 2.96Å; R138-D186 VanDerWaalsContact NH2-O 3.16Å; K144-D186 VanDerWaalsContact CA-OD1 3.23Å; K144-D186 WeakPolarHBondContact CA-OD1 3.39Å; K144-D186 WeakPolarHBondContact CE-O 3.17Å; T145-D186 WeakPolarHBondContact CB-OD2 3.49Å; T145-D186 PolarHBondContact N-OD1 3.25Å; T145-D186 PolarHBondContact N-OD2 2.94Å; T145-D186 PolarHBondContact OG1-OD1 3.48Å; T145-D186 PolarHBondContact OG1-OD2 2.99Å; D184-D186 PolarHBondContact O-N 2.95Å; D184-D186 WeakPolarHBondContact OD1-CB 3.31Å; D184-D186 PolarHBondContact OD1-N 3.5Å; D186-D188 PolarHBondContact O-N 3.37Å |
| 187 | D | 97 | Very high | 96.5 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | trans | -81.3 | 106.1 | 176.1 | -167 | -31 | 0 | 0 | 0 | 111.4 | D184 T189 V190 L191 | D184-D187 HydrophobicContact CB-CB 4.29Å; D184-D187 PolarHBondContact O-N 3.11Å; D187-T189 VanDerWaalsContact C-N 3.31Å; D187-T189 PolarHBondContact O-N 2.8Å; D187-T189 WeakPolarHBondContact OD1-CA 3.17Å; D187-T189 WeakPolarHBondContact OD1-CB 3.4Å; D187-T189 PolarHBondContact OD1-N 3.16Å; D187-V190 HydrophobicContact CB-CB 3.99Å; D187-V190 HydrophobicContact CB-CG2 3.87Å; D187-V190 VanDerWaalsContact CG-CG2 3.45Å; D187-V190 PolarHBondContact O-N 3.35Å; D187-V190 PolarHBondContact OD1-N 3.26Å; D187-V190 WeakPolarHBondContact OD2-CG2 3.15Å; D187-L191 PolarHBondContact O-N 3.27Å | ||
| 188 | D | 97.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 56.9 Ų | 56.9 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 179.3 | -70.5 | -23.4 | 0 | 0 | 0 | 112.9 | L134 R138 K144 D186 L192 | L134-D188 HydrophobicContact CD2-CB 3.66Å; R138-D188 IonicContact CZ-OD1 3.75Å; R138-D188 VanDerWaalsContact CZ-OD1 3.22Å; R138-D188 IonicContact NE-OD1 2.62Å; R138-D188 PolarHBondContact NE-OD1 2.86Å; R138-D188 IonicContact NH2-OD1 2.85Å; R138-D188 PolarHBondContact NH2-OD1 3.48Å; K144-D188 VanDerWaalsContact CE-CG 3.43Å; K144-D188 VanDerWaalsContact CE-OD1 3.24Å; K144-D188 WeakPolarHBondContact CE-OD1 3.21Å; K144-D188 WeakPolarHBondContact CE-OD2 3.07Å; K144-D188 IonicContact NZ-OD1 2.85Å; K144-D188 IonicContact NZ-OD2 3.22Å; K144-D188 PolarHBondContact NZ-OD2 2.85Å; D186-D188 PolarHBondContact O-N 3.37Å; D188-L192 VanDerWaalsContact O-CB 3.31Å; D188-L192 WeakPolarHBondContact O-CB 3.39Å; D188-L192 WeakPolarHBondContact O-CD1 3.49Å; D188-L192 WeakPolarHBondContact O-CG 3.33Å; D188-L192 PolarHBondContact O-N 2.92Å |
| 189 | T | 98 | Very high | 96.6 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 54% | 0.54 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -47.3 | 179.2 | -51.3 | 0 | 0 | 0 | 0 | 109.1 | D187 L191 L192 E193 | D187-T189 VanDerWaalsContact C-N 3.31Å; D187-T189 PolarHBondContact O-N 2.8Å; D187-T189 WeakPolarHBondContact OD1-CA 3.17Å; D187-T189 WeakPolarHBondContact OD1-CB 3.4Å; D187-T189 PolarHBondContact OD1-N 3.16Å; T189-L191 PolarHBondContact O-N 3.04Å; T189-L192 PolarHBondContact O-N 3.08Å; T189-E193 WeakPolarHBondContact O-CG 3.4Å; T189-E193 PolarHBondContact O-N 2.9Å |
| 190 | V | 97.5 | Very high | 96.7 | Very high | 37 Ų | 37 | 57 Ų | 57 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | L183 D187 L192 E193 C194 | L183-V190 HydrophobicContact CD1-CB 4.48Å; L183-V190 HydrophobicContact CD1-CG1 3.33Å; D187-V190 HydrophobicContact CB-CB 3.99Å; D187-V190 HydrophobicContact CB-CG2 3.87Å; D187-V190 VanDerWaalsContact CG-CG2 3.45Å; D187-V190 PolarHBondContact O-N 3.35Å; D187-V190 PolarHBondContact OD1-N 3.26Å; D187-V190 WeakPolarHBondContact OD2-CG2 3.15Å; V190-L192 VanDerWaalsContact C-N 3.34Å; V190-L192 PolarHBondContact O-N 3.26Å; V190-E193 PolarHBondContact O-N 2.89Å; V190-C194 WeakPolarHBondContact O-CB 3.36Å; V190-C194 PolarHBondContact O-N 3Å; V190-C194 PolarHBondContact O-SG 3.31Å |
| 191 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.2 | -76.1 | -177.6 | 0 | 0 | 0 | 112.9 | W133 L134 L137 F178 L183 F185 D187 T189 C194 F195 | W133-L191 HydrophobicContact CZ3-CB 4.45Å; L134-L191 HydrophobicContact CD1-CB 4.19Å; L134-L191 HydrophobicContact CD1-CD1 3.98Å; L137-L191 HydrophobicContact CD2-CD1 4.01Å; F178-L191 HydrophobicContact CE2-CD2 4.43Å; L183-L191 HydrophobicContact CD2-CD2 4.33Å; F185-L191 HydrophobicContact CD1-CD2 3.95Å; F185-L191 HydrophobicContact CE1-CD2 4.42Å; F185-L191 WeakPolarHBondContact O-CD1 3.44Å; D187-L191 PolarHBondContact O-N 3.27Å; T189-L191 PolarHBondContact O-N 3.04Å; L191-C194 PolarHBondContact O-N 3.41Å; L191-F195 WeakPolarHBondContact O-CB 3.49Å; L191-F195 PolarHBondContact O-N 2.99Å |
| 192 | L | 98.5 | Very high | 97.4 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 177.1 | -76.9 | 171.1 | 0 | 0 | 0 | 111.4 | R130 L134 D188 T189 V190 F195 D196 | R130-L192 HydrophobicContact CB-CD2 3.86Å; R130-L192 HydrophobicContact CG-CD2 4.01Å; R130-L192 PolarHBondContact NH2-O 3.24Å; R130-L192 VanDerWaalsContact O-CD2 3.24Å; R130-L192 WeakPolarHBondContact O-CD2 3.28Å; L134-L192 HydrophobicContact CB-CD2 3.85Å; L134-L192 HydrophobicContact CB-CG 4.38Å; L134-L192 HydrophobicContact CD2-CD1 3.82Å; L134-L192 HydrophobicContact CD2-CD2 4.16Å; L134-L192 HydrophobicContact CD2-CG 3.85Å; D188-L192 VanDerWaalsContact O-CB 3.31Å; D188-L192 WeakPolarHBondContact O-CB 3.39Å; D188-L192 WeakPolarHBondContact O-CD1 3.49Å; D188-L192 WeakPolarHBondContact O-CG 3.33Å; D188-L192 PolarHBondContact O-N 2.92Å; T189-L192 PolarHBondContact O-N 3.08Å; V190-L192 VanDerWaalsContact C-N 3.34Å; V190-L192 PolarHBondContact O-N 3.26Å; L192-F195 PolarHBondContact O-N 3.46Å; L192-D196 PolarHBondContact O-N 3.38Å |
| 193 | E | 98.2 | Very high | 97.7 | Very high | 93 Ų | 93 | 43.9 Ų | 43.9 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 173.4 | -73 | 173 | 175.8 | 0 | 0 | 111.1 | T189 V190 F195 D196 E197 | T189-E193 WeakPolarHBondContact O-CG 3.4Å; T189-E193 PolarHBondContact O-N 2.9Å; V190-E193 PolarHBondContact O-N 2.89Å; E193-F195 PolarHBondContact O-N 3.37Å; E193-D196 PolarHBondContact O-N 3.04Å; E193-D196 VanDerWaalsContact O-N 3.16Å; E193-E197 WeakPolarHBondContact O-CB 3.45Å; E193-E197 WeakPolarHBondContact O-CG 3.36Å; E193-E197 PolarHBondContact O-N 2.95Å |
| 194 | C | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.8 | -39.6 | 176 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | F178 K180 V190 L191 Y198 | F178-C194 HydrophobicContact CB-CB 4.16Å; F178-C194 HydrophobicContact CD1-CB 3.65Å; F178-C194 HydrophobicContact CD2-CB 4.01Å; F178-C194 HydrophobicContact CE1-CB 3.92Å; F178-C194 HydrophobicContact CE2-CB 4.27Å; F178-C194 HydrophobicContact CG-CB 3.69Å; F178-C194 HydrophobicContact CZ-CB 4.23Å; K180-C194 WeakPolarHBondContact CE-SG 3.4Å; V190-C194 WeakPolarHBondContact O-CB 3.36Å; V190-C194 PolarHBondContact O-N 3Å; V190-C194 PolarHBondContact O-SG 3.31Å; L191-C194 PolarHBondContact O-N 3.41Å; C194-Y198 WeakPolarHBondContact O-CB 3.42Å; C194-Y198 PolarHBondContact O-N 3.06Å |
| 195 | F | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 177.9 | 178.7 | -100.2 | 0 | 0 | 0 | 112.3 | L34 T37 I127 R130 W133 L191 L192 E193 N199 | L34-F195 HydrophobicContact CD1-CD2 3.6Å; L34-F195 HydrophobicContact CD1-CE2 4.13Å; T37-F195 HydrophobicContact CG2-CE2 3.71Å; T37-F195 HydrophobicContact CG2-CZ 4.23Å; I127-F195 HydrophobicContact CG1-CZ 4.46Å; R130-F195 HydrophobicContact CB-CD1 3.72Å; R130-F195 HydrophobicContact CB-CE1 3.83Å; W133-F195 HydrophobicContact CB-CE2 4.18Å; W133-F195 HydrophobicContact CB-CZ 4.17Å; W133-F195 AromaticContact CD1-CE2 3.67Å; W133-F195 HydrophobicContact CD2-CB 4.45Å; W133-F195 AromaticContact CD2-CD2 3.35Å; W133-F195 HydrophobicContact CD2-CD2 3.35Å; W133-F195 AromaticContact CD2-CE2 3.63Å; W133-F195 HydrophobicContact CD2-CE2 3.63Å; W133-F195 AromaticContact CD2-CG 3.93Å; W133-F195 HydrophobicContact CD2-CG 3.93Å; W133-F195 HydrophobicContact CD2-CZ 4.38Å; W133-F195 AromaticContact CE2-CD2 3.44Å; W133-F195 VanDerWaalsContact CE2-CD2 3.44Å; W133-F195 AromaticContact CE2-CE2 3.81Å; W133-F195 HydrophobicContact CE3-CB 3.86Å; W133-F195 HydrophobicContact CE3-CD1 4.4Å; W133-F195 AromaticContact CE3-CD2 3.63Å; W133-F195 HydrophobicContact CE3-CD2 3.63Å; W133-F195 HydrophobicContact CE3-CE2 4.27Å; W133-F195 AromaticContact CE3-CG 3.71Å; W133-F195 HydrophobicContact CE3-CG 3.71Å; W133-F195 AromaticContact CG-CD2 3.83Å; W133-F195 HydrophobicContact CG-CD2 3.83Å; W133-F195 AromaticContact CG-CE2 3.55Å; W133-F195 HydrophobicContact CG-CE2 3.55Å; W133-F195 HydrophobicContact CG-CZ 4.04Å; W133-F195 HydrophobicContact CH2-CB 3.88Å; W133-F195 HydrophobicContact CH2-CD2 4.04Å; W133-F195 HydrophobicContact CH2-CG 4.32Å; W133-F195 HydrophobicContact CZ2-CB 4.47Å; W133-F195 AromaticContact CZ2-CD2 3.79Å; W133-F195 HydrophobicContact CZ2-CD2 3.79Å; W133-F195 HydrophobicContact CZ3-CB 3.55Å; W133-F195 AromaticContact CZ3-CD2 3.97Å; W133-F195 HydrophobicContact CZ3-CD2 3.97Å; W133-F195 AromaticContact CZ3-CG 3.93Å; W133-F195 HydrophobicContact CZ3-CG 3.93Å; W133-F195 AromaticContact NE1-CD2 3.91Å; W133-F195 AromaticContact NE1-CE2 3.81Å; L191-F195 WeakPolarHBondContact O-CB 3.49Å; L191-F195 PolarHBondContact O-N 2.99Å; L192-F195 PolarHBondContact O-N 3.46Å; E193-F195 PolarHBondContact O-N 3.37Å; F195-N199 WeakPolarHBondContact CD1-ND2 3.48Å; F195-N199 WeakPolarHBondContact CE1-ND2 3.48Å; F195-N199 WeakPolarHBondContact CZ-ND2 3.38Å; F195-N199 VanDerWaalsContact O-CG 3.29Å; F195-N199 PolarHBondContact O-N 2.96Å; F195-N199 VanDerWaalsContact O-N 3.13Å; F195-N199 PolarHBondContact O-ND2 3.39Å |
| 196 | D | 98.5 | Very high | 98.2 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.6 | -50.1 | 178.6 | -74.5 | 1.3 | 0 | 0 | 0 | 110.9 | R130 L192 E193 Y198 N199 E200 | R130-D196 VanDerWaalsContact CZ-CG 3.43Å; R130-D196 IonicContact CZ-OD1 2.65Å; R130-D196 IonicContact CZ-OD2 3.52Å; R130-D196 IonicContact NE-OD1 2.8Å; R130-D196 IonicContact NE-OD2 3.76Å; R130-D196 IonicContact NH1-OD1 2.7Å; R130-D196 IonicContact NH1-OD2 3.9Å; R130-D196 PolarHBondContact NH1-OD2 3.32Å; R130-D196 IonicContact NH2-OD1 3.86Å; R130-D196 IonicContact NH2-OD2 3.52Å; R130-D196 PolarHBondContact NH2-OD2 3.24Å; L192-D196 PolarHBondContact O-N 3.38Å; E193-D196 PolarHBondContact O-N 3.04Å; E193-D196 VanDerWaalsContact O-N 3.16Å; D196-Y198 VanDerWaalsContact C-N 3.29Å; D196-Y198 PolarHBondContact O-N 2.95Å; D196-N199 PolarHBondContact O-N 3.44Å; D196-E200 WeakPolarHBondContact O-CB 3.37Å; D196-E200 PolarHBondContact O-N 3.02Å |
| 197 | E | 98.4 | Very high | 98.3 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56 | -43.7 | 178.6 | -72.8 | 178 | 170.6 | 0 | 0 | 111.3 | K180 E193 M201 | K180-E197 IonicContact NZ-OE2 2.75Å; K180-E197 PolarHBondContact NZ-OE2 3.29Å; E193-E197 WeakPolarHBondContact O-CB 3.45Å; E193-E197 WeakPolarHBondContact O-CG 3.36Å; E193-E197 PolarHBondContact O-N 2.95Å; E197-M201 VanDerWaalsContact O-CB 3.24Å; E197-M201 WeakPolarHBondContact O-CB 3.29Å; E197-M201 PolarHBondContact O-N 3.14Å |
| 198 | Y | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -49.2 | 177.5 | 175.3 | -95.9 | 0 | 0 | 0 | 112.3 | A32 L34 C108 L125 A177 C194 D196 E200 M201 V202 | A32-Y198 VanDerWaalsContact O-CE1 3.27Å; A32-Y198 WeakPolarHBondContact O-CE1 3.39Å; A32-Y198 PolarHBondContact O-OH 3.37Å; L34-Y198 HydrophobicContact CD1-CD1 3.47Å; L34-Y198 VanDerWaalsContact CD1-CD1 3.47Å; L34-Y198 HydrophobicContact CD1-CE1 4.06Å; L34-Y198 HydrophobicContact CD1-CG 3.96Å; L34-Y198 HydrophobicContact CD2-CD1 3.95Å; L34-Y198 HydrophobicContact CD2-CD2 4.42Å; L34-Y198 HydrophobicContact CD2-CE1 3.89Å; L34-Y198 HydrophobicContact CD2-CE2 4.37Å; L34-Y198 HydrophobicContact CD2-CG 4.19Å; L34-Y198 HydrophobicContact CG-CD1 3.48Å; L34-Y198 VanDerWaalsContact CG-CD1 3.48Å; L34-Y198 HydrophobicContact CG-CE1 3.51Å; L34-Y198 HydrophobicContact CG-CG 4.15Å; C108-Y198 WeakPolarHBondContact CB-OH 3.33Å; C108-Y198 PolarHBondContact O-OH 3.23Å; L125-Y198 HydrophobicContact CD1-CE1 4.44Å; A177-Y198 HydrophobicContact CB-CD2 4.15Å; A177-Y198 HydrophobicContact CB-CE2 3.85Å; A177-Y198 VanDerWaalsContact O-CD2 3.23Å; A177-Y198 WeakPolarHBondContact O-CD2 3.4Å; C194-Y198 WeakPolarHBondContact O-CB 3.42Å; C194-Y198 PolarHBondContact O-N 3.06Å; D196-Y198 VanDerWaalsContact C-N 3.29Å; D196-Y198 PolarHBondContact O-N 2.95Å; Y198-E200 VanDerWaalsContact C-N 3.34Å; Y198-E200 PolarHBondContact O-N 3.35Å; Y198-M201 HydrophobicContact CD2-CE 3.73Å; Y198-M201 HydrophobicContact CE2-CE 4.16Å; Y198-M201 PolarHBondContact O-N 3.4Å; Y198-V202 HydrophobicContact CD1-CG2 4.28Å; Y198-V202 HydrophobicContact CE1-CG2 3.8Å; Y198-V202 HydrophobicContact CE2-CG2 4.06Å; Y198-V202 WeakPolarHBondContact O-CG2 3.3Å; Y198-V202 PolarHBondContact O-N 2.73Å |
| 199 | N | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | -178.1 | -72 | -43.2 | 0 | 0 | 0 | 111 | I127 F195 D196 V202 V203 | I127-N199 HydrophobicContact CD1-CB 4.47Å; F195-N199 WeakPolarHBondContact CD1-ND2 3.48Å; F195-N199 WeakPolarHBondContact CE1-ND2 3.48Å; F195-N199 WeakPolarHBondContact CZ-ND2 3.38Å; F195-N199 VanDerWaalsContact O-CG 3.29Å; F195-N199 PolarHBondContact O-N 2.96Å; F195-N199 VanDerWaalsContact O-N 3.13Å; F195-N199 PolarHBondContact O-ND2 3.39Å; D196-N199 PolarHBondContact O-N 3.44Å; N199-V202 PolarHBondContact O-N 2.96Å; N199-V203 VanDerWaalsContact O-CG2 3.32Å; N199-V203 WeakPolarHBondContact O-CG2 3.45Å; N199-V203 PolarHBondContact O-N 3.32Å |
| 200 | E | 98.5 | Very high | 98.3 | Very high | 121 Ų | 121 | 51.6 Ų | 51.6 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.1 | -48.7 | 175.1 | -174.8 | 167.1 | -148.2 | 0 | 0 | 110.9 | D196 Y198 V202 V203 E204 | D196-E200 WeakPolarHBondContact O-CB 3.37Å; D196-E200 PolarHBondContact O-N 3.02Å; Y198-E200 VanDerWaalsContact C-N 3.34Å; Y198-E200 PolarHBondContact O-N 3.35Å; E200-V202 VanDerWaalsContact C-N 3.32Å; E200-V202 PolarHBondContact O-N 3.43Å; E200-V203 PolarHBondContact O-N 2.87Å; E200-V203 VanDerWaalsContact O-N 3.07Å; E200-E204 HydrophobicContact CG-CG 4.36Å; E200-E204 WeakPolarHBondContact O-CG 3.46Å; E200-E204 PolarHBondContact O-N 2.8Å |
| 201 | M | 98.5 | Very high | 98.3 | Very high | 32 Ų | 32 | 51 Ų | 51 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.1 | -42 | 177.3 | 177.8 | -172.6 | 56.5 | 0 | 0 | 113 | Y111 H179 E197 Y198 E204 S205 | Y111-M201 HydrophobicContact CE1-CE 4.33Å; H179-M201 PolarHBondContact CE1-SD 3.39Å; E197-M201 VanDerWaalsContact O-CB 3.24Å; E197-M201 WeakPolarHBondContact O-CB 3.29Å; E197-M201 PolarHBondContact O-N 3.14Å; Y198-M201 HydrophobicContact CD2-CE 3.73Å; Y198-M201 HydrophobicContact CE2-CE 4.16Å; Y198-M201 PolarHBondContact O-N 3.4Å; M201-E204 PolarHBondContact O-N 2.59Å; M201-S205 VanDerWaalsContact O-CB 3.3Å; M201-S205 WeakPolarHBondContact O-CB 3.33Å; M201-S205 PolarHBondContact O-N 3.03Å; M201-S205 PolarHBondContact O-OG 3.05Å |
| 202 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -45 | 176.7 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | A32 Y111 L125 Y198 N199 E200 E204 S205 V206 | A32-V202 HydrophobicContact CB-CG1 3.87Å; A32-V202 HydrophobicContact CB-CG2 4.44Å; Y111-V202 HydrophobicContact CD1-CG2 4.4Å; Y111-V202 HydrophobicContact CE1-CG2 3.87Å; Y111-V202 HydrophobicContact CE2-CG1 4.48Å; Y111-V202 HydrophobicContact CE2-CG2 4.33Å; L125-V202 HydrophobicContact CB-CG1 4.28Å; L125-V202 HydrophobicContact CD1-CB 4.37Å; L125-V202 HydrophobicContact CD1-CG1 4.13Å; L125-V202 HydrophobicContact CD2-CB 4.09Å; L125-V202 HydrophobicContact CD2-CG1 3.94Å; L125-V202 HydrophobicContact CG-CG1 4.34Å; Y198-V202 HydrophobicContact CD1-CG2 4.28Å; Y198-V202 HydrophobicContact CE1-CG2 3.8Å; Y198-V202 HydrophobicContact CE2-CG2 4.06Å; Y198-V202 WeakPolarHBondContact O-CG2 3.3Å; Y198-V202 PolarHBondContact O-N 2.73Å; N199-V202 PolarHBondContact O-N 2.96Å; E200-V202 VanDerWaalsContact C-N 3.32Å; E200-V202 PolarHBondContact O-N 3.43Å; V202-E204 VanDerWaalsContact C-N 3.32Å; V202-E204 PolarHBondContact O-N 3.45Å; V202-S205 PolarHBondContact O-N 3.21Å; V202-V206 HydrophobicContact CG1-CG2 4.07Å; V202-V206 WeakPolarHBondContact O-CB 3.24Å; V202-V206 VanDerWaalsContact O-CG2 3.25Å; V202-V206 WeakPolarHBondContact O-CG2 3.48Å; V202-V206 PolarHBondContact O-N 2.86Å; V202-V206 VanDerWaalsContact O-N 3.14Å |
| 203 | V | 98.7 | Very high | 98.4 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 178.7 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | L125 N199 E200 L211 I213 | L125-V203 HydrophobicContact CD2-CG2 3.78Å; N199-V203 VanDerWaalsContact O-CG2 3.32Å; N199-V203 WeakPolarHBondContact O-CG2 3.45Å; N199-V203 PolarHBondContact O-N 3.32Å; E200-V203 PolarHBondContact O-N 2.87Å; E200-V203 VanDerWaalsContact O-N 3.07Å; V203-L211 HydrophobicContact CB-CD2 4.41Å; V203-L211 HydrophobicContact CG2-CD2 4.23Å; V203-I213 HydrophobicContact CG2-CD1 3.87Å; V203-I213 HydrophobicContact CG2-CG1 4.31Å |
| 204 | E | 98.3 | Very high | 98.4 | Very high | 148 Ų | 148 | 50.3 Ų | 50.3 | 69% | 0.692 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.8 | -35 | -179.2 | -71.5 | -174.7 | 155.8 | 0 | 0 | 113.7 | E200 M201 V202 | E200-E204 HydrophobicContact CG-CG 4.36Å; E200-E204 WeakPolarHBondContact O-CG 3.46Å; E200-E204 PolarHBondContact O-N 2.8Å; M201-E204 PolarHBondContact O-N 2.59Å; V202-E204 VanDerWaalsContact C-N 3.32Å; V202-E204 PolarHBondContact O-N 3.45Å |
| 205 | S | 98.1 | Very high | 98.4 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -93 | -18.1 | -171.8 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | Y111 M201 V202 | Y111-S205 VanDerWaalsContact CE2-OG 3.24Å; Y111-S205 WeakPolarHBondContact CE2-OG 3.06Å; Y111-S205 PolarHBondContact OH-OG 3.43Å; M201-S205 VanDerWaalsContact O-CB 3.3Å; M201-S205 WeakPolarHBondContact O-CB 3.33Å; M201-S205 PolarHBondContact O-N 3.03Å; M201-S205 PolarHBondContact O-OG 3.05Å; V202-S205 PolarHBondContact O-N 3.21Å |
| 206 | V | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -94.5 | 126.2 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | Y111 M115 V123 V202 S208 R210 L211 | Y111-V206 HydrophobicContact CD2-CG2 3.92Å; Y111-V206 HydrophobicContact CE2-CG2 3.81Å; M115-V206 HydrophobicContact CE-CG1 4.09Å; M115-V206 HydrophobicContact SD-CG1 4.21Å; M115-V206 HydrophobicContact SD-CG2 3.9Å; V123-V206 HydrophobicContact CB-CG1 3.88Å; V123-V206 HydrophobicContact CG1-CG1 4.39Å; V123-V206 HydrophobicContact CG1-CG2 4.25Å; V123-V206 HydrophobicContact CG2-CG1 3.76Å; V123-V206 HydrophobicContact CG2-CG2 4.42Å; V202-V206 HydrophobicContact CG1-CG2 4.07Å; V202-V206 WeakPolarHBondContact O-CB 3.24Å; V202-V206 VanDerWaalsContact O-CG2 3.25Å; V202-V206 WeakPolarHBondContact O-CG2 3.48Å; V202-V206 PolarHBondContact O-N 2.86Å; V202-V206 VanDerWaalsContact O-N 3.14Å; V206-S208 PolarHBondContact O-N 2.75Å; V206-R210 HydrophobicContact CG1-CB 4.35Å; V206-L211 HydrophobicContact CB-CB 4.3Å; V206-L211 HydrophobicContact CB-CD1 4.28Å; V206-L211 HydrophobicContact CB-CD2 4.37Å; V206-L211 HydrophobicContact CG1-CB 3.8Å; V206-L211 HydrophobicContact CG1-CD1 4.17Å; V206-L211 HydrophobicContact CG1-CG 4.44Å |
| 207 | P | 98.2 | Very high | 97.8 | Very high | 59 Ų | 59 | 61 Ų | 61 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | trans | -53.4 | 131 | 174.2 | -26.7 | 35.2 | 0 | 0 | 0 | 111.8 | N209 R210 L211 | P207-N209 WeakPolarHBondContact CB-OD1 3.41Å; P207-N209 PolarHBondContact O-N 3.16Å; P207-N209 VanDerWaalsContact O-N 3.1Å; P207-R210 CarbonylContact O-C 3.56Å; P207-R210 WeakPolarHBondContact O-CA 3.43Å; P207-R210 WeakPolarHBondContact O-CB 3.45Å; P207-R210 PolarHBondContact O-N 3.44Å; P207-L211 PolarHBondContact O-N 2.71Å | ||
| 208 | S | 97.6 | Very high | 97.7 | Very high | 108 Ų | 108 | 59.4 Ų | 59.4 | 76% | 0.755 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -59.3 | -29.2 | -172.3 | 61.4 | 0 | 0 | 0 | 0 | 114 | V206 R210 L211 | V206-S208 PolarHBondContact O-N 2.75Å; S208-R210 PolarHBondContact O-N 2.85Å; S208-L211 PolarHBondContact O-N 3.31Å |
| 209 | N | 97.5 | Very high | 97.6 | Very high | 131 Ų | 131 | 60 Ų | 60 | 70% | 0.701 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -72.5 | -13.2 | 175 | 70.2 | -54.4 | 0 | 0 | 0 | 113.8 | P207 | P207-N209 WeakPolarHBondContact CB-OD1 3.41Å; P207-N209 PolarHBondContact O-N 3.16Å; P207-N209 VanDerWaalsContact O-N 3.1Å |
| 210 | R | 97.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 17% | 0.166 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -108.2 | 0.1 | 175.6 | -67.6 | -179.4 | 65.4 | -176.2 | 1.5 | 112.7 | Y118 P119 S121 V123 V206 P207 S208 F226 | Y118-R210 PolarHBondContact O-NH2 3.44Å; P119-R210 PolarHBondContact O-NH1 3.34Å; P119-R210 PolarHBondContact O-NH2 3.37Å; S121-R210 PolarHBondContact O-NE 2.72Å; S121-R210 PolarHBondContact O-NH2 3.18Å; V123-R210 PolarHBondContact N-O 2.75Å; V206-R210 HydrophobicContact CG1-CB 4.35Å; P207-R210 CarbonylContact O-C 3.56Å; P207-R210 WeakPolarHBondContact O-CA 3.43Å; P207-R210 WeakPolarHBondContact O-CB 3.45Å; P207-R210 PolarHBondContact O-N 3.44Å; S208-R210 PolarHBondContact O-N 2.85Å; R210-F226 WeakPolarHBondContact O-CZ 3.39Å |
| 211 | L | 98.8 | Very high | 97.6 | Very high | 24 Ų | 24 | 62 Ų | 62 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.8 | -174.8 | -176.9 | 63.1 | 0 | 0 | 0 | 111.8 | V123 L125 V203 V206 P207 S208 I213 | V123-L211 HydrophobicContact CB-CD1 4.22Å; V123-L211 HydrophobicContact CG1-CD1 4.03Å; V123-L211 WeakPolarHBondContact O-CA 3.05Å; L125-L211 HydrophobicContact CB-CD1 4.09Å; V203-L211 HydrophobicContact CB-CD2 4.41Å; V203-L211 HydrophobicContact CG2-CD2 4.23Å; V206-L211 HydrophobicContact CB-CB 4.3Å; V206-L211 HydrophobicContact CB-CD1 4.28Å; V206-L211 HydrophobicContact CB-CD2 4.37Å; V206-L211 HydrophobicContact CG1-CB 3.8Å; V206-L211 HydrophobicContact CG1-CD1 4.17Å; V206-L211 HydrophobicContact CG1-CG 4.44Å; P207-L211 PolarHBondContact O-N 2.71Å; S208-L211 PolarHBondContact O-N 3.31Å; L211-I213 HydrophobicContact CD2-CG1 4.41Å |
| 212 | L | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.7 | 160.9 | 173.4 | 67.8 | 0 | 0 | 0 | 109.3 | V123 V124 L125 H214 P222 L223 F226 | V123-L212 PolarHBondContact O-N 2.95Å; V124-L212 CarbonylContact C-O 3.56Å; V124-L212 WeakPolarHBondContact CA-O 3.49Å; V124-L212 HydrophobicContact CG1-CD2 4.33Å; V124-L212 HydrophobicContact CG2-CB 4.41Å; V124-L212 HydrophobicContact CG2-CD2 4.38Å; L125-L212 PolarHBondContact N-O 2.62Å; L212-H214 HydrophobicContact CD2-CB 4.28Å; L212-H214 HydrophobicContact CG-CB 4.28Å; L212-P222 HydrophobicContact CD1-CB 4.41Å; L212-L223 HydrophobicContact CD2-CB 4.43Å; L212-L223 HydrophobicContact CD2-CD1 3.99Å; L212-F226 HydrophobicContact CB-CB 4.3Å; L212-F226 HydrophobicContact CB-CD1 3.41Å; L212-F226 VanDerWaalsContact CB-CD1 3.41Å; L212-F226 HydrophobicContact CB-CD2 4Å; L212-F226 HydrophobicContact CB-CE1 3.5Å; L212-F226 VanDerWaalsContact CB-CE1 3.5Å; L212-F226 HydrophobicContact CB-CE2 4.12Å; L212-F226 HydrophobicContact CB-CG 3.65Å; L212-F226 HydrophobicContact CB-CZ 3.87Å; L212-F226 HydrophobicContact CD1-CB 4.33Å; L212-F226 HydrophobicContact CD2-CB 3.91Å; L212-F226 HydrophobicContact CD2-CD1 3.78Å; L212-F226 HydrophobicContact CD2-CG 4.06Å; L212-F226 HydrophobicContact CG-CB 4.41Å; L212-F226 HydrophobicContact CG-CD1 4.18Å; L212-F226 HydrophobicContact CG-CG 4.28Å |
| 213 | I | 98.8 | Very high | 97.6 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114.9 | 163.1 | -57.9 | 174.2 | 0 | 0 | 0 | 106.8 | I127 V203 L211 | I127-I213 HydrophobicContact CG2-CG2 3.71Å; V203-I213 HydrophobicContact CG2-CD1 3.87Å; V203-I213 HydrophobicContact CG2-CG1 4.31Å; L211-I213 HydrophobicContact CD2-CG1 4.41Å |
| 214 | H | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 103.5 | -176 | -165.4 | 66.8 | 0 | 0 | 0 | 109.6 | V124 L125 T126 I127 L212 D218 G219 Y237 | V124-H214 HydrophobicContact CG1-CB 3.72Å; L125-H214 PolarHBondContact O-N 3.27Å; T126-H214 VanDerWaalsContact CA-O 3.27Å; T126-H214 WeakPolarHBondContact CA-O 3.34Å; T126-H214 HydrophobicContact CG2-CB 4.43Å; I127-H214 PolarHBondContact N-O 3.4Å; L212-H214 HydrophobicContact CD2-CB 4.28Å; L212-H214 HydrophobicContact CG-CB 4.28Å; H214-D218 VanDerWaalsContact CE1-CB 3.42Å; H214-D218 WeakPolarHBondContact CE1-CB 3.33Å; H214-D218 IonicContact ND1-OD2 3.06Å; H214-G219 PolarHBondContact CE1-O 2.84Å; H214-G219 VanDerWaalsContact CE1-O 3.25Å; H214-Y237 AromaticContact NE2-CZ 3.73Å; H214-Y237 PolarHBondContact NE2-OH 3.43Å |
| 215 | K | 97.4 | Very high | 97.6 | Very high | 129 Ų | 129 | 61.1 Ų | 61.1 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 145.6 | -178.6 | -58.1 | 178.2 | 179.8 | 179.6 | 0 | 109.8 | I127 G217 D218 | I127-K215 HydrophobicContact CG2-CB 4.24Å; I127-K215 HydrophobicContact CG2-CG 3.68Å; I127-K215 WeakPolarHBondContact O-CA 3.32Å; K215-G217 PolarHBondContact O-N 3.46Å; K215-G217 VanDerWaalsContact O-N 3.09Å; K215-D218 PolarHBondContact N-OD2 2.85Å; K215-D218 VanDerWaalsContact O-CB 3.23Å; K215-D218 WeakPolarHBondContact O-CB 3.14Å; K215-D218 VanDerWaalsContact O-CG 3.31Å; K215-D218 PolarHBondContact O-N 3.47Å |
| 216 | L | 92.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 42% | 0.419 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 120.2 | 172.3 | -170.1 | 68.1 | 0 | 0 | 0 | 110 | I127 R128 | I127-L216 PolarHBondContact O-N 2.92Å; R128-L216 HydrophobicContact CG-CD2 4.1Å |
| 217 | G | 92.2 | Very high | 97.6 | Very high | 78 Ų | 78 | 61.1 Ų | 61.1 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.1 | -5.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K215 G219 | K215-G217 PolarHBondContact O-N 3.46Å; K215-G217 VanDerWaalsContact O-N 3.09Å; G217-G219 PolarHBondContact O-N 2.87Å |
| 218 | D | 96.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 65.2 Ų | 65.2 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | trans | -60.9 | -27.5 | 179.3 | -87.8 | -1.1 | 0 | 0 | 0 | 114.1 | H214 K215 P222 | H214-D218 VanDerWaalsContact CE1-CB 3.42Å; H214-D218 WeakPolarHBondContact CE1-CB 3.33Å; H214-D218 IonicContact ND1-OD2 3.06Å; K215-D218 PolarHBondContact N-OD2 2.85Å; K215-D218 VanDerWaalsContact O-CB 3.23Å; K215-D218 WeakPolarHBondContact O-CB 3.14Å; K215-D218 VanDerWaalsContact O-CG 3.31Å; K215-D218 PolarHBondContact O-N 3.47Å; D218-P222 HydrophobicContact CB-CG 3.7Å; D218-P222 WeakPolarHBondContact O-CD 3.3Å | ||
| 219 | G | 96.6 | Very high | 97.6 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | trans | 68.2 | -154.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H214 G217 Y237 | H214-G219 PolarHBondContact CE1-O 2.84Å; H214-G219 VanDerWaalsContact CE1-O 3.25Å; G217-G219 PolarHBondContact O-N 2.87Å; G219-Y237 VanDerWaalsContact C-CD2 3.42Å | ||
| 220 | W | 98.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.9 | -40.4 | -171.2 | -71.9 | 122 | 0 | 0 | 0 | 114.8 | A45 I48 L49 L223 C224 V231 P232 I235 Y237 | A45-W220 HydrophobicContact CB-CH2 3.77Å; A45-W220 HydrophobicContact CB-CZ3 3.66Å; I48-W220 HydrophobicContact CB-CH2 4.08Å; I48-W220 HydrophobicContact CD1-CH2 4.2Å; I48-W220 HydrophobicContact CD1-CZ2 4.27Å; I48-W220 HydrophobicContact CG2-CH2 3.96Å; I48-W220 HydrophobicContact CG2-CZ2 4.28Å; L49-W220 HydrophobicContact CD1-CE3 4.31Å; L49-W220 HydrophobicContact CD1-CZ3 3.79Å; L49-W220 HydrophobicContact CD2-CE3 4.25Å; L49-W220 HydrophobicContact CD2-CZ3 3.88Å; L49-W220 HydrophobicContact CG-CE3 4.39Å; L49-W220 HydrophobicContact CG-CH2 4.37Å; L49-W220 HydrophobicContact CG-CZ3 3.65Å; W220-L223 PolarHBondContact O-N 3.18Å; W220-C224 WeakPolarHBondContact O-CB 3.33Å; W220-C224 PolarHBondContact O-N 3.49Å; W220-C224 PolarHBondContact O-SG 3.27Å; W220-C224 VanDerWaalsContact O-SG 3.38Å; W220-V231 HydrophobicContact CB-CB 4.47Å; W220-V231 HydrophobicContact CB-CG1 3.72Å; W220-V231 HydrophobicContact CB-CG2 4.13Å; W220-V231 HydrophobicContact CG-CG1 4.01Å; W220-P232 HydrophobicContact CD2-CG 4.22Å; W220-P232 HydrophobicContact CE3-CG 4.27Å; W220-P232 HydrophobicContact CH2-CG 3.95Å; W220-P232 HydrophobicContact CZ2-CB 4.5Å; W220-P232 HydrophobicContact CZ2-CG 3.89Å; W220-P232 HydrophobicContact CZ3-CG 4.15Å; W220-I235 HydrophobicContact CZ2-CG2 4.36Å; W220-I235 PolarHBondContact NE1-O 2.91Å; W220-Y237 AromaticContact CD2-CD2 3.62Å; W220-Y237 HydrophobicContact CD2-CD2 3.62Å; W220-Y237 HydrophobicContact CD2-CE2 4.4Å; W220-Y237 AromaticContact CE2-CD2 3.92Å; W220-Y237 AromaticContact CE3-CD2 3.75Å; W220-Y237 HydrophobicContact CE3-CD2 3.75Å; W220-Y237 HydrophobicContact CE3-CE2 4.08Å; W220-Y237 HydrophobicContact CG-CD2 4.02Å; W220-Y237 HydrophobicContact CH2-CD2 4.45Å; W220-Y237 HydrophobicContact CZ2-CD2 4.34Å; W220-Y237 HydrophobicContact CZ3-CD2 4.17Å; W220-Y237 HydrophobicContact CZ3-CE2 4.28Å |
| 221 | E | 98.1 | Very high | 97.6 | Very high | 153 Ų | 153 | 64.8 Ų | 64.8 | 72% | 0.715 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56 | -53.5 | -164.8 | -67.2 | -178.6 | 172.1 | 0 | 0 | 114.3 | L223 K225 | E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 2.85Å; E221-K225 VanDerWaalsContact O-CB 3.23Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 PolarHBondContact O-N 3.12Å |
| 222 | P | 98.4 | Very high | 97.5 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 25% | 0.253 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 179.5 | 23.7 | -31.4 | 0 | 0 | 0 | 112.4 | L212 D218 F226 | L212-P222 HydrophobicContact CD1-CB 4.41Å; D218-P222 HydrophobicContact CB-CG 3.7Å; D218-P222 WeakPolarHBondContact O-CD 3.3Å; P222-F226 WeakPolarHBondContact O-CB 3.19Å; P222-F226 PolarHBondContact O-N 3.49Å |
| 223 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.8 | -52.4 | 178.7 | -177.7 | 63.5 | 0 | 0 | 0 | 111.4 | L42 A45 L49 V124 L212 W220 E221 K225 F226 L227 Y237 | L42-L223 HydrophobicContact CD1-CD1 4.13Å; L42-L223 HydrophobicContact CD1-CD2 3.99Å; A45-L223 HydrophobicContact CB-CD2 4.1Å; L49-L223 HydrophobicContact CD1-CD2 3.99Å; L49-L223 HydrophobicContact CD1-CG 4.26Å; V124-L223 HydrophobicContact CG2-CD1 4.08Å; L212-L223 HydrophobicContact CD2-CB 4.43Å; L212-L223 HydrophobicContact CD2-CD1 3.99Å; W220-L223 PolarHBondContact O-N 3.18Å; E221-L223 VanDerWaalsContact C-N 3.34Å; E221-L223 PolarHBondContact O-N 2.85Å; L223-K225 PolarHBondContact O-N 3.34Å; L223-F226 PolarHBondContact O-N 2.82Å; L223-L227 HydrophobicContact CD1-CD1 3.77Å; L223-L227 HydrophobicContact CD1-CG 4.12Å; L223-L227 HydrophobicContact CG-CD1 3.98Å; L223-L227 WeakPolarHBondContact O-CB 3.22Å; L223-L227 VanDerWaalsContact O-CG 3.31Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 2.96Å; L223-Y237 HydrophobicContact CD2-CE2 4.02Å |
| 224 | C | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.014 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | -179.3 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | W220 F226 L227 N228 V229 V231 | W220-C224 WeakPolarHBondContact O-CB 3.33Å; W220-C224 PolarHBondContact O-N 3.49Å; W220-C224 PolarHBondContact O-SG 3.27Å; W220-C224 VanDerWaalsContact O-SG 3.38Å; C224-F226 PolarHBondContact O-N 3.03Å; C224-L227 PolarHBondContact O-N 3.36Å; C224-N228 WeakPolarHBondContact O-CA 3.48Å; C224-N228 PolarHBondContact O-N 3.4Å; C224-V229 HydrophobicContact CB-CG2 4.17Å; C224-V229 WeakPolarHBondContact CB-O 3.35Å; C224-V229 PolarHBondContact O-N 3Å; C224-V231 HydrophobicContact CB-CG2 3.8Å |
| 225 | K | 98.5 | Very high | 97.1 | Very high | 184 Ų | 184 | 78.4 Ų | 78.4 | 80% | 0.8 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.5 | -47 | 174.5 | -179.6 | -179.9 | 179 | -179.1 | 0 | 111.4 | E221 L223 N228 | E221-K225 VanDerWaalsContact O-CB 3.23Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 PolarHBondContact O-N 3.12Å; L223-K225 PolarHBondContact O-N 3.34Å; K225-N228 PolarHBondContact O-N 3.26Å |
| 226 | F | 98.6 | Very high | 97.1 | Very high | 37 Ų | 37 | 77.3 Ų | 77.3 | 16% | 0.162 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | 179.4 | 174 | -115.6 | 0 | 0 | 0 | 112.2 | K122 V124 R210 L212 P222 L223 C224 N228 | K122-F226 HydrophobicContact CB-CE1 3.59Å; K122-F226 HydrophobicContact CB-CZ 3.7Å; K122-F226 HydrophobicContact CD-CD1 4.3Å; K122-F226 HydrophobicContact CD-CE1 3.98Å; K122-F226 HydrophobicContact CD-CE2 4.43Å; K122-F226 HydrophobicContact CD-CZ 4.04Å; K122-F226 WeakPolarHBondContact CE-O 3.5Å; K122-F226 HydrophobicContact CG-CE1 4.15Å; K122-F226 HydrophobicContact CG-CZ 3.97Å; K122-F226 PolarHBondContact NZ-O 3.21Å; V124-F226 HydrophobicContact CG2-CD1 4.31Å; V124-F226 HydrophobicContact CG2-CE1 4.01Å; R210-F226 WeakPolarHBondContact O-CZ 3.39Å; L212-F226 HydrophobicContact CB-CB 4.3Å; L212-F226 HydrophobicContact CB-CD1 3.41Å; L212-F226 VanDerWaalsContact CB-CD1 3.41Å; L212-F226 HydrophobicContact CB-CD2 4Å; L212-F226 HydrophobicContact CB-CE1 3.5Å; L212-F226 VanDerWaalsContact CB-CE1 3.5Å; L212-F226 HydrophobicContact CB-CE2 4.12Å; L212-F226 HydrophobicContact CB-CG 3.65Å; L212-F226 HydrophobicContact CB-CZ 3.87Å; L212-F226 HydrophobicContact CD1-CB 4.33Å; L212-F226 HydrophobicContact CD2-CB 3.91Å; L212-F226 HydrophobicContact CD2-CD1 3.78Å; L212-F226 HydrophobicContact CD2-CG 4.06Å; L212-F226 HydrophobicContact CG-CB 4.41Å; L212-F226 HydrophobicContact CG-CD1 4.18Å; L212-F226 HydrophobicContact CG-CG 4.28Å; P222-F226 WeakPolarHBondContact O-CB 3.19Å; P222-F226 PolarHBondContact O-N 3.49Å; L223-F226 PolarHBondContact O-N 2.82Å; C224-F226 PolarHBondContact O-N 3.03Å; F226-N228 VanDerWaalsContact C-N 3.26Å; F226-N228 PolarHBondContact O-N 2.96Å |
| 227 | L | 98.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.084 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -75.9 | -13.5 | 178.8 | -64.1 | -177.9 | 0 | 0 | 0 | 113.3 | V29 L46 L49 F50 K122 L223 C224 V229 | V29-L227 HydrophobicContact CG2-CD1 4.19Å; V29-L227 HydrophobicContact CG2-CD2 3.49Å; V29-L227 VanDerWaalsContact CG2-CD2 3.49Å; L46-L227 HydrophobicContact CD2-CD1 3.81Å; L49-L227 HydrophobicContact CD1-CD1 3.96Å; F50-L227 HydrophobicContact CE2-CD1 4.34Å; F50-L227 HydrophobicContact CZ-CD1 4.04Å; K122-L227 HydrophobicContact CB-CD2 4.22Å; K122-L227 HydrophobicContact CD-CD2 3.79Å; K122-L227 PolarHBondContact NZ-O 3.17Å; L223-L227 HydrophobicContact CD1-CD1 3.77Å; L223-L227 HydrophobicContact CD1-CG 4.12Å; L223-L227 HydrophobicContact CG-CD1 3.98Å; L223-L227 WeakPolarHBondContact O-CB 3.22Å; L223-L227 VanDerWaalsContact O-CG 3.31Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 2.96Å; C224-L227 PolarHBondContact O-N 3.36Å; L227-V229 HydrophobicContact CB-CG1 4.47Å; L227-V229 HydrophobicContact CB-CG2 4.01Å |
| 228 | N | 97.7 | Very high | 97.5 | Very high | 144 Ų | 144 | 72.8 Ų | 72.8 | 77% | 0.77 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 49.4 | -174.3 | -168.9 | 51.4 | 0 | 0 | 0 | 112.3 | C224 K225 F226 | C224-N228 WeakPolarHBondContact O-CA 3.48Å; C224-N228 PolarHBondContact O-N 3.4Å; K225-N228 PolarHBondContact O-N 3.26Å; F226-N228 VanDerWaalsContact C-N 3.26Å; F226-N228 PolarHBondContact O-N 2.96Å |
| 229 | V | 97.7 | Very high | 97.2 | Very high | 50 Ų | 50 | 75.1 Ų | 75.1 | 30% | 0.303 | 39% | 0.387 | S | S | . | . | trans | -130 | 162.9 | 177.1 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | L49 C224 L227 | L49-V229 HydrophobicContact CD1-CG2 4.25Å; L49-V229 HydrophobicContact CD2-CG2 3.92Å; C224-V229 HydrophobicContact CB-CG2 4.17Å; C224-V229 WeakPolarHBondContact CB-O 3.35Å; C224-V229 PolarHBondContact O-N 3Å; L227-V229 HydrophobicContact CB-CG1 4.47Å; L227-V229 HydrophobicContact CB-CG2 4.01Å | ||
| 230 | N | 97.9 | Very high | 96.6 | Very high | 149 Ų | 149 | 76.2 Ų | 76.2 | 80% | 0.797 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 146.1 | 176.8 | -66.3 | -39.8 | 0 | 0 | 0 | 111.1 | ||
| 231 | V | 98.2 | Very high | 95.6 | Very high | 75 Ų | 75 | 77.9 Ų | 77.9 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 130.7 | 167.7 | 174.7 | 0 | 0 | 0 | 0 | 109 | W220 C224 Y233 | W220-V231 HydrophobicContact CB-CB 4.47Å; W220-V231 HydrophobicContact CB-CG1 3.72Å; W220-V231 HydrophobicContact CB-CG2 4.13Å; W220-V231 HydrophobicContact CG-CG1 4.01Å; C224-V231 HydrophobicContact CB-CG2 3.8Å; V231-Y233 PolarHBondContact O-N 3.36Å |
| 232 | P | 97.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 72.1 Ų | 72.1 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -58 | 131.3 | 176.8 | -27.6 | 37.1 | 0 | 0 | 0 | 112.4 | I48 L49 W220 C234 I235 | I48-P232 HydrophobicContact CG2-CB 4.2Å; I48-P232 HydrophobicContact CG2-CG 3.85Å; L49-P232 HydrophobicContact CD2-CG 3.7Å; W220-P232 HydrophobicContact CD2-CG 4.22Å; W220-P232 HydrophobicContact CE3-CG 4.27Å; W220-P232 HydrophobicContact CH2-CG 3.95Å; W220-P232 HydrophobicContact CZ2-CB 4.5Å; W220-P232 HydrophobicContact CZ2-CG 3.89Å; W220-P232 HydrophobicContact CZ3-CG 4.15Å; P232-C234 PolarHBondContact O-N 2.93Å; P232-I235 HydrophobicContact CB-CB 4.02Å; P232-I235 HydrophobicContact CB-CD1 4.17Å |
| 233 | Y | 95.7 | Very high | 93.7 | Very high | 208 Ų | 208 | 73.4 Ų | 73.4 | 82% | 0.816 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 126.7 | -179.3 | -175.8 | -104.6 | 0 | 0 | 0 | 111.4 | V231 I235 | V231-Y233 PolarHBondContact O-N 3.36Å; Y233-I235 PolarHBondContact O-N 3.24Å |
| 234 | C | 94.4 | Very high | 92.7 | Very high | 103 Ų | 103 | 77.8 Ų | 77.8 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 19.1 | 176.5 | -67.6 | 0 | 0 | 0 | 0 | 116.1 | P232 | P232-C234 PolarHBondContact O-N 2.93Š|
| 235 | I | 96.9 | Very high | 91.7 | Very high | 77 Ų | 77 | 80.5 Ų | 80.5 | 40% | 0.395 | 41% | 0.411 | S | S | . | . | trans | -108.2 | 116.2 | 174.4 | -63.1 | 170.5 | 0 | 0 | 0 | 107.7 | I48 W220 P232 Y233 | I48-I235 HydrophobicContact CD1-CG2 4.15Å; I48-I235 HydrophobicContact CG2-CD1 4.36Å; W220-I235 HydrophobicContact CZ2-CG2 4.36Å; W220-I235 PolarHBondContact NE1-O 2.91Å; P232-I235 HydrophobicContact CB-CB 4.02Å; P232-I235 HydrophobicContact CB-CD1 4.17Å; Y233-I235 PolarHBondContact O-N 3.24Å | ||
| 236 | P | 96.3 | Very high | 90.9 | Very high | 106 Ų | 106 | 73.2 Ų | 73.2 | 69% | 0.688 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 153.5 | 174.8 | 28.7 | -34.3 | 0 | 0 | 0 | 110.4 | ||
| 237 | Y | 97.3 | Very high | 89.9 | Confident | 49 Ų | 49 | 74 Ų | 74 | 19% | 0.192 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 132.8 | 174.3 | -170.5 | -91.3 | 0 | 0 | 0 | 109.4 | A45 H214 G219 W220 L223 H239 | A45-Y237 HydrophobicContact CB-CD2 4.36Å; A45-Y237 HydrophobicContact CB-CE2 3.61Å; H214-Y237 AromaticContact NE2-CZ 3.73Å; H214-Y237 PolarHBondContact NE2-OH 3.43Å; G219-Y237 VanDerWaalsContact C-CD2 3.42Å; W220-Y237 AromaticContact CD2-CD2 3.62Å; W220-Y237 HydrophobicContact CD2-CD2 3.62Å; W220-Y237 HydrophobicContact CD2-CE2 4.4Å; W220-Y237 AromaticContact CE2-CD2 3.92Å; W220-Y237 AromaticContact CE3-CD2 3.75Å; W220-Y237 HydrophobicContact CE3-CD2 3.75Å; W220-Y237 HydrophobicContact CE3-CE2 4.08Å; W220-Y237 HydrophobicContact CG-CD2 4.02Å; W220-Y237 HydrophobicContact CH2-CD2 4.45Å; W220-Y237 HydrophobicContact CZ2-CD2 4.34Å; W220-Y237 HydrophobicContact CZ3-CD2 4.17Å; W220-Y237 HydrophobicContact CZ3-CE2 4.28Å; L223-Y237 HydrophobicContact CD2-CE2 4.02Å; Y237-H239 PolarHBondContact O-N 2.91Å |
| 238 | P | 96.4 | Very high | 89.2 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 132.9 | -178.5 | -26.9 | 36.1 | 0 | 0 | 0 | 112.1 | S41 M44 A45 I48 | S41-P238 WeakPolarHBondContact CB-O 3.47Å; S41-P238 PolarHBondContact OG-O 3.27Å; S41-P238 VanDerWaalsContact OG-O 3.1Å; M44-P238 HydrophobicContact CB-CB 3.73Å; M44-P238 HydrophobicContact CB-CG 3.78Å; M44-P238 HydrophobicContact SD-CB 4.37Å; A45-P238 HydrophobicContact CB-CG 4.31Å; I48-P238 HydrophobicContact CD1-CG 3.67Å |
| 239 | H | 90.4 | Very high | 88.5 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | trans | -122.8 | 100.5 | 172.5 | -168.7 | -95.8 | 0 | 0 | 0 | 107.5 | Y237 D242 | Y237-H239 PolarHBondContact O-N 2.91Å; H239-D242 WeakPolarHBondContact CE1-CB 3.29Å; H239-D242 IonicContact CE1-OD2 2.71Å | ||
| 240 | V | 85 | Confident | 87.7 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 24% | 0.242 | 39% | 0.39 | C | S | . | . | trans | -132.1 | 156.3 | -177.4 | -70.7 | 0 | 0 | 0 | 0 | 111.4 | S40 S41 M44 D242 | S40-V240 VanDerWaalsContact C-CG2 3.42Å; S41-V240 PolarHBondContact OG-N 2.81Å; S41-V240 VanDerWaalsContact OG-N 3.16Å; M44-V240 HydrophobicContact CE-CG1 4.35Å; M44-V240 HydrophobicContact SD-CB 4.14Å; M44-V240 HydrophobicContact SD-CG1 3.34Å; M44-V240 WeakPolarHBondContact SD-CG1 3.46Å; M44-V240 HydrophobicContact SD-CG2 3.78Å; V240-D242 PolarHBondContact O-N 3Å | ||
| 241 | N | 77.1 | Confident | 87.1 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 57.1 | 30.6 | -177.3 | -70.1 | -20.6 | 0 | 0 | 0 | 112.4 | R36 S40 | R36-N241 PolarHBondContact NH1-O 3.35Å; R36-N241 PolarHBondContact NH2-O 2.69Å; S40-N241 WeakPolarHBondContact CB-ND2 3.43Å; S40-N241 PolarHBondContact OG-ND2 3.25Å |
| 242 | D | 80.1 | Confident | 86.5 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 17% | 0.171 | 37% | 0.374 | C | S | . | . | trans | -57.9 | 149.4 | 168.2 | -176.1 | -111.7 | 0 | 0 | 0 | 110.2 | H239 V240 N244 E245 T246 | H239-D242 WeakPolarHBondContact CE1-CB 3.29Å; H239-D242 IonicContact CE1-OD2 2.71Å; V240-D242 PolarHBondContact O-N 3Å; D242-N244 VanDerWaalsContact C-N 3.28Å; D242-N244 PolarHBondContact O-N 2.93Å; D242-N244 VanDerWaalsContact OD1-CB 3.24Å; D242-N244 WeakPolarHBondContact OD1-CB 3.49Å; D242-N244 PolarHBondContact OD1-N 3.16Å; D242-E245 HydrophobicContact CB-CB 4.3Å; D242-E245 HydrophobicContact CB-CG 4.21Å; D242-E245 PolarHBondContact O-N 3.18Å; D242-T246 WeakPolarHBondContact O-CB 3.46Å; D242-T246 PolarHBondContact O-N 3.04Å; D242-T246 PolarHBondContact O-OG1 3.33Å | ||
| 243 | R | 75.7 | Confident | 85.9 | Confident | 66 Ų | 66 | 76 Ų | 76 | 25% | 0.249 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 179.3 | -173.8 | 176.5 | 71.7 | -170.8 | -8.2 | 110.8 | S135 Q139 T246 L247 | S135-R243 PolarHBondContact OG-NH1 3.25Å; S135-R243 VanDerWaalsContact OG-NH1 3.16Å; Q139-R243 VanDerWaalsContact OE1-CD 3.25Å; R243-T246 PolarHBondContact O-N 3.42Å; R243-L247 HydrophobicContact CG-CD1 4.35Å; R243-L247 VanDerWaalsContact O-CG 3.3Å; R243-L247 WeakPolarHBondContact O-CG 3.41Å; R243-L247 PolarHBondContact O-N 3.29Å |
| 244 | N | 77.2 | Confident | 85.5 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.7 | -44.1 | -177.5 | -58.7 | -25.8 | 0 | 0 | 0 | 111.1 | D242 T246 L247 E248 | D242-N244 VanDerWaalsContact C-N 3.28Å; D242-N244 PolarHBondContact O-N 2.93Å; D242-N244 VanDerWaalsContact OD1-CB 3.24Å; D242-N244 WeakPolarHBondContact OD1-CB 3.49Å; D242-N244 PolarHBondContact OD1-N 3.16Å; N244-T246 VanDerWaalsContact C-N 3.26Å; N244-T246 PolarHBondContact O-N 3.32Å; N244-L247 PolarHBondContact O-N 3.49Å; N244-L247 VanDerWaalsContact O-N 3.15Å; N244-E248 WeakPolarHBondContact O-CG 3.34Å; N244-E248 PolarHBondContact O-N 3.43Å |
| 245 | E | 79.5 | Confident | 85.2 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 174.8 | -71.7 | -177.5 | -169.7 | 0 | 0 | 112.3 | D242 E248 R249 | D242-E245 HydrophobicContact CB-CB 4.3Å; D242-E245 HydrophobicContact CB-CG 4.21Å; D242-E245 PolarHBondContact O-N 3.18Å; E245-E248 PolarHBondContact O-N 2.93Å; E245-R249 VanDerWaalsContact O-CG 3.31Å; E245-R249 WeakPolarHBondContact O-CG 3.37Å; E245-R249 PolarHBondContact O-N 3.37Å; E245-R249 IonicContact OE2-NH2 3.16Å; E245-R249 PolarHBondContact OE2-NH2 3.16Å |
| 246 | T | 79.7 | Confident | 84.9 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 18% | 0.184 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.6 | -43 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | T140 D242 R243 N244 R249 V250 | T140-T246 HydrophobicContact CG2-CG2 3.81Å; D242-T246 WeakPolarHBondContact O-CB 3.46Å; D242-T246 PolarHBondContact O-N 3.04Å; D242-T246 PolarHBondContact O-OG1 3.33Å; R243-T246 PolarHBondContact O-N 3.42Å; N244-T246 VanDerWaalsContact C-N 3.26Å; N244-T246 PolarHBondContact O-N 3.32Å; T246-R249 PolarHBondContact O-N 2.64Å; T246-V250 WeakPolarHBondContact O-CG2 3.35Å; T246-V250 PolarHBondContact O-N 3.02Å |
| 247 | L | 78 | Confident | 84.3 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 28% | 0.277 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.6 | -70.2 | 171 | 0 | 0 | 0 | 112.1 | R243 N244 R249 V250 D251 | R243-L247 HydrophobicContact CG-CD1 4.35Å; R243-L247 VanDerWaalsContact O-CG 3.3Å; R243-L247 WeakPolarHBondContact O-CG 3.41Å; R243-L247 PolarHBondContact O-N 3.29Å; N244-L247 PolarHBondContact O-N 3.49Å; N244-L247 VanDerWaalsContact O-N 3.15Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3Å; L247-V250 CarbonylContact O-C 3.55Å; L247-V250 WeakPolarHBondContact O-CB 3.46Å; L247-V250 PolarHBondContact O-N 3.47Å; L247-V250 VanDerWaalsContact O-N 3.14Å; L247-D251 WeakPolarHBondContact O-CB 3.23Å; L247-D251 PolarHBondContact O-N 2.85Å |
| 248 | E | 83.3 | Confident | 83.6 | Confident | 133 Ų | 133 | 73.1 Ų | 73.1 | 62% | 0.621 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | 176.6 | -74.5 | 175.9 | -178.2 | 0 | 0 | 111.9 | N244 E245 D251 L252 | N244-E248 WeakPolarHBondContact O-CG 3.34Å; N244-E248 PolarHBondContact O-N 3.43Å; E245-E248 PolarHBondContact O-N 2.93Å; E248-D251 PolarHBondContact O-N 3.25Å; E248-L252 WeakPolarHBondContact O-CB 3.08Å; E248-L252 PolarHBondContact O-N 3Å |
| 249 | R | 83.2 | Confident | 82.9 | Confident | 131 Ų | 131 | 74.4 Ų | 74.4 | 49% | 0.494 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 174 | -70.2 | 172.3 | -169.5 | 160.4 | 10 | 111.4 | E245 T246 L247 L252 L253 | E245-R249 VanDerWaalsContact O-CG 3.31Å; E245-R249 WeakPolarHBondContact O-CG 3.37Å; E245-R249 PolarHBondContact O-N 3.37Å; E245-R249 IonicContact OE2-NH2 3.16Å; E245-R249 PolarHBondContact OE2-NH2 3.16Å; T246-R249 PolarHBondContact O-N 2.64Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3Å; R249-L252 PolarHBondContact O-N 2.94Å; R249-L253 VanDerWaalsContact O-CG 3.29Å; R249-L253 WeakPolarHBondContact O-CG 3.1Å; R249-L253 PolarHBondContact O-N 3.37Å |
| 250 | V | 82.5 | Confident | 82.5 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 10% | 0.097 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 176.1 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | V152 T246 L247 L253 K254 L259 | V152-V250 HydrophobicContact CG1-CG1 3.62Å; T246-V250 WeakPolarHBondContact O-CG2 3.35Å; T246-V250 PolarHBondContact O-N 3.02Å; L247-V250 CarbonylContact O-C 3.55Å; L247-V250 WeakPolarHBondContact O-CB 3.46Å; L247-V250 PolarHBondContact O-N 3.47Å; L247-V250 VanDerWaalsContact O-N 3.14Å; V250-L253 PolarHBondContact O-N 3.05Å; V250-K254 WeakPolarHBondContact O-CG 3.23Å; V250-K254 PolarHBondContact O-N 2.68Å; V250-L259 HydrophobicContact CG1-CD1 4Å |
| 251 | D | 85 | Confident | 82.4 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 179.3 | -72.7 | -20.4 | 0 | 0 | 0 | 112 | L247 E248 L253 K254 N255 | L247-D251 WeakPolarHBondContact O-CB 3.23Å; L247-D251 PolarHBondContact O-N 2.85Å; E248-D251 PolarHBondContact O-N 3.25Å; D251-L253 VanDerWaalsContact C-N 3.34Å; D251-L253 PolarHBondContact O-N 2.9Å; D251-K254 PolarHBondContact O-N 3.23Å; D251-K254 IonicContact OD1-NZ 3.69Å; D251-K254 PolarHBondContact OD1-NZ 3.49Å; D251-N255 WeakPolarHBondContact O-CB 3.34Å; D251-N255 PolarHBondContact O-N 3.07Å; D251-N255 PolarHBondContact O-ND2 3.04Å |
| 252 | L | 86 | Confident | 82.7 | Confident | 103 Ų | 103 | 75.3 Ų | 75.3 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 169.7 | 178.3 | 62.7 | 0 | 0 | 0 | 111.3 | E248 R249 K254 N255 I256 | E248-L252 WeakPolarHBondContact O-CB 3.08Å; E248-L252 PolarHBondContact O-N 3Å; R249-L252 PolarHBondContact O-N 2.94Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 3.01Å; L252-N255 PolarHBondContact O-N 3.33Å; L252-N255 VanDerWaalsContact O-N 3.16Å; L252-I256 HydrophobicContact CD1-CG2 4.3Å; L252-I256 WeakPolarHBondContact O-CG1 3.5Å; L252-I256 PolarHBondContact O-N 3.39Å |
| 253 | L | 85.2 | Confident | 82.9 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 178.7 | -69.4 | 173.4 | 0 | 0 | 0 | 112.6 | R249 V250 D251 I256 G257 I258 L259 | R249-L253 VanDerWaalsContact O-CG 3.29Å; R249-L253 WeakPolarHBondContact O-CG 3.1Å; R249-L253 PolarHBondContact O-N 3.37Å; V250-L253 PolarHBondContact O-N 3.05Å; D251-L253 VanDerWaalsContact C-N 3.34Å; D251-L253 PolarHBondContact O-N 2.9Å; L253-I256 HydrophobicContact CD2-CD1 4.34Å; L253-G257 PolarHBondContact O-N 3.17Å; L253-I258 HydrophobicContact CB-CB 4.43Å; L253-I258 HydrophobicContact CD2-CB 4.19Å; L253-I258 HydrophobicContact CD2-CD1 3.87Å; L253-I258 HydrophobicContact CD2-CG2 4.08Å; L253-I258 PolarHBondContact O-N 3.06Å; L253-L259 HydrophobicContact CB-CB 4.33Å; L253-L259 HydrophobicContact CB-CD1 3.57Å; L253-L259 HydrophobicContact CB-CG 3.71Å; L253-L259 HydrophobicContact CD1-CD1 3.92Å; L253-L259 HydrophobicContact CD1-CG 4.34Å; L253-L259 HydrophobicContact CG-CD1 4.41Å; L253-L259 PolarHBondContact O-N 3.29Å |
| 254 | K | 86 | Confident | 83.3 | Confident | 88 Ų | 88 | 78.6 Ų | 78.6 | 38% | 0.383 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 171.5 | -66.5 | 173.6 | -166 | 152.2 | 0 | 111.2 | V250 D251 L252 I256 G257 L259 | V250-K254 WeakPolarHBondContact O-CG 3.23Å; V250-K254 PolarHBondContact O-N 2.68Å; D251-K254 PolarHBondContact O-N 3.23Å; D251-K254 IonicContact OD1-NZ 3.69Å; D251-K254 PolarHBondContact OD1-NZ 3.49Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 3.01Å; K254-I256 VanDerWaalsContact C-N 3.29Å; K254-I256 PolarHBondContact O-N 3.33Å; K254-G257 PolarHBondContact O-N 2.85Å; K254-L259 HydrophobicContact CG-CB 3.81Å; K254-L259 HydrophobicContact CG-CD1 4.48Å |
| 255 | N | 87.6 | Confident | 83.7 | Confident | 136 Ų | 136 | 77.7 Ų | 77.7 | 73% | 0.727 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.2 | -32.3 | -177.3 | -71.9 | -22.5 | 0 | 0 | 0 | 113 | D251 L252 G257 | D251-N255 WeakPolarHBondContact O-CB 3.34Å; D251-N255 PolarHBondContact O-N 3.07Å; D251-N255 PolarHBondContact O-ND2 3.04Å; L252-N255 PolarHBondContact O-N 3.33Å; L252-N255 VanDerWaalsContact O-N 3.16Å; N255-G257 VanDerWaalsContact C-N 3.32Å |
| 256 | I | 90.5 | Very high | 84 | Confident | 105 Ų | 105 | 79 Ų | 79 | 54% | 0.538 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 6.6 | 175.5 | 67.7 | 177.8 | 0 | 0 | 0 | 113.5 | L252 L253 K254 I258 | L252-I256 HydrophobicContact CD1-CG2 4.3Å; L252-I256 WeakPolarHBondContact O-CG1 3.5Å; L252-I256 PolarHBondContact O-N 3.39Å; L253-I256 HydrophobicContact CD2-CD1 4.34Å; K254-I256 VanDerWaalsContact C-N 3.29Å; K254-I256 PolarHBondContact O-N 3.33Å; I256-I258 VanDerWaalsContact C-N 3.35Å; I256-I258 HydrophobicContact CD1-CD1 3.5Å; I256-I258 VanDerWaalsContact CD1-CD1 3.5Å; I256-I258 HydrophobicContact CD1-CG1 4.07Å; I256-I258 HydrophobicContact CG1-CB 4.38Å; I256-I258 HydrophobicContact CG1-CD1 3.95Å; I256-I258 HydrophobicContact CG1-CG1 3.94Å; I256-I258 PolarHBondContact O-N 2.64Å |
| 257 | G | 85.1 | Confident | 84.3 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 66% | 0.66 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 18.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L253 K254 N255 | L253-G257 PolarHBondContact O-N 3.17Å; K254-G257 PolarHBondContact O-N 2.85Å; N255-G257 VanDerWaalsContact C-N 3.32Å |
| 258 | I | 82.4 | Confident | 84.9 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | trans | -81.4 | -38.6 | 173.3 | -69.7 | 179 | 0 | 0 | 0 | 110.8 | I159 L253 I256 | I159-I258 HydrophobicContact CD1-CG2 3.41Å; I159-I258 VanDerWaalsContact CD1-CG2 3.41Å; I159-I258 HydrophobicContact CG1-CG2 4.23Å; L253-I258 HydrophobicContact CB-CB 4.43Å; L253-I258 HydrophobicContact CD2-CB 4.19Å; L253-I258 HydrophobicContact CD2-CD1 3.87Å; L253-I258 HydrophobicContact CD2-CG2 4.08Å; L253-I258 PolarHBondContact O-N 3.06Å; I256-I258 VanDerWaalsContact C-N 3.35Å; I256-I258 HydrophobicContact CD1-CD1 3.5Å; I256-I258 VanDerWaalsContact CD1-CD1 3.5Å; I256-I258 HydrophobicContact CD1-CG1 4.07Å; I256-I258 HydrophobicContact CG1-CB 4.38Å; I256-I258 HydrophobicContact CG1-CD1 3.95Å; I256-I258 HydrophobicContact CG1-CG1 3.94Å; I256-I258 PolarHBondContact O-N 2.64Å | ||
| 259 | L | 82 | Confident | 85 | Confident | 40 Ų | 40 | 80.9 Ų | 80.9 | 21% | 0.209 | 43% | 0.43 | C | S | . | . | trans | -102.1 | 0 | 176.1 | -69.6 | 178.1 | 0 | 0 | 0 | 112.6 | V152 K155 V156 I159 V250 L253 K254 | V152-L259 HydrophobicContact CG1-CD1 3.98Å; K155-L259 HydrophobicContact CB-CD2 3.43Å; K155-L259 VanDerWaalsContact CB-CD2 3.43Å; K155-L259 HydrophobicContact CD-CD2 4.05Å; K155-L259 HydrophobicContact CG-CD2 4.42Å; K155-L259 PolarHBondContact NZ-OXT 3.12Å; V156-L259 HydrophobicContact CG2-CD1 3.91Å; V156-L259 HydrophobicContact CG2-CD2 4.02Å; I159-L259 HydrophobicContact CD1-CD2 3.68Å; I159-L259 HydrophobicContact CD1-CG 4.39Å; V250-L259 HydrophobicContact CG1-CD1 4Å; L253-L259 HydrophobicContact CB-CB 4.33Å; L253-L259 HydrophobicContact CB-CD1 3.57Å; L253-L259 HydrophobicContact CB-CG 3.71Å; L253-L259 HydrophobicContact CD1-CD1 3.92Å; L253-L259 HydrophobicContact CD1-CG 4.34Å; L253-L259 HydrophobicContact CG-CD1 4.41Å; L253-L259 PolarHBondContact O-N 3.29Å; K254-L259 HydrophobicContact CG-CB 3.81Å; K254-L259 HydrophobicContact CG-CD1 4.48Å |
Retrieved 259 of 259 residues in 340 ms
(Link to these results)